A0A077ZJ42_TRITR Loading...

Chromosome partition protein mukB

AlphaFold DB , UniProt , Accession A0A077ZJ42, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,443 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M68.9Low84.1Confident61 Ų6119.4 Ų19.430%0.312%0.12SC..  0-660-62.6-45.4-153.400114.8A3 F4 V5 L162 F1361 I1388M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 2.93Å; M1-A3 VanDerWaalsContact O-N 3.15Å; M1-F4 WeakPolarHBondContact O-CA 3.39Å; M1-F4 VanDerWaalsContact O-CB 3.24Å; M1-F4 WeakPolarHBondContact O-CB 3.31Å; M1-F4 PolarHBondContact O-N 3.47Å; M1-V5 PolarHBondContact O-N 3.2Å; M1-L162 HydrophobicContact CB-CD2 3.8Å; M1-L162 HydrophobicContact CE-CD2 3.64Å; M1-L162 HydrophobicContact CG-CD2 3.57Å; M1-L162 HydrophobicContact SD-CD2 3.61Å; M1-F1361 HydrophobicContact CE-CB 3.73Å; M1-F1361 HydrophobicContact CE-CD1 3.81Å; M1-F1361 HydrophobicContact CE-CG 4.24Å; M1-F1361 HydrophobicContact SD-CD1 3.75Å; M1-I1388 HydrophobicContact CE-CG2 4.14Å; M1-I1388 HydrophobicContact SD-CG2 4.5Å
2A74.7Confident83.8Confident26 Ų2623.9 Ų23.922%0.21514%0.142CC..Hα-helixtrans-53.3-41.4-174.500000114.4T6 F17A2-T6 WeakPolarHBondContact O-CB 3.42Å; A2-T6 PolarHBondContact O-N 3.08Å; A2-T6 PolarHBondContact O-OG1 3.35Å; A2-F17 HydrophobicContact CB-CD1 4.1Å; A2-F17 HydrophobicContact CB-CD2 4.07Å; A2-F17 HydrophobicContact CB-CE1 3.9Å; A2-F17 HydrophobicContact CB-CE2 3.87Å; A2-F17 HydrophobicContact CB-CG 4.18Å; A2-F17 HydrophobicContact CB-CZ 3.77Å
3A78.6Confident83.5Confident58 Ų5829.8 Ų29.848%0.47918%0.179SC..Hα-helixtrans-57.1-50.5172.300000111.6M1 V5 T6 A7 S45M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 2.93Å; M1-A3 VanDerWaalsContact O-N 3.15Å; A3-V5 PolarHBondContact O-N 3.14Å; A3-T6 WeakPolarHBondContact O-CB 2.83Å; A3-T6 PolarHBondContact O-N 2.9Å; A3-T6 VanDerWaalsContact O-N 3.15Å; A3-A7 PolarHBondContact O-N 3.43Å; A3-S45 WeakPolarHBondContact CA-OG 3.35Å; A3-S45 WeakPolarHBondContact CB-OG 3.4Å; A3-S45 PolarHBondContact O-OG 3.23Å
4F81.8Confident83.5Confident48 Ų4829.1 Ų29.121%0.21117%0.173CC..Hα-helixtrans-55.8-51.2179.5-157.6-66.9000112.1M1 T6 A7 L8 L47 L1359 F1361 I1388M1-F4 WeakPolarHBondContact O-CA 3.39Å; M1-F4 VanDerWaalsContact O-CB 3.24Å; M1-F4 WeakPolarHBondContact O-CB 3.31Å; M1-F4 PolarHBondContact O-N 3.47Å; F4-T6 VanDerWaalsContact C-N 3.3Å; F4-T6 PolarHBondContact O-N 3.29Å; F4-A7 PolarHBondContact O-N 2.9Å; F4-L8 HydrophobicContact CD1-CD1 3.82Å; F4-L8 HydrophobicContact CD1-CG 4.04Å; F4-L8 HydrophobicContact CE1-CD1 3.65Å; F4-L8 HydrophobicContact CE1-CD2 4.42Å; F4-L8 HydrophobicContact CE1-CG 3.89Å; F4-L8 PolarHBondContact O-N 3.09Å; F4-L47 HydrophobicContact CB-CD2 4.43Å; F4-L47 HydrophobicContact CD1-CD1 4.32Å; F4-L47 HydrophobicContact CD1-CD2 3.88Å; F4-L47 HydrophobicContact CD2-CD2 3.4Å; F4-L47 HydrophobicContact CE1-CD1 3.98Å; F4-L47 HydrophobicContact CE1-CD2 3.8Å; F4-L47 HydrophobicContact CE2-CD2 3.39Å; F4-L47 HydrophobicContact CG-CD2 3.66Å; F4-L47 HydrophobicContact CZ-CD1 4.32Å; F4-L47 HydrophobicContact CZ-CD2 3.6Å; F4-L1359 HydrophobicContact CE1-CD1 3.96Å; F4-L1359 HydrophobicContact CZ-CD1 4.03Å; F4-L1359 HydrophobicContact CZ-CD2 4.48Å; F4-F1361 AromaticContact CD1-CE1 3.44Å; F4-F1361 HydrophobicContact CD1-CE1 3.44Å; F4-F1361 VanDerWaalsContact CD1-CE1 3.44Å; F4-F1361 AromaticContact CD1-CZ 3.43Å; F4-F1361 HydrophobicContact CD1-CZ 3.43Å; F4-F1361 VanDerWaalsContact CD1-CZ 3.43Å; F4-F1361 HydrophobicContact CD2-CE1 4.17Å; F4-F1361 AromaticContact CE1-CE1 3.56Å; F4-F1361 HydrophobicContact CE1-CE1 3.56Å; F4-F1361 AromaticContact CE1-CZ 3.28Å; F4-F1361 HydrophobicContact CE1-CZ 3.28Å; F4-F1361 HydrophobicContact CE2-CE1 4.22Å; F4-F1361 AromaticContact CG-CE1 3.79Å; F4-F1361 HydrophobicContact CG-CE1 3.79Å; F4-F1361 HydrophobicContact CG-CZ 4.26Å; F4-F1361 AromaticContact CZ-CE1 3.93Å; F4-F1361 HydrophobicContact CZ-CE1 3.93Å; F4-F1361 AromaticContact CZ-CZ 3.93Å; F4-F1361 HydrophobicContact CZ-CZ 3.93Å; F4-I1388 HydrophobicContact CD2-CD1 4.22Å; F4-I1388 HydrophobicContact CE2-CD1 3.48Å; F4-I1388 VanDerWaalsContact CE2-CD1 3.48Å; F4-I1388 HydrophobicContact CZ-CD1 3.66Å
5V84.9Confident83.3Confident1 Ų127.5 Ų27.51%0.00616%0.163CC..Hα-helixtrans-62.2-39.6178.2-1770000111.3M1 A3 A7 L8 I9 L15 F17 Y155 I158 L162M1-V5 PolarHBondContact O-N 3.2Å; A3-V5 PolarHBondContact O-N 3.14Å; V5-A7 VanDerWaalsContact C-N 3.29Å; V5-A7 PolarHBondContact O-N 3.31Å; V5-L8 PolarHBondContact O-N 3.34Å; V5-I9 PolarHBondContact O-N 3.07Å; V5-L15 HydrophobicContact CG1-CD2 3.89Å; V5-F17 HydrophobicContact CB-CE1 3.92Å; V5-F17 HydrophobicContact CB-CZ 4.06Å; V5-F17 HydrophobicContact CG1-CE1 4.14Å; V5-F17 HydrophobicContact CG1-CZ 4.29Å; V5-F17 HydrophobicContact CG2-CE1 4.16Å; V5-Y155 HydrophobicContact CG1-CD2 4.26Å; V5-Y155 HydrophobicContact CG1-CE2 4.19Å; V5-I158 HydrophobicContact CG1-CG2 4.32Å; V5-I158 HydrophobicContact CG2-CG2 3.84Å; V5-L162 HydrophobicContact CG2-CD1 3.67Å
6T88.3Confident82.6Confident1 Ų132.7 Ų32.71%0.00619%0.185CC..Hα-helixtrans-64.1-35.8178.4-55.70000111.8A2 A3 F4 I9 P10 L15 L34 L63A2-T6 WeakPolarHBondContact O-CB 3.42Å; A2-T6 PolarHBondContact O-N 3.08Å; A2-T6 PolarHBondContact O-OG1 3.35Å; A3-T6 WeakPolarHBondContact O-CB 2.83Å; A3-T6 PolarHBondContact O-N 2.9Å; A3-T6 VanDerWaalsContact O-N 3.15Å; F4-T6 VanDerWaalsContact C-N 3.3Å; F4-T6 PolarHBondContact O-N 3.29Å; T6-I9 CarbonylContact O-C 3.57Å; T6-P10 WeakPolarHBondContact O-CA 3.34Å; T6-L15 HydrophobicContact CG2-CD1 3.87Å; T6-L34 HydrophobicContact CG2-CD1 4.23Å; T6-L34 HydrophobicContact CG2-CD2 3.96Å; T6-L34 WeakPolarHBondContact OG1-CD1 3.4Å; T6-L63 HydrophobicContact CG2-CD1 3.92Å; T6-L63 HydrophobicContact CG2-CD2 4.01Å
7A90.6Very high82Confident0 Ų031.6 Ų31.60%018%0.178CC..Hα-helixtrans-71.9-39.4174.900000112A3 F4 V5 L47 Y131A3-A7 PolarHBondContact O-N 3.43Å; F4-A7 PolarHBondContact O-N 2.9Å; V5-A7 VanDerWaalsContact C-N 3.29Å; V5-A7 PolarHBondContact O-N 3.31Å; A7-L47 HydrophobicContact CB-CD1 3.79Å; A7-L47 HydrophobicContact CB-CD2 4.38Å; A7-L47 HydrophobicContact CB-CG 3.64Å; A7-Y131 WeakPolarHBondContact O-CE1 3.42Å; A7-Y131 PolarHBondContact O-OH 3.17Å
8L89.5Confident80.9Confident1 Ų139.7 Ų39.71%0.00521%0.205CC..Hα-helixtrans-68.6-40.5175.3-76.4-178.6000113.1F4 V5 L47 H132 M135 I140 I141 F154 I158 L1359 F1361F4-L8 HydrophobicContact CD1-CD1 3.82Å; F4-L8 HydrophobicContact CD1-CG 4.04Å; F4-L8 HydrophobicContact CE1-CD1 3.65Å; F4-L8 HydrophobicContact CE1-CD2 4.42Å; F4-L8 HydrophobicContact CE1-CG 3.89Å; F4-L8 PolarHBondContact O-N 3.09Å; V5-L8 PolarHBondContact O-N 3.34Å; L8-L47 HydrophobicContact CD2-CD1 3.7Å; L8-L47 HydrophobicContact CG-CD1 3.83Å; L8-H132 PolarHBondContact O-CD2 3.02Å; L8-H132 PolarHBondContact O-NE2 3.46Å; L8-M135 HydrophobicContact CD2-CE 3.57Å; L8-I140 HydrophobicContact CD2-CG2 4.42Å; L8-I141 HydrophobicContact CD2-CG2 4.16Å; L8-F154 HydrophobicContact CB-CE1 4.46Å; L8-F154 HydrophobicContact CD1-CZ 4.44Å; L8-I158 HydrophobicContact CD1-CD1 4.21Å; L8-L1359 HydrophobicContact CD1-CD1 4.45Å; L8-L1359 HydrophobicContact CD2-CD1 4.49Å; L8-F1361 HydrophobicContact CD1-CE2 4.46Å; L8-F1361 HydrophobicContact CD1-CZ 4.2Å
9I90.4Very high79.6Confident0 Ų042.4 Ų42.40%022%0.22CC..  trans-134.180.6-172.1-48.8178.1000108.4V5 T6 D11 L14 L15 F154 Y155V5-I9 PolarHBondContact O-N 3.07Å; T6-I9 CarbonylContact O-C 3.57Å; I9-D11 HydrophobicContact CG2-CB 4.05Å; I9-D11 PolarHBondContact O-N 3.29Å; I9-L14 HydrophobicContact CG2-CD1 4.17Å; I9-L15 WeakPolarHBondContact O-CD1 3.49Å; I9-L15 WeakPolarHBondContact O-CD2 3.35Å; I9-F154 HydrophobicContact CD1-CD1 3.35Å; I9-F154 HydrophobicContact CD1-CE1 3.84Å; I9-F154 HydrophobicContact CD1-CG 4.17Å; I9-F154 HydrophobicContact CG1-CD1 3.66Å; I9-F154 HydrophobicContact CG1-CE1 3.81Å; I9-Y155 VanDerWaalsContact CD1-CA 3.48Å; I9-Y155 HydrophobicContact CD1-CD2 4.25Å
10P90.1Very high78.1Confident3 Ų343.4 Ų43.42%0.01923%0.228CC..  trans-75.148179.330.3-34.5000112.8T6 V61 I75 P77 I128 Y131T6-P10 WeakPolarHBondContact O-CA 3.34Å; P10-V61 HydrophobicContact CB-CG1 4.16Å; P10-V61 HydrophobicContact CB-CG2 3.86Å; P10-V61 HydrophobicContact CG-CG2 4.35Å; P10-I75 HydrophobicContact CB-CG2 3.75Å; P10-P77 HydrophobicContact CG-CB 4.24Å; P10-P77 HydrophobicContact CG-CG 4.46Å; P10-I128 HydrophobicContact CG-CG2 4.28Å; P10-I128 VanDerWaalsContact O-CD1 3.22Å; P10-I128 WeakPolarHBondContact O-CD1 3.28Å; P10-Y131 HydrophobicContact CG-CD1 3.75Å; P10-Y131 HydrophobicContact CG-CE1 3.78Å
11D87.8Confident76.5Confident14 Ų1447 Ų478%0.07525%0.252CS..  trans-114.5106.3-177.9-165.5-27.3000110.7I9 T13 L14 L15 I128 R151I9-D11 HydrophobicContact CG2-CB 4.05Å; I9-D11 PolarHBondContact O-N 3.29Å; D11-T13 PolarHBondContact O-N 3.19Å; D11-T13 VanDerWaalsContact O-N 3.12Å; D11-T13 WeakPolarHBondContact OD1-CB 3.39Å; D11-T13 PolarHBondContact OD1-N 3.38Å; D11-T13 VanDerWaalsContact OD1-N 3.1Å; D11-T13 PolarHBondContact OD1-OG1 3.29Å; D11-L14 HydrophobicContact CB-CD1 4.26Å; D11-L14 HydrophobicContact CB-CG 4.49Å; D11-L14 PolarHBondContact O-N 3.25Å; D11-L15 WeakPolarHBondContact O-CG 3.34Å; D11-L15 PolarHBondContact O-N 3.28Å; D11-I128 HydrophobicContact CB-CD1 4.13Å; D11-R151 IonicContact OD2-NE 3.81Å; D11-R151 PolarHBondContact OD2-NE 3.25Å; D11-R151 VanDerWaalsContact OD2-NE 3.1Å
12L80.3Confident74.9Confident74 Ų7449.6 Ų49.639%0.38726%0.263SS..THydrogen-bonded Turntrans-59.9-23.8-178-75.6170.5000114.2L14 L34 V73 I75L12-L14 PolarHBondContact O-N 3.47Å; L12-L34 HydrophobicContact CD2-CD2 4.24Å; L12-V73 VanDerWaalsContact CD1-O 3.31Å; L12-V73 WeakPolarHBondContact CD1-O 3.4Å; L12-V73 HydrophobicContact CD2-CB 4.18Å; L12-I75 HydrophobicContact CD1-CD1 4.24Å; L12-I75 HydrophobicContact CD1-CG1 4.27Å; L12-I75 HydrophobicContact CD2-CD1 3.5Å; L12-I75 VanDerWaalsContact CD2-CD1 3.5Å; L12-I75 HydrophobicContact CD2-CG1 4.2Å; L12-I75 HydrophobicContact CG-CD1 3.56Å; L12-I75 HydrophobicContact CG-CG1 4.13Å
13T80.2Confident73.3Confident101 Ų10154.3 Ų54.362%0.6230%0.302SS*.THydrogen-bonded Turntrans-72.8-15.2179.166.10000112.7D11 H16D11-T13 PolarHBondContact O-N 3.19Å; D11-T13 VanDerWaalsContact O-N 3.12Å; D11-T13 WeakPolarHBondContact OD1-CB 3.39Å; D11-T13 PolarHBondContact OD1-N 3.38Å; D11-T13 VanDerWaalsContact OD1-N 3.1Å; D11-T13 PolarHBondContact OD1-OG1 3.29Å; T13-H16 PolarHBondContact O-NE2 3.42Å
14L82.5Confident71.4Confident20 Ų2054.6 Ų54.611%0.10531%0.311CS..THydrogen-bonded Turntrans-112-29-178-61.6175.1000112.6I9 D11 L12 H16 R151 Y155I9-L14 HydrophobicContact CG2-CD1 4.17Å; D11-L14 HydrophobicContact CB-CD1 4.26Å; D11-L14 HydrophobicContact CB-CG 4.49Å; D11-L14 PolarHBondContact O-N 3.25Å; L12-L14 PolarHBondContact O-N 3.47Å; L14-H16 PolarHBondContact O-N 3.07Å; L14-R151 HydrophobicContact CD1-CB 3.88Å; L14-Y155 HydrophobicContact CB-CD1 4.19Å; L14-Y155 HydrophobicContact CB-CD2 3.95Å; L14-Y155 HydrophobicContact CB-CE2 4.42Å; L14-Y155 HydrophobicContact CB-CG 3.83Å; L14-Y155 HydrophobicContact CD1-CG 4.46Å; L14-Y155 HydrophobicContact CD2-CD1 4.49Å; L14-Y155 WeakPolarHBondContact O-CE1 3.13Å; L14-Y155 WeakPolarHBondContact O-CE2 3.43Å; L14-Y155 PolarHBondContact O-OH 3.11Å; L14-Y155 VanDerWaalsContact O-OH 3.08Å
15L80.7Confident69.2Low4 Ų454.8 Ų54.82%0.02132%0.322CS..  trans-71.867.1-172.9-67.3171.3000114.5V5 T6 I9 D11 F17 L34 I75V5-L15 HydrophobicContact CG1-CD2 3.89Å; T6-L15 HydrophobicContact CG2-CD1 3.87Å; I9-L15 WeakPolarHBondContact O-CD1 3.49Å; I9-L15 WeakPolarHBondContact O-CD2 3.35Å; D11-L15 WeakPolarHBondContact O-CG 3.34Å; D11-L15 PolarHBondContact O-N 3.28Å; L15-F17 HydrophobicContact CB-CE2 4.17Å; L15-F17 HydrophobicContact CD2-CE2 4.19Å; L15-F17 HydrophobicContact CD2-CZ 3.75Å; L15-L34 HydrophobicContact CD1-CD2 4.18Å; L15-I75 HydrophobicContact CD1-CD1 4.37Å
16H73.1Confident66.9Low111 Ų11160.7 Ų60.751%0.51436%0.358SS..  trans-102.2133.2170.7-55.9-57.6000109.2T13 L14 Y155T13-H16 PolarHBondContact O-NE2 3.42Å; L14-H16 PolarHBondContact O-N 3.07Å; H16-Y155 PolarHBondContact O-OH 3.24Å
17F71.2Confident64.9Low14 Ų1466.2 Ų66.26%0.06140%0.397CS..  trans-130.199.4-174.3-65.9-72000110.5A2 V5 L15 N19 D31 L34A2-F17 HydrophobicContact CB-CD1 4.1Å; A2-F17 HydrophobicContact CB-CD2 4.07Å; A2-F17 HydrophobicContact CB-CE1 3.9Å; A2-F17 HydrophobicContact CB-CE2 3.87Å; A2-F17 HydrophobicContact CB-CG 4.18Å; A2-F17 HydrophobicContact CB-CZ 3.77Å; V5-F17 HydrophobicContact CB-CE1 3.92Å; V5-F17 HydrophobicContact CB-CZ 4.06Å; V5-F17 HydrophobicContact CG1-CE1 4.14Å; V5-F17 HydrophobicContact CG1-CZ 4.29Å; V5-F17 HydrophobicContact CG2-CE1 4.16Å; L15-F17 HydrophobicContact CB-CE2 4.17Å; L15-F17 HydrophobicContact CD2-CE2 4.19Å; L15-F17 HydrophobicContact CD2-CZ 3.75Å; F17-N19 PolarHBondContact O-N 3.05Å; F17-D31 PolarHBondContact N-OD2 3.08Å; F17-L34 HydrophobicContact CE2-CD1 4.3Å
18R62.9Low62.5Low178 Ų17869.9 Ų69.967%0.67244%0.435SS*.  trans-59.7137.6177.3-50.7179.4-171-163.9-0.2110.1T20 E159 Y163R18-T20 PolarHBondContact O-N 3.35Å; R18-E159 IonicContact NE-OE1 3.1Å; R18-E159 IonicContact NH2-OE1 3.12Å; R18-Y163 HydrophobicContact CB-CE1 4.49Å; R18-Y163 WeakPolarHBondContact CB-OH 3.3Å; R18-Y163 PolarHBondContact N-OH 3.46Å; R18-Y163 PolarHBondContact O-OH 3.42Å; R18-Y163 VanDerWaalsContact O-OH 3.13Å
19N55.7Low60.1Low91 Ų9173.6 Ų73.649%0.48746%0.46SS..  trans-69125.5169.7-80.6-15.3000108.8F17 T21F17-N19 PolarHBondContact O-N 3.05Å; N19-T21 VanDerWaalsContact C-N 3.33Å; N19-T21 PolarHBondContact O-N 3.28Å
20T50.9Low58.1Low61 Ų6183.5 Ų83.537%0.37450%0.498SS..THydrogen-bonded Turntrans-72.7-21.7-175.241.60000113.5R18 Y163R18-T20 PolarHBondContact O-N 3.35Å; T20-Y163 HydrophobicContact CG2-CD1 4.08Å; T20-Y163 HydrophobicContact CG2-CE1 3.69Å
21T44Very low56.3Low121 Ų12186 Ų8674%0.74251%0.511SS*.THydrogen-bonded Turntrans-92.63.3-17048.20000116.4N19N19-T21 VanDerWaalsContact C-N 3.33Å; N19-T21 PolarHBondContact O-N 3.28Å
22E35.6Very low54.8Low114 Ų11491.4 Ų91.453%0.53353%0.534SS..  trans-137.581-175.2-67.1-178.4173.700112.7G24 A25E22-G24 PolarHBondContact O-N 2.72Å; E22-A25 HydrophobicContact CB-CB 3.97Å; E22-A25 PolarHBondContact O-N 3.25Å; E22-A25 WeakPolarHBondContact OE2-CB 3.38Å
23A40.3Very low54.2Low125 Ų12588.5 Ų88.5100%1.03352%0.521SS*.THydrogen-bonded Turntrans-65.813.2165.400000113.8
24G39.4Very low53.9Low65 Ų6584.2 Ų84.267%0.6750%0.495SS*.THydrogen-bonded Turntrans-133.17.9179.700000115.3E22 T26E22-G24 PolarHBondContact O-N 2.72Å; G24-T26 PolarHBondContact O-N 3.3Å
25A35.5Very low53.6Low52 Ų5285.3 Ų85.343%0.4350%0.499SS..  trans-74.793.7179.800000111.3E22E22-A25 HydrophobicContact CB-CB 3.97Å; E22-A25 PolarHBondContact O-N 3.25Å; E22-A25 WeakPolarHBondContact OE2-CB 3.38Å
26T36.1Very low53.2Low124 Ų12487.3 Ų87.376%0.76152%0.521SS*.  trans-48.2144.2163.846.80000111G24 G28G24-T26 PolarHBondContact O-N 3.3Å; T26-G28 PolarHBondContact O-N 3.45Å
27S45.9Very low53.2Low118 Ų11886.7 Ų86.783%0.82552%0.516SS*.THydrogen-bonded Turntrans-42.32.1-165.2-46.80000120.9
28G40.1Very low53.5Low77 Ų7787.2 Ų87.279%0.79452%0.52SS*.THydrogen-bonded Turntrans-83.1-24.417900000115.7T26 R30T26-G28 PolarHBondContact O-N 3.45Å; G28-R30 VanDerWaalsContact C-N 3.27Å; G28-R30 PolarHBondContact O-N 3.02Å; G28-R30 VanDerWaalsContact O-N 3.12Å
29S39.4Very low54.1Low78 Ų7887 Ų8755%0.54552%0.524SS..  trans-88.762.4174.9-164.40000110.5D31S29-D31 PolarHBondContact O-N 2.97Å
30R47.7Very low55Low209 Ų20986.7 Ų86.779%0.78953%0.534SS*.  trans-64.9102.6170.5-90.6-176.9165.8179.1-3.9107.9G28 K32G28-R30 VanDerWaalsContact C-N 3.27Å; G28-R30 PolarHBondContact O-N 3.02Å; G28-R30 VanDerWaalsContact O-N 3.12Å; R30-K32 PolarHBondContact O-N 3.35Å; R30-K32 VanDerWaalsContact O-N 3.13Å
31D52.1Low56.7Low56 Ų5685.7 Ų85.730%0.29954%0.535SS..  trans-38.7120.6166.8178.227.7000108.4F17 S29 G33F17-D31 PolarHBondContact N-OD2 3.08Å; S29-D31 PolarHBondContact O-N 2.97Å; D31-G33 PolarHBondContact O-N 3.36Å; D31-G33 PolarHBondContact OD1-N 3.36Å
32K57.6Low58.8Low127 Ų12781.3 Ų81.355%0.55251%0.508SS*.  trans-7217.5179.4-71.6179.5-178.5176.80111.3R30 H35 G36R30-K32 PolarHBondContact O-N 3.35Å; R30-K32 VanDerWaalsContact O-N 3.13Å; K32-H35 WeakPolarHBondContact O-CB 3.35Å; K32-G36 PolarHBondContact O-N 2.87Å
33G67.8Low61.3Low12 Ų1277.5 Ų77.512%0.12449%0.494CS..Hα-helixtrans57-155.1-177.400000112.1D31 H35 G36D31-G33 PolarHBondContact O-N 3.36Å; D31-G33 PolarHBondContact OD1-N 3.36Å; G33-H35 PolarHBondContact O-N 3.2Å; G33-H35 VanDerWaalsContact O-N 3.15Å; G33-G36 PolarHBondContact O-N 3.09Å; G33-G36 VanDerWaalsContact O-N 3.11Å
34L74.1Confident63.8Low12 Ų1273.5 Ų73.56%0.06345%0.452CS..Hα-helixtrans-53.9-35.1175.5-166.970.3000112.4T6 L12 L15 F17 G36 K37 L38 L63 V73 I75T6-L34 HydrophobicContact CG2-CD1 4.23Å; T6-L34 HydrophobicContact CG2-CD2 3.96Å; T6-L34 WeakPolarHBondContact OG1-CD1 3.4Å; L12-L34 HydrophobicContact CD2-CD2 4.24Å; L15-L34 HydrophobicContact CD1-CD2 4.18Å; F17-L34 HydrophobicContact CE2-CD1 4.3Å; L34-G36 VanDerWaalsContact C-N 3.33Å; L34-G36 PolarHBondContact O-N 2.59Å; L34-K37 PolarHBondContact O-N 3.29Å; L34-L38 HydrophobicContact CG-CD1 4.17Å; L34-L38 WeakPolarHBondContact O-CG 3Å; L34-L38 PolarHBondContact O-N 3.02Å; L34-L63 HydrophobicContact CD1-CD1 4.44Å; L34-L63 HydrophobicContact CD2-CD1 4.23Å; L34-L63 HydrophobicContact CD2-CD2 3.86Å; L34-V73 HydrophobicContact CD2-CG1 4.19Å; L34-I75 HydrophobicContact CD2-CD1 3.91Å
35H75.1Confident66.2Low43 Ų4370.7 Ų70.720%0.19942%0.423CS..Hα-helixtrans-57.8-42.7178.9179.8-81.3000112.7K32 G33 K37 L38 Q65 R71 V73K32-H35 WeakPolarHBondContact O-CB 3.35Å; G33-H35 PolarHBondContact O-N 3.2Å; G33-H35 VanDerWaalsContact O-N 3.15Å; H35-K37 VanDerWaalsContact C-N 3.28Å; H35-K37 PolarHBondContact O-N 3.19Å; H35-L38 PolarHBondContact O-N 2.85Å; H35-Q65 PolarHBondContact O-NE2 3.13Å; H35-R71 HydrophobicContact CB-CB 4.46Å; H35-R71 VanDerWaalsContact CD2-CA 3.48Å; H35-R71 WeakPolarHBondContact CD2-CA 3.37Å; H35-V73 HydrophobicContact CB-CG2 3.76Å
36G72.2Confident68.8Low45 Ų4570.4 Ų70.446%0.46441%0.413SS..Hα-helixtrans-69.9-21.5-179.800000114.8K32 G33 L34K32-G36 PolarHBondContact O-N 2.87Å; G33-G36 PolarHBondContact O-N 3.09Å; G33-G36 VanDerWaalsContact O-N 3.11Å; L34-G36 VanDerWaalsContact C-N 3.33Å; L34-G36 PolarHBondContact O-N 2.59Å
37K73.4Confident71.4Confident98 Ų9865 Ų6543%0.42638%0.379SS..Hα-helixtrans-92.1-6.9-178.4-60.9-172.5-178-172.30113.1L34 H35L34-K37 PolarHBondContact O-N 3.29Å; H35-K37 VanDerWaalsContact C-N 3.28Å; H35-K37 PolarHBondContact O-N 3.19Å
38L76.8Confident73.5Confident26 Ų2662.9 Ų62.914%0.13636%0.358CS..PPolyproline II helixtrans-96.7142.7-179.5-67.1170.2000111.4L34 H35 C43 L63 Q65 V73L34-L38 HydrophobicContact CG-CD1 4.17Å; L34-L38 WeakPolarHBondContact O-CG 3Å; L34-L38 PolarHBondContact O-N 3.02Å; H35-L38 PolarHBondContact O-N 2.85Å; L38-C43 HydrophobicContact CD2-CB 3.79Å; L38-L63 HydrophobicContact CD1-CB 3.95Å; L38-L63 HydrophobicContact CD2-CB 4Å; L38-L63 HydrophobicContact CD2-CD1 3.93Å; L38-Q65 HydrophobicContact CB-CG 4.3Å; L38-Q65 PolarHBondContact O-NE2 3.25Å; L38-V73 HydrophobicContact CD1-CB 4.37Å; L38-V73 HydrophobicContact CD1-CG1 3.54Å; L38-V73 HydrophobicContact CD1-CG2 3.83Å
39K75.9Confident75.8Confident174 Ų17460.2 Ų60.276%0.75733%0.327SS*.PPolyproline II helixtrans-81.9153.6166.1-165176.7-179.6-178.90109.2G41K39-G41 PolarHBondContact O-N 3.33Å
40A76.1Confident78.1Confident84 Ų8460.6 Ų60.669%0.69432%0.322SS*.SBendtrans-58.2126.7170.500000110.1
41G84.7Confident80Confident39 Ų3950.9 Ų50.940%0.40229%0.286SS..SBendtrans126-169.4-176.200000113.5K39 Q64K39-G41 PolarHBondContact O-N 3.33Å; G41-Q64 VanDerWaalsContact O-CG 3.27Å; G41-Q64 WeakPolarHBondContact O-CG 3.44Å
42V88.2Confident81.6Confident30 Ų3051 Ų5118%0.18229%0.291CS..EExtended strand (participates in β ladder)trans-83.5128.4174.5-179.40000109.1Y44 R62 Q64 V104 P106V42-Y44 HydrophobicContact CG1-CD2 4.2Å; V42-Y44 HydrophobicContact CG1-CE2 3.54Å; V42-R62 HydrophobicContact CG1-CG 3.83Å; V42-Q64 HydrophobicContact CG2-CG 4.23Å; V42-V104 HydrophobicContact CB-CG1 4.42Å; V42-V104 HydrophobicContact CG1-CG1 4.32Å; V42-P106 HydrophobicContact CG2-CB 4.49Å
43C89.5Confident82.9Confident33 Ų3350 Ų5022%0.22328%0.284CS..EExtended strand (participates in β ladder)trans-122.7148.9171.1-65.80000109.1L38 L63L38-C43 HydrophobicContact CD2-CB 3.79Å; C43-L63 HydrophobicContact CB-CB 4.29Å; C43-L63 PolarHBondContact N-O 3.33Å; C43-L63 PolarHBondContact O-N 3.49Å
44Y91.4Very high83.8Confident41 Ų4157.4 Ų57.416%0.16132%0.315CS..EExtended strand (participates in β ladder)trans-119.2139.4173.9-68.6-83.5000110.1V42 V61 R62 F78 V93 V104 L105 P106 L107 L110V42-Y44 HydrophobicContact CG1-CD2 4.2Å; V42-Y44 HydrophobicContact CG1-CE2 3.54Å; Y44-V61 WeakPolarHBondContact CA-O 3.37Å; Y44-R62 HydrophobicContact CD1-CB 4Å; Y44-R62 HydrophobicContact CD1-CG 4.26Å; Y44-R62 HydrophobicContact CE1-CB 3.65Å; Y44-R62 HydrophobicContact CE1-CG 3.65Å; Y44-F78 AromaticContact CD1-CE1 3.69Å; Y44-F78 HydrophobicContact CD1-CE1 3.69Å; Y44-F78 AromaticContact CD1-CZ 3.86Å; Y44-F78 HydrophobicContact CD1-CZ 3.86Å; Y44-F78 AromaticContact CE1-CE1 3.89Å; Y44-F78 HydrophobicContact CE1-CE1 3.89Å; Y44-F78 HydrophobicContact CE1-CZ 4.17Å; Y44-V93 HydrophobicContact CD1-CG1 4.35Å; Y44-V93 HydrophobicContact CD2-CB 3.82Å; Y44-V93 HydrophobicContact CD2-CG1 3.88Å; Y44-V93 HydrophobicContact CD2-CG2 4.5Å; Y44-V93 HydrophobicContact CE2-CB 4.09Å; Y44-V93 HydrophobicContact CE2-CG1 4.16Å; Y44-V93 HydrophobicContact CG-CB 4.36Å; Y44-V93 HydrophobicContact CG-CG1 3.98Å; Y44-V104 HydrophobicContact CD2-CG1 3.7Å; Y44-V104 HydrophobicContact CE2-CG1 3.6Å; Y44-L105 WeakPolarHBondContact CE2-O 3.33Å; Y44-L105 PolarHBondContact OH-O 3.25Å; Y44-P106 VanDerWaalsContact OH-C 3.27Å; Y44-L107 HydrophobicContact CE1-CD1 4.05Å; Y44-L107 VanDerWaalsContact OH-CA 3.26Å; Y44-L107 WeakPolarHBondContact OH-CA 3.44Å; Y44-L107 PolarHBondContact OH-N 3.26Å; Y44-L107 VanDerWaalsContact OH-N 3.11Å; Y44-L110 HydrophobicContact CE1-CD2 3.98Å
45S90.7Very high84.4Confident7 Ų761.1 Ų61.15%0.04933%0.332CS..EExtended strand (participates in β ladder)trans-113.6126.7158.7-171.20000108.2A3 G60 V61A3-S45 WeakPolarHBondContact CA-OG 3.35Å; A3-S45 WeakPolarHBondContact CB-OG 3.4Å; A3-S45 PolarHBondContact O-OG 3.23Å; S45-G60 CarbonylContact O-C 3.57Å; S45-G60 WeakPolarHBondContact O-CA 3.35Å; S45-V61 PolarHBondContact N-O 3.24Å; S45-V61 PolarHBondContact O-N 3.36Å
46M91.3Very high85.2Confident45 Ų4560.2 Ų60.222%0.22233%0.326CS..EExtended strand (participates in β ladder)trans-136.5144.5-177.2-61.9-175.6-69.400110.6V58 V59 F78 P89 V93M46-V58 HydrophobicContact CB-CG1 4.13Å; M46-V58 HydrophobicContact SD-CG1 4.23Å; M46-V59 CarbonylContact C-O 3.58Å; M46-V59 WeakPolarHBondContact CA-O 3.49Å; M46-F78 HydrophobicContact CG-CZ 3.97Å; M46-F78 HydrophobicContact SD-CE2 4.23Å; M46-F78 HydrophobicContact SD-CZ 3.86Å; M46-P89 HydrophobicContact CE-CB 4.15Å; M46-V93 HydrophobicContact CE-CB 4.18Å; M46-V93 HydrophobicContact CE-CG1 3.39Å; M46-V93 HydrophobicContact CE-CG2 3.67Å; M46-V93 HydrophobicContact SD-CG1 3.7Å
47L89.1Confident86.2Confident11 Ų1158.2 Ų58.26%0.05831%0.305CS..EExtended strand (participates in β ladder)trans-114118.5170.4-59.4174000107.5F4 A7 L8 T49 V58 V59F4-L47 HydrophobicContact CB-CD2 4.43Å; F4-L47 HydrophobicContact CD1-CD1 4.32Å; F4-L47 HydrophobicContact CD1-CD2 3.88Å; F4-L47 HydrophobicContact CD2-CD2 3.4Å; F4-L47 HydrophobicContact CE1-CD1 3.98Å; F4-L47 HydrophobicContact CE1-CD2 3.8Å; F4-L47 HydrophobicContact CE2-CD2 3.39Å; F4-L47 HydrophobicContact CG-CD2 3.66Å; F4-L47 HydrophobicContact CZ-CD1 4.32Å; F4-L47 HydrophobicContact CZ-CD2 3.6Å; A7-L47 HydrophobicContact CB-CD1 3.79Å; A7-L47 HydrophobicContact CB-CD2 4.38Å; A7-L47 HydrophobicContact CB-CG 3.64Å; L8-L47 HydrophobicContact CD2-CD1 3.7Å; L8-L47 HydrophobicContact CG-CD1 3.83Å; L47-T49 HydrophobicContact CB-CG2 4.16Å; L47-V58 CarbonylContact O-C 3.46Å; L47-V58 VanDerWaalsContact O-CA 3.31Å; L47-V58 WeakPolarHBondContact O-CA 3.28Å; L47-V59 HydrophobicContact CB-CG2 3.85Å; L47-V59 HydrophobicContact CD1-CG2 4.27Å; L47-V59 HydrophobicContact CG-CG2 4.47Å; L47-V59 PolarHBondContact N-O 3.19Å; L47-V59 PolarHBondContact O-N 3.38Å
48D90.7Very high87.2Confident73 Ų7353.5 Ų53.539%0.3929%0.285SS..EExtended strand (participates in β ladder)trans-93.1114.8171-165.6-1.1000107.4R56 V58 P89D48-R56 WeakPolarHBondContact OD1-CG 3.4Å; D48-R56 IonicContact OD1-CZ 2.85Å; D48-R56 IonicContact OD1-NE 3.89Å; D48-R56 PolarHBondContact OD1-NE 3.19Å; D48-R56 IonicContact OD1-NH2 3.24Å; D48-R56 IonicContact OD2-CZ 3.07Å; D48-R56 IonicContact OD2-NE 3.76Å; D48-R56 PolarHBondContact OD2-NE 3.02Å; D48-R56 IonicContact OD2-NH2 3.5Å; D48-R56 PolarHBondContact OD2-NH2 3.35Å; D48-V58 HydrophobicContact CB-CG2 4.4Å; D48-P89 HydrophobicContact CB-CG 4.04Å; D48-P89 WeakPolarHBondContact OD2-CG 3.49Å
49T88.1Confident88Confident21 Ų2152.3 Ų52.313%0.12928%0.278CS..EExtended strand (participates in β ladder)trans-126143.7-170.558.90000110.2L47 R56 V57 I140L47-T49 HydrophobicContact CB-CG2 4.16Å; T49-R56 CarbonylContact O-C 3.46Å; T49-R56 WeakPolarHBondContact O-CA 3.46Å; T49-V57 PolarHBondContact N-O 3.3Å; T49-V57 PolarHBondContact O-N 3.33Å; T49-V57 PolarHBondContact OG1-O 3.35Å; T49-I140 HydrophobicContact CG2-CG2 4.39Å
50I88.2Confident88.8Confident86 Ų8644 Ų4444%0.44124%0.242SC..EExtended strand (participates in β ladder)trans-116.2115.7169.5-58.2170.7000105.3Q55 M85I50-Q55 WeakPolarHBondContact CA-O 3.4Å; I50-M85 HydrophobicContact CD1-CE 3.53Å; I50-M85 HydrophobicContact CG1-CE 4.43Å
51N88.1Confident89.7Confident6 Ų640 Ų403%0.03221%0.209CC..  trans-77.9175.6179.670.710.9000111.4R53 H54 Q55 L138N51-R53 PolarHBondContact O-N 3.18Å; N51-R53 WeakPolarHBondContact OD1-CA 3.45Å; N51-R53 PolarHBondContact OD1-N 3.39Å; N51-H54 PolarHBondContact O-N 2.9Å; N51-H54 PolarHBondContact OD1-N 3.4Å; N51-Q55 PolarHBondContact N-O 3.14Å; N51-Q55 VanDerWaalsContact N-O 3.08Å; N51-Q55 PolarHBondContact ND2-OE1 3.24Å; N51-Q55 VanDerWaalsContact OD1-CB 3.29Å; N51-Q55 WeakPolarHBondContact OD1-CB 3.42Å; N51-Q55 PolarHBondContact OD1-N 3.48Å; N51-L138 VanDerWaalsContact CB-O 3.26Å; N51-L138 WeakPolarHBondContact CB-O 3.46Å; N51-L138 PolarHBondContact ND2-O 3.38Å
52S84.7Confident90.1Very high58 Ų5838.4 Ų38.441%0.40619%0.191SC..THydrogen-bonded Turntrans-64.4-7.7-179.372.60000114.7I1354 S1355S52-I1354 WeakPolarHBondContact OG-CA 3.47Å; S52-S1355 PolarHBondContact OG-N 2.65Å
53R86.2Confident90.2Very high107 Ų10737.4 Ų37.440%0.40419%0.185SC..THydrogen-bonded Turntrans-100.415.6172.8-67-174.8177.3-158.9-3.5112.4N51 Q55 D1353 I1354N51-R53 PolarHBondContact O-N 3.18Å; N51-R53 WeakPolarHBondContact OD1-CA 3.45Å; N51-R53 PolarHBondContact OD1-N 3.39Å; R53-Q55 HydrophobicContact CB-CG 4.06Å; R53-Q55 PolarHBondContact O-N 2.8Å; R53-Q55 VanDerWaalsContact O-N 3.15Å; R53-D1353 PolarHBondContact NE-O 2.93Å; R53-D1353 PolarHBondContact NH2-O 2.95Å; R53-I1354 HydrophobicContact CG-CG1 4.04Å
54H85.5Confident90.2Very high167 Ų16739.6 Ų39.677%0.77319%0.192SC*.  trans57.724.7-176-58.8-70000114.2N51N51-H54 PolarHBondContact O-N 2.9Å; N51-H54 PolarHBondContact OD1-N 3.4Å
55Q87.9Confident89.9Confident89 Ų8940.1 Ų40.142%0.41620%0.196SC..  trans-87.5124.4175.6-54.3174.7-31.700109I50 N51 R53I50-Q55 WeakPolarHBondContact CA-O 3.4Å; N51-Q55 PolarHBondContact N-O 3.14Å; N51-Q55 VanDerWaalsContact N-O 3.08Å; N51-Q55 PolarHBondContact ND2-OE1 3.24Å; N51-Q55 VanDerWaalsContact OD1-CB 3.29Å; N51-Q55 WeakPolarHBondContact OD1-CB 3.42Å; N51-Q55 PolarHBondContact OD1-N 3.48Å; R53-Q55 HydrophobicContact CB-CG 4.06Å; R53-Q55 PolarHBondContact O-N 2.8Å; R53-Q55 VanDerWaalsContact O-N 3.15Å
56R91.8Very high89.4Confident24 Ų2441.9 Ų41.99%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-78.4125.2172.6-165.8-165.4-175.4-1773110.3D48 T49 L83 P84 M85 V87D48-R56 WeakPolarHBondContact OD1-CG 3.4Å; D48-R56 IonicContact OD1-CZ 2.85Å; D48-R56 IonicContact OD1-NE 3.89Å; D48-R56 PolarHBondContact OD1-NE 3.19Å; D48-R56 IonicContact OD1-NH2 3.24Å; D48-R56 IonicContact OD2-CZ 3.07Å; D48-R56 IonicContact OD2-NE 3.76Å; D48-R56 PolarHBondContact OD2-NE 3.02Å; D48-R56 IonicContact OD2-NH2 3.5Å; D48-R56 PolarHBondContact OD2-NH2 3.35Å; T49-R56 CarbonylContact O-C 3.46Å; T49-R56 WeakPolarHBondContact O-CA 3.46Å; R56-L83 VanDerWaalsContact CD-O 3.23Å; R56-L83 WeakPolarHBondContact CD-O 3.15Å; R56-L83 PolarHBondContact NH1-O 3.42Å; R56-P84 VanDerWaalsContact NH1-C 3.31Å; R56-P84 PolarHBondContact NH1-O 3.13Å; R56-M85 HydrophobicContact CB-SD 4.42Å; R56-M85 HydrophobicContact CG-SD 4.18Å; R56-V87 PolarHBondContact NH1-O 3.32Å; R56-V87 PolarHBondContact NH2-O 3.15Å
57V92.6Very high88.7Confident3 Ų344.5 Ų44.52%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-132.5125.3177.9-175.80000108.6T49 V59 Q81 L138 I140T49-V57 PolarHBondContact N-O 3.3Å; T49-V57 PolarHBondContact O-N 3.33Å; T49-V57 PolarHBondContact OG1-O 3.35Å; V57-V59 HydrophobicContact CG1-CG1 3.94Å; V57-Q81 HydrophobicContact CG1-CG 4.14Å; V57-Q81 HydrophobicContact CG2-CG 4.35Å; V57-L138 HydrophobicContact CG1-CD1 3.82Å; V57-L138 HydrophobicContact CG2-CD1 4.11Å; V57-I140 HydrophobicContact CB-CD1 4.49Å; V57-I140 HydrophobicContact CG1-CD1 4.04Å
58V94.1Very high88Confident0 Ų048.3 Ų48.30%028%0.277CS..EExtended strand (participates in β ladder)trans-104112.8171.6-174.80000108.3M46 L47 D48 A79 I80 L83M46-V58 HydrophobicContact CB-CG1 4.13Å; M46-V58 HydrophobicContact SD-CG1 4.23Å; L47-V58 CarbonylContact O-C 3.46Å; L47-V58 VanDerWaalsContact O-CA 3.31Å; L47-V58 WeakPolarHBondContact O-CA 3.28Å; D48-V58 HydrophobicContact CB-CG2 4.4Å; V58-A79 CarbonylContact O-C 3.43Å; V58-A79 WeakPolarHBondContact O-CA 3.45Å; V58-I80 HydrophobicContact CB-CB 4.15Å; V58-I80 HydrophobicContact CB-CD1 4.46Å; V58-I80 PolarHBondContact N-O 3.43Å; V58-I80 PolarHBondContact O-N 3.34Å; V58-L83 HydrophobicContact CG2-CD2 4.02Å
59V94.4Very high87.1Confident0 Ų052.3 Ų52.30%029%0.286CS..EExtended strand (participates in β ladder)trans-103.2137172.1-63.90000109.5M46 L47 V57 A79 Y131 M135 I140M46-V59 CarbonylContact C-O 3.58Å; M46-V59 WeakPolarHBondContact CA-O 3.49Å; L47-V59 HydrophobicContact CB-CG2 3.85Å; L47-V59 HydrophobicContact CD1-CG2 4.27Å; L47-V59 HydrophobicContact CG-CG2 4.47Å; L47-V59 PolarHBondContact N-O 3.19Å; L47-V59 PolarHBondContact O-N 3.38Å; V57-V59 HydrophobicContact CG1-CG1 3.94Å; V59-A79 HydrophobicContact CG1-CB 4.1Å; V59-Y131 HydrophobicContact CB-CE2 4.14Å; V59-Y131 WeakPolarHBondContact CB-OH 3.34Å; V59-Y131 HydrophobicContact CG1-CE2 4.49Å; V59-M135 HydrophobicContact CG1-CG 4.32Å; V59-M135 HydrophobicContact CG2-CE 4.31Å; V59-I140 HydrophobicContact CB-CD1 4.42Å; V59-I140 HydrophobicContact CG1-CD1 3.45Å; V59-I140 VanDerWaalsContact CG1-CD1 3.45Å; V59-I140 HydrophobicContact CG2-CD1 4.09Å
60G92.8Very high86.3Confident0 Ų058.2 Ų58.20%032%0.317CS..EExtended strand (participates in β ladder)trans-149.5164.4-170.300000114S45 P77 F78S45-G60 CarbonylContact O-C 3.57Å; S45-G60 WeakPolarHBondContact O-CA 3.35Å; G60-P77 CarbonylContact O-C 3.56Å; G60-P77 WeakPolarHBondContact O-CA 3.48Å; G60-F78 PolarHBondContact N-O 3.36Å; G60-F78 WeakPolarHBondContact O-CD1 3.5Å; G60-F78 PolarHBondContact O-N 3.1Å; G60-F78 VanDerWaalsContact O-O 3.05Å
61V93.9Very high85.4Confident0 Ų060.5 Ų60.50%032%0.32CS..EExtended strand (participates in β ladder)trans-137.9121.7-178.1-176.50000108.2P10 Y44 S45 L63 I75 P77P10-V61 HydrophobicContact CB-CG1 4.16Å; P10-V61 HydrophobicContact CB-CG2 3.86Å; P10-V61 HydrophobicContact CG-CG2 4.35Å; Y44-V61 WeakPolarHBondContact CA-O 3.37Å; S45-V61 PolarHBondContact N-O 3.24Å; S45-V61 PolarHBondContact O-N 3.36Å; V61-L63 HydrophobicContact CG1-CD2 3.65Å; V61-L63 HydrophobicContact CG1-CG 4.23Å; V61-I75 HydrophobicContact CG1-CG2 3.34Å; V61-P77 HydrophobicContact CG2-CB 4.38Å
62R93.1Very high85Confident6 Ų664.9 Ų64.92%0.02334%0.339CS..EExtended strand (participates in β ladder)trans-86.4125.7172.7-174.3-127.662.7700.8108.9V42 Y44 D74 I75 K76 F78 L107V42-R62 HydrophobicContact CG1-CG 3.83Å; Y44-R62 HydrophobicContact CD1-CB 4Å; Y44-R62 HydrophobicContact CD1-CG 4.26Å; Y44-R62 HydrophobicContact CE1-CB 3.65Å; Y44-R62 HydrophobicContact CE1-CG 3.65Å; R62-D74 IonicContact CZ-OD2 2.67Å; R62-D74 IonicContact NE-OD2 3.82Å; R62-D74 VanDerWaalsContact NH2-CB 3.31Å; R62-D74 PolarHBondContact NH2-O 3.03Å; R62-D74 IonicContact NH2-OD2 3.49Å; R62-D74 PolarHBondContact NH2-OD2 3.48Å; R62-I75 WeakPolarHBondContact O-CA 3.22Å; R62-K76 HydrophobicContact CB-CB 4.28Å; R62-K76 PolarHBondContact N-O 2.93Å; R62-K76 PolarHBondContact O-N 3.35Å; R62-F78 HydrophobicContact CB-CE1 4.46Å; R62-L107 HydrophobicContact CB-CD1 4.27Å; R62-L107 HydrophobicContact CB-CD2 4.41Å; R62-L107 HydrophobicContact CG-CB 4.19Å
63L90.9Very high84.9Confident8 Ų862.3 Ų62.34%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-118.2127.8-175.4-57.9174000109.8T6 L34 L38 C43 V61 V73 D74 I75T6-L63 HydrophobicContact CG2-CD1 3.92Å; T6-L63 HydrophobicContact CG2-CD2 4.01Å; L34-L63 HydrophobicContact CD1-CD1 4.44Å; L34-L63 HydrophobicContact CD2-CD1 4.23Å; L34-L63 HydrophobicContact CD2-CD2 3.86Å; L38-L63 HydrophobicContact CD1-CB 3.95Å; L38-L63 HydrophobicContact CD2-CB 4Å; L38-L63 HydrophobicContact CD2-CD1 3.93Å; C43-L63 HydrophobicContact CB-CB 4.29Å; C43-L63 PolarHBondContact N-O 3.33Å; C43-L63 PolarHBondContact O-N 3.49Å; V61-L63 HydrophobicContact CG1-CD2 3.65Å; V61-L63 HydrophobicContact CG1-CG 4.23Å; L63-V73 HydrophobicContact CB-CG1 4.26Å; L63-V73 HydrophobicContact CD2-CG1 4.17Å; L63-D74 WeakPolarHBondContact CA-O 3.47Å; L63-I75 HydrophobicContact CD2-CB 4.34Å; L63-I75 HydrophobicContact CD2-CD1 3.85Å; L63-I75 HydrophobicContact CD2-CG1 3.69Å; L63-I75 HydrophobicContact CD2-CG2 4.25Å
64Q88.8Confident85Confident80 Ų8059.8 Ų59.837%0.37432%0.316SS..EExtended strand (participates in β ladder)trans-135.3138.7172.5-117.3172-59.300108.6G41 V42 V66 V73 D74G41-Q64 VanDerWaalsContact O-CG 3.27Å; G41-Q64 WeakPolarHBondContact O-CG 3.44Å; V42-Q64 HydrophobicContact CG2-CG 4.23Å; Q64-V66 PolarHBondContact O-N 2.84Å; Q64-V73 CarbonylContact O-C 3.57Å; Q64-V73 VanDerWaalsContact O-CA 3.29Å; Q64-V73 WeakPolarHBondContact O-CA 3.43Å; Q64-V73 WeakPolarHBondContact O-CG1 3.47Å; Q64-D74 HydrophobicContact CB-CB 4.46Å; Q64-D74 PolarHBondContact N-O 3.1Å; Q64-D74 PolarHBondContact O-N 3.49Å
65Q85.8Confident85.2Confident52 Ų5253.2 Ų53.224%0.24329%0.286CS..EExtended strand (participates in β ladder)trans-66.1132.1159.8-68.4172.8-15.500109.3H35 L38 A67H35-Q65 PolarHBondContact O-NE2 3.13Å; L38-Q65 HydrophobicContact CB-CG 4.3Å; L38-Q65 PolarHBondContact O-NE2 3.25Å; Q65-A67 PolarHBondContact O-N 3.36Å
66V79.8Confident85.4Confident44 Ų4452.9 Ų52.927%0.26728%0.283SS..  trans-85.4108.3175.6-176.60000108.1Q64 G68 R69 K72 D74Q64-V66 PolarHBondContact O-N 2.84Å; V66-G68 PolarHBondContact O-N 3.11Å; V66-R69 HydrophobicContact CB-CB 4.48Å; V66-R69 HydrophobicContact CG1-CB 4.24Å; V66-R69 HydrophobicContact CG1-CG 4.32Å; V66-R69 PolarHBondContact O-N 3.33Å; V66-K72 HydrophobicContact CB-CB 4.35Å; V66-K72 HydrophobicContact CG2-CB 4.46Å; V66-K72 HydrophobicContact CG2-CG 4.24Å; V66-K72 PolarHBondContact N-O 3.3Å; V66-D74 HydrophobicContact CG2-CB 3.76Å
67A76.1Confident85.6Confident100 Ų10052.1 Ų52.183%0.82628%0.281SS*.THydrogen-bonded Turntrans-56134.9177.400000111Q65 R69Q65-A67 PolarHBondContact O-N 3.36Å; A67-R69 VanDerWaalsContact C-N 3.33Å; A67-R69 PolarHBondContact O-N 3.32Å
68G75.8Confident85.8Confident91 Ų9152 Ų5294%0.93828%0.28SS*.THydrogen-bonded Turntrans79.11.1177.300000116.4V66V66-G68 PolarHBondContact O-N 3.11Å
69R71.3Confident85.8Confident156 Ų15652 Ų5259%0.58928%0.281SS*.SBendtrans-118.8122.9172.9-71.9-171.7172.1177.7-7.5110.6V66 A67 R71 K72V66-R69 HydrophobicContact CB-CB 4.48Å; V66-R69 HydrophobicContact CG1-CB 4.24Å; V66-R69 HydrophobicContact CG1-CG 4.32Å; V66-R69 PolarHBondContact O-N 3.33Å; A67-R69 VanDerWaalsContact C-N 3.33Å; A67-R69 PolarHBondContact O-N 3.32Å; R69-R71 PolarHBondContact O-N 3.35Å; R69-K72 HydrophobicContact CB-CB 4.03Å; R69-K72 PolarHBondContact O-N 3.24Å
70D70.1Confident85.9Confident146 Ų14652.1 Ų52.178%0.78128%0.281SS*.THydrogen-bonded Turntrans-60.9122.9-174.2-161.217.3000111.3K72D70-K72 PolarHBondContact O-N 3.5Å
71R70.2Confident85.9Confident134 Ų13454.4 Ų54.451%0.50629%0.292SS..THydrogen-bonded Turntrans54.920.3176-55.5176.6-167.6-158.6-0.5116.6H35 R69H35-R71 HydrophobicContact CB-CB 4.46Å; H35-R71 VanDerWaalsContact CD2-CA 3.48Å; H35-R71 WeakPolarHBondContact CD2-CA 3.37Å; R69-R71 PolarHBondContact O-N 3.35Å
72K78.5Confident85.6Confident97 Ų9756.7 Ų56.742%0.42232%0.315SS..  trans-90.5129.3179.9-166169.4-175.6167.90111.6V66 R69 D70V66-K72 HydrophobicContact CB-CB 4.35Å; V66-K72 HydrophobicContact CG2-CB 4.46Å; V66-K72 HydrophobicContact CG2-CG 4.24Å; V66-K72 PolarHBondContact N-O 3.3Å; R69-K72 HydrophobicContact CB-CB 4.03Å; R69-K72 PolarHBondContact O-N 3.24Å; D70-K72 PolarHBondContact O-N 3.5Å
73V84.5Confident85.5Confident4 Ų456.7 Ų56.72%0.02432%0.316CS..EExtended strand (participates in β ladder)trans-106.7127.5170.9-177.50000107.7L12 L34 H35 L38 L63 Q64 I75L12-V73 VanDerWaalsContact CD1-O 3.31Å; L12-V73 WeakPolarHBondContact CD1-O 3.4Å; L12-V73 HydrophobicContact CD2-CB 4.18Å; L34-V73 HydrophobicContact CD2-CG1 4.19Å; H35-V73 HydrophobicContact CB-CG2 3.76Å; L38-V73 HydrophobicContact CD1-CB 4.37Å; L38-V73 HydrophobicContact CD1-CG1 3.54Å; L38-V73 HydrophobicContact CD1-CG2 3.83Å; L63-V73 HydrophobicContact CB-CG1 4.26Å; L63-V73 HydrophobicContact CD2-CG1 4.17Å; Q64-V73 CarbonylContact O-C 3.57Å; Q64-V73 VanDerWaalsContact O-CA 3.29Å; Q64-V73 WeakPolarHBondContact O-CA 3.43Å; Q64-V73 WeakPolarHBondContact O-CG1 3.47Å; V73-I75 HydrophobicContact CG1-CG1 4.03Å
74D87.7Confident85.4Confident55 Ų5559.3 Ų59.329%0.29433%0.333SS..EExtended strand (participates in β ladder)trans-76.7131.9164.8-178.943.7000107.9R62 L63 Q64 V66 K76R62-D74 IonicContact CZ-OD2 2.67Å; R62-D74 IonicContact NE-OD2 3.82Å; R62-D74 VanDerWaalsContact NH2-CB 3.31Å; R62-D74 PolarHBondContact NH2-O 3.03Å; R62-D74 IonicContact NH2-OD2 3.49Å; R62-D74 PolarHBondContact NH2-OD2 3.48Å; L63-D74 WeakPolarHBondContact CA-O 3.47Å; Q64-D74 HydrophobicContact CB-CB 4.46Å; Q64-D74 PolarHBondContact N-O 3.1Å; Q64-D74 PolarHBondContact O-N 3.49Å; V66-D74 HydrophobicContact CG2-CB 3.76Å; D74-K76 WeakPolarHBondContact OD2-CE 3.26Å
75I88.8Confident85.2Confident29 Ų2961.9 Ų61.915%0.14935%0.347CS..EExtended strand (participates in β ladder)trans-125.6119.6-176.4-62.3-157.1000107.8P10 L12 L15 L34 V61 R62 L63 V73P10-I75 HydrophobicContact CB-CG2 3.75Å; L12-I75 HydrophobicContact CD1-CD1 4.24Å; L12-I75 HydrophobicContact CD1-CG1 4.27Å; L12-I75 HydrophobicContact CD2-CD1 3.5Å; L12-I75 VanDerWaalsContact CD2-CD1 3.5Å; L12-I75 HydrophobicContact CD2-CG1 4.2Å; L12-I75 HydrophobicContact CG-CD1 3.56Å; L12-I75 HydrophobicContact CG-CG1 4.13Å; L15-I75 HydrophobicContact CD1-CD1 4.37Å; L34-I75 HydrophobicContact CD2-CD1 3.91Å; V61-I75 HydrophobicContact CG1-CG2 3.34Å; R62-I75 WeakPolarHBondContact O-CA 3.22Å; L63-I75 HydrophobicContact CD2-CB 4.34Å; L63-I75 HydrophobicContact CD2-CD1 3.85Å; L63-I75 HydrophobicContact CD2-CG1 3.69Å; L63-I75 HydrophobicContact CD2-CG2 4.25Å; V73-I75 HydrophobicContact CG1-CG1 4.03Å
76K93.1Very high85.3Confident82 Ų8264.3 Ų64.336%0.35737%0.369SS..EExtended strand (participates in β ladder)trans-124.1101.9175.7-67.8-173.5177.5-178.60110.6R62 D74 L107R62-K76 HydrophobicContact CB-CB 4.28Å; R62-K76 PolarHBondContact N-O 2.93Å; R62-K76 PolarHBondContact O-N 3.35Å; D74-K76 WeakPolarHBondContact OD2-CE 3.26Å; K76-L107 HydrophobicContact CB-CD2 4.05Å; K76-L107 HydrophobicContact CD-CD2 4.05Å
77P95.7Very high85.7Confident8 Ų863.4 Ų63.45%0.05236%0.364CS..EExtended strand (participates in β ladder)trans-72.7146.6174.824.9-26.1000111.9P10 G60 V61 F125 Y131P10-P77 HydrophobicContact CG-CB 4.24Å; P10-P77 HydrophobicContact CG-CG 4.46Å; G60-P77 CarbonylContact O-C 3.56Å; G60-P77 WeakPolarHBondContact O-CA 3.48Å; V61-P77 HydrophobicContact CG2-CB 4.38Å; P77-F125 HydrophobicContact CG-CB 4.15Å; P77-F125 PolarHBondContact O-N 3.16Å; P77-Y131 HydrophobicContact CB-CD1 4.02Å; P77-Y131 HydrophobicContact CB-CD2 3.75Å; P77-Y131 HydrophobicContact CB-CE1 4.22Å; P77-Y131 HydrophobicContact CB-CE2 3.97Å; P77-Y131 HydrophobicContact CB-CG 3.75Å; P77-Y131 HydrophobicContact CG-CG 4.38Å
78F96Very high86.2Confident0 Ų063.9 Ų63.90%035%0.349CS..EExtended strand (participates in β ladder)trans-150.2164.3177.766.5-88.4000111Y44 M46 G60 R62 I80 L107 L110 F122 K123 Y131Y44-F78 AromaticContact CD1-CE1 3.69Å; Y44-F78 HydrophobicContact CD1-CE1 3.69Å; Y44-F78 AromaticContact CD1-CZ 3.86Å; Y44-F78 HydrophobicContact CD1-CZ 3.86Å; Y44-F78 AromaticContact CE1-CE1 3.89Å; Y44-F78 HydrophobicContact CE1-CE1 3.89Å; Y44-F78 HydrophobicContact CE1-CZ 4.17Å; M46-F78 HydrophobicContact CG-CZ 3.97Å; M46-F78 HydrophobicContact SD-CE2 4.23Å; M46-F78 HydrophobicContact SD-CZ 3.86Å; G60-F78 PolarHBondContact N-O 3.36Å; G60-F78 WeakPolarHBondContact O-CD1 3.5Å; G60-F78 PolarHBondContact O-N 3.1Å; G60-F78 VanDerWaalsContact O-O 3.05Å; R62-F78 HydrophobicContact CB-CE1 4.46Å; F78-I80 HydrophobicContact CD2-CD1 4.38Å; F78-I80 HydrophobicContact CD2-CG1 4.1Å; F78-I80 HydrophobicContact CE2-CD1 3.96Å; F78-I80 HydrophobicContact CE2-CG1 4.16Å; F78-L107 HydrophobicContact CD1-CD1 3.94Å; F78-L107 HydrophobicContact CE1-CD1 4.24Å; F78-L107 HydrophobicContact CG-CD1 4.37Å; F78-L110 HydrophobicContact CE2-CD2 4.34Å; F78-L110 HydrophobicContact CZ-CD2 4.27Å; F78-F122 HydrophobicContact CB-CE2 3.85Å; F78-F122 HydrophobicContact CB-CZ 3.91Å; F78-F122 HydrophobicContact CD2-CD2 4.39Å; F78-F122 AromaticContact CD2-CE2 3.71Å; F78-F122 HydrophobicContact CD2-CE2 3.71Å; F78-F122 AromaticContact CG-CE2 3.92Å; F78-F122 HydrophobicContact CG-CE2 3.92Å; F78-F122 HydrophobicContact CG-CZ 4.33Å; F78-K123 CarbonylContact C-O 3.52Å; F78-K123 WeakPolarHBondContact CA-O 3.46Å; F78-K123 WeakPolarHBondContact CB-O 3.46Å; F78-Y131 WeakPolarHBondContact O-CE2 3.47Å
79A95.5Very high86.6Confident1 Ų160.9 Ų60.91%0.00831%0.313CS..EExtended strand (participates in β ladder)trans-137.2149173.400000110.6V58 V59 K123 F125 L134V58-A79 CarbonylContact O-C 3.43Å; V58-A79 WeakPolarHBondContact O-CA 3.45Å; V59-A79 HydrophobicContact CG1-CB 4.1Å; A79-K123 PolarHBondContact N-O 3.31Å; A79-K123 PolarHBondContact O-N 3.39Å; A79-F125 HydrophobicContact CB-CE2 3.94Å; A79-L134 HydrophobicContact CB-CD2 3.4Å; A79-L134 VanDerWaalsContact CB-CD2 3.4Å
80I95.1Very high87.2Confident1 Ų157.5 Ų57.51%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-127.2126.4177.1-48.4171.7000107.2V58 F78 L83 L92 L114 V120 Q121 F122V58-I80 HydrophobicContact CB-CB 4.15Å; V58-I80 HydrophobicContact CB-CD1 4.46Å; V58-I80 PolarHBondContact N-O 3.43Å; V58-I80 PolarHBondContact O-N 3.34Å; F78-I80 HydrophobicContact CD2-CD1 4.38Å; F78-I80 HydrophobicContact CD2-CG1 4.1Å; F78-I80 HydrophobicContact CE2-CD1 3.96Å; F78-I80 HydrophobicContact CE2-CG1 4.16Å; I80-L83 HydrophobicContact CG2-CB 4.38Å; I80-L92 HydrophobicContact CD1-CD1 4.15Å; I80-L114 HydrophobicContact CD1-CD1 3.48Å; I80-L114 VanDerWaalsContact CD1-CD1 3.48Å; I80-L114 HydrophobicContact CD1-CD2 4.23Å; I80-L114 HydrophobicContact CG1-CD1 3.85Å; I80-L114 HydrophobicContact CG2-CD1 4.37Å; I80-L114 HydrophobicContact CG2-CD2 4.05Å; I80-V120 HydrophobicContact CG2-CG1 3.56Å; I80-Q121 CarbonylContact C-O 3.48Å; I80-Q121 VanDerWaalsContact CA-O 3.29Å; I80-Q121 WeakPolarHBondContact CA-O 3.43Å; I80-F122 HydrophobicContact CG1-CD2 4.14Å
81Q92.7Very high88Confident49 Ų4955.3 Ų55.323%0.22930%0.295CS..EExtended strand (participates in β ladder)trans-122.5149.8177.2-62.4178.635.300109.9V57 V120 Q121V57-Q81 HydrophobicContact CG1-CG 4.14Å; V57-Q81 HydrophobicContact CG2-CG 4.35Å; Q81-V120 WeakPolarHBondContact O-CA 3.43Å; Q81-Q121 HydrophobicContact CB-CB 4.46Å; Q81-Q121 PolarHBondContact N-O 3.05Å; Q81-Q121 PolarHBondContact O-N 3.06Å
82G89Confident88.8Confident48 Ų4849 Ų4950%0.49527%0.271SS..SBendtrans80.811.7176.900000114.9P84G82-P84 WeakPolarHBondContact O-CD 3.35Å
83L90.6Very high89.3Confident5 Ų544.9 Ų44.93%0.02625%0.254CS..  trans-68.5124.4-178.9-17373000111.7R56 V58 I80 M85 V87 L92 L114 M117 V120R56-L83 VanDerWaalsContact CD-O 3.23Å; R56-L83 WeakPolarHBondContact CD-O 3.15Å; R56-L83 PolarHBondContact NH1-O 3.42Å; V58-L83 HydrophobicContact CG2-CD2 4.02Å; I80-L83 HydrophobicContact CG2-CB 4.38Å; L83-M85 PolarHBondContact O-N 3.38Å; L83-V87 HydrophobicContact CD1-CB 4.19Å; L83-V87 HydrophobicContact CD1-CG1 4.12Å; L83-V87 HydrophobicContact CG-CB 4.29Å; L83-L92 HydrophobicContact CD1-CD1 3.85Å; L83-L92 HydrophobicContact CD1-CD2 4.15Å; L83-L92 HydrophobicContact CD1-CG 4.49Å; L83-L92 HydrophobicContact CD2-CD1 3.48Å; L83-L92 VanDerWaalsContact CD2-CD1 3.48Å; L83-L92 HydrophobicContact CD2-CG 4.5Å; L83-L92 HydrophobicContact CG-CD1 4.33Å; L83-L114 HydrophobicContact CD1-CD2 4.38Å; L83-M117 HydrophobicContact CD1-SD 4.29Å; L83-V120 HydrophobicContact CD1-CG2 4.45Å
84P88.3Confident89.5Confident63 Ų6346.8 Ų46.841%0.40927%0.266SS..  trans-60136.9179.2-23.733.3000112.8R56 G82 S86 V87R56-P84 VanDerWaalsContact NH1-C 3.31Å; R56-P84 PolarHBondContact NH1-O 3.13Å; G82-P84 WeakPolarHBondContact O-CD 3.35Å; P84-S86 PolarHBondContact O-N 3.25Å; P84-V87 HydrophobicContact CB-CG2 4.41Å; P84-V87 PolarHBondContact O-N 3.23Å
85M85.5Confident89.5Confident135 Ų13547.8 Ų47.867%0.66527%0.269SS*.THydrogen-bonded Turntrans-57.7-22.8-177.5-71.6-69.4-109.100114.3I50 R56 L83 V87I50-M85 HydrophobicContact CD1-CE 3.53Å; I50-M85 HydrophobicContact CG1-CE 4.43Å; R56-M85 HydrophobicContact CB-SD 4.42Å; R56-M85 HydrophobicContact CG-SD 4.18Å; L83-M85 PolarHBondContact O-N 3.38Å; M85-V87 VanDerWaalsContact C-N 3.27Å; M85-V87 PolarHBondContact O-N 3.31Å
86S87.7Confident89.2Confident102 Ų10251.9 Ų51.971%0.71330%0.295SS*.THydrogen-bonded Turntrans-68.2-23.4174.453.80000113.7P84P84-S86 PolarHBondContact O-N 3.25Å
87V88.2Confident88.8Confident26 Ų2652.7 Ų52.716%0.15830%0.303CS..SBendtrans-89.2119.5-178.9-176.30000109.9R56 L83 P84 M85 L92R56-V87 PolarHBondContact NH1-O 3.32Å; R56-V87 PolarHBondContact NH2-O 3.15Å; L83-V87 HydrophobicContact CD1-CB 4.19Å; L83-V87 HydrophobicContact CD1-CG1 4.12Å; L83-V87 HydrophobicContact CG-CB 4.29Å; P84-V87 HydrophobicContact CB-CG2 4.41Å; P84-V87 PolarHBondContact O-N 3.23Å; M85-V87 VanDerWaalsContact C-N 3.27Å; M85-V87 PolarHBondContact O-N 3.31Å; V87-L92 HydrophobicContact CG1-CD2 3.71Å; V87-L92 HydrophobicContact CG1-CG 3.92Å
88Q85.1Confident88.2Confident110 Ų11056.2 Ų56.251%0.51432%0.322SS..  trans-80.8138.6176-65.4-174.1-1.200110.7T90 Q91 L92Q88-T90 PolarHBondContact O-N 3.37Å; Q88-T90 VanDerWaalsContact O-N 3.13Å; Q88-Q91 HydrophobicContact CB-CG 4.11Å; Q88-Q91 WeakPolarHBondContact O-CB 3.4Å; Q88-Q91 PolarHBondContact O-N 3.01Å; Q88-L92 PolarHBondContact O-N 3.26Å
89P85.2Confident87.3Confident28 Ų2865.8 Ų65.818%0.18237%0.366CS..Hα-helixtrans-57.6-32.1-179.6-26.134.8000113.8M46 D48 L92 V93M46-P89 HydrophobicContact CE-CB 4.15Å; D48-P89 HydrophobicContact CB-CG 4.04Å; D48-P89 WeakPolarHBondContact OD2-CG 3.49Å; P89-L92 WeakPolarHBondContact O-CB 3.28Å; P89-L92 PolarHBondContact O-N 3.2Å; P89-V93 PolarHBondContact O-N 3.13Å
90T84.8Confident86.6Confident84 Ų8477 Ų7752%0.51541%0.408SS..Hα-helixtrans-62.4-40.7175.543.70000112.4Q88 L92 V93 T94Q88-T90 PolarHBondContact O-N 3.37Å; Q88-T90 VanDerWaalsContact O-N 3.13Å; T90-L92 PolarHBondContact O-N 3.42Å; T90-V93 PolarHBondContact O-N 3.34Å; T90-T94 PolarHBondContact O-N 3.35Å; T90-T94 VanDerWaalsContact O-N 3.11Å; T90-T94 PolarHBondContact O-OG1 3.13Å
91Q85.7Confident85.8Confident100 Ų10082.5 Ų82.547%0.46743%0.434SS..Hα-helixtrans-66.5-23.6176.9-64.5170.8-15.400112.3Q88 T94 K113Q88-Q91 HydrophobicContact CB-CG 4.11Å; Q88-Q91 WeakPolarHBondContact O-CB 3.4Å; Q88-Q91 PolarHBondContact O-N 3.01Å; Q91-T94 VanDerWaalsContact O-O 3.11Å; Q91-K113 PolarHBondContact O-NZ 3.13Å
92L87.3Confident85.4Confident1 Ų183 Ų831%0.00545%0.447CS..Hα-helixtrans-71-47.5175.8-68.5177.9000111.5I80 L83 V87 Q88 P89 T90 L105 L110 L114 M117I80-L92 HydrophobicContact CD1-CD1 4.15Å; L83-L92 HydrophobicContact CD1-CD1 3.85Å; L83-L92 HydrophobicContact CD1-CD2 4.15Å; L83-L92 HydrophobicContact CD1-CG 4.49Å; L83-L92 HydrophobicContact CD2-CD1 3.48Å; L83-L92 VanDerWaalsContact CD2-CD1 3.48Å; L83-L92 HydrophobicContact CD2-CG 4.5Å; L83-L92 HydrophobicContact CG-CD1 4.33Å; V87-L92 HydrophobicContact CG1-CD2 3.71Å; V87-L92 HydrophobicContact CG1-CG 3.92Å; Q88-L92 PolarHBondContact O-N 3.26Å; P89-L92 WeakPolarHBondContact O-CB 3.28Å; P89-L92 PolarHBondContact O-N 3.2Å; T90-L92 PolarHBondContact O-N 3.42Å; L92-L105 WeakPolarHBondContact O-CD1 3.21Å; L92-L110 HydrophobicContact CB-CD1 3.97Å; L92-L110 WeakPolarHBondContact O-CD1 3.24Å; L92-L114 HydrophobicContact CD1-CD2 4.06Å; L92-L114 HydrophobicContact CD2-CD2 3.77Å; L92-M117 HydrophobicContact CD2-CE 4.11Å; L92-M117 HydrophobicContact CD2-SD 4.42Å
93V89.8Confident85.3Confident12 Ų1286 Ų867%0.07344%0.443CS..Hα-helixtrans-89.7-5.1-172.8-63.60000114.1Y44 M46 P89 T90 V104 L105 L110Y44-V93 HydrophobicContact CD1-CG1 4.35Å; Y44-V93 HydrophobicContact CD2-CB 3.82Å; Y44-V93 HydrophobicContact CD2-CG1 3.88Å; Y44-V93 HydrophobicContact CD2-CG2 4.5Å; Y44-V93 HydrophobicContact CE2-CB 4.09Å; Y44-V93 HydrophobicContact CE2-CG1 4.16Å; Y44-V93 HydrophobicContact CG-CB 4.36Å; Y44-V93 HydrophobicContact CG-CG1 3.98Å; M46-V93 HydrophobicContact CE-CB 4.18Å; M46-V93 HydrophobicContact CE-CG1 3.39Å; M46-V93 HydrophobicContact CE-CG2 3.67Å; M46-V93 HydrophobicContact SD-CG1 3.7Å; P89-V93 PolarHBondContact O-N 3.13Å; T90-V93 PolarHBondContact O-N 3.34Å; V93-V104 CarbonylContact O-C 3.45Å; V93-V104 WeakPolarHBondContact O-CA 3.49Å; V93-L105 PolarHBondContact O-N 3.42Å; V93-L110 HydrophobicContact CG1-CD1 4.17Å; V93-L110 HydrophobicContact CG1-CD2 3.97Å
94T88.7Confident85.3Confident44 Ų4489 Ų8927%0.2746%0.462SS..EExtended strand (participates in β ladder)trans-122.7151.8177.558.20000111.9T90 Q91 R103 V104T90-T94 PolarHBondContact O-N 3.35Å; T90-T94 VanDerWaalsContact O-N 3.11Å; T90-T94 PolarHBondContact O-OG1 3.13Å; Q91-T94 VanDerWaalsContact O-O 3.11Å; T94-R103 CarbonylContact C-O 3.52Å; T94-R103 VanDerWaalsContact CA-O 3.27Å; T94-R103 WeakPolarHBondContact CA-O 3.42Å; T94-V104 HydrophobicContact CG2-CG2 4.38Å
95E86Confident85.4Confident75 Ų7586.3 Ų86.335%0.3544%0.444SS..EExtended strand (participates in β ladder)trans-126122.2170.3-176.8-175.3-177.300108.6L97 A102 R103 L105E95-L97 PolarHBondContact O-N 3.38Å; E95-A102 CarbonylContact O-C 3.5Å; E95-A102 WeakPolarHBondContact O-CA 3.22Å; E95-R103 HydrophobicContact CB-CG 4.05Å; E95-R103 PolarHBondContact N-O 3.33Å; E95-R103 PolarHBondContact O-N 3.13Å; E95-R103 IonicContact OE1-NH2 2.78Å; E95-R103 IonicContact OE2-CZ 2.94Å; E95-R103 IonicContact OE2-NE 3.82Å; E95-R103 PolarHBondContact OE2-NE 2.91Å; E95-R103 IonicContact OE2-NH2 2.74Å; E95-R103 PolarHBondContact OE2-NH2 3Å; E95-L105 HydrophobicContact CB-CD2 3.95Å; E95-L105 HydrophobicContact CB-CG 4.27Å
96T84.1Confident85.7Confident115 Ų11581.7 Ų81.771%0.70642%0.424SS*.EExtended strand (participates in β ladder)trans-73.4111.4176.644.90000109.3
97L84.1Confident85.9Confident99 Ų9977.5 Ų77.552%0.51839%0.393SS..EExtended strand (participates in β ladder)trans-79-33.6176.5-65.6170.7000111.3E95 Q101 R103E95-L97 PolarHBondContact O-N 3.38Å; L97-Q101 PolarHBondContact N-O 3.14Å; L97-R103 HydrophobicContact CD1-CB 4.05Å; L97-R103 HydrophobicContact CD1-CG 4.26Å; L97-R103 HydrophobicContact CD2-CG 4.19Å; L97-R103 HydrophobicContact CG-CB 4.43Å; L97-R103 HydrophobicContact CG-CG 4.16Å
98N82.2Confident86Confident83 Ų8380.8 Ų80.844%0.44441%0.41SS..EExtended strand (participates in β ladder)trans-163.6-175.5176.154.740.1000109.7R100 Q101N98-R100 PolarHBondContact O-N 3.21Å; N98-R100 PolarHBondContact OD1-N 3.28Å; N98-Q101 PolarHBondContact N-O 3.47Å; N98-Q101 PolarHBondContact ND2-OE1 3.37Å; N98-Q101 VanDerWaalsContact ND2-OE1 3.08Å; N98-Q101 PolarHBondContact O-N 3.14Å; N98-Q101 WeakPolarHBondContact OD1-CA 3.37Å; N98-Q101 WeakPolarHBondContact OD1-CB 3.49Å; N98-Q101 WeakPolarHBondContact OD1-CG 3.49Å; N98-Q101 PolarHBondContact OD1-N 3.43Å
99E77.8Confident86.4Confident200 Ų20078.7 Ų78.794%0.93540%0.4SS*.THydrogen-bonded Turntrans-58.2-19.6-177.4-67.1-174167.400115.2
100R80.2Confident86.7Confident237 Ų23777.4 Ų77.489%0.89439%0.392SS*.THydrogen-bonded Turntrans-123.3-8.6-175.1-67.2-171.8178.5-175.40.2114.8N98N98-R100 PolarHBondContact O-N 3.21Å; N98-R100 PolarHBondContact OD1-N 3.28Å
101Q79.3Confident87.1Confident116 Ų11677.1 Ų77.154%0.54238%0.383SS..EExtended strand (participates in β ladder)trans-129.3128.6-174.9-59.4176.1-28.800109.9L97 N98L97-Q101 PolarHBondContact N-O 3.14Å; N98-Q101 PolarHBondContact N-O 3.47Å; N98-Q101 PolarHBondContact ND2-OE1 3.37Å; N98-Q101 VanDerWaalsContact ND2-OE1 3.08Å; N98-Q101 PolarHBondContact O-N 3.14Å; N98-Q101 WeakPolarHBondContact OD1-CA 3.37Å; N98-Q101 WeakPolarHBondContact OD1-CB 3.49Å; N98-Q101 WeakPolarHBondContact OD1-CG 3.49Å; N98-Q101 PolarHBondContact OD1-N 3.43Å
102A83.1Confident87.4Confident61 Ų6177 Ų7750%0.50439%0.386SS..EExtended strand (participates in β ladder)trans-122.6143.9167.500000108.6E95E95-A102 CarbonylContact O-C 3.5Å; E95-A102 WeakPolarHBondContact O-CA 3.22Å
103R87.7Confident87.5Confident110 Ų11080.5 Ų80.542%0.41540%0.401SS..EExtended strand (participates in β ladder)trans-100.8147.8168.565.6175.3-176.71687.4110.1T94 E95 L97 E109T94-R103 CarbonylContact C-O 3.52Å; T94-R103 VanDerWaalsContact CA-O 3.27Å; T94-R103 WeakPolarHBondContact CA-O 3.42Å; E95-R103 HydrophobicContact CB-CG 4.05Å; E95-R103 PolarHBondContact N-O 3.33Å; E95-R103 PolarHBondContact O-N 3.13Å; E95-R103 IonicContact OE1-NH2 2.78Å; E95-R103 IonicContact OE2-CZ 2.94Å; E95-R103 IonicContact OE2-NE 3.82Å; E95-R103 PolarHBondContact OE2-NE 2.91Å; E95-R103 IonicContact OE2-NH2 2.74Å; E95-R103 PolarHBondContact OE2-NH2 3Å; L97-R103 HydrophobicContact CD1-CB 4.05Å; L97-R103 HydrophobicContact CD1-CG 4.26Å; L97-R103 HydrophobicContact CD2-CG 4.19Å; L97-R103 HydrophobicContact CG-CB 4.43Å; L97-R103 HydrophobicContact CG-CG 4.16Å; R103-E109 IonicContact NH2-OE2 2.73Å
104V90Very high87.6Confident68 Ų6880 Ų8041%0.41240%0.398SS..EExtended strand (participates in β ladder)trans-85.7125172.7178.60000108.1V42 Y44 V93 T94V42-V104 HydrophobicContact CB-CG1 4.42Å; V42-V104 HydrophobicContact CG1-CG1 4.32Å; Y44-V104 HydrophobicContact CD2-CG1 3.7Å; Y44-V104 HydrophobicContact CE2-CG1 3.6Å; V93-V104 CarbonylContact O-C 3.45Å; V93-V104 WeakPolarHBondContact O-CA 3.49Å; T94-V104 HydrophobicContact CG2-CG2 4.38Å
105L91.3Very high87.5Confident7 Ų783.4 Ų83.44%0.03741%0.411CS..PPolyproline II helixtrans-71.8133.3-177.7-67.5172000110.6Y44 L92 V93 E95 E109 K113Y44-L105 WeakPolarHBondContact CE2-O 3.33Å; Y44-L105 PolarHBondContact OH-O 3.25Å; L92-L105 WeakPolarHBondContact O-CD1 3.21Å; V93-L105 PolarHBondContact O-N 3.42Å; E95-L105 HydrophobicContact CB-CD2 3.95Å; E95-L105 HydrophobicContact CB-CG 4.27Å; L105-E109 HydrophobicContact CB-CB 4.37Å; L105-E109 HydrophobicContact CD2-CB 4.24Å; L105-E109 WeakPolarHBondContact CD2-OE2 3.49Å; L105-K113 HydrophobicContact CD1-CD 3.95Å
106P91.7Very high87.6Confident37 Ų3783.9 Ų83.924%0.2443%0.428CS..PPolyproline II helixtrans-66.2160.3170.233-36.8000110.7V42 Y44 N108 E109 L110V42-P106 HydrophobicContact CG2-CB 4.49Å; Y44-P106 VanDerWaalsContact OH-C 3.27Å; P106-N108 VanDerWaalsContact CB-OD1 3.27Å; P106-N108 WeakPolarHBondContact CB-OD1 3.39Å; P106-N108 WeakPolarHBondContact CG-OD1 3.43Å; P106-N108 PolarHBondContact O-N 3Å; P106-E109 VanDerWaalsContact CD-CD 3.46Å; P106-E109 WeakPolarHBondContact CD-OE2 3.25Å; P106-E109 HydrophobicContact CG-CB 4.05Å; P106-E109 VanDerWaalsContact CG-CD 3.45Å; P106-E109 HydrophobicContact CG-CG 3.75Å; P106-E109 WeakPolarHBondContact CG-OE1 3.43Å; P106-E109 PolarHBondContact O-N 3.34Å; P106-E109 VanDerWaalsContact O-N 3.09Å; P106-L110 PolarHBondContact O-N 3.15Å
107L90.9Very high87.9Confident14 Ų1481.2 Ų81.27%0.07341%0.408CS..Hα-helixtrans-62.4-31.7-167.5-174.768.4000113.4Y44 R62 K76 F78 L110 K111 F122 Q124Y44-L107 HydrophobicContact CE1-CD1 4.05Å; Y44-L107 VanDerWaalsContact OH-CA 3.26Å; Y44-L107 WeakPolarHBondContact OH-CA 3.44Å; Y44-L107 PolarHBondContact OH-N 3.26Å; Y44-L107 VanDerWaalsContact OH-N 3.11Å; R62-L107 HydrophobicContact CB-CD1 4.27Å; R62-L107 HydrophobicContact CB-CD2 4.41Å; R62-L107 HydrophobicContact CG-CB 4.19Å; K76-L107 HydrophobicContact CB-CD2 4.05Å; K76-L107 HydrophobicContact CD-CD2 4.05Å; F78-L107 HydrophobicContact CD1-CD1 3.94Å; F78-L107 HydrophobicContact CE1-CD1 4.24Å; F78-L107 HydrophobicContact CG-CD1 4.37Å; L107-L110 HydrophobicContact CD1-CD2 4.25Å; L107-K111 WeakPolarHBondContact O-CB 3.36Å; L107-K111 PolarHBondContact O-N 2.68Å; L107-F122 HydrophobicContact CD1-CE2 4.35Å; L107-F122 HydrophobicContact CD1-CZ 3.97Å; L107-F122 HydrophobicContact CG-CZ 4.41Å; L107-Q124 HydrophobicContact CD2-CG 4.48Å
108N92Very high88Confident96 Ų9685.9 Ų85.951%0.51343%0.427SS..Hα-helixtrans-64.4-48.7173.853.3-48000111.7P106 L110 K111 D112P106-N108 VanDerWaalsContact CB-OD1 3.27Å; P106-N108 WeakPolarHBondContact CB-OD1 3.39Å; P106-N108 WeakPolarHBondContact CG-OD1 3.43Å; P106-N108 PolarHBondContact O-N 3Å; N108-L110 VanDerWaalsContact C-N 3.31Å; N108-L110 PolarHBondContact O-N 2.84Å; N108-K111 WeakPolarHBondContact O-CB 3.46Å; N108-K111 PolarHBondContact O-N 2.85Å; N108-K111 VanDerWaalsContact O-N 3.15Å; N108-D112 PolarHBondContact O-N 2.92Å
109E93Very high88.2Confident66 Ų6685.2 Ų85.231%0.30844%0.44SS..Hα-helixtrans-65.6-35.8177.4-68.8175.6-150.300111.9R103 L105 P106 D112 K113R103-E109 IonicContact NH2-OE2 2.73Å; L105-E109 HydrophobicContact CB-CB 4.37Å; L105-E109 HydrophobicContact CD2-CB 4.24Å; L105-E109 WeakPolarHBondContact CD2-OE2 3.49Å; P106-E109 VanDerWaalsContact CD-CD 3.46Å; P106-E109 WeakPolarHBondContact CD-OE2 3.25Å; P106-E109 HydrophobicContact CG-CB 4.05Å; P106-E109 VanDerWaalsContact CG-CD 3.45Å; P106-E109 HydrophobicContact CG-CG 3.75Å; P106-E109 WeakPolarHBondContact CG-OE1 3.43Å; P106-E109 PolarHBondContact O-N 3.34Å; P106-E109 VanDerWaalsContact O-N 3.09Å; E109-D112 PolarHBondContact O-N 3.11Å; E109-K113 VanDerWaalsContact O-CB 3.3Å; E109-K113 WeakPolarHBondContact O-CB 3.5Å; E109-K113 PolarHBondContact O-N 2.7Å
110L91.4Very high88.9Confident1 Ų176.4 Ų76.41%0.00540%0.399CS..Hα-helixtrans-62.1-43.6172.7176.564.8000111.5Y44 F78 L92 V93 P106 L107 N108 K113 L114Y44-L110 HydrophobicContact CE1-CD2 3.98Å; F78-L110 HydrophobicContact CE2-CD2 4.34Å; F78-L110 HydrophobicContact CZ-CD2 4.27Å; L92-L110 HydrophobicContact CB-CD1 3.97Å; L92-L110 WeakPolarHBondContact O-CD1 3.24Å; V93-L110 HydrophobicContact CG1-CD1 4.17Å; V93-L110 HydrophobicContact CG1-CD2 3.97Å; P106-L110 PolarHBondContact O-N 3.15Å; L107-L110 HydrophobicContact CD1-CD2 4.25Å; N108-L110 VanDerWaalsContact C-N 3.31Å; N108-L110 PolarHBondContact O-N 2.84Å; L110-K113 PolarHBondContact O-N 3.49Å; L110-L114 HydrophobicContact CD1-CD1 3.97Å; L110-L114 HydrophobicContact CD1-CG 4.3Å; L110-L114 HydrophobicContact CG-CD1 3.93Å; L110-L114 VanDerWaalsContact O-CG 3.28Å; L110-L114 WeakPolarHBondContact O-CG 3.29Å; L110-L114 PolarHBondContact O-N 2.86Å
111K92.3Very high89.4Confident78 Ų7871.3 Ų71.334%0.33939%0.386SS..Hα-helixtrans-60.8-50.5177.2177.6-177.1172.6-167.60110.5L107 N108 K113 L114 E115 F122L107-K111 WeakPolarHBondContact O-CB 3.36Å; L107-K111 PolarHBondContact O-N 2.68Å; N108-K111 WeakPolarHBondContact O-CB 3.46Å; N108-K111 PolarHBondContact O-N 2.85Å; N108-K111 VanDerWaalsContact O-N 3.15Å; K111-K113 VanDerWaalsContact C-N 3.27Å; K111-K113 PolarHBondContact O-N 3.48Å; K111-L114 PolarHBondContact O-N 3Å; K111-L114 VanDerWaalsContact O-N 3.07Å; K111-E115 VanDerWaalsContact CE-CD 3.46Å; K111-E115 WeakPolarHBondContact CE-OE1 3.44Å; K111-E115 HydrophobicContact CG-CG 4.37Å; K111-E115 IonicContact NZ-OE1 3.64Å; K111-E115 PolarHBondContact O-N 3.36Å; K111-F122 HydrophobicContact CB-CD1 4.09Å; K111-F122 HydrophobicContact CB-CE1 3.9Å; K111-F122 HydrophobicContact CB-CZ 4.27Å; K111-F122 HydrophobicContact CD-CD1 4.03Å; K111-F122 HydrophobicContact CD-CE1 3.93Å; K111-F122 HydrophobicContact CG-CD1 3.63Å; K111-F122 HydrophobicContact CG-CE1 3.79Å; K111-F122 HydrophobicContact CG-CG 4.33Å
112D92Very high90.1Very high98 Ų9867.3 Ų67.352%0.52437%0.367SS..Hα-helixtrans-59.3-40.7180-59.4-20.9000111.2N108 E109 L114 A116N108-D112 PolarHBondContact O-N 2.92Å; E109-D112 PolarHBondContact O-N 3.11Å; D112-L114 VanDerWaalsContact C-N 3.34Å; D112-L114 PolarHBondContact O-N 3.04Å; D112-A116 PolarHBondContact O-N 3.12Å
113K89.7Confident90.7Very high73 Ų7369.6 Ų69.632%0.31737%0.365SS..Hα-helixtrans-63.9-35.2176.2-173.1178.6-177.51780113.2Q91 L105 E109 L110 K111Q91-K113 PolarHBondContact O-NZ 3.13Å; L105-K113 HydrophobicContact CD1-CD 3.95Å; E109-K113 VanDerWaalsContact O-CB 3.3Å; E109-K113 WeakPolarHBondContact O-CB 3.5Å; E109-K113 PolarHBondContact O-N 2.7Å; L110-K113 PolarHBondContact O-N 3.49Å; K111-K113 VanDerWaalsContact C-N 3.27Å; K111-K113 PolarHBondContact O-N 3.48Å
114L91.2Very high91Very high1 Ų168 Ų681%0.00536%0.362CS..Hα-helixtrans-80.6-37.7179.8-71.3166.7000112.3I80 L83 L92 L110 K111 D112 A116 M117 V120 F122I80-L114 HydrophobicContact CD1-CD1 3.48Å; I80-L114 VanDerWaalsContact CD1-CD1 3.48Å; I80-L114 HydrophobicContact CD1-CD2 4.23Å; I80-L114 HydrophobicContact CG1-CD1 3.85Å; I80-L114 HydrophobicContact CG2-CD1 4.37Å; I80-L114 HydrophobicContact CG2-CD2 4.05Å; L83-L114 HydrophobicContact CD1-CD2 4.38Å; L92-L114 HydrophobicContact CD1-CD2 4.06Å; L92-L114 HydrophobicContact CD2-CD2 3.77Å; L110-L114 HydrophobicContact CD1-CD1 3.97Å; L110-L114 HydrophobicContact CD1-CG 4.3Å; L110-L114 HydrophobicContact CG-CD1 3.93Å; L110-L114 VanDerWaalsContact O-CG 3.28Å; L110-L114 WeakPolarHBondContact O-CG 3.29Å; L110-L114 PolarHBondContact O-N 2.86Å; K111-L114 PolarHBondContact O-N 3Å; K111-L114 VanDerWaalsContact O-N 3.07Å; D112-L114 VanDerWaalsContact C-N 3.34Å; D112-L114 PolarHBondContact O-N 3.04Å; L114-A116 PolarHBondContact O-N 3.41Å; L114-M117 WeakPolarHBondContact O-CB 3.4Å; L114-M117 PolarHBondContact O-N 3.4Å; L114-V120 HydrophobicContact CB-CG1 4.47Å; L114-V120 HydrophobicContact CD2-CG1 3.98Å; L114-F122 HydrophobicContact CB-CB 4.34Å; L114-F122 HydrophobicContact CD1-CB 4.32Å; L114-F122 HydrophobicContact CD1-CD2 3.53Å; L114-F122 HydrophobicContact CD1-CE2 4.25Å; L114-F122 HydrophobicContact CD1-CG 4.27Å
115E88Confident91.2Very high116 Ų11665.2 Ų65.254%0.54235%0.345SS..Hα-helixtrans-64.8-23.7175.4-72.5-178.2165.300112.2K111 M117K111-E115 VanDerWaalsContact CE-CD 3.46Å; K111-E115 WeakPolarHBondContact CE-OE1 3.44Å; K111-E115 HydrophobicContact CG-CG 4.37Å; K111-E115 IonicContact NZ-OE1 3.64Å; K111-E115 PolarHBondContact O-N 3.36Å; E115-M117 VanDerWaalsContact C-N 3.29Å; E115-M117 PolarHBondContact O-N 3.45Å
116A88.6Confident91.1Very high86 Ų8672.6 Ų72.671%0.71138%0.384SS*.THydrogen-bonded Turntrans-74.8-12171.800000114.4D112 L114D112-A116 PolarHBondContact O-N 3.12Å; L114-A116 PolarHBondContact O-N 3.41Å
117M89.7Confident91Very high58 Ų5872.8 Ų72.829%0.28639%0.386SS..SBendtrans-94115.7177.8-65.5-176.2175.700110.5L83 L92 L114 E115 G119 V120L83-M117 HydrophobicContact CD1-SD 4.29Å; L92-M117 HydrophobicContact CD2-CE 4.11Å; L92-M117 HydrophobicContact CD2-SD 4.42Å; L114-M117 WeakPolarHBondContact O-CB 3.4Å; L114-M117 PolarHBondContact O-N 3.4Å; E115-M117 VanDerWaalsContact C-N 3.29Å; E115-M117 PolarHBondContact O-N 3.45Å; M117-G119 PolarHBondContact O-N 3.23Å; M117-V120 HydrophobicContact CB-CB 4.01Å; M117-V120 HydrophobicContact CB-CG2 3.62Å; M117-V120 PolarHBondContact O-N 3.18Å; M117-V120 HydrophobicContact SD-CG2 4.46Å
118E85.9Confident91Very high198 Ų19874.2 Ų74.293%0.92539%0.394SS*.THydrogen-bonded Turntrans-58.3134.5177.4-75.1-172.5163.600112.1V120E118-V120 VanDerWaalsContact C-N 3.27Å; E118-V120 PolarHBondContact O-N 3Å
119G86.4Confident90.9Very high68 Ų6871.6 Ų71.670%0.70138%0.381SS*.THydrogen-bonded Turntrans81.2-7.5179.700000115.5M117M117-G119 PolarHBondContact O-N 3.23Å
120V92.3Very high90.9Very high15 Ų1572.8 Ų72.89%0.09139%0.39CS..  trans-89.6128179.1-176.60000110.5I80 Q81 L83 L114 M117 E118I80-V120 HydrophobicContact CG2-CG1 3.56Å; Q81-V120 WeakPolarHBondContact O-CA 3.43Å; L83-V120 HydrophobicContact CD1-CG2 4.45Å; L114-V120 HydrophobicContact CB-CG1 4.47Å; L114-V120 HydrophobicContact CD2-CG1 3.98Å; M117-V120 HydrophobicContact CB-CB 4.01Å; M117-V120 HydrophobicContact CB-CG2 3.62Å; M117-V120 PolarHBondContact O-N 3.18Å; M117-V120 HydrophobicContact SD-CG2 4.46Å; E118-V120 VanDerWaalsContact C-N 3.27Å; E118-V120 PolarHBondContact O-N 3Å
121Q91.8Very high91.1Very high130 Ų13072.8 Ų72.861%0.60739%0.39SS*.EExtended strand (participates in β ladder)trans-108.1120.4177.6-64.5-177.63.700110.5I80 Q81I80-Q121 CarbonylContact C-O 3.48Å; I80-Q121 VanDerWaalsContact CA-O 3.29Å; I80-Q121 WeakPolarHBondContact CA-O 3.43Å; Q81-Q121 HydrophobicContact CB-CB 4.46Å; Q81-Q121 PolarHBondContact N-O 3.05Å; Q81-Q121 PolarHBondContact O-N 3.06Å
122F94.3Very high91.2Very high32 Ų3269 Ų6914%0.1437%0.374CS..EExtended strand (participates in β ladder)trans-101.5129.7171.3177.3-92.8000110.8F78 I80 L107 K111 L114 Q124F78-F122 HydrophobicContact CB-CE2 3.85Å; F78-F122 HydrophobicContact CB-CZ 3.91Å; F78-F122 HydrophobicContact CD2-CD2 4.39Å; F78-F122 AromaticContact CD2-CE2 3.71Å; F78-F122 HydrophobicContact CD2-CE2 3.71Å; F78-F122 AromaticContact CG-CE2 3.92Å; F78-F122 HydrophobicContact CG-CE2 3.92Å; F78-F122 HydrophobicContact CG-CZ 4.33Å; I80-F122 HydrophobicContact CG1-CD2 4.14Å; L107-F122 HydrophobicContact CD1-CE2 4.35Å; L107-F122 HydrophobicContact CD1-CZ 3.97Å; L107-F122 HydrophobicContact CG-CZ 4.41Å; K111-F122 HydrophobicContact CB-CD1 4.09Å; K111-F122 HydrophobicContact CB-CE1 3.9Å; K111-F122 HydrophobicContact CB-CZ 4.27Å; K111-F122 HydrophobicContact CD-CD1 4.03Å; K111-F122 HydrophobicContact CD-CE1 3.93Å; K111-F122 HydrophobicContact CG-CD1 3.63Å; K111-F122 HydrophobicContact CG-CE1 3.79Å; K111-F122 HydrophobicContact CG-CG 4.33Å; L114-F122 HydrophobicContact CB-CB 4.34Å; L114-F122 HydrophobicContact CD1-CB 4.32Å; L114-F122 HydrophobicContact CD1-CD2 3.53Å; L114-F122 HydrophobicContact CD1-CE2 4.25Å; L114-F122 HydrophobicContact CD1-CG 4.27Å; F122-Q124 HydrophobicContact CE1-CB 3.97Å; F122-Q124 HydrophobicContact CZ-CB 4.32Å
123K94.1Very high91.2Very high109 Ų10965.4 Ų65.447%0.47436%0.356SS..EExtended strand (participates in β ladder)trans-131.8119.6176.5-171170.8178.8178.50110.8F78 A79 F125F78-K123 CarbonylContact C-O 3.52Å; F78-K123 WeakPolarHBondContact CA-O 3.46Å; F78-K123 WeakPolarHBondContact CB-O 3.46Å; A79-K123 PolarHBondContact N-O 3.31Å; A79-K123 PolarHBondContact O-N 3.39Å; K123-F125 HydrophobicContact CB-CE2 4.22Å; K123-F125 HydrophobicContact CB-CZ 4.31Å; K123-F125 HydrophobicContact CD-CE1 3.94Å; K123-F125 HydrophobicContact CD-CE2 4.31Å; K123-F125 HydrophobicContact CD-CZ 3.59Å; K123-F125 HydrophobicContact CG-CE1 4.21Å; K123-F125 HydrophobicContact CG-CE2 3.97Å; K123-F125 HydrophobicContact CG-CZ 3.74Å; K123-F125 WeakPolarHBondContact O-CE2 3.5Å
124Q94.2Very high91.3Very high77 Ų7763.1 Ų63.136%0.3635%0.347SS..EExtended strand (participates in β ladder)trans-94.7145.6171.3-173.7-175.2-28.500110.1L107 F122L107-Q124 HydrophobicContact CD2-CG 4.48Å; F122-Q124 HydrophobicContact CE1-CB 3.97Å; F122-Q124 HydrophobicContact CZ-CB 4.32Å
125F94.7Very high91.4Very high10 Ų1063.1 Ų63.14%0.04435%0.347CS..  trans-117134.5-179.4-61.3-93.5000111.4P77 A79 K123 D130 Y131 L134P77-F125 HydrophobicContact CG-CB 4.15Å; P77-F125 PolarHBondContact O-N 3.16Å; A79-F125 HydrophobicContact CB-CE2 3.94Å; K123-F125 HydrophobicContact CB-CE2 4.22Å; K123-F125 HydrophobicContact CB-CZ 4.31Å; K123-F125 HydrophobicContact CD-CE1 3.94Å; K123-F125 HydrophobicContact CD-CE2 4.31Å; K123-F125 HydrophobicContact CD-CZ 3.59Å; K123-F125 HydrophobicContact CG-CE1 4.21Å; K123-F125 HydrophobicContact CG-CE2 3.97Å; K123-F125 HydrophobicContact CG-CZ 3.74Å; K123-F125 WeakPolarHBondContact O-CE2 3.5Å; F125-D130 HydrophobicContact CD1-CB 3.76Å; F125-D130 HydrophobicContact CE1-CB 4.32Å; F125-Y131 AromaticContact CD2-CD2 3.64Å; F125-Y131 HydrophobicContact CD2-CD2 3.64Å; F125-Y131 HydrophobicContact CD2-CG 4.39Å; F125-Y131 AromaticContact CE2-CD2 3.87Å; F125-Y131 HydrophobicContact CE2-CD2 3.87Å; F125-Y131 HydrophobicContact CG-CD2 4.22Å; F125-L134 HydrophobicContact CE1-CB 4.18Å; F125-L134 HydrophobicContact CE2-CD2 3.98Å; F125-L134 HydrophobicContact CZ-CB 3.88Å; F125-L134 HydrophobicContact CZ-CD1 4.3Å; F125-L134 HydrophobicContact CZ-CD2 3.51Å; F125-L134 HydrophobicContact CZ-CG 4.07Å
126N89.2Confident91.6Very high162 Ų16257.6 Ų57.687%0.86632%0.321SS*.SBendtrans-90.9-20.2172.7-64.8-27.9000112.1
127S89.8Confident91.7Very high40 Ų4056.6 Ų56.628%0.2830%0.304SS..  trans-118.1132.7179.7172.80000110.3T129 D130 Y131S127-T129 PolarHBondContact O-N 2.82Å; S127-T129 PolarHBondContact OG-N 3.19Å; S127-D130 WeakPolarHBondContact CB-OD2 3.31Å; S127-D130 PolarHBondContact O-N 3.05Å; S127-Y131 PolarHBondContact O-N 3.45Å
128I90Very high91.7Very high44 Ų4454.7 Ų54.723%0.22630%0.295CS..Hα-helixtrans-61.6-35173.3-61.4168.9000110.2P10 D11 D130 Y131 H132P10-I128 HydrophobicContact CG-CG2 4.28Å; P10-I128 VanDerWaalsContact O-CD1 3.22Å; P10-I128 WeakPolarHBondContact O-CD1 3.28Å; D11-I128 HydrophobicContact CB-CD1 4.13Å; I128-D130 VanDerWaalsContact C-N 3.34Å; I128-D130 PolarHBondContact O-N 3.33Å; I128-Y131 WeakPolarHBondContact O-CB 3.38Å; I128-Y131 PolarHBondContact O-N 2.9Å; I128-H132 VanDerWaalsContact CG2-CE1 3.48Å; I128-H132 WeakPolarHBondContact CG2-CE1 3.41Å; I128-H132 PolarHBondContact O-N 3.22Å
129T91.6Very high91.8Very high42 Ų4245.3 Ų45.326%0.25825%0.251SS..Hα-helixtrans-63.9-38.8179.8-49.40000112.1S127 S133S127-T129 PolarHBondContact O-N 2.82Å; S127-T129 PolarHBondContact OG-N 3.19Å; T129-S133 WeakPolarHBondContact O-CB 3.42Å; T129-S133 PolarHBondContact O-N 3.41Å; T129-S133 PolarHBondContact O-OG 3.4Å
130D92.8Very high92Very high91 Ų9142.2 Ų42.249%0.48722%0.219SC..Hα-helixtrans-71.2-37.3178.1-62.2-15.7000111F125 S127 I128 S133 L134F125-D130 HydrophobicContact CD1-CB 3.76Å; F125-D130 HydrophobicContact CE1-CB 4.32Å; S127-D130 WeakPolarHBondContact CB-OD2 3.31Å; S127-D130 PolarHBondContact O-N 3.05Å; I128-D130 VanDerWaalsContact C-N 3.34Å; I128-D130 PolarHBondContact O-N 3.33Å; D130-S133 PolarHBondContact O-N 3.31Å; D130-L134 PolarHBondContact O-N 3.35Å
131Y95.3Very high91.9Very high0 Ų041.7 Ų41.70%022%0.215CC..Hα-helixtrans-62.3-47.9173.8177.7-112000111.6A7 P10 V59 P77 F78 F125 S127 I128 S133 L134 M135A7-Y131 WeakPolarHBondContact O-CE1 3.42Å; A7-Y131 PolarHBondContact O-OH 3.17Å; P10-Y131 HydrophobicContact CG-CD1 3.75Å; P10-Y131 HydrophobicContact CG-CE1 3.78Å; V59-Y131 HydrophobicContact CB-CE2 4.14Å; V59-Y131 WeakPolarHBondContact CB-OH 3.34Å; V59-Y131 HydrophobicContact CG1-CE2 4.49Å; P77-Y131 HydrophobicContact CB-CD1 4.02Å; P77-Y131 HydrophobicContact CB-CD2 3.75Å; P77-Y131 HydrophobicContact CB-CE1 4.22Å; P77-Y131 HydrophobicContact CB-CE2 3.97Å; P77-Y131 HydrophobicContact CB-CG 3.75Å; P77-Y131 HydrophobicContact CG-CG 4.38Å; F78-Y131 WeakPolarHBondContact O-CE2 3.47Å; F125-Y131 AromaticContact CD2-CD2 3.64Å; F125-Y131 HydrophobicContact CD2-CD2 3.64Å; F125-Y131 HydrophobicContact CD2-CG 4.39Å; F125-Y131 AromaticContact CE2-CD2 3.87Å; F125-Y131 HydrophobicContact CE2-CD2 3.87Å; F125-Y131 HydrophobicContact CG-CD2 4.22Å; S127-Y131 PolarHBondContact O-N 3.45Å; I128-Y131 WeakPolarHBondContact O-CB 3.38Å; I128-Y131 PolarHBondContact O-N 2.9Å; Y131-S133 VanDerWaalsContact C-N 3.33Å; Y131-S133 PolarHBondContact O-N 3.4Å; Y131-L134 WeakPolarHBondContact O-CB 2.96Å; Y131-L134 PolarHBondContact O-N 3.48Å; Y131-M135 HydrophobicContact CD1-SD 3.81Å; Y131-M135 HydrophobicContact CE1-CG 4.43Å; Y131-M135 HydrophobicContact CE1-SD 3.32Å; Y131-M135 WeakPolarHBondContact CE1-SD 3.47Å; Y131-M135 HydrophobicContact CE2-SD 4.36Å; Y131-M135 WeakPolarHBondContact O-CG 3.46Å; Y131-M135 PolarHBondContact O-N 3.39Å
132H94.2Very high91.6Very high0 Ų035.9 Ų35.90%019%0.189CC..Hα-helixtrans-66.2-33.4175.7-73.3155.9000113L8 I128 M135 F136 I141 L145L8-H132 PolarHBondContact O-CD2 3.02Å; L8-H132 PolarHBondContact O-NE2 3.46Å; I128-H132 VanDerWaalsContact CG2-CE1 3.48Å; I128-H132 WeakPolarHBondContact CG2-CE1 3.41Å; I128-H132 PolarHBondContact O-N 3.22Å; H132-M135 PolarHBondContact O-N 3.41Å; H132-F136 WeakPolarHBondContact O-CB 3.14Å; H132-F136 PolarHBondContact O-N 3.18Å; H132-I141 HydrophobicContact CB-CD1 4.22Å; H132-L145 HydrophobicContact CB-CB 4.1Å
133S91.7Very high91.2Very high22 Ų2236 Ų3615%0.15419%0.189CC..Hα-helixtrans-62.4-44.8173.4-63.40000111.2T129 D130 Y131 F136 D137T129-S133 WeakPolarHBondContact O-CB 3.42Å; T129-S133 PolarHBondContact O-N 3.41Å; T129-S133 PolarHBondContact O-OG 3.4Å; D130-S133 PolarHBondContact O-N 3.31Å; Y131-S133 VanDerWaalsContact C-N 3.33Å; Y131-S133 PolarHBondContact O-N 3.4Å; S133-F136 WeakPolarHBondContact O-CB 3.47Å; S133-F136 PolarHBondContact O-N 3.27Å; S133-D137 VanDerWaalsContact O-CG 3.25Å; S133-D137 PolarHBondContact O-N 3.42Å
134L91.9Very high90.9Very high25 Ų2534.1 Ų34.113%0.13118%0.179CC..Hα-helixtrans-60.3-47.7174.1-172.688.5000111.6A79 F125 D130 Y131 F136 D137 L138A79-L134 HydrophobicContact CB-CD2 3.4Å; A79-L134 VanDerWaalsContact CB-CD2 3.4Å; F125-L134 HydrophobicContact CE1-CB 4.18Å; F125-L134 HydrophobicContact CE2-CD2 3.98Å; F125-L134 HydrophobicContact CZ-CB 3.88Å; F125-L134 HydrophobicContact CZ-CD1 4.3Å; F125-L134 HydrophobicContact CZ-CD2 3.51Å; F125-L134 HydrophobicContact CZ-CG 4.07Å; D130-L134 PolarHBondContact O-N 3.35Å; Y131-L134 WeakPolarHBondContact O-CB 2.96Å; Y131-L134 PolarHBondContact O-N 3.48Å; L134-F136 VanDerWaalsContact C-N 3.26Å; L134-F136 PolarHBondContact O-N 3.34Å; L134-D137 PolarHBondContact O-N 3.31Å; L134-L138 HydrophobicContact CD1-CD1 4.27Å; L134-L138 HydrophobicContact CD2-CD1 4Å; L134-L138 HydrophobicContact CG-CD1 3.79Å; L134-L138 HydrophobicContact CG-CG 4.44Å; L134-L138 WeakPolarHBondContact O-CB 3.44Å; L134-L138 WeakPolarHBondContact O-CG 3.29Å; L134-L138 PolarHBondContact O-N 3.42Å
135M93.3Very high90.6Very high0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-59.9-38.6178.5-72.5178.676.100111.9L8 V59 Y131 H132 G139 I140 I141L8-M135 HydrophobicContact CD2-CE 3.57Å; V59-M135 HydrophobicContact CG1-CG 4.32Å; V59-M135 HydrophobicContact CG2-CE 4.31Å; Y131-M135 HydrophobicContact CD1-SD 3.81Å; Y131-M135 HydrophobicContact CE1-CG 4.43Å; Y131-M135 HydrophobicContact CE1-SD 3.32Å; Y131-M135 WeakPolarHBondContact CE1-SD 3.47Å; Y131-M135 HydrophobicContact CE2-SD 4.36Å; Y131-M135 WeakPolarHBondContact O-CG 3.46Å; Y131-M135 PolarHBondContact O-N 3.39Å; H132-M135 PolarHBondContact O-N 3.41Å; M135-G139 PolarHBondContact O-N 2.99Å; M135-I140 HydrophobicContact CB-CB 4.1Å; M135-I140 HydrophobicContact CE-CB 4.17Å; M135-I140 HydrophobicContact CE-CG2 3.47Å; M135-I140 VanDerWaalsContact CE-CG2 3.47Å; M135-I140 HydrophobicContact CG-CB 4.43Å; M135-I140 HydrophobicContact CG-CD1 4.3Å; M135-I140 PolarHBondContact O-N 3.24Å; M135-I141 HydrophobicContact CB-CD1 4.02Å; M135-I141 HydrophobicContact CB-CG1 3.99Å; M135-I141 HydrophobicContact CE-CG2 3.85Å; M135-I141 PolarHBondContact O-N 2.9Å
136F91.9Very high90.1Very high0 Ų036.3 Ų36.30%018%0.184CC..Hα-helixtrans-63.9-53.3174.8176.2-99.7000110.6H132 S133 L134 L138 G139 I141 A142 R143 R144 L1349 R1350H132-F136 WeakPolarHBondContact O-CB 3.14Å; H132-F136 PolarHBondContact O-N 3.18Å; S133-F136 WeakPolarHBondContact O-CB 3.47Å; S133-F136 PolarHBondContact O-N 3.27Å; L134-F136 VanDerWaalsContact C-N 3.26Å; L134-F136 PolarHBondContact O-N 3.34Å; F136-L138 PolarHBondContact O-N 3.37Å; F136-G139 PolarHBondContact O-N 2.89Å; F136-I141 HydrophobicContact CB-CD1 4.38Å; F136-I141 HydrophobicContact CB-CG1 4.08Å; F136-A142 WeakPolarHBondContact CE2-O 3.4Å; F136-R143 VanDerWaalsContact CD2-C 3.43Å; F136-R144 HydrophobicContact CB-CB 4.29Å; F136-R144 HydrophobicContact CB-CG 4.13Å; F136-R144 HydrophobicContact CD1-CB 3.83Å; F136-R144 HydrophobicContact CD1-CG 3.63Å; F136-R144 HydrophobicContact CD2-CB 3.88Å; F136-R144 HydrophobicContact CD2-CG 4.49Å; F136-R144 HydrophobicContact CE1-CB 4.1Å; F136-R144 HydrophobicContact CE1-CG 4.16Å; F136-R144 HydrophobicContact CE2-CB 4.14Å; F136-R144 HydrophobicContact CG-CB 3.71Å; F136-R144 HydrophobicContact CG-CG 3.81Å; F136-R144 HydrophobicContact CZ-CB 4.25Å; F136-L1349 HydrophobicContact CE1-CB 4.32Å; F136-L1349 HydrophobicContact CZ-CB 4.18Å; F136-R1350 HydrophobicContact CE1-CB 4.16Å; F136-R1350 HydrophobicContact CZ-CB 4.06Å; F136-R1350 PolarHBondContact O-NH1 3.45Å; F136-R1350 PolarHBondContact O-NH2 3.33Å
137D90Very high89.9Confident66 Ų6630.6 Ų30.635%0.35316%0.156SC..Hα-helixtrans-60.7-31.2-177.6-65.8-22.4000112.9S133 L134S133-D137 VanDerWaalsContact O-CG 3.25Å; S133-D137 PolarHBondContact O-N 3.42Å; L134-D137 PolarHBondContact O-N 3.31Å
138L90Very high89.6Confident18 Ų1831.7 Ų31.79%0.09417%0.167CC..THydrogen-bonded Turntrans-87.7-5.3178.6-66.1175.5000114.7N51 V57 L134 F136 I140N51-L138 VanDerWaalsContact CB-O 3.26Å; N51-L138 WeakPolarHBondContact CB-O 3.46Å; N51-L138 PolarHBondContact ND2-O 3.38Å; V57-L138 HydrophobicContact CG1-CD1 3.82Å; V57-L138 HydrophobicContact CG2-CD1 4.11Å; L134-L138 HydrophobicContact CD1-CD1 4.27Å; L134-L138 HydrophobicContact CD2-CD1 4Å; L134-L138 HydrophobicContact CG-CD1 3.79Å; L134-L138 HydrophobicContact CG-CG 4.44Å; L134-L138 WeakPolarHBondContact O-CB 3.44Å; L134-L138 WeakPolarHBondContact O-CG 3.29Å; L134-L138 PolarHBondContact O-N 3.42Å; F136-L138 PolarHBondContact O-N 3.37Å; L138-I140 HydrophobicContact CB-CD1 4.49Å; L138-I140 HydrophobicContact CB-CG1 4.4Å
139G89.1Confident89.4Confident1 Ų132.9 Ų32.91%0.0118%0.18CC..THydrogen-bonded Turntrans83.122.2179.400000115.3M135 F136 P1356 C1357M135-G139 PolarHBondContact O-N 2.99Å; F136-G139 PolarHBondContact O-N 2.89Å; G139-P1356 CarbonylContact O-C 3.57Å; G139-P1356 VanDerWaalsContact O-CA 3.31Å; G139-P1356 WeakPolarHBondContact O-CA 3.48Å; G139-C1357 PolarHBondContact O-N 2.95Å; G139-C1357 PolarHBondContact O-SG 3.4Å; G139-C1357 VanDerWaalsContact O-SG 3.35Å
140I90.1Very high89.1Confident3 Ų331.9 Ų31.92%0.01517%0.173CC..SBendtrans-84.3-28.9176.5-55174.4000111.2L8 T49 V57 V59 M135 L138L8-I140 HydrophobicContact CD2-CG2 4.42Å; T49-I140 HydrophobicContact CG2-CG2 4.39Å; V57-I140 HydrophobicContact CB-CD1 4.49Å; V57-I140 HydrophobicContact CG1-CD1 4.04Å; V59-I140 HydrophobicContact CB-CD1 4.42Å; V59-I140 HydrophobicContact CG1-CD1 3.45Å; V59-I140 VanDerWaalsContact CG1-CD1 3.45Å; V59-I140 HydrophobicContact CG2-CD1 4.09Å; M135-I140 HydrophobicContact CB-CB 4.1Å; M135-I140 HydrophobicContact CE-CB 4.17Å; M135-I140 HydrophobicContact CE-CG2 3.47Å; M135-I140 VanDerWaalsContact CE-CG2 3.47Å; M135-I140 HydrophobicContact CG-CB 4.43Å; M135-I140 HydrophobicContact CG-CD1 4.3Å; M135-I140 PolarHBondContact O-N 3.24Å; L138-I140 HydrophobicContact CB-CD1 4.49Å; L138-I140 HydrophobicContact CB-CG1 4.4Å
141I90.1Very high88.9Confident4 Ų429.1 Ų29.12%0.02116%0.156CC..  trans-129.6150.5175.661179000111.3L8 H132 M135 F136 R143 L145 F154 R1350L8-I141 HydrophobicContact CD2-CG2 4.16Å; H132-I141 HydrophobicContact CB-CD1 4.22Å; M135-I141 HydrophobicContact CB-CD1 4.02Å; M135-I141 HydrophobicContact CB-CG1 3.99Å; M135-I141 HydrophobicContact CE-CG2 3.85Å; M135-I141 PolarHBondContact O-N 2.9Å; F136-I141 HydrophobicContact CB-CD1 4.38Å; F136-I141 HydrophobicContact CB-CG1 4.08Å; I141-R143 VanDerWaalsContact CD1-O 3.24Å; I141-R143 WeakPolarHBondContact CD1-O 3.5Å; I141-L145 HydrophobicContact CD1-CD1 3.9Å; I141-L145 HydrophobicContact CD1-CG 4.02Å; I141-F154 HydrophobicContact CG2-CE1 4.15Å; I141-F154 HydrophobicContact CG2-CZ 3.94Å; I141-R1350 PolarHBondContact O-NH2 3.49Å
142A85.4Confident88.5Confident8 Ų830.4 Ų30.47%0.06617%0.165CC..SBendtrans-78.3-23.9-177.100000114.2F136 V1339 S1346 P1356F136-A142 WeakPolarHBondContact CE2-O 3.4Å; A142-V1339 HydrophobicContact CB-CG1 4.46Å; A142-S1346 WeakPolarHBondContact O-CB 3.28Å; A142-S1346 PolarHBondContact O-OG 2.71Å; A142-P1356 HydrophobicContact CB-CB 4.17Å; A142-P1356 HydrophobicContact CB-CG 4.3Å
143R86.6Confident88.1Confident33 Ų3332.4 Ų32.413%0.12517%0.174CC..SBendtrans-127.2144.6-174.8-175.6174.7174.3135.93.8111.6F136 I141 L145 D150 W1342 E1345F136-R143 VanDerWaalsContact CD2-C 3.43Å; I141-R143 VanDerWaalsContact CD1-O 3.24Å; I141-R143 WeakPolarHBondContact CD1-O 3.5Å; R143-L145 VanDerWaalsContact C-N 3.25Å; R143-L145 HydrophobicContact CB-CD2 4.33Å; R143-L145 HydrophobicContact CG-CD2 4.35Å; R143-L145 PolarHBondContact O-N 3.41Å; R143-L145 VanDerWaalsContact O-N 3.1Å; R143-D150 IonicContact CZ-OD1 3.51Å; R143-D150 IonicContact NE-OD1 2.73Å; R143-D150 PolarHBondContact NE-OD1 3.42Å; R143-D150 IonicContact NH2-OD1 3.55Å; R143-D150 PolarHBondContact NH2-OD1 3.19Å; R143-W1342 HydrophobicContact CB-CB 4.42Å; R143-W1342 HydrophobicContact CB-CD2 4.22Å; R143-W1342 HydrophobicContact CB-CE3 3.72Å; R143-W1342 HydrophobicContact CB-CZ3 4.25Å; R143-W1342 HydrophobicContact CG-CE3 4.37Å; R143-W1342 VanDerWaalsContact NH1-NE1 3.19Å; R143-E1345 IonicContact NH1-OE2 3.15Å
144R86.3Confident88Confident71 Ų7132.3 Ų32.327%0.26817%0.17SC..  trans-78.419.4-173.1-160.4171.2175.5170.11.2116.4F136 R146F136-R144 HydrophobicContact CB-CB 4.29Å; F136-R144 HydrophobicContact CB-CG 4.13Å; F136-R144 HydrophobicContact CD1-CB 3.83Å; F136-R144 HydrophobicContact CD1-CG 3.63Å; F136-R144 HydrophobicContact CD2-CB 3.88Å; F136-R144 HydrophobicContact CD2-CG 4.49Å; F136-R144 HydrophobicContact CE1-CB 4.1Å; F136-R144 HydrophobicContact CE1-CG 4.16Å; F136-R144 HydrophobicContact CE2-CB 4.14Å; F136-R144 HydrophobicContact CG-CB 3.71Å; F136-R144 HydrophobicContact CG-CG 3.81Å; F136-R144 HydrophobicContact CZ-CB 4.25Å; R144-R146 VanDerWaalsContact C-N 3.3Å; R144-R146 HydrophobicContact CB-CG 4.48Å; R144-R146 HydrophobicContact CG-CG 4.3Å; R144-R146 WeakPolarHBondContact O-CG 3.45Å; R144-R146 PolarHBondContact O-N 3.12Å
145L88.6Confident87.7Confident1 Ų131.9 Ų31.91%0.00517%0.167CC..  trans14.455177-49-178.4000118.5H132 I141 R143 D150 R151 F154H132-L145 HydrophobicContact CB-CB 4.1Å; I141-L145 HydrophobicContact CD1-CD1 3.9Å; I141-L145 HydrophobicContact CD1-CG 4.02Å; R143-L145 VanDerWaalsContact C-N 3.25Å; R143-L145 HydrophobicContact CB-CD2 4.33Å; R143-L145 HydrophobicContact CG-CD2 4.35Å; R143-L145 PolarHBondContact O-N 3.41Å; R143-L145 VanDerWaalsContact O-N 3.1Å; L145-D150 HydrophobicContact CB-CB 4.43Å; L145-D150 HydrophobicContact CD2-CB 4.09Å; L145-R151 HydrophobicContact CB-CG 4.05Å; L145-F154 HydrophobicContact CD1-CB 4.22Å; L145-F154 HydrophobicContact CD1-CD1 3.4Å; L145-F154 VanDerWaalsContact CD1-CD1 3.4Å; L145-F154 HydrophobicContact CD1-CE1 3.98Å; L145-F154 HydrophobicContact CD1-CG 4.03Å; L145-F154 HydrophobicContact CD2-CB 3.58Å; L145-F154 HydrophobicContact CD2-CD1 4.25Å; L145-F154 HydrophobicContact CD2-CG 4Å; L145-F154 HydrophobicContact CG-CD1 4.44Å
146R84.2Confident87.3Confident132 Ų13237.1 Ų37.150%0.49819%0.187SC..  trans-74.6-38.7-170.1-56.9-172.3-146.8-161.17.8112.1R144 D150R144-R146 VanDerWaalsContact C-N 3.3Å; R144-R146 HydrophobicContact CB-CG 4.48Å; R144-R146 HydrophobicContact CG-CG 4.3Å; R144-R146 WeakPolarHBondContact O-CG 3.45Å; R144-R146 PolarHBondContact O-N 3.12Å; R146-D150 PolarHBondContact N-OD2 3.13Å
147S85.7Confident87Confident42 Ų4237.2 Ų37.229%0.29419%0.187SC..SBendtrans-101.2160.6-176.672.80000112.4S149 D150 R151S147-S149 PolarHBondContact O-N 2.7Å; S147-S149 PolarHBondContact OG-N 3.38Å; S147-S149 PolarHBondContact OG-OG 3.07Å; S147-D150 WeakPolarHBondContact CB-OD2 3.4Å; S147-D150 PolarHBondContact N-OD2 3.49Å; S147-D150 PolarHBondContact O-N 2.75Å; S147-D150 PolarHBondContact OG-N 2.9Å; S147-D150 VanDerWaalsContact OG-N 3.09Å; S147-D150 PolarHBondContact OG-OD2 3.38Å; S147-R151 PolarHBondContact O-N 3.47Å; S147-R151 VanDerWaalsContact O-N 3.16Å
148A83.8Confident86.8Confident62 Ų6234.1 Ų34.151%0.51217%0.171SC..Hα-helixtrans-60.4-30.7170.300000112R151 S152A148-R151 PolarHBondContact O-N 2.96Å; A148-S152 WeakPolarHBondContact O-CB 3.4Å; A148-S152 PolarHBondContact O-N 3.19Å
149S84.1Confident86.3Confident69 Ų6935.2 Ų35.248%0.48318%0.175SC..Hα-helixtrans-65.6-41.9175.980.90000111.9S147 S152 K153S147-S149 PolarHBondContact O-N 2.7Å; S147-S149 PolarHBondContact OG-N 3.38Å; S147-S149 PolarHBondContact OG-OG 3.07Å; S149-S152 PolarHBondContact O-N 2.78Å; S149-K153 WeakPolarHBondContact O-CG 3.33Å; S149-K153 PolarHBondContact O-N 3.48Å
150D86Confident85.9Confident22 Ų2235.7 Ų35.712%0.11818%0.179CC..Hα-helixtrans-64-43.5176-60.7-53000111R143 L145 R146 S147 S152 K153 F154R143-D150 IonicContact CZ-OD1 3.51Å; R143-D150 IonicContact NE-OD1 2.73Å; R143-D150 PolarHBondContact NE-OD1 3.42Å; R143-D150 IonicContact NH2-OD1 3.55Å; R143-D150 PolarHBondContact NH2-OD1 3.19Å; L145-D150 HydrophobicContact CB-CB 4.43Å; L145-D150 HydrophobicContact CD2-CB 4.09Å; R146-D150 PolarHBondContact N-OD2 3.13Å; S147-D150 WeakPolarHBondContact CB-OD2 3.4Å; S147-D150 PolarHBondContact N-OD2 3.49Å; S147-D150 PolarHBondContact O-N 2.75Å; S147-D150 PolarHBondContact OG-N 2.9Å; S147-D150 VanDerWaalsContact OG-N 3.09Å; S147-D150 PolarHBondContact OG-OD2 3.38Å; D150-S152 VanDerWaalsContact C-N 3.33Å; D150-S152 PolarHBondContact O-N 3.15Å; D150-K153 PolarHBondContact O-N 3.31Å; D150-F154 WeakPolarHBondContact O-CB 3.25Å; D150-F154 PolarHBondContact O-N 2.77Å
151R89.3Confident85.5Confident32 Ų3235.5 Ų35.512%0.12118%0.178CC..Hα-helixtrans-61-42.1175.6-69.3-168.3-65-85.74.7111.7D11 L14 L145 S147 A148 F154 Y155D11-R151 IonicContact OD2-NE 3.81Å; D11-R151 PolarHBondContact OD2-NE 3.25Å; D11-R151 VanDerWaalsContact OD2-NE 3.1Å; L14-R151 HydrophobicContact CD1-CB 3.88Å; L145-R151 HydrophobicContact CB-CG 4.05Å; S147-R151 PolarHBondContact O-N 3.47Å; S147-R151 VanDerWaalsContact O-N 3.16Å; A148-R151 PolarHBondContact O-N 2.96Å; R151-F154 PolarHBondContact O-N 3.46Å; R151-Y155 VanDerWaalsContact O-CB 3.27Å; R151-Y155 WeakPolarHBondContact O-CB 3.41Å; R151-Y155 PolarHBondContact O-N 3.24Å
152S86.5Confident84.9Confident28 Ų2836 Ų3620%0.19618%0.181CC..Hα-helixtrans-64.1-43.6176-169.50000111.8A148 S149 D150 Y155 R156A148-S152 WeakPolarHBondContact O-CB 3.4Å; A148-S152 PolarHBondContact O-N 3.19Å; S149-S152 PolarHBondContact O-N 2.78Å; D150-S152 VanDerWaalsContact C-N 3.33Å; D150-S152 PolarHBondContact O-N 3.15Å; S152-Y155 PolarHBondContact O-N 3.31Å; S152-R156 WeakPolarHBondContact O-CG 3.43Å; S152-R156 PolarHBondContact O-N 3.38Å
153K86Confident84.2Confident42 Ų4238.4 Ų38.418%0.18319%0.189CC..Hα-helixtrans-61-48.2175.6-75.1-179.7-178.3-177.50111.5S149 D150 R156 L157 D176 Y177 W1342S149-K153 WeakPolarHBondContact O-CG 3.33Å; S149-K153 PolarHBondContact O-N 3.48Å; D150-K153 PolarHBondContact O-N 3.31Å; K153-R156 PolarHBondContact O-N 3.19Å; K153-L157 PolarHBondContact O-N 3.38Å; K153-D176 PolarHBondContact NZ-O 3.32Å; K153-Y177 HydrophobicContact CB-CE1 3.76Å; K153-Y177 HydrophobicContact CG-CE1 4.17Å; K153-Y177 WeakPolarHBondContact O-CE1 3.35Å; K153-Y177 PolarHBondContact O-OH 3.27Å; K153-W1342 HydrophobicContact CB-CH2 4.34Å; K153-W1342 HydrophobicContact CB-CZ2 4.29Å
154F88.1Confident83.5Confident19 Ų1937.8 Ų37.88%0.08319%0.193CC..Hα-helixtrans-63.9-42.3178.1-177.1-126.1000112.1L8 I9 I141 L145 D150 R151 R156 L157 I158 W1342L8-F154 HydrophobicContact CB-CE1 4.46Å; L8-F154 HydrophobicContact CD1-CZ 4.44Å; I9-F154 HydrophobicContact CD1-CD1 3.35Å; I9-F154 HydrophobicContact CD1-CE1 3.84Å; I9-F154 HydrophobicContact CD1-CG 4.17Å; I9-F154 HydrophobicContact CG1-CD1 3.66Å; I9-F154 HydrophobicContact CG1-CE1 3.81Å; I141-F154 HydrophobicContact CG2-CE1 4.15Å; I141-F154 HydrophobicContact CG2-CZ 3.94Å; L145-F154 HydrophobicContact CD1-CB 4.22Å; L145-F154 HydrophobicContact CD1-CD1 3.4Å; L145-F154 VanDerWaalsContact CD1-CD1 3.4Å; L145-F154 HydrophobicContact CD1-CE1 3.98Å; L145-F154 HydrophobicContact CD1-CG 4.03Å; L145-F154 HydrophobicContact CD2-CB 3.58Å; L145-F154 HydrophobicContact CD2-CD1 4.25Å; L145-F154 HydrophobicContact CD2-CG 4Å; L145-F154 HydrophobicContact CG-CD1 4.44Å; D150-F154 WeakPolarHBondContact O-CB 3.25Å; D150-F154 PolarHBondContact O-N 2.77Å; R151-F154 PolarHBondContact O-N 3.46Å; F154-R156 PolarHBondContact O-N 3.43Å; F154-L157 WeakPolarHBondContact O-CB 3.49Å; F154-L157 PolarHBondContact O-N 3.4Å; F154-I158 HydrophobicContact CD2-CG1 4.17Å; F154-I158 HydrophobicContact CE1-CG1 4.35Å; F154-I158 HydrophobicContact CE2-CD1 3.92Å; F154-I158 HydrophobicContact CE2-CG1 3.99Å; F154-I158 HydrophobicContact CZ-CD1 3.99Å; F154-I158 HydrophobicContact CZ-CG1 4.09Å; F154-I158 VanDerWaalsContact O-CG1 3.26Å; F154-I158 WeakPolarHBondContact O-CG1 3.26Å; F154-I158 PolarHBondContact O-N 3.35Å; F154-W1342 HydrophobicContact CB-CH2 4.06Å; F154-W1342 HydrophobicContact CB-CZ3 4.04Å; F154-W1342 HydrophobicContact CD2-CH2 4.31Å; F154-W1342 AromaticContact CD2-CZ3 3.62Å; F154-W1342 HydrophobicContact CD2-CZ3 3.62Å; F154-W1342 HydrophobicContact CG-CZ3 4.25Å
155Y87.4Confident82.9Confident17 Ų1735.1 Ų35.17%0.06719%0.187CC..Hα-helixtrans-59.1-47174.2173.9-92.7000111.9V5 I9 L14 H16 R151 S152 L157 I158 E159V5-Y155 HydrophobicContact CG1-CD2 4.26Å; V5-Y155 HydrophobicContact CG1-CE2 4.19Å; I9-Y155 VanDerWaalsContact CD1-CA 3.48Å; I9-Y155 HydrophobicContact CD1-CD2 4.25Å; L14-Y155 HydrophobicContact CB-CD1 4.19Å; L14-Y155 HydrophobicContact CB-CD2 3.95Å; L14-Y155 HydrophobicContact CB-CE2 4.42Å; L14-Y155 HydrophobicContact CB-CG 3.83Å; L14-Y155 HydrophobicContact CD1-CG 4.46Å; L14-Y155 HydrophobicContact CD2-CD1 4.49Å; L14-Y155 WeakPolarHBondContact O-CE1 3.13Å; L14-Y155 WeakPolarHBondContact O-CE2 3.43Å; L14-Y155 PolarHBondContact O-OH 3.11Å; L14-Y155 VanDerWaalsContact O-OH 3.08Å; H16-Y155 PolarHBondContact O-OH 3.24Å; R151-Y155 VanDerWaalsContact O-CB 3.27Å; R151-Y155 WeakPolarHBondContact O-CB 3.41Å; R151-Y155 PolarHBondContact O-N 3.24Å; S152-Y155 PolarHBondContact O-N 3.31Å; Y155-L157 VanDerWaalsContact C-N 3.3Å; Y155-L157 PolarHBondContact O-N 3.48Å; Y155-I158 PolarHBondContact O-N 3.42Å; Y155-E159 HydrophobicContact CE1-CB 4.29Å; Y155-E159 WeakPolarHBondContact O-CB 3.46Å; Y155-E159 PolarHBondContact O-N 3.26Å
156R84.6Confident82.2Confident109 Ų10935.8 Ų35.841%0.41119%0.191SC..Hα-helixtrans-62.3-35.6176.8-73.6178.9-167.81714.6112.7S152 K153 F154 A160 Y177S152-R156 WeakPolarHBondContact O-CG 3.43Å; S152-R156 PolarHBondContact O-N 3.38Å; K153-R156 PolarHBondContact O-N 3.19Å; F154-R156 PolarHBondContact O-N 3.43Å; R156-A160 VanDerWaalsContact O-CB 3.23Å; R156-A160 WeakPolarHBondContact O-CB 3.48Å; R156-A160 PolarHBondContact O-N 3.37Å; R156-Y177 WeakPolarHBondContact CB-OH 3.36Å
157L85.9Confident81.7Confident2 Ų231.1 Ų31.11%0.0118%0.178CC..Hα-helixtrans-62.4-48.9174-172.8163.4000110.4K153 F154 Y155 A160 S161 L1335 V1338 V1339 W1342K153-L157 PolarHBondContact O-N 3.38Å; F154-L157 WeakPolarHBondContact O-CB 3.49Å; F154-L157 PolarHBondContact O-N 3.4Å; Y155-L157 VanDerWaalsContact C-N 3.3Å; Y155-L157 PolarHBondContact O-N 3.48Å; L157-A160 PolarHBondContact O-N 3.45Å; L157-S161 WeakPolarHBondContact O-CB 3.34Å; L157-S161 PolarHBondContact O-N 3.21Å; L157-L1335 HydrophobicContact CD2-CD2 4.34Å; L157-L1335 HydrophobicContact CG-CD2 3.9Å; L157-V1338 HydrophobicContact CD1-CB 4.27Å; L157-V1338 HydrophobicContact CD1-CG1 3.52Å; L157-V1339 HydrophobicContact CD1-CG2 4.2Å; L157-V1339 HydrophobicContact CD2-CG2 4.21Å; L157-W1342 HydrophobicContact CD1-CE3 4.29Å; L157-W1342 HydrophobicContact CD1-CH2 3.79Å; L157-W1342 HydrophobicContact CD1-CZ2 4.19Å; L157-W1342 HydrophobicContact CD1-CZ3 3.87Å
158I83.9Confident81Confident2 Ų232.3 Ų32.31%0.0119%0.187CC..Hα-helixtrans-64.1-42.3177.7-62.3-71.5000111.1V5 L8 F154 Y155 S161 L162 F1361V5-I158 HydrophobicContact CG1-CG2 4.32Å; V5-I158 HydrophobicContact CG2-CG2 3.84Å; L8-I158 HydrophobicContact CD1-CD1 4.21Å; F154-I158 HydrophobicContact CD2-CG1 4.17Å; F154-I158 HydrophobicContact CE1-CG1 4.35Å; F154-I158 HydrophobicContact CE2-CD1 3.92Å; F154-I158 HydrophobicContact CE2-CG1 3.99Å; F154-I158 HydrophobicContact CZ-CD1 3.99Å; F154-I158 HydrophobicContact CZ-CG1 4.09Å; F154-I158 VanDerWaalsContact O-CG1 3.26Å; F154-I158 WeakPolarHBondContact O-CG1 3.26Å; F154-I158 PolarHBondContact O-N 3.35Å; Y155-I158 PolarHBondContact O-N 3.42Å; I158-S161 WeakPolarHBondContact O-CB 3.41Å; I158-S161 PolarHBondContact O-N 3.15Å; I158-L162 HydrophobicContact CG2-CD1 3.97Å; I158-L162 HydrophobicContact CG2-CG 4.45Å; I158-L162 WeakPolarHBondContact O-CB 3.47Å; I158-L162 WeakPolarHBondContact O-CD1 3.45Å; I158-L162 VanDerWaalsContact O-CG 3.24Å; I158-L162 WeakPolarHBondContact O-CG 3.45Å; I158-L162 PolarHBondContact O-N 3.25Å; I158-F1361 HydrophobicContact CD1-CD2 4.14Å; I158-F1361 HydrophobicContact CD1-CE2 3.63Å; I158-F1361 HydrophobicContact CG2-CD2 4.24Å; I158-F1361 HydrophobicContact CG2-CE2 4.3Å
159E80.4Confident80.3Confident40 Ų4031.5 Ų31.519%0.18718%0.18CC..Hα-helixtrans-60.2-47.7175.8-168.3-172.7-172.800111R18 Y155 S161 L162 Y163R18-E159 IonicContact NE-OE1 3.1Å; R18-E159 IonicContact NH2-OE1 3.12Å; Y155-E159 HydrophobicContact CE1-CB 4.29Å; Y155-E159 WeakPolarHBondContact O-CB 3.46Å; Y155-E159 PolarHBondContact O-N 3.26Å; E159-S161 VanDerWaalsContact C-N 3.34Å; E159-S161 PolarHBondContact O-N 3.23Å; E159-L162 PolarHBondContact O-N 3.16Å; E159-Y163 HydrophobicContact CG-CD2 3.81Å; E159-Y163 HydrophobicContact CG-CE2 3.58Å; E159-Y163 WeakPolarHBondContact O-CD2 3.21Å; E159-Y163 PolarHBondContact O-N 3.41Å
160A80.9Confident79.9Confident11 Ų1128.4 Ų28.49%0.09116%0.158CC..Hα-helixtrans-63.4-39.4177.100000112.3R156 L157 G164 I170 L1335R156-A160 VanDerWaalsContact O-CB 3.23Å; R156-A160 WeakPolarHBondContact O-CB 3.48Å; R156-A160 PolarHBondContact O-N 3.37Å; L157-A160 PolarHBondContact O-N 3.45Å; A160-G164 WeakPolarHBondContact O-CA 3.37Å; A160-G164 PolarHBondContact O-N 3.1Å; A160-I170 HydrophobicContact CB-CD1 3.36Å; A160-I170 HydrophobicContact CB-CG1 4.47Å; A160-L1335 HydrophobicContact CB-CD1 4.43Å; A160-L1335 HydrophobicContact CB-CD2 4.12Å
161S81.4Confident79.3Confident0 Ų029.1 Ų29.10%016%0.163CC..Hα-helixtrans-59.7-53.5173.2-172.20000110.3L157 I158 E159 Y163 G164 F1361L157-S161 WeakPolarHBondContact O-CB 3.34Å; L157-S161 PolarHBondContact O-N 3.21Å; I158-S161 WeakPolarHBondContact O-CB 3.41Å; I158-S161 PolarHBondContact O-N 3.15Å; E159-S161 VanDerWaalsContact C-N 3.34Å; E159-S161 PolarHBondContact O-N 3.23Å; S161-Y163 PolarHBondContact O-N 3.44Å; S161-G164 PolarHBondContact O-N 3.5Å; S161-G164 VanDerWaalsContact O-N 3.15Å; S161-F1361 CarbonylContact C-O 3.42Å; S161-F1361 PolarHBondContact OG-N 3.13Å; S161-F1361 PolarHBondContact OG-O 3.36Å
162L77.1Confident78.6Confident13 Ų1338 Ų387%0.06820%0.196CC..Hα-helixtrans-53.4-52-175.3-79.5163.7000113.7M1 V5 I158 E159 F1361 D1363M1-L162 HydrophobicContact CB-CD2 3.8Å; M1-L162 HydrophobicContact CE-CD2 3.64Å; M1-L162 HydrophobicContact CG-CD2 3.57Å; M1-L162 HydrophobicContact SD-CD2 3.61Å; V5-L162 HydrophobicContact CG2-CD1 3.67Å; I158-L162 HydrophobicContact CG2-CD1 3.97Å; I158-L162 HydrophobicContact CG2-CG 4.45Å; I158-L162 WeakPolarHBondContact O-CB 3.47Å; I158-L162 WeakPolarHBondContact O-CD1 3.45Å; I158-L162 VanDerWaalsContact O-CG 3.24Å; I158-L162 WeakPolarHBondContact O-CG 3.45Å; I158-L162 PolarHBondContact O-N 3.25Å; E159-L162 PolarHBondContact O-N 3.16Å; L162-F1361 HydrophobicContact CD2-CB 3.53Å; L162-F1361 HydrophobicContact CD2-CD1 4.38Å; L162-F1361 HydrophobicContact CD2-CG 4Å; L162-F1361 HydrophobicContact CG-CB 3.88Å; L162-F1361 HydrophobicContact CG-CG 4.35Å; L162-D1363 WeakPolarHBondContact O-CB 3.34Å; L162-D1363 PolarHBondContact O-N 3.41Å
163Y72.1Confident78.2Confident60 Ų6037.7 Ų37.724%0.23520%0.195CC..Hα-helixtrans-79.5-21.5-177.2-64.3-63.5000112.4R18 T20 E159 S161R18-Y163 HydrophobicContact CB-CE1 4.49Å; R18-Y163 WeakPolarHBondContact CB-OH 3.3Å; R18-Y163 PolarHBondContact N-OH 3.46Å; R18-Y163 PolarHBondContact O-OH 3.42Å; R18-Y163 VanDerWaalsContact O-OH 3.13Å; T20-Y163 HydrophobicContact CG2-CD1 4.08Å; T20-Y163 HydrophobicContact CG2-CE1 3.69Å; E159-Y163 HydrophobicContact CG-CD2 3.81Å; E159-Y163 HydrophobicContact CG-CE2 3.58Å; E159-Y163 WeakPolarHBondContact O-CD2 3.21Å; E159-Y163 PolarHBondContact O-N 3.41Å; S161-Y163 PolarHBondContact O-N 3.44Å
164G71.1Confident78Confident20 Ų2035.9 Ų35.921%0.20619%0.187CC..  trans68.8169.9-173.800000113A160 S161A160-G164 WeakPolarHBondContact O-CA 3.37Å; A160-G164 PolarHBondContact O-N 3.1Å; S161-G164 PolarHBondContact O-N 3.5Å; S161-G164 VanDerWaalsContact O-N 3.15Å
165G73.7Confident77.8Confident15 Ų1537.8 Ų37.816%0.15519%0.194CC..SBendtrans94.8173.7-178.200000113.6S167 A1327G165-S167 PolarHBondContact O-N 3.49Å; G165-A1327 CarbonylContact C-O 3.46Å; G165-A1327 WeakPolarHBondContact CA-O 3.48Å
166I73.7Confident77.5Confident15 Ų1539.3 Ų39.38%0.07720%0.203CC..  trans-78.2103.6175.2-57.2-178.6000108.7S168 T171 A1317 L1322 A1327 T1330I166-S168 PolarHBondContact O-N 3.33Å; I166-T171 HydrophobicContact CG2-CG2 3.31Å; I166-A1317 HydrophobicContact CD1-CB 3.79Å; I166-L1322 HydrophobicContact CD1-CD1 3.33Å; I166-L1322 HydrophobicContact CG1-CD1 4.46Å; I166-A1327 PolarHBondContact N-O 2.9Å; I166-T1330 HydrophobicContact CD1-CG2 3.95Å; I166-T1330 HydrophobicContact CG1-CG2 4.39Å
167S74Confident77.5Confident33 Ų3334.3 Ų34.323%0.23118%0.184CC..  trans-65.2114.5176.21730000110.6G165 A169 I170 T171G165-S167 PolarHBondContact O-N 3.49Å; S167-A169 PolarHBondContact O-N 3.48Å; S167-I170 PolarHBondContact O-N 3.39Å; S167-I170 PolarHBondContact OG-N 3.29Å; S167-T171 WeakPolarHBondContact O-CB 3.43Å; S167-T171 WeakPolarHBondContact O-CG2 3.45Å; S167-T171 PolarHBondContact O-N 3.41Å; S167-T171 PolarHBondContact O-OG1 3.37Å
168S71.9Confident77.4Confident68 Ų6834.2 Ų34.248%0.47618%0.184SC..Hα-helixtrans-60.9-31.6176.261.80000112.3I166 T171 R172I166-S168 PolarHBondContact O-N 3.33Å; S168-T171 VanDerWaalsContact CA-OG1 3.25Å; S168-T171 WeakPolarHBondContact CA-OG1 3.44Å; S168-T171 PolarHBondContact O-OG1 3.16Å; S168-R172 WeakPolarHBondContact O-CB 3.27Å; S168-R172 VanDerWaalsContact O-CG 3.26Å; S168-R172 WeakPolarHBondContact O-CG 3.36Å; S168-R172 PolarHBondContact O-N 3.48Å; S168-R172 VanDerWaalsContact O-N 3.15Å
169A68.7Low77.4Confident45 Ų4534.3 Ų34.337%0.37218%0.184SC..Hα-helixtrans-69.2-44.9176.900000111.6S167 S173S167-A169 PolarHBondContact O-N 3.48Å; A169-S173 PolarHBondContact O-N 3.38Å; A169-S173 PolarHBondContact O-OG 3.26Å
170I74.5Confident77.3Confident4 Ų434 Ų342%0.02119%0.185CC..Hα-helixtrans-70.6-45178.6-63.9177000110.1A160 S167 R172 S173 L174 Y177 L1335A160-I170 HydrophobicContact CB-CD1 3.36Å; A160-I170 HydrophobicContact CB-CG1 4.47Å; S167-I170 PolarHBondContact O-N 3.39Å; S167-I170 PolarHBondContact OG-N 3.29Å; I170-R172 PolarHBondContact O-N 3.36Å; I170-S173 CarbonylContact O-C 3.47Å; I170-S173 PolarHBondContact O-N 3.36Å; I170-S173 VanDerWaalsContact O-N 3.12Å; I170-L174 HydrophobicContact CG2-CD2 4.38Å; I170-L174 HydrophobicContact CG2-CG 4.49Å; I170-L174 VanDerWaalsContact O-CA 3.26Å; I170-L174 WeakPolarHBondContact O-CA 3.42Å; I170-L174 WeakPolarHBondContact O-CG 3.46Å; I170-L174 PolarHBondContact O-N 3.31Å; I170-Y177 HydrophobicContact CB-CE2 4.43Å; I170-Y177 HydrophobicContact CG1-CE2 4.2Å; I170-Y177 HydrophobicContact CG2-CD2 4.14Å; I170-Y177 HydrophobicContact CG2-CE2 4.26Å; I170-Y177 HydrophobicContact CG2-CG 4.49Å; I170-L1335 HydrophobicContact CD1-CD2 3.71Å
171T74Confident76.9Confident37 Ų3738.8 Ų38.823%0.22721%0.206CC..Hα-helixtrans-61.5-42-178.3450000113.5I166 S167 S168 S173 L174 V1305I166-T171 HydrophobicContact CG2-CG2 3.31Å; S167-T171 WeakPolarHBondContact O-CB 3.43Å; S167-T171 WeakPolarHBondContact O-CG2 3.45Å; S167-T171 PolarHBondContact O-N 3.41Å; S167-T171 PolarHBondContact O-OG1 3.37Å; S168-T171 VanDerWaalsContact CA-OG1 3.25Å; S168-T171 WeakPolarHBondContact CA-OG1 3.44Å; S168-T171 PolarHBondContact O-OG1 3.16Å; T171-S173 PolarHBondContact O-N 3.38Å; T171-L174 HydrophobicContact CG2-CD1 4.09Å; T171-L174 PolarHBondContact O-N 2.72Å; T171-V1305 HydrophobicContact CG2-CG2 4.07Å
172R73.6Confident76.4Confident217 Ų21741.7 Ų41.782%0.81922%0.221SC*.Hα-helixtrans-65.1-27.4175.6-74.1179-164.6165.94.1113.8S168 I170S168-R172 WeakPolarHBondContact O-CB 3.27Å; S168-R172 VanDerWaalsContact O-CG 3.26Å; S168-R172 WeakPolarHBondContact O-CG 3.36Å; S168-R172 PolarHBondContact O-N 3.48Å; S168-R172 VanDerWaalsContact O-N 3.15Å; I170-R172 PolarHBondContact O-N 3.36Å
173S78.3Confident76Confident23 Ų2344.6 Ų44.616%0.16124%0.243CC..THydrogen-bonded Turntrans-117.326.5-179.370.10000112.3A169 I170 T171 R175 D176 Y177A169-S173 PolarHBondContact O-N 3.38Å; A169-S173 PolarHBondContact O-OG 3.26Å; I170-S173 CarbonylContact O-C 3.47Å; I170-S173 PolarHBondContact O-N 3.36Å; I170-S173 VanDerWaalsContact O-N 3.12Å; T171-S173 PolarHBondContact O-N 3.38Å; S173-R175 PolarHBondContact O-N 3.31Å; S173-R175 VanDerWaalsContact O-N 3.08Å; S173-D176 PolarHBondContact O-N 3.39Å; S173-Y177 WeakPolarHBondContact O-CD2 3.45Å; S173-Y177 WeakPolarHBondContact OG-CE2 3.42Å
174L81.9Confident75.9Confident3 Ų343.7 Ų43.72%0.01625%0.252CS..Hα-helixtrans-54.6-34.5-174.7-105163.6000111.4I170 T171 D176 Y177 L178 L1232 M1303 V1305 I1334 V1338I170-L174 HydrophobicContact CG2-CD2 4.38Å; I170-L174 HydrophobicContact CG2-CG 4.49Å; I170-L174 VanDerWaalsContact O-CA 3.26Å; I170-L174 WeakPolarHBondContact O-CA 3.42Å; I170-L174 WeakPolarHBondContact O-CG 3.46Å; I170-L174 PolarHBondContact O-N 3.31Å; T171-L174 HydrophobicContact CG2-CD1 4.09Å; T171-L174 PolarHBondContact O-N 2.72Å; L174-D176 VanDerWaalsContact C-N 3.31Å; L174-D176 PolarHBondContact O-N 3.45Å; L174-Y177 WeakPolarHBondContact O-CB 3.18Å; L174-Y177 PolarHBondContact O-N 3.41Å; L174-L178 HydrophobicContact CD2-CD1 3.71Å; L174-L178 HydrophobicContact CD2-CG 4.36Å; L174-L178 PolarHBondContact O-N 3.42Å; L174-L1232 HydrophobicContact CD1-CD2 4.24Å; L174-M1303 HydrophobicContact CB-CE 3.78Å; L174-V1305 HydrophobicContact CD1-CG2 3.54Å; L174-I1334 HydrophobicContact CD2-CG2 3.65Å; L174-V1338 HydrophobicContact CD2-CG2 4.5Å
175R85Confident75.9Confident60 Ų6043.6 Ų43.623%0.22625%0.247CC..Hα-helixtrans-49.8-49.8172.4176-177.982166.710.2112.5S173 Y177 L178 L179 R1298 N1299 M1303S173-R175 PolarHBondContact O-N 3.31Å; S173-R175 VanDerWaalsContact O-N 3.08Å; R175-Y177 PolarHBondContact O-N 3.14Å; R175-L178 PolarHBondContact O-N 3.49Å; R175-L179 HydrophobicContact CG-CB 4.5Å; R175-L179 HydrophobicContact CG-CD1 4Å; R175-L179 VanDerWaalsContact O-CB 3.31Å; R175-L179 WeakPolarHBondContact O-CB 3.45Å; R175-L179 PolarHBondContact O-N 3.42Å; R175-R1298 WeakPolarHBondContact CD-O 3.46Å; R175-R1298 HydrophobicContact CG-CB 3.95Å; R175-R1298 PolarHBondContact NH1-O 2.56Å; R175-N1299 PolarHBondContact NH1-OD1 3.37Å; R175-N1299 PolarHBondContact NH2-OD1 3.36Å; R175-M1303 HydrophobicContact CB-CE 4.02Å
176D81.4Confident75.7Confident48 Ų4847.6 Ų47.626%0.25726%0.257SS..Hα-helixtrans-73.9-11.5-174.9-54-17000112.3K153 S173 L174K153-D176 PolarHBondContact NZ-O 3.32Å; S173-D176 PolarHBondContact O-N 3.39Å; L174-D176 VanDerWaalsContact C-N 3.31Å; L174-D176 PolarHBondContact O-N 3.45Å
177Y84.2Confident75.6Confident4 Ų452.9 Ų52.92%0.01628%0.28CS..Hα-helixtrans-94-37.9175.2-77-88000112.7K153 R156 I170 S173 L174 R175 V1338 W1342K153-Y177 HydrophobicContact CB-CE1 3.76Å; K153-Y177 HydrophobicContact CG-CE1 4.17Å; K153-Y177 WeakPolarHBondContact O-CE1 3.35Å; K153-Y177 PolarHBondContact O-OH 3.27Å; R156-Y177 WeakPolarHBondContact CB-OH 3.36Å; I170-Y177 HydrophobicContact CB-CE2 4.43Å; I170-Y177 HydrophobicContact CG1-CE2 4.2Å; I170-Y177 HydrophobicContact CG2-CD2 4.14Å; I170-Y177 HydrophobicContact CG2-CE2 4.26Å; I170-Y177 HydrophobicContact CG2-CG 4.49Å; S173-Y177 WeakPolarHBondContact O-CD2 3.45Å; S173-Y177 WeakPolarHBondContact OG-CE2 3.42Å; L174-Y177 WeakPolarHBondContact O-CB 3.18Å; L174-Y177 PolarHBondContact O-N 3.41Å; R175-Y177 PolarHBondContact O-N 3.14Å; Y177-V1338 HydrophobicContact CD1-CG1 3.83Å; Y177-V1338 HydrophobicContact CG-CG1 4.31Å; Y177-W1342 HydrophobicContact CD1-CH2 4.47Å; Y177-W1342 AromaticContact CD1-CZ2 3.63Å; Y177-W1342 HydrophobicContact CD1-CZ2 3.63Å; Y177-W1342 HydrophobicContact CE1-CH2 4.49Å; Y177-W1342 HydrophobicContact CE1-CZ2 4.02Å; Y177-W1342 VanDerWaalsContact O-CD1 3.32Å; Y177-W1342 PolarHBondContact O-NE1 2.74Å
178L84.5Confident75.4Confident1 Ų153.8 Ų53.81%0.00529%0.29CS..Hα-helixtrans-99.3-34.2-172.7-67.9168.3000113.8L174 R175 R1211 I1212 L1215 L1232 M1303 M1337 V1338 S1341L174-L178 HydrophobicContact CD2-CD1 3.71Å; L174-L178 HydrophobicContact CD2-CG 4.36Å; L174-L178 PolarHBondContact O-N 3.42Å; R175-L178 PolarHBondContact O-N 3.49Å; L178-R1211 PolarHBondContact O-NH1 2.75Å; L178-I1212 HydrophobicContact CB-CD1 4.26Å; L178-I1212 HydrophobicContact CD1-CD1 4.27Å; L178-L1215 HydrophobicContact CD2-CD1 4.49Å; L178-L1232 HydrophobicContact CD1-CD1 3.24Å; L178-M1303 HydrophobicContact CB-CE 4.27Å; L178-M1303 HydrophobicContact CD1-CE 3.87Å; L178-M1337 HydrophobicContact CD2-CB 4.33Å; L178-V1338 HydrophobicContact CD2-CB 4.45Å; L178-V1338 HydrophobicContact CD2-CG2 3.89Å; L178-V1338 HydrophobicContact CG-CG2 4.22Å; L178-S1341 PolarHBondContact O-OG 2.88Å
179L84Confident75.5Confident4 Ų450.9 Ų50.92%0.02127%0.268CS..SBendtrans-101.8117.7-170.4-59.2-179.6000110.7R175 E1208 I1212 R1298 L1301 M1303R175-L179 HydrophobicContact CG-CB 4.5Å; R175-L179 HydrophobicContact CG-CD1 4Å; R175-L179 VanDerWaalsContact O-CB 3.31Å; R175-L179 WeakPolarHBondContact O-CB 3.45Å; R175-L179 PolarHBondContact O-N 3.42Å; L179-E1208 HydrophobicContact CD2-CB 3.84Å; L179-E1208 HydrophobicContact CD2-CG 4.12Å; L179-I1212 HydrophobicContact CD2-CD1 4.42Å; L179-I1212 HydrophobicContact CD2-CG1 4.45Å; L179-R1298 HydrophobicContact CB-CG 4.04Å; L179-R1298 WeakPolarHBondContact O-CD 3.45Å; L179-L1301 HydrophobicContact CD1-CB 4.2Å; L179-L1301 HydrophobicContact CD1-CD1 3.58Å; L179-M1303 HydrophobicContact CD1-CE 4.32Å; L179-M1303 HydrophobicContact CD1-SD 3.85Å; L179-M1303 HydrophobicContact CG-CE 4.4Å; L179-M1303 HydrophobicContact CG-SD 4.17Å
180P76.5Confident75.8Confident33 Ų3352.5 Ų52.521%0.21427%0.268CS..PPolyproline II helixtrans-68.6145.1-178.827.5-33.3000111N182 Y1297P180-N182 PolarHBondContact O-N 3.09Å; P180-Y1297 WeakPolarHBondContact CD-OH 3.42Å; P180-Y1297 WeakPolarHBondContact O-CE1 3.46Å; P180-Y1297 PolarHBondContact O-OH 2.92Å
181E73Confident75.7Confident111 Ų11156.7 Ų56.752%0.51929%0.291SS..PPolyproline II helixtrans-72.7119.1174-168154.6161.600110.3S183 R1298E181-S183 VanDerWaalsContact C-N 3.27Å; E181-S183 PolarHBondContact O-N 2.68Å; E181-S183 VanDerWaalsContact O-N 3.14Å; E181-R1298 VanDerWaalsContact CB-NH1 3.31Å; E181-R1298 IonicContact OE1-NH2 2.74Å; E181-R1298 IonicContact OE2-CZ 3.73Å; E181-R1298 IonicContact OE2-NH1 3.59Å; E181-R1298 PolarHBondContact OE2-NH1 3.16Å; E181-R1298 IonicContact OE2-NH2 3.47Å; E181-R1298 PolarHBondContact OE2-NH2 3.08Å
182N71.1Confident75.7Confident61 Ų6156.2 Ų56.233%0.32629%0.286SS..  trans-89.167.3173.9-163.3-5.1000110.5P180 G184 V185 Y1297P180-N182 PolarHBondContact O-N 3.09Å; N182-G184 PolarHBondContact O-N 3.34Å; N182-G184 VanDerWaalsContact O-N 3.15Å; N182-V185 PolarHBondContact O-N 3.18Å; N182-Y1297 HydrophobicContact CB-CD1 4.05Å; N182-Y1297 HydrophobicContact CB-CE1 3.88Å
183S69.7Low75.8Confident74 Ų7447.6 Ų47.652%0.51726%0.255SS..Hα-helixtrans-63.8-17.3-179.460.30000113.4E181 V185 R186 K187E181-S183 VanDerWaalsContact C-N 3.27Å; E181-S183 PolarHBondContact O-N 2.68Å; E181-S183 VanDerWaalsContact O-N 3.14Å; S183-V185 VanDerWaalsContact C-N 3.34Å; S183-V185 PolarHBondContact O-N 3.15Å; S183-R186 PolarHBondContact O-N 3.48Å; S183-K187 WeakPolarHBondContact O-CB 3.41Å; S183-K187 PolarHBondContact O-N 3.45Å
184G69.4Low75.6Confident41 Ų4149.2 Ų49.242%0.42327%0.27SS..Hα-helixtrans-60.5-40.1178.100000113N182 K187 A188N182-G184 PolarHBondContact O-N 3.34Å; N182-G184 VanDerWaalsContact O-N 3.15Å; G184-K187 PolarHBondContact O-N 3.48Å; G184-A188 VanDerWaalsContact O-CB 3.27Å; G184-A188 WeakPolarHBondContact O-CB 3.29Å; G184-A188 PolarHBondContact O-N 3.18Å
185V70.4Confident75.3Confident18 Ų1850 Ų5011%0.10928%0.276CS..Hα-helixtrans-63.5-53.1178.2179.80000110N182 S183 K187 A188 F189 I1200N182-V185 PolarHBondContact O-N 3.18Å; S183-V185 VanDerWaalsContact C-N 3.34Å; S183-V185 PolarHBondContact O-N 3.15Å; V185-K187 VanDerWaalsContact C-N 3.33Å; V185-K187 PolarHBondContact O-N 3.38Å; V185-A188 PolarHBondContact O-N 3.09Å; V185-F189 HydrophobicContact CG1-CD2 3.91Å; V185-F189 HydrophobicContact CG1-CE2 3.55Å; V185-F189 WeakPolarHBondContact O-CD2 3.46Å; V185-F189 PolarHBondContact O-N 3.28Å; V185-F189 VanDerWaalsContact O-N 3.12Å; V185-I1200 HydrophobicContact CG2-CG2 3.99Å
186R70Confident74.8Confident99 Ų9948.1 Ų48.137%0.37427%0.271SS..Hα-helixtrans-56.9-45.4177.4-179.2179175.4-176.21.5112.2S183 F189 Q190 E1292S183-R186 PolarHBondContact O-N 3.48Å; R186-F189 PolarHBondContact O-N 3.37Å; R186-Q190 WeakPolarHBondContact O-CG 3.41Å; R186-Q190 PolarHBondContact O-N 3.32Å; R186-Q190 VanDerWaalsContact O-N 3.09Å; R186-E1292 IonicContact CZ-OE1 2.86Å; R186-E1292 IonicContact CZ-OE2 2.93Å; R186-E1292 IonicContact NE-OE1 2.73Å; R186-E1292 PolarHBondContact NE-OE1 2.82Å; R186-E1292 IonicContact NE-OE2 3.64Å; R186-E1292 IonicContact NH2-OE1 3.56Å; R186-E1292 PolarHBondContact NH2-OE1 3.26Å; R186-E1292 IonicContact NH2-OE2 2.82Å; R186-E1292 PolarHBondContact NH2-OE2 3.29Å
187K72.6Confident74.5Confident126 Ų12654.4 Ų54.455%0.54829%0.291SS..Hα-helixtrans-65.5-43.3-179.8-172.1-180175.4-171.60111.9S183 G184 V185 F189 Q190 D191S183-K187 WeakPolarHBondContact O-CB 3.41Å; S183-K187 PolarHBondContact O-N 3.45Å; G184-K187 PolarHBondContact O-N 3.48Å; V185-K187 VanDerWaalsContact C-N 3.33Å; V185-K187 PolarHBondContact O-N 3.38Å; K187-F189 VanDerWaalsContact C-N 3.27Å; K187-F189 PolarHBondContact O-N 3.16Å; K187-Q190 PolarHBondContact O-N 3.28Å; K187-Q190 VanDerWaalsContact O-N 3.16Å; K187-D191 PolarHBondContact O-N 3.42Å
188A69.1Low74.2Confident53 Ų5359.9 Ų59.944%0.43832%0.317SS..Hα-helixtrans-59.4-38.4176.900000112.1G184 V185 M192G184-A188 VanDerWaalsContact O-CB 3.27Å; G184-A188 WeakPolarHBondContact O-CB 3.29Å; G184-A188 PolarHBondContact O-N 3.18Å; V185-A188 PolarHBondContact O-N 3.09Å; A188-M192 VanDerWaalsContact O-CB 3.27Å; A188-M192 WeakPolarHBondContact O-CB 3.38Å; A188-M192 PolarHBondContact O-N 3.31Å
189F74Confident74Confident7 Ų760 Ų603%0.03132%0.317CS..Hα-helixtrans-68-41.8174.1-77.3-66.9000113V185 R186 K187 M192 E193 I1192 V1197 F1265 L1295V185-F189 HydrophobicContact CG1-CD2 3.91Å; V185-F189 HydrophobicContact CG1-CE2 3.55Å; V185-F189 WeakPolarHBondContact O-CD2 3.46Å; V185-F189 PolarHBondContact O-N 3.28Å; V185-F189 VanDerWaalsContact O-N 3.12Å; R186-F189 PolarHBondContact O-N 3.37Å; K187-F189 VanDerWaalsContact C-N 3.27Å; K187-F189 PolarHBondContact O-N 3.16Å; F189-M192 HydrophobicContact CD1-CE 3.95Å; F189-M192 HydrophobicContact CD1-SD 4.33Å; F189-M192 HydrophobicContact CE1-CE 3.99Å; F189-M192 PolarHBondContact O-N 3.26Å; F189-E193 WeakPolarHBondContact O-CB 3.39Å; F189-E193 WeakPolarHBondContact O-CG 3.49Å; F189-E193 PolarHBondContact O-N 3.28Å; F189-I1192 HydrophobicContact CE1-CB 4.46Å; F189-I1192 HydrophobicContact CE1-CG2 4.14Å; F189-I1192 HydrophobicContact CZ-CG2 4.4Å; F189-V1197 HydrophobicContact CE1-CG2 3.7Å; F189-V1197 HydrophobicContact CE2-CG1 3.88Å; F189-V1197 HydrophobicContact CE2-CG2 4.32Å; F189-V1197 HydrophobicContact CZ-CB 4.03Å; F189-V1197 HydrophobicContact CZ-CG1 3.67Å; F189-V1197 HydrophobicContact CZ-CG2 3.29Å; F189-F1265 HydrophobicContact CD1-CD1 4.11Å; F189-F1265 HydrophobicContact CE1-CD1 4.18Å; F189-F1265 HydrophobicContact CE1-CE1 4.15Å; F189-F1265 HydrophobicContact CZ-CE1 4.45Å; F189-L1295 HydrophobicContact CB-CD1 4.26Å; F189-L1295 HydrophobicContact CD2-CD1 3.9Å; F189-L1295 HydrophobicContact CD2-CD2 3.87Å; F189-L1295 HydrophobicContact CD2-CG 4.5Å; F189-L1295 HydrophobicContact CE2-CD2 3.88Å; F189-L1295 HydrophobicContact CG-CD1 4.24Å
190Q74.5Confident73.9Confident78 Ų7863.8 Ų63.836%0.36433%0.331SS..Hα-helixtrans-61.8-43.9175.4-72.1177-11.600111.7R186 K187 E193 A194 E1292R186-Q190 WeakPolarHBondContact O-CG 3.41Å; R186-Q190 PolarHBondContact O-N 3.32Å; R186-Q190 VanDerWaalsContact O-N 3.09Å; K187-Q190 PolarHBondContact O-N 3.28Å; K187-Q190 VanDerWaalsContact O-N 3.16Å; Q190-E193 PolarHBondContact O-N 3.36Å; Q190-A194 WeakPolarHBondContact O-CB 3.48Å; Q190-A194 PolarHBondContact O-N 3.49Å; Q190-E1292 PolarHBondContact NE2-OE1 3.16Å
191D72.8Confident74Confident93 Ų9368 Ų6850%0.49735%0.35SS..Hα-helixtrans-65.4-40.7178.6-68.3-20.6000111.1K187 A194 A195K187-D191 PolarHBondContact O-N 3.42Å; D191-A194 PolarHBondContact O-N 3.33Å; D191-A195 PolarHBondContact O-N 3.41Å
192M74.5Confident74.4Confident26 Ų2665.6 Ų65.613%0.12834%0.343CS..Hα-helixtrans-66.2-44.5174.6179-156.7-51.600112.7A188 F189 A194 A195 L196 L1190 I1192A188-M192 VanDerWaalsContact O-CB 3.27Å; A188-M192 WeakPolarHBondContact O-CB 3.38Å; A188-M192 PolarHBondContact O-N 3.31Å; F189-M192 HydrophobicContact CD1-CE 3.95Å; F189-M192 HydrophobicContact CD1-SD 4.33Å; F189-M192 HydrophobicContact CE1-CE 3.99Å; F189-M192 PolarHBondContact O-N 3.26Å; M192-A194 VanDerWaalsContact C-N 3.28Å; M192-A194 PolarHBondContact O-N 3.39Å; M192-A195 PolarHBondContact O-N 3.2Å; M192-L196 HydrophobicContact CG-CD1 4.04Å; M192-L196 HydrophobicContact CG-CG 4.43Å; M192-L196 WeakPolarHBondContact O-CB 3.45Å; M192-L196 WeakPolarHBondContact O-CG 3.39Å; M192-L196 PolarHBondContact O-N 3.12Å; M192-L196 HydrophobicContact SD-CD1 4.44Å; M192-L1190 VanDerWaalsContact CG-O 3.3Å; M192-L1190 WeakPolarHBondContact CG-O 3.46Å; M192-I1192 HydrophobicContact CE-CB 3.68Å; M192-I1192 HydrophobicContact CE-CD1 3.17Å; M192-I1192 HydrophobicContact CE-CG1 3.31Å; M192-I1192 HydrophobicContact SD-CB 4.02Å; M192-I1192 HydrophobicContact SD-CG1 4.12Å
193E74.3Confident74.8Confident37 Ų3764.2 Ų64.217%0.17334%0.335CS..Hα-helixtrans-60.6-39.6176.4-78.7-178.5178.600111.3F189 Q190 R197 T1264 F1265 S1266F189-E193 WeakPolarHBondContact O-CB 3.39Å; F189-E193 WeakPolarHBondContact O-CG 3.49Å; F189-E193 PolarHBondContact O-N 3.28Å; Q190-E193 PolarHBondContact O-N 3.36Å; E193-R197 VanDerWaalsContact O-CB 3.3Å; E193-R197 WeakPolarHBondContact O-CB 3.44Å; E193-R197 PolarHBondContact O-N 3.4Å; E193-T1264 WeakPolarHBondContact OE1-CB 3.45Å; E193-F1265 WeakPolarHBondContact OE1-CB 3.49Å; E193-F1265 PolarHBondContact OE1-N 3.19Å; E193-S1266 PolarHBondContact OE1-N 2.99Å
194A75.5Confident75.3Confident56 Ų5665.6 Ų65.646%0.46333%0.333SS..Hα-helixtrans-62.7-46.4173.900000111.6Q190 D191 M192 R197 E198Q190-A194 WeakPolarHBondContact O-CB 3.48Å; Q190-A194 PolarHBondContact O-N 3.49Å; D191-A194 PolarHBondContact O-N 3.33Å; M192-A194 VanDerWaalsContact C-N 3.28Å; M192-A194 PolarHBondContact O-N 3.39Å; A194-R197 PolarHBondContact O-N 3.33Å; A194-E198 WeakPolarHBondContact O-CB 3.39Å; A194-E198 PolarHBondContact O-N 3.05Å
195A75.4Confident75.8Confident19 Ų1965.9 Ų65.916%0.15733%0.332CS..Hα-helixtrans-64.5-41178.600000112.9D191 M192 E198 N199 L1190D191-A195 PolarHBondContact O-N 3.41Å; M192-A195 PolarHBondContact O-N 3.2Å; A195-E198 PolarHBondContact O-N 3.5Å; A195-N199 VanDerWaalsContact O-CB 3.27Å; A195-N199 WeakPolarHBondContact O-CB 3.37Å; A195-N199 PolarHBondContact O-N 3.4Å; A195-L1190 HydrophobicContact CB-CD1 3.77Å; A195-L1190 HydrophobicContact CB-CD2 4.45Å
196L74.2Confident76.3Confident22 Ų2265.6 Ų65.612%0.11533%0.33CS..Hα-helixtrans-64.1-42174.7-74.8170.8000111.4M192 N199 R200 E1187 L1190M192-L196 HydrophobicContact CG-CD1 4.04Å; M192-L196 HydrophobicContact CG-CG 4.43Å; M192-L196 WeakPolarHBondContact O-CB 3.45Å; M192-L196 WeakPolarHBondContact O-CG 3.39Å; M192-L196 PolarHBondContact O-N 3.12Å; M192-L196 HydrophobicContact SD-CD1 4.44Å; L196-N199 PolarHBondContact O-N 3.36Å; L196-R200 WeakPolarHBondContact O-CB 3.36Å; L196-R200 VanDerWaalsContact O-CG 3.3Å; L196-R200 WeakPolarHBondContact O-CG 3.4Å; L196-R200 PolarHBondContact O-N 3.47Å; L196-E1187 HydrophobicContact CD2-CB 4.47Å; L196-E1187 HydrophobicContact CD2-CG 3.65Å; L196-L1190 HydrophobicContact CD2-CB 3.64Å; L196-L1190 HydrophobicContact CD2-CD1 4.36Å; L196-L1190 HydrophobicContact CG-CB 4.04Å
197R76Confident76.6Confident179 Ų17968.4 Ų68.468%0.67534%0.34SS*.Hα-helixtrans-64.9-43.8177.9-166.3-176.6-144.9131.94.4111.8E193 A194 R200 M201E193-R197 VanDerWaalsContact O-CB 3.3Å; E193-R197 WeakPolarHBondContact O-CB 3.44Å; E193-R197 PolarHBondContact O-N 3.4Å; A194-R197 PolarHBondContact O-N 3.33Å; R197-R200 PolarHBondContact O-N 3.37Å; R197-M201 WeakPolarHBondContact O-CG 3.45Å; R197-M201 PolarHBondContact O-N 3.29Å
198E78.1Confident77Confident119 Ų11965.9 Ų65.956%0.55634%0.335SS*.Hα-helixtrans-60.5-49.6175.8-171.6179.2-172.900110.9A194 A195 R200 M201 T202A194-E198 WeakPolarHBondContact O-CB 3.39Å; A194-E198 PolarHBondContact O-N 3.05Å; A195-E198 PolarHBondContact O-N 3.5Å; E198-R200 VanDerWaalsContact C-N 3.33Å; E198-R200 PolarHBondContact O-N 3.39Å; E198-M201 WeakPolarHBondContact O-CB 3.37Å; E198-M201 PolarHBondContact O-N 3.31Å; E198-M201 VanDerWaalsContact O-N 3.09Å; E198-T202 PolarHBondContact O-N 3.39Å; E198-T202 PolarHBondContact O-OG1 3.25Å
199N80.1Confident77.6Confident3 Ų364.3 Ų64.32%0.01632%0.32CS..Hα-helixtrans-55.3-46.2177-169.7-8.7000112A195 L196 M201 T202 L203 L1183 E1187A195-N199 VanDerWaalsContact O-CB 3.27Å; A195-N199 WeakPolarHBondContact O-CB 3.37Å; A195-N199 PolarHBondContact O-N 3.4Å; L196-N199 PolarHBondContact O-N 3.36Å; N199-M201 PolarHBondContact O-N 3.38Å; N199-T202 WeakPolarHBondContact O-CB 3.47Å; N199-T202 PolarHBondContact O-N 3.48Å; N199-T202 VanDerWaalsContact O-N 3.16Å; N199-L203 PolarHBondContact O-N 2.62Å; N199-L1183 PolarHBondContact ND2-O 3.42Å; N199-L1183 WeakPolarHBondContact OD1-CB 3.41Å; N199-L1183 WeakPolarHBondContact OD1-CD2 3.47Å; N199-L1183 PolarHBondContact OD1-O 2.97Å; N199-E1187 PolarHBondContact ND2-N 3.46Å
200R80.2Confident77.9Confident84 Ų8466.6 Ų66.632%0.31733%0.331SS..Hα-helixtrans-62.9-39175.7-73.5173.2-177.31712.7113.5L196 R197 E198 T202 L203 E204 E1187 N1261L196-R200 WeakPolarHBondContact O-CB 3.36Å; L196-R200 VanDerWaalsContact O-CG 3.3Å; L196-R200 WeakPolarHBondContact O-CG 3.4Å; L196-R200 PolarHBondContact O-N 3.47Å; R197-R200 PolarHBondContact O-N 3.37Å; E198-R200 VanDerWaalsContact C-N 3.33Å; E198-R200 PolarHBondContact O-N 3.39Å; R200-T202 VanDerWaalsContact C-N 3.29Å; R200-T202 PolarHBondContact O-N 3.25Å; R200-L203 PolarHBondContact O-N 2.8Å; R200-E204 PolarHBondContact O-N 3.23Å; R200-E1187 IonicContact CZ-OE1 2.91Å; R200-E1187 VanDerWaalsContact CZ-OE1 3.26Å; R200-E1187 IonicContact NE-OE1 3.95Å; R200-E1187 PolarHBondContact NE-OE1 3.33Å; R200-E1187 IonicContact NH2-OE1 4Å; R200-E1187 PolarHBondContact NH2-OE1 3.35Å; R200-N1261 PolarHBondContact NH2-OD1 3.44Å
201M79.1Confident78.1Confident122 Ų12266.1 Ų66.160%0.60134%0.337SS*.Hα-helixtrans-64.2-37.9174.7-71.3-166.6-52.800111.3R197 E198 N199 E204 A205R197-M201 WeakPolarHBondContact O-CG 3.45Å; R197-M201 PolarHBondContact O-N 3.29Å; E198-M201 WeakPolarHBondContact O-CB 3.37Å; E198-M201 PolarHBondContact O-N 3.31Å; E198-M201 VanDerWaalsContact O-N 3.09Å; N199-M201 PolarHBondContact O-N 3.38Å; M201-E204 PolarHBondContact O-N 3.45Å; M201-A205 WeakPolarHBondContact O-CB 3.46Å; M201-A205 PolarHBondContact O-N 3.46Å
202T81.3Confident78.6Confident60 Ų6063.7 Ų63.737%0.36832%0.324SS..Hα-helixtrans-66.2-43.3175.1-41.90000111.5E198 N199 R200 E204 A205 I206 L1183E198-T202 PolarHBondContact O-N 3.39Å; E198-T202 PolarHBondContact O-OG1 3.25Å; N199-T202 WeakPolarHBondContact O-CB 3.47Å; N199-T202 PolarHBondContact O-N 3.48Å; N199-T202 VanDerWaalsContact O-N 3.16Å; R200-T202 VanDerWaalsContact C-N 3.29Å; R200-T202 PolarHBondContact O-N 3.25Å; T202-E204 PolarHBondContact O-N 3.31Å; T202-A205 PolarHBondContact O-N 3.47Å; T202-I206 HydrophobicContact CG2-CD1 4.42Å; T202-I206 WeakPolarHBondContact O-CG1 3.42Å; T202-I206 PolarHBondContact O-N 3.24Å; T202-L1183 HydrophobicContact CG2-CD1 3.67Å
203L81Confident79.1Confident32 Ų3263.7 Ų63.717%0.16832%0.322CS..Hα-helixtrans-60-42173.7-78.1171.3000112.3N199 R200 I206 R207 T1180 L1183N199-L203 PolarHBondContact O-N 2.62Å; R200-L203 PolarHBondContact O-N 2.8Å; L203-I206 WeakPolarHBondContact O-CB 3.45Å; L203-I206 PolarHBondContact O-N 3.21Å; L203-R207 WeakPolarHBondContact O-CB 3.5Å; L203-R207 PolarHBondContact O-N 2.82Å; L203-T1180 HydrophobicContact CD2-CG2 4.07Å; L203-L1183 HydrophobicContact CD1-CB 4.32Å; L203-L1183 HydrophobicContact CD2-CB 3.61Å; L203-L1183 HydrophobicContact CD2-CD1 4.03Å; L203-L1183 HydrophobicContact CG-CB 3.82Å; L203-L1183 HydrophobicContact CG-CD1 4.12Å
204E78.9Confident79.4Confident103 Ų10365.9 Ų65.948%0.48134%0.335SS..Hα-helixtrans-67.1-39.1176.6-169.362.6-162.900111.5R200 M201 T202 I206 R207 V208R200-E204 PolarHBondContact O-N 3.23Å; M201-E204 PolarHBondContact O-N 3.45Å; T202-E204 PolarHBondContact O-N 3.31Å; E204-I206 VanDerWaalsContact C-N 3.34Å; E204-I206 PolarHBondContact O-N 3.48Å; E204-R207 WeakPolarHBondContact O-CB 3.46Å; E204-R207 PolarHBondContact O-N 3.38Å; E204-V208 WeakPolarHBondContact O-CG2 3.23Å; E204-V208 PolarHBondContact O-N 3.35Å
205A80.3Confident79.8Confident48 Ų4866 Ų6640%0.39733%0.327SS..Hα-helixtrans-62.7-40.2173.200000112M201 T202 V208 T209M201-A205 WeakPolarHBondContact O-CB 3.46Å; M201-A205 PolarHBondContact O-N 3.46Å; T202-A205 PolarHBondContact O-N 3.47Å; A205-V208 PolarHBondContact O-N 3.23Å; A205-T209 PolarHBondContact O-N 2.99Å; A205-T209 PolarHBondContact O-OG1 3.35Å
206I80.1Confident80.4Confident11 Ų1165.2 Ų65.26%0.05632%0.321CS..Hα-helixtrans-62-44172.6-74.6163.1000110.5T202 L203 E204 V208 T209 Q210 L1176 L1179 T1180 L1183T202-I206 HydrophobicContact CG2-CD1 4.42Å; T202-I206 WeakPolarHBondContact O-CG1 3.42Å; T202-I206 PolarHBondContact O-N 3.24Å; L203-I206 WeakPolarHBondContact O-CB 3.45Å; L203-I206 PolarHBondContact O-N 3.21Å; E204-I206 VanDerWaalsContact C-N 3.34Å; E204-I206 PolarHBondContact O-N 3.48Å; I206-V208 PolarHBondContact O-N 3.36Å; I206-T209 CarbonylContact O-C 3.54Å; I206-T209 WeakPolarHBondContact O-CA 3.27Å; I206-T209 WeakPolarHBondContact O-CB 3.49Å; I206-T209 PolarHBondContact O-N 3.48Å; I206-T209 VanDerWaalsContact O-N 3.09Å; I206-Q210 HydrophobicContact CG2-CG 4.28Å; I206-Q210 WeakPolarHBondContact O-CG 3.44Å; I206-Q210 PolarHBondContact O-N 3.17Å; I206-L1176 HydrophobicContact CB-CD2 4.47Å; I206-L1176 HydrophobicContact CG1-CD2 4.22Å; I206-L1176 HydrophobicContact CG2-CB 4.26Å; I206-L1176 HydrophobicContact CG2-CD2 4.05Å; I206-L1179 HydrophobicContact CD1-CB 3.68Å; I206-T1180 WeakPolarHBondContact CG2-OG1 3.21Å; I206-L1183 HydrophobicContact CD1-CD1 3.35Å
207R77.8Confident81Confident159 Ų15968.8 Ų68.860%0.634%0.335SS*.Hα-helixtrans-61.1-43.4178.4-170.2-176.3-175.1173.14112.5L203 E204 T209 Q210 S211L203-R207 WeakPolarHBondContact O-CB 3.5Å; L203-R207 PolarHBondContact O-N 2.82Å; E204-R207 WeakPolarHBondContact O-CB 3.46Å; E204-R207 PolarHBondContact O-N 3.38Å; R207-T209 VanDerWaalsContact C-N 3.31Å; R207-Q210 PolarHBondContact O-N 3.32Å; R207-S211 PolarHBondContact O-N 3.4Å
208V80.2Confident81.6Confident73 Ų7364.2 Ų64.244%0.44232%0.321SS..Hα-helixtrans-60.4-44.8172.5173.20000110.1E204 A205 I206 Q210 S211 D212E204-V208 WeakPolarHBondContact O-CG2 3.23Å; E204-V208 PolarHBondContact O-N 3.35Å; A205-V208 PolarHBondContact O-N 3.23Å; I206-V208 PolarHBondContact O-N 3.36Å; V208-Q210 VanDerWaalsContact C-N 3.33Å; V208-Q210 PolarHBondContact O-N 3.26Å; V208-S211 PolarHBondContact O-N 3.37Å; V208-S211 PolarHBondContact O-OG 3.32Å; V208-D212 PolarHBondContact O-N 3.45Å
209T81.3Confident82.2Confident20 Ų2058.8 Ų58.812%0.12330%0.296CS..Hα-helixtrans-63.8-35.7177.4-46.10000112.3A205 I206 R207 D212 R213 M1172 L1176A205-T209 PolarHBondContact O-N 2.99Å; A205-T209 PolarHBondContact O-OG1 3.35Å; I206-T209 CarbonylContact O-C 3.54Å; I206-T209 WeakPolarHBondContact O-CA 3.27Å; I206-T209 WeakPolarHBondContact O-CB 3.49Å; I206-T209 PolarHBondContact O-N 3.48Å; I206-T209 VanDerWaalsContact O-N 3.09Å; R207-T209 VanDerWaalsContact C-N 3.31Å; T209-D212 PolarHBondContact O-N 3.49Å; T209-R213 WeakPolarHBondContact O-CB 3.31Å; T209-R213 PolarHBondContact O-N 3.32Å; T209-M1172 HydrophobicContact CG2-SD 3.97Å; T209-L1176 HydrophobicContact CG2-CD1 3.82Å; T209-L1176 HydrophobicContact CG2-CD2 4.13Å
210Q80.4Confident82.7Confident55 Ų5559.2 Ų59.226%0.25730%0.298SS..Hα-helixtrans-65.4-42.6173.7-74.1174.7-12.900111.5I206 R207 V208 D212 R213 D214 L1176 T1180I206-Q210 HydrophobicContact CG2-CG 4.28Å; I206-Q210 WeakPolarHBondContact O-CG 3.44Å; I206-Q210 PolarHBondContact O-N 3.17Å; R207-Q210 PolarHBondContact O-N 3.32Å; V208-Q210 VanDerWaalsContact C-N 3.33Å; V208-Q210 PolarHBondContact O-N 3.26Å; Q210-D212 VanDerWaalsContact C-N 3.33Å; Q210-D212 PolarHBondContact O-N 3.2Å; Q210-R213 WeakPolarHBondContact O-CB 3.43Å; Q210-R213 PolarHBondContact O-N 3.4Å; Q210-D214 PolarHBondContact O-N 2.81Å; Q210-L1176 HydrophobicContact CG-CB 4.04Å; Q210-L1176 HydrophobicContact CG-CD1 3.76Å; Q210-L1176 HydrophobicContact CG-CG 4.5Å; Q210-T1180 PolarHBondContact NE2-OG1 3Å
211S78.8Confident83.1Confident68 Ų6857.4 Ų57.448%0.47630%0.299SS..Hα-helixtrans-64.4-38.7175.772.40000112.4R207 V208 D214 L215R207-S211 PolarHBondContact O-N 3.4Å; V208-S211 PolarHBondContact O-N 3.37Å; V208-S211 PolarHBondContact O-OG 3.32Å; S211-D214 PolarHBondContact O-N 3.1Å; S211-L215 WeakPolarHBondContact O-CB 3.34Å; S211-L215 PolarHBondContact O-N 3.18Å
212D82.8Confident83.8Confident42 Ų4253.5 Ų53.523%0.22528%0.279CS..Hα-helixtrans-64-43.1173.3-86.2-12.6000111.3V208 T209 Q210 D214 L215 F216 R1154V208-D212 PolarHBondContact O-N 3.45Å; T209-D212 PolarHBondContact O-N 3.49Å; Q210-D212 VanDerWaalsContact C-N 3.33Å; Q210-D212 PolarHBondContact O-N 3.2Å; D212-D214 PolarHBondContact O-N 3.39Å; D212-L215 WeakPolarHBondContact O-CB 3.45Å; D212-L215 PolarHBondContact O-N 3.06Å; D212-F216 HydrophobicContact CB-CE1 4.43Å; D212-F216 HydrophobicContact CB-CE2 4.12Å; D212-F216 HydrophobicContact CB-CZ 3.89Å; D212-F216 WeakPolarHBondContact O-CD1 3.33Å; D212-F216 WeakPolarHBondContact O-CD2 3.46Å; D212-F216 WeakPolarHBondContact O-CG 3.36Å; D212-F216 PolarHBondContact O-N 3.24Å; D212-R1154 IonicContact OD1-CZ 3.26Å; D212-R1154 IonicContact OD1-NH2 3.36Å; D212-R1154 PolarHBondContact OD1-NH2 3.14Å; D212-R1154 IonicContact OD2-CZ 3.56Å; D212-R1154 IonicContact OD2-NH2 2.86Å; D212-R1154 PolarHBondContact OD2-NH2 3.15Å
213R84.6Confident84.4Confident25 Ų2550.7 Ų50.79%0.09426%0.261CS..Hα-helixtrans-58.6-45.9175.5-178.9-86.9-71.5-162.6-22112.1T209 Q210 L215 F216 K217 I1169 M1172 E1173T209-R213 WeakPolarHBondContact O-CB 3.31Å; T209-R213 PolarHBondContact O-N 3.32Å; Q210-R213 WeakPolarHBondContact O-CB 3.43Å; Q210-R213 PolarHBondContact O-N 3.4Å; R213-L215 VanDerWaalsContact C-N 3.34Å; R213-F216 WeakPolarHBondContact O-CB 3.43Å; R213-F216 PolarHBondContact O-N 3.07Å; R213-K217 PolarHBondContact O-N 2.73Å; R213-I1169 HydrophobicContact CG-CG2 4.04Å; R213-M1172 HydrophobicContact CB-SD 3.79Å; R213-M1172 HydrophobicContact CG-CB 4.49Å; R213-M1172 HydrophobicContact CG-CG 4.45Å; R213-M1172 HydrophobicContact CG-SD 4.02Å; R213-E1173 VanDerWaalsContact CZ-CD 3.43Å; R213-E1173 IonicContact CZ-OE1 3.15Å; R213-E1173 IonicContact CZ-OE2 2.96Å; R213-E1173 IonicContact NH1-OE1 2.69Å; R213-E1173 PolarHBondContact NH1-OE1 3.04Å; R213-E1173 IonicContact NH1-OE2 3.82Å; R213-E1173 IonicContact NH2-OE1 2.72Å; R213-E1173 PolarHBondContact NH2-OE1 2.72Å
214D80.9Confident84.9Confident83 Ų8349.6 Ų49.644%0.44426%0.256SS..Hα-helixtrans-65.8-39.7178.9-74-25.2000111.4Q210 S211 D212 F216 K217 H218Q210-D214 PolarHBondContact O-N 2.81Å; S211-D214 PolarHBondContact O-N 3.1Å; D212-D214 PolarHBondContact O-N 3.39Å; D214-F216 VanDerWaalsContact C-N 3.33Å; D214-F216 PolarHBondContact O-N 2.97Å; D214-K217 PolarHBondContact O-N 3.24Å; D214-H218 WeakPolarHBondContact O-CB 3.32Å; D214-H218 PolarHBondContact O-N 3.27Å
215L84.9Confident85.5Confident59 Ų5946.6 Ų46.631%0.30924%0.243SC..Hα-helixtrans-59.5-43.4170.6-179.667.6000111.2S211 D212 R213 H218 L219 A1117S211-L215 WeakPolarHBondContact O-CB 3.34Å; S211-L215 PolarHBondContact O-N 3.18Å; D212-L215 WeakPolarHBondContact O-CB 3.45Å; D212-L215 PolarHBondContact O-N 3.06Å; R213-L215 VanDerWaalsContact C-N 3.34Å; L215-H218 PolarHBondContact O-N 3.45Å; L215-L219 WeakPolarHBondContact O-CB 3.36Å; L215-L219 PolarHBondContact O-N 3.07Å; L215-A1117 HydrophobicContact CD1-CB 4.16Å
216F87.8Confident86.2Confident3 Ų344.4 Ų44.41%0.01323%0.225CC..Hα-helixtrans-63.2-44.6178.5-62.2-18000112.2D212 R213 D214 H218 L219 I220 L1151 R1154 I1155 I1169D212-F216 HydrophobicContact CB-CE1 4.43Å; D212-F216 HydrophobicContact CB-CE2 4.12Å; D212-F216 HydrophobicContact CB-CZ 3.89Å; D212-F216 WeakPolarHBondContact O-CD1 3.33Å; D212-F216 WeakPolarHBondContact O-CD2 3.46Å; D212-F216 WeakPolarHBondContact O-CG 3.36Å; D212-F216 PolarHBondContact O-N 3.24Å; R213-F216 WeakPolarHBondContact O-CB 3.43Å; R213-F216 PolarHBondContact O-N 3.07Å; D214-F216 VanDerWaalsContact C-N 3.33Å; D214-F216 PolarHBondContact O-N 2.97Å; F216-H218 VanDerWaalsContact C-N 3.33Å; F216-H218 PolarHBondContact O-N 3.11Å; F216-L219 PolarHBondContact O-N 3.18Å; F216-I220 WeakPolarHBondContact O-CB 3.39Å; F216-I220 WeakPolarHBondContact O-CG2 3.47Å; F216-I220 PolarHBondContact O-N 3.33Å; F216-L1151 HydrophobicContact CB-CD2 3.51Å; F216-L1151 HydrophobicContact CD1-CD2 3.39Å; F216-L1151 HydrophobicContact CD2-CD2 4.34Å; F216-L1151 HydrophobicContact CE1-CD2 4.23Å; F216-L1151 HydrophobicContact CG-CD2 3.47Å; F216-L1151 VanDerWaalsContact CG-CD2 3.47Å; F216-R1154 HydrophobicContact CE1-CB 4.18Å; F216-R1154 HydrophobicContact CE2-CB 4.35Å; F216-R1154 HydrophobicContact CZ-CB 3.59Å; F216-I1155 HydrophobicContact CD2-CG1 3.86Å; F216-I1155 HydrophobicContact CE2-CG1 3.95Å; F216-I1169 HydrophobicContact CB-CD1 3.69Å; F216-I1169 HydrophobicContact CB-CG1 4.02Å
217K86.3Confident86.8Confident96 Ų9644 Ų4442%0.41722%0.223SC..Hα-helixtrans-62.4-40.8176.5-168.8174.2-173.2167.70111.7R213 D214 I220 S221 I1169 E1173R213-K217 PolarHBondContact O-N 2.73Å; D214-K217 PolarHBondContact O-N 3.24Å; K217-I220 WeakPolarHBondContact O-CG2 3.47Å; K217-S221 WeakPolarHBondContact O-CB 3.39Å; K217-S221 PolarHBondContact O-N 3.36Å; K217-S221 PolarHBondContact O-OG 3.29Å; K217-I1169 HydrophobicContact CB-CG2 4.06Å; K217-I1169 HydrophobicContact CG-CG2 4.44Å; K217-E1173 IonicContact NZ-OE2 2.77Å
218H87.7Confident87.5Confident84 Ų8436.4 Ų36.439%0.38919%0.194SC..Hα-helixtrans-68.9-43.8175.7-167.10.3000111.8D214 L215 F216 I220 S221 E222D214-H218 WeakPolarHBondContact O-CB 3.32Å; D214-H218 PolarHBondContact O-N 3.27Å; L215-H218 PolarHBondContact O-N 3.45Å; F216-H218 VanDerWaalsContact C-N 3.33Å; F216-H218 PolarHBondContact O-N 3.11Å; H218-I220 PolarHBondContact O-N 3.23Å; H218-S221 WeakPolarHBondContact CA-OG 3.47Å; H218-S221 PolarHBondContact O-N 3.5Å; H218-S221 PolarHBondContact O-OG 3.35Å; H218-E222 WeakPolarHBondContact CE1-CG 3.39Å; H218-E222 IonicContact CE1-OE1 2.83Å; H218-E222 PolarHBondContact CE1-OE1 3.49Å; H218-E222 WeakPolarHBondContact ND1-CG 3.47Å; H218-E222 IonicContact ND1-OE1 3.6Å; H218-E222 WeakPolarHBondContact O-CG 3.45Å; H218-E222 PolarHBondContact O-N 3.33Å
219L91.4Very high88Confident4 Ų432.9 Ų32.92%0.02117%0.173CC..Hα-helixtrans-62.6-45.7-179.2-174.267.6000111.4L215 F216 A223 L1114 A1117 V1118 L1124 V1147 L1151L215-L219 WeakPolarHBondContact O-CB 3.36Å; L215-L219 PolarHBondContact O-N 3.07Å; F216-L219 PolarHBondContact O-N 3.18Å; L219-A223 WeakPolarHBondContact O-CB 3.47Å; L219-A223 PolarHBondContact O-N 3.38Å; L219-L1114 HydrophobicContact CD1-CD2 3.82Å; L219-A1117 HydrophobicContact CD1-CB 4.15Å; L219-V1118 HydrophobicContact CD1-CG2 3.7Å; L219-L1124 HydrophobicContact CD2-CD1 4.29Å; L219-V1147 HydrophobicContact CD1-CG2 4.49Å; L219-V1147 HydrophobicContact CD2-CG1 3.89Å; L219-V1147 HydrophobicContact CG-CG1 3.81Å; L219-V1147 HydrophobicContact CG-CG2 4.44Å; L219-L1151 HydrophobicContact CD2-CD2 4.29Å
220I90.2Very high88.4Confident13 Ų1332.2 Ų32.27%0.06717%0.169CC..Hα-helixtrans-68.4-40.5-179.4-164.258.8000112.3F216 K217 H218 T224 V1147 Y1148 L1151 V1166 I1169F216-I220 WeakPolarHBondContact O-CB 3.39Å; F216-I220 WeakPolarHBondContact O-CG2 3.47Å; F216-I220 PolarHBondContact O-N 3.33Å; K217-I220 WeakPolarHBondContact O-CG2 3.47Å; H218-I220 PolarHBondContact O-N 3.23Å; I220-T224 VanDerWaalsContact O-CB 3.32Å; I220-T224 WeakPolarHBondContact O-CB 3.43Å; I220-T224 PolarHBondContact O-N 3.35Å; I220-T224 PolarHBondContact O-OG1 3.39Å; I220-V1147 HydrophobicContact CD1-CG1 4.48Å; I220-Y1148 HydrophobicContact CD1-CD2 3.95Å; I220-Y1148 HydrophobicContact CD1-CE1 4.5Å; I220-Y1148 HydrophobicContact CD1-CE2 3.28Å; I220-L1151 HydrophobicContact CB-CD1 4.01Å; I220-L1151 HydrophobicContact CD1-CD1 3.82Å; I220-L1151 HydrophobicContact CG1-CD1 4.25Å; I220-V1166 HydrophobicContact CG1-CG2 3.93Å; I220-I1169 HydrophobicContact CG2-CD1 4.35Å
221S89Confident88.8Confident46 Ų4630 Ų3032%0.32216%0.158SC..Hα-helixtrans-65.7-47.6179.252.30000111.7K217 H218 T224 N225K217-S221 WeakPolarHBondContact O-CB 3.39Å; K217-S221 PolarHBondContact O-N 3.36Å; K217-S221 PolarHBondContact O-OG 3.29Å; H218-S221 WeakPolarHBondContact CA-OG 3.47Å; H218-S221 PolarHBondContact O-N 3.5Å; H218-S221 PolarHBondContact O-OG 3.35Å; S221-T224 PolarHBondContact O-N 3.35Å; S221-N225 VanDerWaalsContact O-CG 3.3Å; S221-N225 PolarHBondContact O-N 3.33Å; S221-N225 PolarHBondContact O-ND2 3.17Å
222E94.2Very high89.2Confident40 Ų4027 Ų2719%0.18714%0.137CC..Hα-helixtrans-71.2-37.2178.5-62.7-61.8167.400112.3H218 T224 N225 Y226 A1110 A1113 L1114H218-E222 WeakPolarHBondContact CE1-CG 3.39Å; H218-E222 IonicContact CE1-OE1 2.83Å; H218-E222 PolarHBondContact CE1-OE1 3.49Å; H218-E222 WeakPolarHBondContact ND1-CG 3.47Å; H218-E222 IonicContact ND1-OE1 3.6Å; H218-E222 WeakPolarHBondContact O-CG 3.45Å; H218-E222 PolarHBondContact O-N 3.33Å; E222-T224 VanDerWaalsContact C-N 3.28Å; E222-T224 PolarHBondContact O-N 3.31Å; E222-N225 PolarHBondContact O-N 3.42Å; E222-Y226 VanDerWaalsContact O-CB 3.24Å; E222-Y226 WeakPolarHBondContact O-CB 3.41Å; E222-Y226 PolarHBondContact O-N 2.94Å; E222-A1110 WeakPolarHBondContact OE2-CA 3.47Å; E222-A1110 WeakPolarHBondContact OE2-CB 3.48Å; E222-A1113 HydrophobicContact CB-CB 4.47Å; E222-A1113 HydrophobicContact CG-CB 3.8Å; E222-L1114 HydrophobicContact CB-CD2 3.84Å; E222-L1114 HydrophobicContact CB-CG 3.88Å
223A93.6Very high89.3Confident0 Ų026.3 Ų26.30%013%0.131CC..Hα-helixtrans-62.6-39.317400000111L219 V227 L1114 F1143 F1144 V1147L219-A223 WeakPolarHBondContact O-CB 3.47Å; L219-A223 PolarHBondContact O-N 3.38Å; A223-V227 WeakPolarHBondContact O-CB 3.44Å; A223-V227 WeakPolarHBondContact O-CG2 3.44Å; A223-V227 PolarHBondContact O-N 3.2Å; A223-V227 VanDerWaalsContact O-N 3.09Å; A223-L1114 HydrophobicContact CB-CD2 4.18Å; A223-F1143 HydrophobicContact CB-CE1 4.08Å; A223-F1144 HydrophobicContact CB-CD2 4.04Å; A223-F1144 HydrophobicContact CB-CE2 4.25Å; A223-V1147 HydrophobicContact CB-CB 4.47Å; A223-V1147 HydrophobicContact CB-CG1 4.15Å; A223-V1147 HydrophobicContact CB-CG2 4.22Å
224T92.2Very high89.1Confident10 Ų1026.4 Ų26.46%0.06113%0.132CC..Hα-helixtrans-67.1-45.2176.3-53.30000110.8I220 S221 E222 V227 A228 R1092I220-T224 VanDerWaalsContact O-CB 3.32Å; I220-T224 WeakPolarHBondContact O-CB 3.43Å; I220-T224 PolarHBondContact O-N 3.35Å; I220-T224 PolarHBondContact O-OG1 3.39Å; S221-T224 PolarHBondContact O-N 3.35Å; E222-T224 VanDerWaalsContact C-N 3.28Å; E222-T224 PolarHBondContact O-N 3.31Å; T224-V227 PolarHBondContact O-N 3.14Å; T224-A228 WeakPolarHBondContact O-CA 3.49Å; T224-A228 WeakPolarHBondContact O-CB 3.36Å; T224-A228 PolarHBondContact O-N 3.34Å; T224-R1092 VanDerWaalsContact CG2-NH2 3.27Å
225N91.3Very high88.9Confident40 Ų4024 Ų2421%0.21412%0.124CC..Hα-helixtrans-62.9-44.5177.6-69.3-20.2000111.7S221 E222 V227 A229 R1092 A1110S221-N225 VanDerWaalsContact O-CG 3.3Å; S221-N225 PolarHBondContact O-N 3.33Å; S221-N225 PolarHBondContact O-ND2 3.17Å; E222-N225 PolarHBondContact O-N 3.42Å; N225-V227 VanDerWaalsContact C-N 3.32Å; N225-V227 PolarHBondContact O-N 3.18Å; N225-A229 WeakPolarHBondContact O-CB 3.3Å; N225-A229 PolarHBondContact O-N 3.41Å; N225-R1092 PolarHBondContact OD1-NH1 3.13Å; N225-A1110 HydrophobicContact CB-CB 4.09Å
226Y94.8Very high88.6Confident2 Ų223 Ų231%0.00812%0.119CC..Hα-helixtrans-56.5-46177.9174.8-127.9000112.2E222 S1107 L1111 L1114 L1128 S1131 K1140 F1143E222-Y226 VanDerWaalsContact O-CB 3.24Å; E222-Y226 WeakPolarHBondContact O-CB 3.41Å; E222-Y226 PolarHBondContact O-N 2.94Å; Y226-S1107 WeakPolarHBondContact CD2-O 3.49Å; Y226-S1107 WeakPolarHBondContact CD2-OG 3.37Å; Y226-S1107 WeakPolarHBondContact CE2-OG 3.06Å; Y226-L1111 HydrophobicContact CD2-CB 4.13Å; Y226-L1111 HydrophobicContact CE2-CB 4.03Å; Y226-L1111 HydrophobicContact CE2-CD1 4.16Å; Y226-L1111 HydrophobicContact CE2-CD2 4.49Å; Y226-L1111 HydrophobicContact CE2-CG 4.46Å; Y226-L1114 HydrophobicContact CD1-CD1 3.8Å; Y226-L1114 HydrophobicContact CG-CD1 3.84Å; Y226-L1128 HydrophobicContact CD1-CD1 4.45Å; Y226-L1128 HydrophobicContact CE1-CD1 3.92Å; Y226-S1131 WeakPolarHBondContact CE1-OG 3.44Å; Y226-S1131 PolarHBondContact OH-O 3.28Å; Y226-S1131 PolarHBondContact OH-OG 3.21Å; Y226-K1140 HydrophobicContact CE1-CB 4.44Å; Y226-K1140 HydrophobicContact CE1-CD 3.97Å; Y226-K1140 HydrophobicContact CE1-CG 3.95Å; Y226-K1140 HydrophobicContact CE2-CD 3.94Å; Y226-K1140 VanDerWaalsContact OH-CE 3.31Å; Y226-K1140 WeakPolarHBondContact OH-CE 3.34Å; Y226-F1143 AromaticContact CD1-CD1 3.97Å; Y226-F1143 HydrophobicContact CD1-CD1 3.97Å; Y226-F1143 HydrophobicContact CD1-CE1 4.22Å; Y226-F1143 HydrophobicContact CE1-CD1 4.07Å
227V93.4Very high88.2Confident1 Ų125.4 Ų25.41%0.00613%0.13CC..Hα-helixtrans-88.2-39.4-171.5-176.60000111.4A223 T224 N225 D230 Y231 L1090 K1140 I1141 F1144A223-V227 WeakPolarHBondContact O-CB 3.44Å; A223-V227 WeakPolarHBondContact O-CG2 3.44Å; A223-V227 PolarHBondContact O-N 3.2Å; A223-V227 VanDerWaalsContact O-N 3.09Å; T224-V227 PolarHBondContact O-N 3.14Å; N225-V227 VanDerWaalsContact C-N 3.32Å; N225-V227 PolarHBondContact O-N 3.18Å; V227-D230 PolarHBondContact O-N 3.49Å; V227-Y231 WeakPolarHBondContact O-CB 3.47Å; V227-Y231 PolarHBondContact O-N 3.4Å; V227-L1090 HydrophobicContact CB-CD2 3.87Å; V227-L1090 HydrophobicContact CG1-CD1 3.96Å; V227-L1090 HydrophobicContact CG1-CD2 3.61Å; V227-L1090 HydrophobicContact CG1-CG 4.44Å; V227-K1140 HydrophobicContact CG2-CB 4.39Å; V227-K1140 WeakPolarHBondContact CG2-O 3.45Å; V227-I1141 HydrophobicContact CG1-CD1 3.44Å; V227-I1141 VanDerWaalsContact CG1-CD1 3.44Å; V227-F1144 HydrophobicContact CB-CB 4.47Å; V227-F1144 HydrophobicContact CB-CD2 4.19Å; V227-F1144 HydrophobicContact CB-CG 4.45Å; V227-F1144 HydrophobicContact CG1-CB 4.24Å; V227-F1144 HydrophobicContact CG1-CG 4.41Å; V227-F1144 HydrophobicContact CG2-CB 3.95Å; V227-F1144 HydrophobicContact CG2-CD2 3.98Å; V227-F1144 HydrophobicContact CG2-CG 4.28Å
228A91.5Very high87.8Confident0 Ų024.4 Ų24.40%012%0.124CC..Hα-helixtrans-66.2-38.4176.800000111.7T224 D230 Y231 M232 L1090 L1095T224-A228 WeakPolarHBondContact O-CA 3.49Å; T224-A228 WeakPolarHBondContact O-CB 3.36Å; T224-A228 PolarHBondContact O-N 3.34Å; A228-D230 PolarHBondContact O-N 3.47Å; A228-Y231 PolarHBondContact O-N 3.16Å; A228-M232 WeakPolarHBondContact O-CB 3.48Å; A228-M232 WeakPolarHBondContact O-CG 3.49Å; A228-M232 PolarHBondContact O-N 2.62Å; A228-L1090 HydrophobicContact CB-CD2 4.37Å; A228-L1090 WeakPolarHBondContact CB-O 3.26Å; A228-L1095 HydrophobicContact CB-CD1 3.98Å
229A90.7Very high87.3Confident0 Ų028.7 Ų28.70%014%0.136CC..Hα-helixtrans-57.9-49.7173.800000111.4N225 M232 R233 L1103 M1106N225-A229 WeakPolarHBondContact O-CB 3.3Å; N225-A229 PolarHBondContact O-N 3.41Å; A229-M232 PolarHBondContact O-N 3.39Å; A229-R233 VanDerWaalsContact O-CB 3.27Å; A229-R233 WeakPolarHBondContact O-CB 3.31Å; A229-R233 PolarHBondContact O-N 3.11Å; A229-L1103 WeakPolarHBondContact CB-O 3.39Å; A229-M1106 HydrophobicContact CB-CB 4.4Å; A229-M1106 HydrophobicContact CB-CE 3.38Å
230D88.9Confident86.9Confident6 Ų632.8 Ų32.83%0.03216%0.162CC..Hα-helixtrans-70.5-39.2-177.8-165.578.8000112.2V227 A228 M232 R233 H234 K1140V227-D230 PolarHBondContact O-N 3.49Å; A228-D230 PolarHBondContact O-N 3.47Å; D230-M232 PolarHBondContact O-N 3.29Å; D230-R233 PolarHBondContact O-N 3.41Å; D230-R233 IonicContact OD1-CZ 2.62Å; D230-R233 IonicContact OD1-NE 3.77Å; D230-R233 IonicContact OD1-NH2 2.86Å; D230-R233 PolarHBondContact OD1-NH2 3.43Å; D230-H234 PolarHBondContact O-CD2 3.22Å; D230-H234 VanDerWaalsContact O-CD2 3.3Å; D230-H234 PolarHBondContact O-N 3.01Å; D230-H234 IonicContact OD1-NE2 3.95Å; D230-H234 IonicContact OD2-CD2 3.85Å; D230-H234 PolarHBondContact OD2-CD2 3.14Å; D230-H234 IonicContact OD2-NE2 3.82Å; D230-H234 PolarHBondContact OD2-NE2 3.24Å; D230-K1140 HydrophobicContact CB-CD 3.67Å; D230-K1140 IonicContact OD1-NZ 2.92Å; D230-K1140 PolarHBondContact OD1-NZ 3.43Å; D230-K1140 WeakPolarHBondContact OD2-CD 3.45Å; D230-K1140 IonicContact OD2-NZ 3.87Å
231Y89.6Confident86.6Confident7 Ų734.2 Ų34.23%0.02717%0.168CC..Hα-helixtrans-57.5-49173.6178.9-93.8000111V227 A228 H234 A235 W1074 V1077 M1078 V1081 L1090 H1091V227-Y231 WeakPolarHBondContact O-CB 3.47Å; V227-Y231 PolarHBondContact O-N 3.4Å; A228-Y231 PolarHBondContact O-N 3.16Å; Y231-H234 PolarHBondContact O-N 3.26Å; Y231-A235 PolarHBondContact O-N 3.17Å; Y231-A235 VanDerWaalsContact O-N 3.08Å; Y231-W1074 HydrophobicContact CD1-CH2 4.09Å; Y231-W1074 AromaticContact CD2-CH2 3.62Å; Y231-W1074 HydrophobicContact CD2-CH2 3.62Å; Y231-W1074 AromaticContact CD2-CZ3 3.72Å; Y231-W1074 HydrophobicContact CD2-CZ3 3.72Å; Y231-W1074 AromaticContact CE1-CH2 3.8Å; Y231-W1074 HydrophobicContact CE1-CH2 3.8Å; Y231-W1074 AromaticContact CE2-CH2 3.29Å; Y231-W1074 HydrophobicContact CE2-CH2 3.29Å; Y231-W1074 HydrophobicContact CE2-CZ2 4.02Å; Y231-W1074 AromaticContact CE2-CZ3 3.79Å; Y231-W1074 HydrophobicContact CE2-CZ3 3.79Å; Y231-W1074 AromaticContact CG-CH2 4Å; Y231-W1074 HydrophobicContact CG-CH2 4Å; Y231-W1074 HydrophobicContact CG-CZ3 4.2Å; Y231-W1074 AromaticContact CZ-CH2 3.38Å; Y231-W1074 AromaticContact CZ-CZ2 3.9Å; Y231-W1074 WeakPolarHBondContact O-CH2 3.42Å; Y231-W1074 WeakPolarHBondContact O-CZ3 3.37Å; Y231-V1077 HydrophobicContact CD2-CG1 3.71Å; Y231-V1077 HydrophobicContact CE2-CG1 3.96Å; Y231-M1078 HydrophobicContact CE2-SD 4.1Å; Y231-M1078 PolarHBondContact OH-SD 2.88Å; Y231-V1081 HydrophobicContact CD2-CG2 4.29Å; Y231-V1081 HydrophobicContact CE2-CG1 4.48Å; Y231-V1081 HydrophobicContact CE2-CG2 4.05Å; Y231-L1090 HydrophobicContact CD1-CB 4.26Å; Y231-L1090 HydrophobicContact CG-CB 4.22Å; Y231-H1091 HydrophobicContact CE1-CB 4.13Å; Y231-H1091 AromaticContact CE1-CD2 3.97Å
232M86.4Confident86.4Confident7 Ų735.4 Ų35.43%0.03417%0.17CC..Hα-helixtrans-71.3-33177.7-69.6-56.7-135.300112.7A228 A229 D230 A235 N236 R1092 L1095 L1103A228-M232 WeakPolarHBondContact O-CB 3.48Å; A228-M232 WeakPolarHBondContact O-CG 3.49Å; A228-M232 PolarHBondContact O-N 2.62Å; A229-M232 PolarHBondContact O-N 3.39Å; D230-M232 PolarHBondContact O-N 3.29Å; M232-A235 PolarHBondContact O-N 2.9Å; M232-N236 WeakPolarHBondContact O-CB 3.44Å; M232-N236 PolarHBondContact O-N 3.4Å; M232-R1092 WeakPolarHBondContact CE-O 3.28Å; M232-L1095 HydrophobicContact CB-CB 3.96Å; M232-L1095 HydrophobicContact CG-CB 3.86Å; M232-L1095 HydrophobicContact CG-CD1 4.29Å; M232-L1103 HydrophobicContact CB-CD1 4.41Å
233R85.5Confident86Confident26 Ų2637.3 Ų37.310%0.09818%0.182CC..Hα-helixtrans-61.8-46.7172.8-173.1-177.665.4160.30.8111A229 D230 A235 N236 E237 A1100 L1103A229-R233 VanDerWaalsContact O-CB 3.27Å; A229-R233 WeakPolarHBondContact O-CB 3.31Å; A229-R233 PolarHBondContact O-N 3.11Å; D230-R233 PolarHBondContact O-N 3.41Å; D230-R233 IonicContact OD1-CZ 2.62Å; D230-R233 IonicContact OD1-NE 3.77Å; D230-R233 IonicContact OD1-NH2 2.86Å; D230-R233 PolarHBondContact OD1-NH2 3.43Å; R233-A235 VanDerWaalsContact C-N 3.34Å; R233-A235 PolarHBondContact O-N 3.47Å; R233-N236 CarbonylContact O-C 3.59Å; R233-N236 PolarHBondContact O-N 3.06Å; R233-N236 VanDerWaalsContact O-N 3.17Å; R233-E237 WeakPolarHBondContact CD-OE1 3.28Å; R233-E237 HydrophobicContact CG-CG 4.05Å; R233-E237 WeakPolarHBondContact CG-OE1 3.35Å; R233-E237 IonicContact CZ-OE1 2.99Å; R233-E237 IonicContact NE-OE1 3.53Å; R233-E237 WeakPolarHBondContact O-CB 3.35Å; R233-E237 WeakPolarHBondContact O-CG 3.42Å; R233-E237 PolarHBondContact O-N 3.01Å; R233-A1100 HydrophobicContact CG-CB 4.31Å; R233-L1103 HydrophobicContact CB-CB 4.05Å; R233-L1103 HydrophobicContact CB-CD1 3.98Å; R233-L1103 HydrophobicContact CG-CB 4.48Å
234H81.1Confident85.8Confident28 Ų2841.8 Ų41.813%0.1320%0.201CC..Hα-helixtrans-64.6-37.3177.4-83.3-53.5000113D230 Y231 N236 E237 R238 W1074 P1137D230-H234 PolarHBondContact O-CD2 3.22Å; D230-H234 VanDerWaalsContact O-CD2 3.3Å; D230-H234 PolarHBondContact O-N 3.01Å; D230-H234 IonicContact OD1-NE2 3.95Å; D230-H234 IonicContact OD2-CD2 3.85Å; D230-H234 PolarHBondContact OD2-CD2 3.14Å; D230-H234 IonicContact OD2-NE2 3.82Å; D230-H234 PolarHBondContact OD2-NE2 3.24Å; Y231-H234 PolarHBondContact O-N 3.26Å; H234-N236 VanDerWaalsContact C-N 3.32Å; H234-E237 IonicContact CE1-OE2 3.21Å; H234-E237 IonicContact ND1-OE2 2.68Å; H234-R238 WeakPolarHBondContact O-CB 3.38Å; H234-R238 PolarHBondContact O-N 3.14Å; H234-R238 VanDerWaalsContact O-N 3.17Å; H234-W1074 HydrophobicContact CB-CE3 3.77Å; H234-W1074 HydrophobicContact CB-CZ3 3.86Å; H234-P1137 VanDerWaalsContact NE2-CB 3.27Å; H234-P1137 WeakPolarHBondContact NE2-CB 3.45Å
235A76.6Confident85.7Confident33 Ų3341.8 Ų41.827%0.27320%0.203SC..Hα-helixtrans-59.6-44.4172.100000111.4Y231 M232 R233 W1074Y231-A235 PolarHBondContact O-N 3.17Å; Y231-A235 VanDerWaalsContact O-N 3.08Å; M232-A235 PolarHBondContact O-N 2.9Å; R233-A235 VanDerWaalsContact C-N 3.34Å; R233-A235 PolarHBondContact O-N 3.47Å; A235-W1074 HydrophobicContact CB-CH2 3.81Å; A235-W1074 HydrophobicContact CB-CZ2 4.06Å; A235-W1074 HydrophobicContact CB-CZ3 4.38Å
236N78.6Confident85.6Confident38 Ų3843.3 Ų43.320%0.20321%0.21CC..Hα-helixtrans-72.4-47.4179.8-76.8-9.4000113.2M232 R233 H234 R238 R239 V240 A1096M232-N236 WeakPolarHBondContact O-CB 3.44Å; M232-N236 PolarHBondContact O-N 3.4Å; R233-N236 CarbonylContact O-C 3.59Å; R233-N236 PolarHBondContact O-N 3.06Å; R233-N236 VanDerWaalsContact O-N 3.17Å; H234-N236 VanDerWaalsContact C-N 3.32Å; N236-R238 VanDerWaalsContact C-N 3.32Å; N236-R238 PolarHBondContact O-N 3.31Å; N236-R239 WeakPolarHBondContact O-CB 3.42Å; N236-R239 PolarHBondContact O-N 3.08Å; N236-V240 WeakPolarHBondContact O-CG2 3.46Å; N236-V240 PolarHBondContact O-N 3.35Å; N236-A1096 PolarHBondContact ND2-O 3.31Å; N236-A1096 VanDerWaalsContact ND2-O 3.13Å
237E78.9Confident85.3Confident52 Ų5248 Ų4824%0.24323%0.232CC..Hα-helixtrans-57.4-43.9178.7-79.9176.6176.400111.4R233 H234 R239 V240 H241R233-E237 WeakPolarHBondContact CD-OE1 3.28Å; R233-E237 HydrophobicContact CG-CG 4.05Å; R233-E237 WeakPolarHBondContact CG-OE1 3.35Å; R233-E237 IonicContact CZ-OE1 2.99Å; R233-E237 IonicContact NE-OE1 3.53Å; R233-E237 WeakPolarHBondContact O-CB 3.35Å; R233-E237 WeakPolarHBondContact O-CG 3.42Å; R233-E237 PolarHBondContact O-N 3.01Å; H234-E237 IonicContact CE1-OE2 3.21Å; H234-E237 IonicContact ND1-OE2 2.68Å; E237-R239 VanDerWaalsContact C-N 3.25Å; E237-R239 PolarHBondContact O-N 3.36Å; E237-V240 PolarHBondContact O-N 3.43Å; E237-V240 VanDerWaalsContact O-N 3.17Å; E237-H241 WeakPolarHBondContact O-CB 3.39Å; E237-H241 PolarHBondContact O-CD2 3.32Å; E237-H241 PolarHBondContact O-N 2.9Å
238R78.3Confident85.3Confident76 Ų7649.5 Ų49.529%0.28724%0.239SC..Hα-helixtrans-57.8-40.9176.4178.9-179.1168.1-160.1-7.5111.6H234 N236 L242 W1074H234-R238 WeakPolarHBondContact O-CB 3.38Å; H234-R238 PolarHBondContact O-N 3.14Å; H234-R238 VanDerWaalsContact O-N 3.17Å; N236-R238 VanDerWaalsContact C-N 3.32Å; N236-R238 PolarHBondContact O-N 3.31Å; R238-L242 VanDerWaalsContact O-CB 3.24Å; R238-L242 WeakPolarHBondContact O-CB 3.42Å; R238-L242 PolarHBondContact O-N 3.4Å; R238-W1074 VanDerWaalsContact NH1-CD1 3.34Å
239R78Confident85.3Confident173 Ų17355.2 Ų55.265%0.65326%0.26SS*.Hα-helixtrans-65.4-46.7177-176.6-178.2172.4-178.5-0.2110.7N236 E237 H241 L242 D243N236-R239 WeakPolarHBondContact O-CB 3.42Å; N236-R239 PolarHBondContact O-N 3.08Å; E237-R239 VanDerWaalsContact C-N 3.25Å; E237-R239 PolarHBondContact O-N 3.36Å; R239-H241 PolarHBondContact O-N 3.32Å; R239-L242 PolarHBondContact O-N 3.06Å; R239-D243 IonicContact NE-OD2 3.39Å; R239-D243 WeakPolarHBondContact O-CB 3.35Å; R239-D243 PolarHBondContact O-N 3.18Å
240V82.1Confident85.1Confident91 Ų9163.6 Ų63.655%0.55229%0.292SS*.Hα-helixtrans-58.8-47.4176.8173.80000111.7N236 E237 L242 D243 K244N236-V240 WeakPolarHBondContact O-CG2 3.46Å; N236-V240 PolarHBondContact O-N 3.35Å; E237-V240 PolarHBondContact O-N 3.43Å; E237-V240 VanDerWaalsContact O-N 3.17Å; V240-L242 VanDerWaalsContact C-N 3.31Å; V240-L242 PolarHBondContact O-N 3.24Å; V240-D243 PolarHBondContact O-N 3.41Å; V240-K244 WeakPolarHBondContact O-CB 3.49Å; V240-K244 PolarHBondContact O-N 3.21Å
241H84.5Confident85.2Confident42 Ų4267 Ų6719%0.19431%0.307CS..Hα-helixtrans-62.5-39.5177.1-67.6-55.8000111.9E237 R239 A245 M1063 V1067E237-H241 WeakPolarHBondContact O-CB 3.39Å; E237-H241 PolarHBondContact O-CD2 3.32Å; E237-H241 PolarHBondContact O-N 2.9Å; R239-H241 PolarHBondContact O-N 3.32Å; H241-A245 VanDerWaalsContact O-CB 3.26Å; H241-A245 WeakPolarHBondContact O-CB 3.46Å; H241-A245 PolarHBondContact O-N 3.26Å; H241-M1063 HydrophobicContact CB-CE 4.48Å; H241-M1063 HydrophobicContact CB-SD 3.95Å; H241-M1063 WeakPolarHBondContact ND1-CE 3.41Å; H241-M1063 PolarHBondContact ND1-SD 3.45Å; H241-V1067 VanDerWaalsContact C-CG2 3.47Å; H241-V1067 HydrophobicContact CB-CG2 3.58Å; H241-V1067 WeakPolarHBondContact O-CG2 3.45Å
242L84.9Confident85.2Confident71 Ų7167.1 Ų67.137%0.37231%0.309SS..Hα-helixtrans-67.1-45.1177.6-173.7126.9000111.6R238 R239 V240 K244 A245 L246 V1067R238-L242 VanDerWaalsContact O-CB 3.24Å; R238-L242 WeakPolarHBondContact O-CB 3.42Å; R238-L242 PolarHBondContact O-N 3.4Å; R239-L242 PolarHBondContact O-N 3.06Å; V240-L242 VanDerWaalsContact C-N 3.31Å; V240-L242 PolarHBondContact O-N 3.24Å; L242-K244 PolarHBondContact O-N 3.23Å; L242-A245 PolarHBondContact O-N 3.12Å; L242-L246 HydrophobicContact CD2-CD1 3.75Å; L242-L246 HydrophobicContact CG-CD1 4.37Å; L242-L246 WeakPolarHBondContact O-CB 3.48Å; L242-L246 VanDerWaalsContact O-CG 3.27Å; L242-L246 WeakPolarHBondContact O-CG 3.41Å; L242-L246 PolarHBondContact O-N 3.04Å; L242-V1067 HydrophobicContact CD1-CG1 4.48Å
243D85.5Confident85.3Confident80 Ų8070.9 Ų70.943%0.42833%0.326SS..Hα-helixtrans-61.3-45.1178.1-72-20.9000110.8R239 V240 L246 E247R239-D243 IonicContact NE-OD2 3.39Å; R239-D243 WeakPolarHBondContact O-CB 3.35Å; R239-D243 PolarHBondContact O-N 3.18Å; V240-D243 PolarHBondContact O-N 3.41Å; D243-L246 WeakPolarHBondContact O-CB 3.43Å; D243-L246 PolarHBondContact O-N 3.17Å; D243-E247 WeakPolarHBondContact O-CB 3.5Å; D243-E247 PolarHBondContact O-N 3.42Å
244K88.3Confident85.4Confident94 Ų9472.8 Ų72.841%0.40934%0.341SS..Hα-helixtrans-68.3-35.4176.5-173.9155.8174.1-179.30113.1V240 L242 L246 E247 F248 M1063V240-K244 WeakPolarHBondContact O-CB 3.49Å; V240-K244 PolarHBondContact O-N 3.21Å; L242-K244 PolarHBondContact O-N 3.23Å; K244-L246 VanDerWaalsContact C-N 3.34Å; K244-E247 PolarHBondContact O-N 3.35Å; K244-F248 HydrophobicContact CD-CE2 4.42Å; K244-F248 HydrophobicContact CG-CD2 4.21Å; K244-F248 HydrophobicContact CG-CE2 3.78Å; K244-F248 HydrophobicContact CG-CZ 4.13Å; K244-F248 WeakPolarHBondContact O-CD2 3.44Å; K244-F248 WeakPolarHBondContact O-CG 3.41Å; K244-F248 PolarHBondContact O-N 3.4Å; K244-M1063 HydrophobicContact CB-CE 3.72Å; K244-M1063 HydrophobicContact CD-CE 3.45Å; K244-M1063 VanDerWaalsContact CD-CE 3.45Å; K244-M1063 HydrophobicContact CG-CE 3.59Å
245A90.5Very high85.8Confident11 Ų1171.6 Ų71.69%0.09134%0.335CS..Hα-helixtrans-65.2-38.1171.500000111.8H241 L242 R249 Y1060 M1063 V1067H241-A245 VanDerWaalsContact O-CB 3.26Å; H241-A245 WeakPolarHBondContact O-CB 3.46Å; H241-A245 PolarHBondContact O-N 3.26Å; L242-A245 PolarHBondContact O-N 3.12Å; A245-R249 VanDerWaalsContact O-CB 3.27Å; A245-R249 WeakPolarHBondContact O-CB 3.38Å; A245-R249 PolarHBondContact O-N 3.11Å; A245-Y1060 HydrophobicContact CB-CE2 4.5Å; A245-Y1060 WeakPolarHBondContact O-CD2 3.24Å; A245-Y1060 WeakPolarHBondContact O-CE2 3.47Å; A245-M1063 HydrophobicContact CB-CG 4.01Å; A245-V1067 HydrophobicContact CB-CG2 4.19Å
246L88.9Confident86.5Confident71 Ų7175.7 Ų75.737%0.37234%0.344SS..Hα-helixtrans-69.1-37.8175.3-71.3174.6000111.8L242 D243 K244 R249 R250L242-L246 HydrophobicContact CD2-CD1 3.75Å; L242-L246 HydrophobicContact CG-CD1 4.37Å; L242-L246 WeakPolarHBondContact O-CB 3.48Å; L242-L246 VanDerWaalsContact O-CG 3.27Å; L242-L246 WeakPolarHBondContact O-CG 3.41Å; L242-L246 PolarHBondContact O-N 3.04Å; D243-L246 WeakPolarHBondContact O-CB 3.43Å; D243-L246 PolarHBondContact O-N 3.17Å; K244-L246 VanDerWaalsContact C-N 3.34Å; L246-R249 PolarHBondContact O-N 3.16Å; L246-R250 VanDerWaalsContact O-CG 3.32Å; L246-R250 WeakPolarHBondContact O-CG 3.45Å; L246-R250 PolarHBondContact O-N 2.92Å
247E89.8Confident86.9Confident101 Ų10180.5 Ų80.547%0.47237%0.365SS..Hα-helixtrans-59.2-56.4172.4-176.4-180-16700111D243 K244 R249 R250 E251D243-E247 WeakPolarHBondContact O-CB 3.5Å; D243-E247 PolarHBondContact O-N 3.42Å; K244-E247 PolarHBondContact O-N 3.35Å; E247-R249 PolarHBondContact O-N 3.47Å; E247-R250 WeakPolarHBondContact O-CB 3.47Å; E247-R250 PolarHBondContact O-N 3.41Å; E247-E251 PolarHBondContact O-N 3.05Å
248F92.5Very high87.4Confident32 Ų3282.2 Ų82.214%0.1437%0.373CS..Hα-helixtrans-57.8-37.1176.5-69.3-36.8000112.5K244 E251 L252 L1056 D1059 Y1060 M1063K244-F248 HydrophobicContact CD-CE2 4.42Å; K244-F248 HydrophobicContact CG-CD2 4.21Å; K244-F248 HydrophobicContact CG-CE2 3.78Å; K244-F248 HydrophobicContact CG-CZ 4.13Å; K244-F248 WeakPolarHBondContact O-CD2 3.44Å; K244-F248 WeakPolarHBondContact O-CG 3.41Å; K244-F248 PolarHBondContact O-N 3.4Å; F248-E251 PolarHBondContact O-N 3.2Å; F248-L252 WeakPolarHBondContact O-CB 3.39Å; F248-L252 PolarHBondContact O-N 3.29Å; F248-L1056 HydrophobicContact CD1-CD2 4.18Å; F248-D1059 HydrophobicContact CD2-CB 4.34Å; F248-D1059 HydrophobicContact CE2-CB 4.04Å; F248-D1059 HydrophobicContact CZ-CB 4.13Å; F248-Y1060 HydrophobicContact CB-CD2 4.27Å; F248-M1063 HydrophobicContact CD2-CB 4.28Å; F248-M1063 HydrophobicContact CE2-CB 4.36Å
249R91.3Very high87.9Confident120 Ų12079.7 Ų79.745%0.45337%0.365SS..Hα-helixtrans-63.5-43.1174.9-175.7176176.2-178.9-0.1111.9A245 L246 E247 L252 H253 Y1060A245-R249 VanDerWaalsContact O-CB 3.27Å; A245-R249 WeakPolarHBondContact O-CB 3.38Å; A245-R249 PolarHBondContact O-N 3.11Å; L246-R249 PolarHBondContact O-N 3.16Å; E247-R249 PolarHBondContact O-N 3.47Å; R249-L252 PolarHBondContact O-N 3.25Å; R249-H253 PolarHBondContact NE-NE2 3.11Å; R249-H253 PolarHBondContact O-CD2 3.38Å; R249-H253 PolarHBondContact O-N 3.45Å; R249-Y1060 HydrophobicContact CB-CD2 4.13Å; R249-Y1060 HydrophobicContact CB-CE2 3.77Å; R249-Y1060 HydrophobicContact CG-CE2 4.37Å
250R87.6Confident88.3Confident177 Ų17773.9 Ų73.967%0.66835%0.354SS*.Hα-helixtrans-62.7-50.1176-72.8172.4-170.5174.83.2110.4L246 E247 L252 H253 T254L246-R250 VanDerWaalsContact O-CG 3.32Å; L246-R250 WeakPolarHBondContact O-CG 3.45Å; L246-R250 PolarHBondContact O-N 2.92Å; E247-R250 WeakPolarHBondContact O-CB 3.47Å; E247-R250 PolarHBondContact O-N 3.41Å; R250-L252 VanDerWaalsContact C-N 3.27Å; R250-L252 PolarHBondContact O-N 3.06Å; R250-H253 PolarHBondContact O-N 3.42Å; R250-H253 VanDerWaalsContact O-N 3.1Å; R250-T254 PolarHBondContact O-N 3.37Å; R250-T254 PolarHBondContact O-OG1 3.34Å; R250-T254 VanDerWaalsContact O-OG1 3.08Å
251E90.4Very high88.5Confident76 Ų7671.8 Ų71.836%0.35535%0.347SS..Hα-helixtrans-59.6-38.1178.7-68.2-170.1155.400112.8E247 F248 S255 L1056E247-E251 PolarHBondContact O-N 3.05Å; F248-E251 PolarHBondContact O-N 3.2Å; E251-S255 VanDerWaalsContact O-CB 3.23Å; E251-S255 WeakPolarHBondContact O-CB 3.42Å; E251-S255 PolarHBondContact O-N 3.21Å; E251-S255 PolarHBondContact O-OG 3.33Å; E251-L1056 HydrophobicContact CB-CD1 4.08Å; E251-L1056 HydrophobicContact CB-CD2 4.35Å; E251-L1056 VanDerWaalsContact OE2-CD2 3.27Å; E251-L1056 WeakPolarHBondContact OE2-CD2 3.48Å
252L89.8Confident88.6Confident11 Ų1171.1 Ų71.16%0.05834%0.343CS..Hα-helixtrans-66.3-42.7175.5-179.1149.9000111.6F248 R249 R250 R256 L1053 E1057F248-L252 WeakPolarHBondContact O-CB 3.39Å; F248-L252 PolarHBondContact O-N 3.29Å; R249-L252 PolarHBondContact O-N 3.25Å; R250-L252 VanDerWaalsContact C-N 3.27Å; R250-L252 PolarHBondContact O-N 3.06Å; L252-R256 WeakPolarHBondContact O-CB 3.41Å; L252-R256 VanDerWaalsContact O-CG 3.3Å; L252-R256 WeakPolarHBondContact O-CG 3.39Å; L252-R256 PolarHBondContact O-N 3.47Å; L252-L1053 HydrophobicContact CG-CD2 4.41Å; L252-E1057 HydrophobicContact CD1-CB 4.26Å; L252-E1057 HydrophobicContact CD1-CG 3.42Å; L252-E1057 VanDerWaalsContact CD1-CG 3.42Å; L252-E1057 HydrophobicContact CG-CG 4.41Å
253H88.1Confident88.8Confident86 Ų8672.1 Ų72.140%0.39835%0.346SS..Hα-helixtrans-63.2-46.6173.6-77.2-60.5000111.9R249 R250 R256 Q257R249-H253 PolarHBondContact NE-NE2 3.11Å; R249-H253 PolarHBondContact O-CD2 3.38Å; R249-H253 PolarHBondContact O-N 3.45Å; R250-H253 PolarHBondContact O-N 3.42Å; R250-H253 VanDerWaalsContact O-N 3.1Å; H253-R256 PolarHBondContact O-N 3.4Å; H253-Q257 WeakPolarHBondContact O-CG 3.44Å; H253-Q257 PolarHBondContact O-N 3.32Å
254T88.6Confident88.7Confident66 Ų6675.8 Ų75.841%0.40536%0.355SS..Hα-helixtrans-61.9-45177.4-54.40000111.5R250 R256 Q257 Q258R250-T254 PolarHBondContact O-N 3.37Å; R250-T254 PolarHBondContact O-OG1 3.34Å; R250-T254 VanDerWaalsContact O-OG1 3.08Å; T254-R256 VanDerWaalsContact C-N 3.31Å; T254-R256 PolarHBondContact O-N 3.04Å; T254-Q257 PolarHBondContact O-N 2.93Å; T254-Q258 WeakPolarHBondContact O-CG 3.42Å; T254-Q258 PolarHBondContact O-N 3.24Å
255S89.5Confident88.6Confident3 Ų376.1 Ų76.12%0.02136%0.357CS..Hα-helixtrans-66.7-32.5179.1-56.90000112E251 L259E251-S255 VanDerWaalsContact O-CB 3.23Å; E251-S255 WeakPolarHBondContact O-CB 3.42Å; E251-S255 PolarHBondContact O-N 3.21Å; E251-S255 PolarHBondContact O-OG 3.33Å; S255-L259 WeakPolarHBondContact O-CB 3.49Å; S255-L259 PolarHBondContact O-N 3.22Å
256R90.6Very high88.6Confident118 Ų11877.5 Ų77.545%0.44536%0.361SS..Hα-helixtrans-68.2-41.3172.5-78.4-179.5-179.9175.9-0.1112.2L252 H253 T254 L259 A260 L1053 E1057L252-R256 WeakPolarHBondContact O-CB 3.41Å; L252-R256 VanDerWaalsContact O-CG 3.3Å; L252-R256 WeakPolarHBondContact O-CG 3.39Å; L252-R256 PolarHBondContact O-N 3.47Å; H253-R256 PolarHBondContact O-N 3.4Å; T254-R256 VanDerWaalsContact C-N 3.31Å; T254-R256 PolarHBondContact O-N 3.04Å; R256-L259 PolarHBondContact O-N 3.41Å; R256-A260 WeakPolarHBondContact O-CB 3.41Å; R256-A260 PolarHBondContact O-N 3.4Å; R256-L1053 HydrophobicContact CG-CD1 4.21Å; R256-L1053 HydrophobicContact CG-CD2 3.65Å; R256-E1057 IonicContact CZ-OE1 3.32Å; R256-E1057 IonicContact NE-OE1 3.72Å; R256-E1057 IonicContact NH2-OE1 3.78Å; R256-E1057 PolarHBondContact NH2-OE1 3.25Å
257Q86.3Confident88.5Confident139 Ų13978.4 Ų78.465%0.6537%0.37SS*.Hα-helixtrans-63.3-42.9174.9-74.3174.7-22.300111.3H253 T254 A260 A261H253-Q257 WeakPolarHBondContact O-CG 3.44Å; H253-Q257 PolarHBondContact O-N 3.32Å; T254-Q257 PolarHBondContact O-N 2.93Å; Q257-A260 PolarHBondContact O-N 2.99Å; Q257-A261 WeakPolarHBondContact O-CB 3.42Å; Q257-A261 PolarHBondContact O-N 2.62Å
258Q89Confident88.2Confident88 Ų8876.5 Ų76.541%0.41136%0.363SS..Hα-helixtrans-60.6-47.1173.9-72.7173.8-14.100111.5T254 A260 A261 E262 L1049T254-Q258 WeakPolarHBondContact O-CG 3.42Å; T254-Q258 PolarHBondContact O-N 3.24Å; Q258-A260 VanDerWaalsContact C-N 3.33Å; Q258-A260 PolarHBondContact O-N 3.32Å; Q258-A261 PolarHBondContact O-N 3.36Å; Q258-E262 PolarHBondContact O-N 3.35Å; Q258-L1049 HydrophobicContact CB-CD1 4.14Å; Q258-L1049 HydrophobicContact CB-CD2 4.26Å
259L89.8Confident88Confident23 Ų2376.8 Ų76.812%0.1237%0.365CS..Hα-helixtrans-59.7-43.3176.9-178.766.1000112S255 R256 A261 E262 Q263 M1046 L1049 L1053S255-L259 WeakPolarHBondContact O-CB 3.49Å; S255-L259 PolarHBondContact O-N 3.22Å; R256-L259 PolarHBondContact O-N 3.41Å; L259-A261 VanDerWaalsContact C-N 3.34Å; L259-E262 PolarHBondContact O-N 3.2Å; L259-Q263 HydrophobicContact CG-CG 4.47Å; L259-Q263 WeakPolarHBondContact O-CB 3.33Å; L259-Q263 VanDerWaalsContact O-CG 3.25Å; L259-Q263 WeakPolarHBondContact O-CG 3.36Å; L259-Q263 PolarHBondContact O-N 3.1Å; L259-M1046 HydrophobicContact CD1-CB 4.1Å; L259-M1046 HydrophobicContact CD1-CG 4.14Å; L259-L1049 HydrophobicContact CB-CB 4.48Å; L259-L1049 HydrophobicContact CB-CD1 4.48Å; L259-L1049 HydrophobicContact CD1-CB 4.14Å; L259-L1053 HydrophobicContact CB-CD1 4.13Å; L259-L1053 HydrophobicContact CD2-CD1 3.6Å; L259-L1053 HydrophobicContact CG-CD1 4.47Å
260A86.3Confident87.8Confident51 Ų5172.9 Ų72.942%0.42136%0.358SS..Hα-helixtrans-64.5-38.6177.800000112.2R256 Q257 Q258 Q263 Y264R256-A260 WeakPolarHBondContact O-CB 3.41Å; R256-A260 PolarHBondContact O-N 3.4Å; Q257-A260 PolarHBondContact O-N 2.99Å; Q258-A260 VanDerWaalsContact C-N 3.33Å; Q258-A260 PolarHBondContact O-N 3.32Å; A260-Q263 PolarHBondContact O-N 3.2Å; A260-Y264 PolarHBondContact O-N 2.88Å
261A85.8Confident87.7Confident48 Ų4872.4 Ų72.440%0.39736%0.356SS..Hα-helixtrans-65.3-43.9175.600000111.8Q257 Q258 L259 Y264 K265Q257-A261 WeakPolarHBondContact O-CB 3.42Å; Q257-A261 PolarHBondContact O-N 2.62Å; Q258-A261 PolarHBondContact O-N 3.36Å; L259-A261 VanDerWaalsContact C-N 3.34Å; A261-Y264 PolarHBondContact O-N 3.45Å; A261-K265 WeakPolarHBondContact O-CG 3.38Å; A261-K265 PolarHBondContact O-N 3.25Å
262E86.9Confident87.5Confident27 Ų2772.3 Ų72.313%0.12636%0.356CS..Hα-helixtrans-67.9-35.9175.7-64.8-47.9131.300112.1Q258 L259 Y264 K265 H266 C1042 M1046 L1049Q258-E262 PolarHBondContact O-N 3.35Å; L259-E262 PolarHBondContact O-N 3.2Å; E262-Y264 VanDerWaalsContact C-N 3.34Å; E262-Y264 PolarHBondContact O-N 3.1Å; E262-K265 PolarHBondContact O-N 3.03Å; E262-K265 IonicContact OE1-NZ 2.9Å; E262-K265 PolarHBondContact OE1-NZ 3.33Å; E262-K265 WeakPolarHBondContact OE2-CD 3.41Å; E262-K265 IonicContact OE2-NZ 2.8Å; E262-H266 WeakPolarHBondContact O-CB 3.47Å; E262-H266 PolarHBondContact O-N 3.32Å; E262-C1042 PolarHBondContact O-SG 3.41Å; E262-C1042 VanDerWaalsContact O-SG 3.33Å; E262-M1046 HydrophobicContact CB-CG 3.79Å; E262-L1049 HydrophobicContact CG-CD1 4.18Å
263Q88.5Confident87.4Confident92 Ų9273 Ų7343%0.4336%0.359SS..Hα-helixtrans-60.8-42.4172.1-79.3173.6-11.700112.4L259 A260 H266 V267 M1046L259-Q263 HydrophobicContact CG-CG 4.47Å; L259-Q263 WeakPolarHBondContact O-CB 3.33Å; L259-Q263 VanDerWaalsContact O-CG 3.25Å; L259-Q263 WeakPolarHBondContact O-CG 3.36Å; L259-Q263 PolarHBondContact O-N 3.1Å; A260-Q263 PolarHBondContact O-N 3.2Å; Q263-H266 PolarHBondContact O-N 3.2Å; Q263-V267 WeakPolarHBondContact O-CG2 3.35Å; Q263-V267 PolarHBondContact O-N 3.49Å; Q263-V267 VanDerWaalsContact O-N 3.07Å; Q263-M1046 HydrophobicContact CG-CE 3.59Å; Q263-M1046 HydrophobicContact CG-SD 4.33Å
264Y84.6Confident87.3Confident157 Ų15771.8 Ų71.862%0.61636%0.364SS*.Hα-helixtrans-63.7-48177.2-174.8-99.1000111.1A260 A261 E262 H266 V267 D268A260-Y264 PolarHBondContact O-N 2.88Å; A261-Y264 PolarHBondContact O-N 3.45Å; E262-Y264 VanDerWaalsContact C-N 3.34Å; E262-Y264 PolarHBondContact O-N 3.1Å; Y264-H266 VanDerWaalsContact C-N 3.31Å; Y264-H266 PolarHBondContact O-N 2.98Å; Y264-V267 PolarHBondContact O-N 2.69Å; Y264-D268 WeakPolarHBondContact CE1-OD2 3.3Å; Y264-D268 PolarHBondContact O-N 3.13Å
265K86.4Confident87.3Confident102 Ų10274.1 Ų74.144%0.44337%0.37SS..Hα-helixtrans-58.4-41.6174.6-69.6175.7-172.71680112.3A261 E262 D268 M269A261-K265 WeakPolarHBondContact O-CG 3.38Å; A261-K265 PolarHBondContact O-N 3.25Å; E262-K265 PolarHBondContact O-N 3.03Å; E262-K265 IonicContact OE1-NZ 2.9Å; E262-K265 PolarHBondContact OE1-NZ 3.33Å; E262-K265 WeakPolarHBondContact OE2-CD 3.41Å; E262-K265 IonicContact OE2-NZ 2.8Å; K265-D268 PolarHBondContact O-N 3.06Å; K265-M269 HydrophobicContact CB-CE 4.19Å; K265-M269 WeakPolarHBondContact O-CB 3.37Å; K265-M269 WeakPolarHBondContact O-CE 3.47Å; K265-M269 VanDerWaalsContact O-CG 3.29Å; K265-M269 WeakPolarHBondContact O-CG 3.29Å; K265-M269 PolarHBondContact O-N 3.38Å
266H89.7Confident87.2Confident40 Ų4076.4 Ų76.419%0.18538%0.381CS..Hα-helixtrans-60-46.4177.8-176.3-82.3000111.4E262 Q263 Y264 M269 A270 L1039 E1043 M1046E262-H266 WeakPolarHBondContact O-CB 3.47Å; E262-H266 PolarHBondContact O-N 3.32Å; Q263-H266 PolarHBondContact O-N 3.2Å; Y264-H266 VanDerWaalsContact C-N 3.31Å; Y264-H266 PolarHBondContact O-N 2.98Å; H266-M269 PolarHBondContact O-N 3.43Å; H266-A270 WeakPolarHBondContact O-CB 3.31Å; H266-A270 PolarHBondContact O-N 3.44Å; H266-L1039 WeakPolarHBondContact O-CD2 3.48Å; H266-E1043 IonicContact CD2-OE1 3.15Å; H266-E1043 IonicContact CE1-OE1 3.89Å; H266-E1043 VanDerWaalsContact NE2-CG 3.32Å; H266-E1043 WeakPolarHBondContact NE2-CG 3.09Å; H266-E1043 IonicContact NE2-OE1 2.7Å; H266-E1043 PolarHBondContact NE2-OE1 3.45Å; H266-M1046 HydrophobicContact CB-SD 3.83Å
267V87.1Confident86.9Confident90 Ų9074.3 Ų74.355%0.54538%0.379SS..Hα-helixtrans-62.8-45178.3171.10000111.6Q263 Y264 A270 R271Q263-V267 WeakPolarHBondContact O-CG2 3.35Å; Q263-V267 PolarHBondContact O-N 3.49Å; Q263-V267 VanDerWaalsContact O-N 3.07Å; Y264-V267 PolarHBondContact O-N 2.69Å; V267-A270 PolarHBondContact O-N 3.17Å; V267-R271 WeakPolarHBondContact O-CB 3.48Å; V267-R271 PolarHBondContact O-N 3.2Å
268D83.1Confident86.8Confident61 Ų6169.9 Ų69.933%0.32637%0.37SS..Hα-helixtrans-63.7-47178.8-76.6-12.3000111.3Y264 K265 A270 R271 E272Y264-D268 WeakPolarHBondContact CE1-OD2 3.3Å; Y264-D268 PolarHBondContact O-N 3.13Å; K265-D268 PolarHBondContact O-N 3.06Å; D268-A270 PolarHBondContact O-N 3.13Å; D268-R271 PolarHBondContact O-N 2.66Å; D268-E272 PolarHBondContact O-N 3.2Å
269M89.4Confident86.6Confident38 Ų3867.4 Ų67.419%0.18737%0.365CS..Hα-helixtrans-64.7-37177-70.7-174.2-65.300112.7K265 H266 R271 E272 L273 L1035 A1038 L1039 C1042K265-M269 HydrophobicContact CB-CE 4.19Å; K265-M269 WeakPolarHBondContact O-CB 3.37Å; K265-M269 WeakPolarHBondContact O-CE 3.47Å; K265-M269 VanDerWaalsContact O-CG 3.29Å; K265-M269 WeakPolarHBondContact O-CG 3.29Å; K265-M269 PolarHBondContact O-N 3.38Å; H266-M269 PolarHBondContact O-N 3.43Å; M269-R271 VanDerWaalsContact C-N 3.34Å; M269-E272 PolarHBondContact O-N 3.27Å; M269-L273 VanDerWaalsContact O-CB 3.31Å; M269-L273 WeakPolarHBondContact O-CB 3.27Å; M269-L273 PolarHBondContact O-N 3.49Å; M269-L1035 HydrophobicContact CB-CD2 4.25Å; M269-L1035 HydrophobicContact CG-CD2 4.21Å; M269-A1038 HydrophobicContact SD-CB 3.66Å; M269-L1039 HydrophobicContact CB-CD1 4.45Å; M269-L1039 HydrophobicContact CB-CD2 3.83Å; M269-L1039 HydrophobicContact CB-CG 3.94Å; M269-L1039 HydrophobicContact CE-CD2 4.41Å; M269-C1042 HydrophobicContact CE-CB 3.77Å
270A86.3Confident86.5Confident37 Ų3767.5 Ų67.531%0.30636%0.364SS..Hα-helixtrans-67.8-36.117700000111.7H266 V267 D268 L273 A274 L1039H266-A270 WeakPolarHBondContact O-CB 3.31Å; H266-A270 PolarHBondContact O-N 3.44Å; V267-A270 PolarHBondContact O-N 3.17Å; D268-A270 PolarHBondContact O-N 3.13Å; A270-L273 PolarHBondContact O-N 2.97Å; A270-A274 PolarHBondContact O-N 3.34Å; A270-L1039 HydrophobicContact CB-CD2 4.14Å
271R85.4Confident86.3Confident167 Ų16767 Ų6763%0.6336%0.364SS*.Hα-helixtrans-66.5-48.7172.7-176.3-177.6173.5173.92.4111.4V267 D268 M269 L273 A274 E275V267-R271 WeakPolarHBondContact O-CB 3.48Å; V267-R271 PolarHBondContact O-N 3.2Å; D268-R271 PolarHBondContact O-N 2.66Å; M269-R271 VanDerWaalsContact C-N 3.34Å; R271-L273 VanDerWaalsContact C-N 3.27Å; R271-L273 PolarHBondContact O-N 3.44Å; R271-A274 PolarHBondContact O-N 3.43Å; R271-A274 VanDerWaalsContact O-N 3.16Å; R271-E275 IonicContact NE-OE1 2.77Å; R271-E275 PolarHBondContact NE-OE1 3.46Å; R271-E275 PolarHBondContact O-N 3.43Å
272E85.5Confident86.2Confident74 Ų7470 Ų7035%0.34637%0.374SS..Hα-helixtrans-56.2-42.8173.9-76-173.2-160.500111.2D268 M269 A274 E275 H276 R1031 L1035D268-E272 PolarHBondContact O-N 3.2Å; M269-E272 PolarHBondContact O-N 3.27Å; E272-A274 PolarHBondContact O-N 3.15Å; E272-E275 PolarHBondContact O-N 3.26Å; E272-H276 PolarHBondContact O-CD2 2.93Å; E272-H276 PolarHBondContact O-N 3.21Å; E272-R1031 IonicContact OE2-CZ 3.98Å; E272-R1031 IonicContact OE2-NH2 3.72Å; E272-R1031 PolarHBondContact OE2-NH2 3.48Å; E272-L1035 HydrophobicContact CB-CD1 3.86Å; E272-L1035 HydrophobicContact CB-CD2 4.38Å
273L88.9Confident86.3Confident25 Ų2570 Ų7013%0.13138%0.375CS..Hα-helixtrans-61.6-42.4177.7-17673.6000111.8M269 A270 R271 H276 N277 R1032 L1035 E1036 L1039M269-L273 VanDerWaalsContact O-CB 3.31Å; M269-L273 WeakPolarHBondContact O-CB 3.27Å; M269-L273 PolarHBondContact O-N 3.49Å; A270-L273 PolarHBondContact O-N 2.97Å; R271-L273 VanDerWaalsContact C-N 3.27Å; R271-L273 PolarHBondContact O-N 3.44Å; L273-H276 PolarHBondContact O-N 3.07Å; L273-N277 WeakPolarHBondContact O-CB 3.49Å; L273-N277 VanDerWaalsContact O-CG 3.27Å; L273-N277 PolarHBondContact O-N 3.46Å; L273-R1032 HydrophobicContact CD1-CB 4.38Å; L273-R1032 HydrophobicContact CD1-CG 3.57Å; L273-L1035 HydrophobicContact CB-CB 4.43Å; L273-L1035 HydrophobicContact CD1-CB 3.9Å; L273-E1036 HydrophobicContact CD1-CG 3.76Å; L273-E1036 HydrophobicContact CD2-CG 4.08Å; L273-L1039 HydrophobicContact CB-CD1 4.12Å; L273-L1039 HydrophobicContact CD2-CD1 3.63Å; L273-L1039 HydrophobicContact CG-CD1 4.4Å
274A86.3Confident86.2Confident61 Ų6168.6 Ų68.650%0.50437%0.368SS..Hα-helixtrans-64.4-39.217800000112.2A270 R271 E272 N277 G278A270-A274 PolarHBondContact O-N 3.34Å; R271-A274 PolarHBondContact O-N 3.43Å; R271-A274 VanDerWaalsContact O-N 3.16Å; E272-A274 PolarHBondContact O-N 3.15Å; A274-N277 PolarHBondContact O-N 3.11Å; A274-G278 PolarHBondContact O-N 2.98Å
275E87.1Confident86.2Confident115 Ų11563.7 Ų63.754%0.53736%0.36SS..Hα-helixtrans-63.9-43.9174.9-69.9175.3-171.600111.2R271 E272 G278 A279R271-E275 IonicContact NE-OE1 2.77Å; R271-E275 PolarHBondContact NE-OE1 3.46Å; R271-E275 PolarHBondContact O-N 3.43Å; E272-E275 PolarHBondContact O-N 3.26Å; E275-G278 PolarHBondContact O-N 3.22Å; E275-A279 WeakPolarHBondContact O-CB 3.45Å; E275-A279 PolarHBondContact O-N 3.22Å
276H87.7Confident86.3Confident51 Ų5162.7 Ų62.724%0.23636%0.36CS..Hα-helixtrans-66.1-41.2175.7-77.2-61.3000113.1E272 L273 G278 A279 E280 N1028 R1031E272-H276 PolarHBondContact O-CD2 2.93Å; E272-H276 PolarHBondContact O-N 3.21Å; L273-H276 PolarHBondContact O-N 3.07Å; H276-G278 VanDerWaalsContact C-N 3.35Å; H276-G278 PolarHBondContact O-N 3.41Å; H276-A279 PolarHBondContact O-N 3.41Å; H276-E280 PolarHBondContact O-N 3.39Å; H276-N1028 PolarHBondContact ND1-ND2 3Å; H276-N1028 PolarHBondContact O-ND2 3.37Å; H276-N1028 PolarHBondContact O-OD1 3.38Å; H276-R1031 WeakPolarHBondContact NE2-CG 3.36Å
277N85.5Confident86.3Confident75 Ų7563.9 Ų63.940%0.40136%0.363SS..Hα-helixtrans-60.1-43.1174.5-79.3-15.8000112.2L273 A274 E280 R1032L273-N277 WeakPolarHBondContact O-CB 3.49Å; L273-N277 VanDerWaalsContact O-CG 3.27Å; L273-N277 PolarHBondContact O-N 3.46Å; A274-N277 PolarHBondContact O-N 3.11Å; N277-E280 PolarHBondContact O-N 2.88Å; N277-R1032 WeakPolarHBondContact OD1-CD 3.32Å
278G83.6Confident86.3Confident46 Ų4665 Ų6547%0.47436%0.362SS..Hα-helixtrans-62.6-46.5176.200000111.6A274 E275 H276 E280A274-G278 PolarHBondContact O-N 2.98Å; E275-G278 PolarHBondContact O-N 3.22Å; H276-G278 VanDerWaalsContact C-N 3.35Å; H276-G278 PolarHBondContact O-N 3.41Å; G278-E280 VanDerWaalsContact C-N 3.3Å; G278-E280 PolarHBondContact O-N 2.91Å
279A84.9Confident86.4Confident36 Ų3665 Ų6530%0.29837%0.37SS..Hα-helixtrans-68.6-23.9179.500000114E275 H276 L283E275-A279 WeakPolarHBondContact O-CB 3.45Å; E275-A279 PolarHBondContact O-N 3.22Å; H276-A279 PolarHBondContact O-N 3.41Å; A279-L283 WeakPolarHBondContact O-CB 3.41Å; A279-L283 WeakPolarHBondContact O-CG 3.34Å; A279-L283 PolarHBondContact O-N 3.11Å
280E86.7Confident86.3Confident24 Ų2463.8 Ų63.811%0.11237%0.367CS..Hα-helixtrans-63-42178.7-172.3170.7-17800111.4H276 N277 G278 D282 L283 E284 L1025 R1029 R1032H276-E280 PolarHBondContact O-N 3.39Å; N277-E280 PolarHBondContact O-N 2.88Å; G278-E280 VanDerWaalsContact C-N 3.3Å; G278-E280 PolarHBondContact O-N 2.91Å; E280-D282 PolarHBondContact O-N 3.31Å; E280-L283 PolarHBondContact O-N 3.12Å; E280-E284 HydrophobicContact CG-CG 4.41Å; E280-E284 WeakPolarHBondContact O-CB 3.46Å; E280-E284 WeakPolarHBondContact O-CG 3.25Å; E280-E284 PolarHBondContact O-N 3.39Å; E280-L1025 HydrophobicContact CG-CD1 3.95Å; E280-R1029 HydrophobicContact CG-CG 4.47Å; E280-R1029 WeakPolarHBondContact OE1-CG 3.39Å; E280-R1029 IonicContact OE1-CZ 3.45Å; E280-R1029 IonicContact OE1-NE 3.86Å; E280-R1029 PolarHBondContact OE1-NE 2.86Å; E280-R1029 IonicContact OE1-NH2 2.66Å; E280-R1032 WeakPolarHBondContact OE2-CD 3.43Å; E280-R1032 IonicContact OE2-CZ 2.81Å; E280-R1032 IonicContact OE2-NE 3.99Å; E280-R1032 PolarHBondContact OE2-NE 2.89Å
281G82.7Confident86.3Confident41 Ų4163.5 Ų63.542%0.42336%0.362SS..Hα-helixtrans-63.2-42.9179.100000113.2E284 A285G281-E284 PolarHBondContact O-N 3.22Å; G281-A285 WeakPolarHBondContact O-CB 3.44Å; G281-A285 PolarHBondContact O-N 3.47Å; G281-A285 VanDerWaalsContact O-N 3.08Å
282D84.5Confident86.4Confident112 Ų11260.1 Ų60.160%0.59936%0.357SS*.Hα-helixtrans-66.6-45.4177.3-63.3-27.4000110.9E280 E284 A285 D286E280-D282 PolarHBondContact O-N 3.31Å; D282-E284 VanDerWaalsContact C-N 3.35Å; D282-E284 PolarHBondContact O-N 3.19Å; D282-A285 PolarHBondContact O-N 3.24Å; D282-D286 WeakPolarHBondContact O-CB 3.31Å; D282-D286 PolarHBondContact O-N 3Å
283L88.1Confident86.3Confident26 Ų2661.1 Ų61.114%0.13636%0.361CS..Hα-helixtrans-63.7-37.1177.5-77168.4000112.7A279 E280 Y287 L1021 Q1024 L1025 N1028A279-L283 WeakPolarHBondContact O-CB 3.41Å; A279-L283 WeakPolarHBondContact O-CG 3.34Å; A279-L283 PolarHBondContact O-N 3.11Å; E280-L283 PolarHBondContact O-N 3.12Å; L283-Y287 VanDerWaalsContact O-CB 3.23Å; L283-Y287 WeakPolarHBondContact O-CB 3.31Å; L283-Y287 PolarHBondContact O-N 3.49Å; L283-L1021 HydrophobicContact CD2-CD2 4.4Å; L283-Q1024 HydrophobicContact CD2-CB 3.97Å; L283-L1025 HydrophobicContact CB-CB 4.43Å; L283-L1025 HydrophobicContact CB-CD1 3.97Å; L283-N1028 HydrophobicContact CD1-CB 3.97Å
284E86.3Confident86.1Confident62 Ų6260.2 Ų60.229%0.2936%0.356SS..Hα-helixtrans-65.6-45.2174.9-79.7-175.6-175.500111.9E280 G281 D282 Y287 Q288 L1025 R1029E280-E284 HydrophobicContact CG-CG 4.41Å; E280-E284 WeakPolarHBondContact O-CB 3.46Å; E280-E284 WeakPolarHBondContact O-CG 3.25Å; E280-E284 PolarHBondContact O-N 3.39Å; G281-E284 PolarHBondContact O-N 3.22Å; D282-E284 VanDerWaalsContact C-N 3.35Å; D282-E284 PolarHBondContact O-N 3.19Å; E284-Y287 PolarHBondContact O-N 3.36Å; E284-Q288 WeakPolarHBondContact O-CB 3.32Å; E284-Q288 WeakPolarHBondContact O-CG 3.45Å; E284-Q288 PolarHBondContact O-N 3.02Å; E284-L1025 HydrophobicContact CG-CD1 3.66Å; E284-L1025 HydrophobicContact CG-CD2 3.94Å; E284-L1025 HydrophobicContact CG-CG 4.46Å; E284-R1029 IonicContact OE1-CZ 3.8Å; E284-R1029 IonicContact OE1-NE 3.75Å; E284-R1029 IonicContact OE1-NH2 3.61Å; E284-R1029 PolarHBondContact OE1-NH2 2.94Å
285A84.7Confident86.1Confident54 Ų5461.1 Ų61.145%0.44635%0.353SS..Hα-helixtrans-62-45.5177.400000111.2G281 D282 Q288 A289G281-A285 WeakPolarHBondContact O-CB 3.44Å; G281-A285 PolarHBondContact O-N 3.47Å; G281-A285 VanDerWaalsContact O-N 3.08Å; D282-A285 PolarHBondContact O-N 3.24Å; A285-Q288 PolarHBondContact O-N 3.39Å; A285-A289 WeakPolarHBondContact O-CB 3.23Å; A285-A289 PolarHBondContact O-N 3.12Å
286D87.8Confident85.9Confident82 Ų8259.5 Ų59.544%0.43935%0.347SS..Hα-helixtrans-64.2-42.3177.4-78.4-9.6000112.1D282 A289 A290 L1021D282-D286 WeakPolarHBondContact O-CB 3.31Å; D282-D286 PolarHBondContact O-N 3Å; D286-A289 PolarHBondContact O-N 3.23Å; D286-A290 WeakPolarHBondContact O-CB 3.37Å; D286-A290 PolarHBondContact O-N 3.39Å; D286-L1021 HydrophobicContact CB-CD1 4.15Å; D286-L1021 HydrophobicContact CB-CD2 4.1Å
287Y89.7Confident85.7Confident65 Ų6557.1 Ų57.126%0.25534%0.336SS..Hα-helixtrans-63.4-43.7176.3169.9-101.5000111.8L283 E284 A290 S291 R1018 L1021 H1022 L1025L283-Y287 VanDerWaalsContact O-CB 3.23Å; L283-Y287 WeakPolarHBondContact O-CB 3.31Å; L283-Y287 PolarHBondContact O-N 3.49Å; E284-Y287 PolarHBondContact O-N 3.36Å; Y287-A290 PolarHBondContact O-N 3.19Å; Y287-S291 WeakPolarHBondContact O-CB 3.46Å; Y287-S291 PolarHBondContact O-N 2.7Å; Y287-R1018 HydrophobicContact CD2-CG 4.08Å; Y287-R1018 HydrophobicContact CE2-CG 3.62Å; Y287-L1021 HydrophobicContact CD2-CB 4.42Å; Y287-H1022 HydrophobicContact CD2-CB 3.93Å; Y287-H1022 HydrophobicContact CE2-CB 3.66Å; Y287-H1022 AromaticContact CE2-CD2 3.91Å; Y287-H1022 AromaticContact CZ-CD2 3.99Å; Y287-L1025 HydrophobicContact CD1-CD2 4.47Å
288Q88.8Confident85.6Confident114 Ų11456.1 Ų56.153%0.53333%0.329SS..Hα-helixtrans-62-47.3175.8-75178.611.800110.9E284 A285 A290 S291 D292E284-Q288 WeakPolarHBondContact O-CB 3.32Å; E284-Q288 WeakPolarHBondContact O-CG 3.45Å; E284-Q288 PolarHBondContact O-N 3.02Å; A285-Q288 PolarHBondContact O-N 3.39Å; Q288-A290 VanDerWaalsContact C-N 3.32Å; Q288-A290 PolarHBondContact O-N 3.4Å; Q288-S291 WeakPolarHBondContact O-CB 3.36Å; Q288-S291 PolarHBondContact O-N 3.07Å; Q288-S291 VanDerWaalsContact O-N 3.11Å; Q288-D292 PolarHBondContact O-N 3.12Å
289A84.5Confident85.6Confident60 Ų6056.8 Ų56.850%0.49632%0.324SS..Hα-helixtrans-58.9-41.9176.400000112.3A285 D286 D292 H293A285-A289 WeakPolarHBondContact O-CB 3.23Å; A285-A289 PolarHBondContact O-N 3.12Å; D286-A289 PolarHBondContact O-N 3.23Å; A289-D292 PolarHBondContact O-N 3.37Å; A289-H293 WeakPolarHBondContact O-CB 3.49Å; A289-H293 PolarHBondContact O-N 3.46Å
290A86.4Confident85.4Confident13 Ų1355.1 Ų55.111%0.10731%0.31CS..Hα-helixtrans-67-36.8175.700000112.7D286 Y287 Q288 L294 R1018 L1021D286-A290 WeakPolarHBondContact O-CB 3.37Å; D286-A290 PolarHBondContact O-N 3.39Å; Y287-A290 PolarHBondContact O-N 3.19Å; Q288-A290 VanDerWaalsContact C-N 3.32Å; Q288-A290 PolarHBondContact O-N 3.4Å; A290-L294 PolarHBondContact O-N 3.17Å; A290-R1018 HydrophobicContact CB-CB 4.3Å; A290-L1021 HydrophobicContact CB-CD1 3.74Å
291S88.1Confident85.1Confident31 Ų3156.1 Ų56.122%0.21732%0.316CS..Hα-helixtrans-67.5-42.7175.4-171.50000111.9Y287 Q288 H293 L294 N295Y287-S291 WeakPolarHBondContact O-CB 3.46Å; Y287-S291 PolarHBondContact O-N 2.7Å; Q288-S291 WeakPolarHBondContact O-CB 3.36Å; Q288-S291 PolarHBondContact O-N 3.07Å; Q288-S291 VanDerWaalsContact O-N 3.11Å; S291-H293 VanDerWaalsContact C-N 3.34Å; S291-L294 PolarHBondContact O-N 3.09Å; S291-N295 PolarHBondContact O-N 3.48Å; S291-N295 VanDerWaalsContact O-N 3.11Å; S291-N295 PolarHBondContact O-ND2 3.23Å
292D86.1Confident85Confident96 Ų9661.8 Ų61.851%0.51333%0.325SS..Hα-helixtrans-64.4-41.4175.9-70.4-20000110.8Q288 A289 L294 N295 L296Q288-D292 PolarHBondContact O-N 3.12Å; A289-D292 PolarHBondContact O-N 3.37Å; D292-L294 PolarHBondContact O-N 3.34Å; D292-N295 WeakPolarHBondContact O-CB 3.48Å; D292-N295 PolarHBondContact O-N 2.97Å; D292-L296 WeakPolarHBondContact O-CG 3.26Å; D292-L296 PolarHBondContact O-N 2.96Å
293H83.8Confident84.9Confident94 Ų9457.4 Ų57.444%0.43530%0.301SS..Hα-helixtrans-61.8-43.8175.1-171.665000112.5A289 S291 N295 L296 V297A289-H293 WeakPolarHBondContact O-CB 3.49Å; A289-H293 PolarHBondContact O-N 3.46Å; S291-H293 VanDerWaalsContact C-N 3.34Å; H293-N295 VanDerWaalsContact C-N 3.29Å; H293-N295 PolarHBondContact O-N 3.03Å; H293-L296 PolarHBondContact O-N 3.14Å; H293-V297 VanDerWaalsContact O-CG2 3.3Å; H293-V297 WeakPolarHBondContact O-CG2 3.43Å; H293-V297 PolarHBondContact O-N 3.49Å
294L85.5Confident84.6Confident6 Ų659.5 Ų59.53%0.03131%0.31CS..Hα-helixtrans-58.4-42174.8177.664.1000111.7A290 S291 D292 L296 V297 Q298 E1011 A1014 R1015A290-L294 PolarHBondContact O-N 3.17Å; S291-L294 PolarHBondContact O-N 3.09Å; D292-L294 PolarHBondContact O-N 3.34Å; L294-L296 VanDerWaalsContact C-N 3.35Å; L294-L296 PolarHBondContact O-N 3.18Å; L294-V297 PolarHBondContact O-N 3.2Å; L294-Q298 HydrophobicContact CD1-CG 4.45Å; L294-Q298 WeakPolarHBondContact O-CG 3.22Å; L294-Q298 PolarHBondContact O-N 3.37Å; L294-E1011 HydrophobicContact CD1-CG 4.11Å; L294-A1014 HydrophobicContact CB-CB 4.24Å; L294-A1014 HydrophobicContact CD1-CB 3.81Å; L294-R1015 HydrophobicContact CD1-CB 4.29Å
295N85Confident84.3Confident80 Ų8061.7 Ų61.743%0.42832%0.32SS..Hα-helixtrans-63.2-40.2177.2-71.7-29.4000112.1S291 D292 H293 Q298 T299S291-N295 PolarHBondContact O-N 3.48Å; S291-N295 VanDerWaalsContact O-N 3.11Å; S291-N295 PolarHBondContact O-ND2 3.23Å; D292-N295 WeakPolarHBondContact O-CB 3.48Å; D292-N295 PolarHBondContact O-N 2.97Å; H293-N295 VanDerWaalsContact C-N 3.29Å; H293-N295 PolarHBondContact O-N 3.03Å; N295-Q298 PolarHBondContact O-N 3.09Å; N295-T299 WeakPolarHBondContact O-CB 3.24Å; N295-T299 PolarHBondContact O-N 3.16Å; N295-T299 PolarHBondContact O-OG1 3.29Å
296L83.3Confident84.2Confident81 Ų8164.2 Ų64.242%0.42432%0.321SS..Hα-helixtrans-63.5-45.5175.2-69.2171.3000111.6D292 H293 L294 Q298 T299 A300 I1002 V1004D292-L296 WeakPolarHBondContact O-CG 3.26Å; D292-L296 PolarHBondContact O-N 2.96Å; H293-L296 PolarHBondContact O-N 3.14Å; L294-L296 VanDerWaalsContact C-N 3.35Å; L294-L296 PolarHBondContact O-N 3.18Å; L296-Q298 PolarHBondContact O-N 3.32Å; L296-T299 PolarHBondContact O-N 3.36Å; L296-A300 PolarHBondContact O-N 3.32Å; L296-I1002 HydrophobicContact CB-CG2 4.38Å; L296-I1002 HydrophobicContact CD2-CG2 4.42Å; L296-V1004 HydrophobicContact CB-CG2 4.03Å
297V83.2Confident84Confident1 Ų161 Ų611%0.00630%0.304CS..Hα-helixtrans-58.6-46.2177175.10000111.3H293 L294 T299 A300 L301 V1004 A1010 E1011 A1014H293-V297 VanDerWaalsContact O-CG2 3.3Å; H293-V297 WeakPolarHBondContact O-CG2 3.43Å; H293-V297 PolarHBondContact O-N 3.49Å; L294-V297 PolarHBondContact O-N 3.2Å; V297-T299 VanDerWaalsContact C-N 3.31Å; V297-T299 PolarHBondContact O-N 3.25Å; V297-A300 PolarHBondContact O-N 3.34Å; V297-L301 HydrophobicContact CG1-CD1 4.11Å; V297-L301 PolarHBondContact O-N 3.11Å; V297-V1004 HydrophobicContact CB-CG1 4.32Å; V297-V1004 HydrophobicContact CG2-CG1 3.65Å; V297-A1010 HydrophobicContact CG1-CB 3.86Å; V297-E1011 HydrophobicContact CG1-CB 4.27Å; V297-A1014 HydrophobicContact CG2-CB 4.37Å
298Q84.4Confident83.6Confident55 Ų5563.6 Ų63.626%0.25732%0.318SS..Hα-helixtrans-65-35178.2-73.7-175.3-1900112.8L294 N295 L296 R302 E1011L294-Q298 HydrophobicContact CD1-CG 4.45Å; L294-Q298 WeakPolarHBondContact O-CG 3.22Å; L294-Q298 PolarHBondContact O-N 3.37Å; N295-Q298 PolarHBondContact O-N 3.09Å; L296-Q298 PolarHBondContact O-N 3.32Å; Q298-R302 WeakPolarHBondContact O-CG 3.32Å; Q298-R302 PolarHBondContact O-N 2.97Å; Q298-E1011 HydrophobicContact CG-CG 4.29Å; Q298-E1011 PolarHBondContact NE2-OE1 3.37Å
299T82.9Confident83.3Confident60 Ų6066.2 Ų66.237%0.36832%0.323SS..Hα-helixtrans-70.2-42.9177.7-53.30000110.9N295 L296 V297 R302 Q303 I1002N295-T299 WeakPolarHBondContact O-CB 3.24Å; N295-T299 PolarHBondContact O-N 3.16Å; N295-T299 PolarHBondContact O-OG1 3.29Å; L296-T299 PolarHBondContact O-N 3.36Å; V297-T299 VanDerWaalsContact C-N 3.31Å; V297-T299 PolarHBondContact O-N 3.25Å; T299-R302 PolarHBondContact O-N 3.31Å; T299-Q303 PolarHBondContact O-N 3.38Å; T299-Q303 VanDerWaalsContact O-N 3.1Å; T299-I1002 HydrophobicContact CG2-CD1 3.99Å
300A81.1Confident83.4Confident0 Ų066.5 Ų66.50%031%0.312CS..Hα-helixtrans-58.9-48175.500000112L296 V297 R302 Q303 Q304 L999 I1002 V1004 A1006L296-A300 PolarHBondContact O-N 3.32Å; V297-A300 PolarHBondContact O-N 3.34Å; A300-R302 VanDerWaalsContact C-N 3.32Å; A300-R302 PolarHBondContact O-N 3.09Å; A300-Q303 PolarHBondContact O-N 3.02Å; A300-Q303 VanDerWaalsContact O-N 3.15Å; A300-Q304 PolarHBondContact O-N 3.35Å; A300-L999 HydrophobicContact CB-CD1 3.84Å; A300-L999 WeakPolarHBondContact O-CD1 3.28Å; A300-I1002 HydrophobicContact CB-CG2 4.02Å; A300-V1004 HydrophobicContact CB-CB 4.35Å; A300-A1006 HydrophobicContact CB-CB 4.36Å
301L79.7Confident83.4Confident45 Ų4569.7 Ų69.724%0.23632%0.324CS..Hα-helixtrans-57.2-43.6177.7-78.7162.7000112.2V297 Q303 Q304 E305 A1006 E1011V297-L301 HydrophobicContact CG1-CD1 4.11Å; V297-L301 PolarHBondContact O-N 3.11Å; L301-Q303 PolarHBondContact O-N 3.13Å; L301-Q304 PolarHBondContact O-N 3.43Å; L301-E305 PolarHBondContact O-N 3.16Å; L301-E305 VanDerWaalsContact O-N 3.09Å; L301-A1006 HydrophobicContact CD2-CB 3.97Å; L301-A1006 HydrophobicContact CG-CB 4.11Å; L301-E1011 HydrophobicContact CD1-CB 4.05Å
302R81Confident83Confident160 Ų16071 Ų7160%0.60434%0.338SS*.Hα-helixtrans-66.1-34.8177.4-72.3179.1-170.3160.86.7113.6Q298 T299 A300 K306Q298-R302 WeakPolarHBondContact O-CG 3.32Å; Q298-R302 PolarHBondContact O-N 2.97Å; T299-R302 PolarHBondContact O-N 3.31Å; A300-R302 VanDerWaalsContact C-N 3.32Å; A300-R302 PolarHBondContact O-N 3.09Å; R302-K306 WeakPolarHBondContact O-CG 3.48Å; R302-K306 PolarHBondContact O-N 2.66Å
303Q82.3Confident83Confident21 Ų2169.3 Ų69.310%0.09833%0.328CS..Hα-helixtrans-70.8-39.9176.1-81.8178.8-9.600111T299 A300 L301 E305 K306 I307 L995 E998 L999T299-Q303 PolarHBondContact O-N 3.38Å; T299-Q303 VanDerWaalsContact O-N 3.1Å; A300-Q303 PolarHBondContact O-N 3.02Å; A300-Q303 VanDerWaalsContact O-N 3.15Å; L301-Q303 PolarHBondContact O-N 3.13Å; Q303-E305 PolarHBondContact O-N 3.38Å; Q303-K306 WeakPolarHBondContact O-CB 3.4Å; Q303-K306 PolarHBondContact O-N 2.99Å; Q303-K306 VanDerWaalsContact O-N 3.09Å; Q303-I307 WeakPolarHBondContact O-CG1 3.41Å; Q303-I307 PolarHBondContact O-N 3.26Å; Q303-L995 HydrophobicContact CG-CD2 4.49Å; Q303-E998 VanDerWaalsContact NE2-CB 3.34Å; Q303-E998 PolarHBondContact NE2-OE2 3.45Å; Q303-L999 HydrophobicContact CB-CD1 4.14Å
304Q82.6Confident83.1Confident69 Ų6965.4 Ų65.432%0.32231%0.311SS..Hα-helixtrans-59.5-45.3175.6-164.1172.5-3.200111.9A300 L301 K306 I307 E308 L999 A1006A300-Q304 PolarHBondContact O-N 3.35Å; L301-Q304 PolarHBondContact O-N 3.43Å; Q304-K306 VanDerWaalsContact C-N 3.27Å; Q304-K306 PolarHBondContact O-N 3.24Å; Q304-I307 PolarHBondContact O-N 3.47Å; Q304-E308 PolarHBondContact O-N 3.48Å; Q304-E308 VanDerWaalsContact O-N 3.16Å; Q304-L999 HydrophobicContact CB-CD2 4.31Å; Q304-L999 HydrophobicContact CG-CD2 4.47Å; Q304-A1006 VanDerWaalsContact OE1-CB 3.26Å
305E78.6Confident82.9Confident109 Ų10970.1 Ų70.151%0.50934%0.336SS..Hα-helixtrans-59.9-33.7173.7-72.5-178.9175.500113.5L301 Q303 R309L301-E305 PolarHBondContact O-N 3.16Å; L301-E305 VanDerWaalsContact O-N 3.09Å; Q303-E305 PolarHBondContact O-N 3.38Å; E305-R309 WeakPolarHBondContact O-CG 3.43Å; E305-R309 PolarHBondContact O-N 3.3Å
306K82.7Confident82.8Confident107 Ų10771.1 Ų71.147%0.46534%0.338SS..Hα-helixtrans-71.7-42.5176.7-74.1176.9-180178.30111.4R302 Q303 Q304 E308 R309 Y310 L995R302-K306 WeakPolarHBondContact O-CG 3.48Å; R302-K306 PolarHBondContact O-N 2.66Å; Q303-K306 WeakPolarHBondContact O-CB 3.4Å; Q303-K306 PolarHBondContact O-N 2.99Å; Q303-K306 VanDerWaalsContact O-N 3.09Å; Q304-K306 VanDerWaalsContact C-N 3.27Å; Q304-K306 PolarHBondContact O-N 3.24Å; K306-E308 VanDerWaalsContact C-N 3.34Å; K306-E308 PolarHBondContact O-N 3.12Å; K306-R309 PolarHBondContact O-N 3.06Å; K306-Y310 VanDerWaalsContact O-CD2 3.23Å; K306-Y310 WeakPolarHBondContact O-CD2 3.35Å; K306-Y310 PolarHBondContact O-N 3.32Å; K306-L995 HydrophobicContact CB-CD1 3.88Å; K306-L995 HydrophobicContact CB-CD2 4.47Å; K306-L995 HydrophobicContact CD-CD2 4.13Å
307I84.1Confident83Confident14 Ų1468 Ų687%0.07232%0.322CS..Hα-helixtrans-56.2-51.1178.3-70.1164.3000109.5Q303 Q304 R309 Y310 E311 L992 L995 Q996 L999Q303-I307 WeakPolarHBondContact O-CG1 3.41Å; Q303-I307 PolarHBondContact O-N 3.26Å; Q304-I307 PolarHBondContact O-N 3.47Å; I307-R309 PolarHBondContact O-N 3.06Å; I307-Y310 PolarHBondContact O-N 3.49Å; I307-E311 HydrophobicContact CG2-CG 4.36Å; I307-E311 WeakPolarHBondContact O-CG 3.38Å; I307-E311 PolarHBondContact O-N 3.47Å; I307-L992 HydrophobicContact CG2-CD1 4.07Å; I307-L992 WeakPolarHBondContact O-CD1 3.39Å; I307-L995 HydrophobicContact CD1-CB 4.26Å; I307-L995 HydrophobicContact CG1-CB 3.67Å; I307-Q996 HydrophobicContact CD1-CG 3.94Å; I307-Q996 HydrophobicContact CG1-CG 4.19Å; I307-Q996 HydrophobicContact CG2-CG 4.06Å; I307-L999 HydrophobicContact CD1-CB 4.16Å; I307-L999 HydrophobicContact CD1-CD2 3.74Å
308E81.4Confident83.1Confident119 Ų11971.9 Ų71.956%0.55634%0.34SS*.Hα-helixtrans-56-37.7179.3-69.9177.1-18000112.8Q304 K306 A312Q304-E308 PolarHBondContact O-N 3.48Å; Q304-E308 VanDerWaalsContact O-N 3.16Å; K306-E308 VanDerWaalsContact C-N 3.34Å; K306-E308 PolarHBondContact O-N 3.12Å; E308-A312 PolarHBondContact O-N 3.21Å
309R81.9Confident83.1Confident170 Ų17074 Ų7464%0.64235%0.352SS*.Hα-helixtrans-69.6-41.7176.5-69.1177.3-170.8-1796.3112.9E305 K306 I307 A312 D313E305-R309 WeakPolarHBondContact O-CG 3.43Å; E305-R309 PolarHBondContact O-N 3.3Å; K306-R309 PolarHBondContact O-N 3.06Å; I307-R309 PolarHBondContact O-N 3.06Å; R309-A312 PolarHBondContact O-N 3.04Å; R309-D313 PolarHBondContact O-N 3.33Å; R309-D313 VanDerWaalsContact O-N 3.12Å
310Y87.4Confident83.3Confident66 Ų6676.8 Ų76.826%0.25936%0.355SS..Hα-helixtrans-71.3-31.4-180-82.4-73.8000112.5K306 I307 D313 L314 K988 L991 L995K306-Y310 VanDerWaalsContact O-CD2 3.23Å; K306-Y310 WeakPolarHBondContact O-CD2 3.35Å; K306-Y310 PolarHBondContact O-N 3.32Å; I307-Y310 PolarHBondContact O-N 3.49Å; Y310-D313 PolarHBondContact O-N 3.09Å; Y310-L314 WeakPolarHBondContact O-CG 3.33Å; Y310-L314 PolarHBondContact O-N 3.47Å; Y310-L314 VanDerWaalsContact O-N 3.09Å; Y310-K988 HydrophobicContact CD1-CB 4.41Å; Y310-K988 HydrophobicContact CD1-CD 4.48Å; Y310-K988 HydrophobicContact CD1-CG 4.47Å; Y310-L991 HydrophobicContact CE1-CB 4.41Å; Y310-L991 HydrophobicContact CE1-CD2 4.41Å; Y310-L995 HydrophobicContact CD2-CD1 3.53Å; Y310-L995 HydrophobicContact CE2-CD1 3.7Å
311E86.1Confident83.6Confident79 Ų7978.1 Ų78.137%0.36936%0.362SS..Hα-helixtrans-62.6-48.5172.8-68.6178.4167.700110.5I307 D313 L314 D315 L992 Q996I307-E311 HydrophobicContact CG2-CG 4.36Å; I307-E311 WeakPolarHBondContact O-CG 3.38Å; I307-E311 PolarHBondContact O-N 3.47Å; E311-D313 VanDerWaalsContact C-N 3.33Å; E311-D313 PolarHBondContact O-N 3.29Å; E311-L314 PolarHBondContact O-N 3.48Å; E311-D315 PolarHBondContact O-N 3.16Å; E311-D315 VanDerWaalsContact O-N 3.15Å; E311-L992 HydrophobicContact CG-CD1 3.51Å; E311-L992 HydrophobicContact CG-CD2 3.99Å; E311-L992 HydrophobicContact CG-CG 4.37Å; E311-Q996 PolarHBondContact OE1-NE2 3.34Å; E311-Q996 VanDerWaalsContact OE1-NE2 3.14Å
312A80.9Confident83.7Confident60 Ų6081.1 Ų81.150%0.49638%0.375SS..Hα-helixtrans-60.3-40.7176.700000113.1E308 R309 L314 E316E308-A312 PolarHBondContact O-N 3.21Å; R309-A312 PolarHBondContact O-N 3.04Å; A312-L314 VanDerWaalsContact C-N 3.33Å; A312-L314 PolarHBondContact O-N 3.11Å; A312-E316 PolarHBondContact O-N 3.21Å
313D84.9Confident83.9Confident60 Ų6079.3 Ų79.332%0.32137%0.374SS..Hα-helixtrans-65-33.4177.2-88.14.2000113.2R309 Y310 E311 L317 K988R309-D313 PolarHBondContact O-N 3.33Å; R309-D313 VanDerWaalsContact O-N 3.12Å; Y310-D313 PolarHBondContact O-N 3.09Å; E311-D313 VanDerWaalsContact C-N 3.33Å; E311-D313 PolarHBondContact O-N 3.29Å; D313-L317 WeakPolarHBondContact O-CG 3.4Å; D313-L317 PolarHBondContact O-N 3.17Å; D313-K988 HydrophobicContact CB-CD 3.87Å; D313-K988 IonicContact OD2-NZ 3.19Å; D313-K988 PolarHBondContact OD2-NZ 3.09Å
314L85.7Confident84.3Confident12 Ų1279.8 Ų79.86%0.06338%0.376CS..Hα-helixtrans-73.6-40.2179-81.4166.3000111.9Y310 E311 A312 E316 L317 Q318 Y985 K988 K989 L992Y310-L314 WeakPolarHBondContact O-CG 3.33Å; Y310-L314 PolarHBondContact O-N 3.47Å; Y310-L314 VanDerWaalsContact O-N 3.09Å; E311-L314 PolarHBondContact O-N 3.48Å; A312-L314 VanDerWaalsContact C-N 3.33Å; A312-L314 PolarHBondContact O-N 3.11Å; L314-E316 VanDerWaalsContact C-N 3.3Å; L314-E316 PolarHBondContact O-N 2.98Å; L314-L317 PolarHBondContact O-N 3.39Å; L314-Q318 PolarHBondContact O-N 3.47Å; L314-Y985 HydrophobicContact CB-CE2 4.43Å; L314-Y985 HydrophobicContact CD2-CD2 3.73Å; L314-Y985 HydrophobicContact CD2-CE2 3.75Å; L314-Y985 HydrophobicContact CD2-CG 4.29Å; L314-Y985 WeakPolarHBondContact CD2-O 3.19Å; L314-K988 HydrophobicContact CD2-CB 3.83Å; L314-K988 HydrophobicContact CG-CB 4.15Å; L314-K989 HydrophobicContact CD1-CB 4.21Å; L314-K989 HydrophobicContact CD2-CB 3.91Å; L314-L992 HydrophobicContact CD1-CB 4.19Å; L314-L992 HydrophobicContact CD1-CD2 3.95Å
315D82.5Confident84.6Confident105 Ų10580.1 Ų80.156%0.56138%0.38SS*.Hα-helixtrans-58.6-43175.6-72.7-17000111E311 Q318 I319E311-D315 PolarHBondContact O-N 3.16Å; E311-D315 VanDerWaalsContact O-N 3.15Å; D315-Q318 PolarHBondContact O-N 2.68Å; D315-I319 WeakPolarHBondContact O-CG1 3.42Å; D315-I319 PolarHBondContact O-N 3.06Å
316E81.7Confident84.8Confident101 Ų10181.8 Ų81.847%0.47239%0.388SS..Hα-helixtrans-66.2-41.2177.3-167.9-176.6176.100112.6A312 L314 Q318 R320A312-E316 PolarHBondContact O-N 3.21Å; L314-E316 VanDerWaalsContact C-N 3.3Å; L314-E316 PolarHBondContact O-N 2.98Å; E316-Q318 VanDerWaalsContact C-N 3.33Å; E316-Q318 PolarHBondContact O-N 3.14Å; E316-R320 PolarHBondContact O-N 3.48Å; E316-R320 IonicContact OE1-CZ 2.62Å; E316-R320 IonicContact OE1-NE 3.08Å; E316-R320 IonicContact OE1-NH2 3.39Å; E316-R320 PolarHBondContact OE1-NH2 3.25Å
317L87.1Confident85Confident15 Ų1579.2 Ų79.28%0.07938%0.381CS..Hα-helixtrans-66.9-34.8178.7-78.9172.1000112.4D313 L314 R320 L321 Y985 K988D313-L317 WeakPolarHBondContact O-CG 3.4Å; D313-L317 PolarHBondContact O-N 3.17Å; L314-L317 PolarHBondContact O-N 3.39Å; L317-R320 PolarHBondContact O-N 3.41Å; L317-L321 WeakPolarHBondContact O-CB 3.35Å; L317-L321 PolarHBondContact O-N 2.94Å; L317-L321 VanDerWaalsContact O-N 3.16Å; L317-Y985 HydrophobicContact CB-CD2 3.9Å; L317-K988 HydrophobicContact CD1-CD 3.77Å; L317-K988 HydrophobicContact CD1-CG 4.37Å
318Q86.8Confident85.2Confident83 Ų8379.1 Ų79.139%0.38838%0.381SS..Hα-helixtrans-62.3-46.5178.4-172173-31.700111.5L314 D315 E316 R320 L321 E322 Y985L314-Q318 PolarHBondContact O-N 3.47Å; D315-Q318 PolarHBondContact O-N 2.68Å; E316-Q318 VanDerWaalsContact C-N 3.33Å; E316-Q318 PolarHBondContact O-N 3.14Å; Q318-R320 PolarHBondContact O-N 3.5Å; Q318-L321 WeakPolarHBondContact O-CB 3.13Å; Q318-L321 PolarHBondContact O-N 3.07Å; Q318-L321 VanDerWaalsContact O-N 3.12Å; Q318-E322 PolarHBondContact NE2-OE1 2.98Å; Q318-E322 PolarHBondContact O-N 3.2Å; Q318-E322 VanDerWaalsContact O-N 3.11Å; Q318-Y985 HydrophobicContact CB-CD2 4.47Å; Q318-Y985 HydrophobicContact CB-CE2 3.91Å; Q318-Y985 HydrophobicContact CG-CE2 4.49Å
319I83.9Confident85.2Confident99 Ų9976 Ų7651%0.50838%0.376SS..Hα-helixtrans-57.6-48.2178.5-64.7167.1000110.8D315 L321 E322 E323D315-I319 WeakPolarHBondContact O-CG1 3.42Å; D315-I319 PolarHBondContact O-N 3.06Å; I319-L321 PolarHBondContact O-N 3.15Å; I319-E322 PolarHBondContact O-N 3.38Å; I319-E323 PolarHBondContact O-N 3.45Å
320R86.8Confident85.2Confident118 Ų11874.8 Ų74.845%0.44538%0.377SS..Hα-helixtrans-62.6-31.2179.5-67-176.7-173.9179.44113.1E316 L317 Q318 Q324 L981E316-R320 PolarHBondContact O-N 3.48Å; E316-R320 IonicContact OE1-CZ 2.62Å; E316-R320 IonicContact OE1-NE 3.08Å; E316-R320 IonicContact OE1-NH2 3.39Å; E316-R320 PolarHBondContact OE1-NH2 3.25Å; L317-R320 PolarHBondContact O-N 3.41Å; Q318-R320 PolarHBondContact O-N 3.5Å; R320-Q324 WeakPolarHBondContact O-CB 3.48Å; R320-Q324 PolarHBondContact O-N 3.17Å; R320-Q324 VanDerWaalsContact O-N 3.17Å; R320-L981 HydrophobicContact CB-CD1 4.32Å; R320-L981 HydrophobicContact CB-CD2 4.16Å
321L87.4Confident85.2Confident28 Ų2872.5 Ų72.515%0.14737%0.372CS..Hα-helixtrans-75.7-35.8-178-153.7146000111.4L317 Q318 I319 N325 L981 K982L317-L321 WeakPolarHBondContact O-CB 3.35Å; L317-L321 PolarHBondContact O-N 2.94Å; L317-L321 VanDerWaalsContact O-N 3.16Å; Q318-L321 WeakPolarHBondContact O-CB 3.13Å; Q318-L321 PolarHBondContact O-N 3.07Å; Q318-L321 VanDerWaalsContact O-N 3.12Å; I319-L321 PolarHBondContact O-N 3.15Å; L321-N325 PolarHBondContact O-N 3.05Å; L321-N325 PolarHBondContact O-ND2 3.41Å; L321-L981 HydrophobicContact CD1-CB 4.23Å; L321-L981 HydrophobicContact CG-CB 4.36Å; L321-K982 VanDerWaalsContact CD1-CA 3.43Å; L321-K982 HydrophobicContact CD1-CB 3.95Å; L321-K982 HydrophobicContact CD1-CG 4.3Å
322E82.6Confident85.2Confident109 Ų10972.2 Ų72.251%0.50937%0.372SS..Hα-helixtrans-62.5-50.3171.6-70.3172.7-172.700110.7Q318 I319 Q324 N325 E326Q318-E322 PolarHBondContact NE2-OE1 2.98Å; Q318-E322 PolarHBondContact O-N 3.2Å; Q318-E322 VanDerWaalsContact O-N 3.11Å; I319-E322 PolarHBondContact O-N 3.38Å; E322-Q324 PolarHBondContact O-N 3.1Å; E322-N325 PolarHBondContact O-N 3.36Å; E322-E326 PolarHBondContact O-N 3.14Å
323E85.4Confident85.2Confident122 Ų12275.9 Ų75.957%0.5738%0.379SS*.Hα-helixtrans-57-44.4177.2-68.6177.6163.700112.8I319 N325 E326 V327I319-E323 PolarHBondContact O-N 3.45Å; E323-N325 VanDerWaalsContact C-N 3.32Å; E323-N325 PolarHBondContact O-N 3.2Å; E323-E326 PolarHBondContact O-N 3.32Å; E323-V327 PolarHBondContact O-N 3.33Å
324Q90.6Very high85.1Confident31 Ų3180.2 Ų80.215%0.14539%0.391CS..Hα-helixtrans-70.6-28.1-177.3-169.961.730.600112.9R320 E322 V328 Y974 V977 L978 L981R320-Q324 WeakPolarHBondContact O-CB 3.48Å; R320-Q324 PolarHBondContact O-N 3.17Å; R320-Q324 VanDerWaalsContact O-N 3.17Å; E322-Q324 PolarHBondContact O-N 3.1Å; Q324-V328 WeakPolarHBondContact O-CG2 3.4Å; Q324-V328 PolarHBondContact O-N 3.31Å; Q324-Y974 PolarHBondContact NE2-O 2.79Å; Q324-V977 HydrophobicContact CG-CB 4.28Å; Q324-V977 HydrophobicContact CG-CG1 3.99Å; Q324-L978 HydrophobicContact CB-CD1 4.13Å; Q324-L978 HydrophobicContact CG-CB 3.85Å; Q324-L978 HydrophobicContact CG-CD1 4.09Å; Q324-L981 HydrophobicContact CB-CD1 3.77Å; Q324-L981 HydrophobicContact CG-CD1 4.09Å
325N87.3Confident85.1Confident76 Ų7681.5 Ų81.541%0.40640%0.397SS..Hα-helixtrans-66.2-41.4174.3-83-52.1000111.6L321 E322 E323 V328 A329 L978L321-N325 PolarHBondContact O-N 3.05Å; L321-N325 PolarHBondContact O-ND2 3.41Å; E322-N325 PolarHBondContact O-N 3.36Å; E323-N325 VanDerWaalsContact C-N 3.32Å; E323-N325 PolarHBondContact O-N 3.2Å; N325-V328 PolarHBondContact O-N 2.98Å; N325-A329 PolarHBondContact O-N 3Å; N325-A329 VanDerWaalsContact O-N 3.13Å; N325-L978 VanDerWaalsContact OD1-CD1 3.26Å; N325-L978 WeakPolarHBondContact OD1-CD1 3.4Å; N325-L978 WeakPolarHBondContact OD1-CD2 3.37Å
326E82.9Confident85Confident143 Ų14382.6 Ų82.667%0.66840%0.398SS*.Hα-helixtrans-62.2-43.8178.5-66.1-174.9164.600111.5E322 E323 V328 A329 E330E322-E326 PolarHBondContact O-N 3.14Å; E323-E326 PolarHBondContact O-N 3.32Å; E326-V328 VanDerWaalsContact C-N 3.32Å; E326-V328 PolarHBondContact O-N 3.38Å; E326-A329 PolarHBondContact O-N 3.33Å; E326-A329 VanDerWaalsContact O-N 3.17Å; E326-E330 PolarHBondContact O-N 3.05Å
327V87.5Confident85Confident54 Ų5484.3 Ų84.333%0.32741%0.406SS..Hα-helixtrans-60.3-39.3177.5175.20000112.5E323 A331 Y974E323-V327 PolarHBondContact O-N 3.33Å; V327-A331 PolarHBondContact O-N 3.14Å; V327-Y974 HydrophobicContact CG1-CD1 3.77Å; V327-Y974 HydrophobicContact CG1-CD2 3.94Å; V327-Y974 HydrophobicContact CG1-CE1 3.9Å; V327-Y974 HydrophobicContact CG1-CE2 4.05Å; V327-Y974 HydrophobicContact CG1-CG 3.8Å
328V88.9Confident84.9Confident11 Ų1184.6 Ų84.67%0.06741%0.408CS..Hα-helixtrans-68.3-39.9177.71720000110.9Q324 N325 E326 A331 I332 L971 N975 L978Q324-V328 WeakPolarHBondContact O-CG2 3.4Å; Q324-V328 PolarHBondContact O-N 3.31Å; N325-V328 PolarHBondContact O-N 2.98Å; E326-V328 VanDerWaalsContact C-N 3.32Å; E326-V328 PolarHBondContact O-N 3.38Å; V328-A331 PolarHBondContact O-N 3.1Å; V328-I332 HydrophobicContact CG1-CD1 4.18Å; V328-I332 WeakPolarHBondContact O-CG1 3.49Å; V328-I332 PolarHBondContact O-N 3.1Å; V328-L971 HydrophobicContact CG1-CD1 4.39Å; V328-N975 WeakPolarHBondContact CG1-OD1 3.24Å; V328-L978 HydrophobicContact CG2-CB 4.4Å; V328-L978 HydrophobicContact CG2-CD2 4.17Å
329A81.4Confident84.6Confident54 Ų5485 Ų8545%0.44641%0.41SS..Hα-helixtrans-61.8-48179.900000112.2N325 E326 A331 I332 E333N325-A329 PolarHBondContact O-N 3Å; N325-A329 VanDerWaalsContact O-N 3.13Å; E326-A329 PolarHBondContact O-N 3.33Å; E326-A329 VanDerWaalsContact O-N 3.17Å; A329-A331 VanDerWaalsContact C-N 3.28Å; A329-A331 PolarHBondContact O-N 3.46Å; A329-I332 PolarHBondContact O-N 3.15Å; A329-E333 PolarHBondContact O-N 3.31Å
330E82.1Confident84.3Confident145 Ų14583.2 Ų83.268%0.67841%0.41SS*.Hα-helixtrans-61.5-35.5177.3-71.3-169.6161.300112.9E326 I332 R334E326-E330 PolarHBondContact O-N 3.05Å; E330-I332 VanDerWaalsContact C-N 3.3Å; E330-I332 PolarHBondContact O-N 3.43Å; E330-R334 PolarHBondContact O-N 3.05Å
331A86.7Confident84Confident17 Ų1786.3 Ų86.314%0.1442%0.421CS..Hα-helixtrans-68.9-28179.800000113V327 V328 A329 L971 Y974V327-A331 PolarHBondContact O-N 3.14Å; V328-A331 PolarHBondContact O-N 3.1Å; A329-A331 VanDerWaalsContact C-N 3.28Å; A329-A331 PolarHBondContact O-N 3.46Å; A331-L971 HydrophobicContact CB-CD1 3.75Å; A331-Y974 HydrophobicContact CB-CD2 3.76Å; A331-Y974 HydrophobicContact CB-CE2 4.08Å
332I85.6Confident83.8Confident73 Ų7385.2 Ų85.237%0.37442%0.417SS..Hα-helixtrans-70.7-50.5177.7-68.1170.1000110.6V328 A329 E330 R334 Q335 E336 L971V328-I332 HydrophobicContact CG1-CD1 4.18Å; V328-I332 WeakPolarHBondContact O-CG1 3.49Å; V328-I332 PolarHBondContact O-N 3.1Å; A329-I332 PolarHBondContact O-N 3.15Å; E330-I332 VanDerWaalsContact C-N 3.3Å; E330-I332 PolarHBondContact O-N 3.43Å; I332-R334 PolarHBondContact O-N 3.35Å; I332-Q335 WeakPolarHBondContact O-CB 3.44Å; I332-Q335 PolarHBondContact O-N 3.28Å; I332-E336 PolarHBondContact O-N 3.42Å; I332-L971 HydrophobicContact CD1-CD1 4.43Å; I332-L971 HydrophobicContact CG1-CD1 3.5Å; I332-L971 HydrophobicContact CG1-CD2 4Å; I332-L971 HydrophobicContact CG1-CG 4.41Å
333E80.4Confident83.6Confident138 Ų13886.5 Ų86.565%0.64542%0.423SS*.Hα-helixtrans-55.3-40.4-179.2-67.5-173.7163.700111.9A329 Q335 E336 E337A329-E333 PolarHBondContact O-N 3.31Å; E333-Q335 VanDerWaalsContact C-N 3.27Å; E333-Q335 PolarHBondContact O-N 2.95Å; E333-E336 PolarHBondContact O-N 3.45Å; E333-E337 PolarHBondContact O-N 3.43Å
334R83.9Confident83.1Confident150 Ų15083.8 Ų83.857%0.56642%0.421SS*.Hα-helixtrans-68.4-23.8-179.5-139.4165.6-168.891.11113.8E330 I332 N338E330-R334 PolarHBondContact O-N 3.05Å; I332-R334 PolarHBondContact O-N 3.35Å; R334-N338 PolarHBondContact O-ND2 3.05Å
335Q85.9Confident82.6Confident40 Ų4082.9 Ų82.919%0.18742%0.419CS..Hα-helixtrans-75.8-42.6175.5-176.2168.6-24.200111I332 E333 E337 N338 E339 L964I332-Q335 WeakPolarHBondContact O-CB 3.44Å; I332-Q335 PolarHBondContact O-N 3.28Å; E333-Q335 VanDerWaalsContact C-N 3.27Å; E333-Q335 PolarHBondContact O-N 2.95Å; Q335-E337 VanDerWaalsContact C-N 3.35Å; Q335-E337 PolarHBondContact O-N 3Å; Q335-N338 PolarHBondContact O-N 3.25Å; Q335-E339 PolarHBondContact O-N 3.34Å; Q335-L964 HydrophobicContact CG-CD1 4.29Å
336E80.6Confident82.2Confident127 Ų12782.4 Ų82.459%0.59341%0.414SS*.Hα-helixtrans-59.9-41.9-179.9-64.3-177.1165.500112.2I332 E333 N338 E339 A340I332-E336 PolarHBondContact O-N 3.42Å; E333-E336 PolarHBondContact O-N 3.45Å; E336-N338 VanDerWaalsContact C-N 3.31Å; E336-N338 PolarHBondContact O-N 3.41Å; E336-E339 PolarHBondContact O-N 3.05Å; E336-A340 PolarHBondContact O-N 2.97Å
337E81.5Confident81.9Confident137 Ų13781.2 Ų81.264%0.6441%0.412SS*.Hα-helixtrans-61-36.7177-69.9-172.4157.500113.5E333 Q335 R341E333-E337 PolarHBondContact O-N 3.43Å; Q335-E337 VanDerWaalsContact C-N 3.35Å; Q335-E337 PolarHBondContact O-N 3Å; E337-R341 PolarHBondContact O-N 3.18Å
338N84Confident81.3Confident21 Ų2183.5 Ų83.511%0.11242%0.419CS..Hα-helixtrans-76.7-29.2-178.5-76.2-60.4000112.4R334 Q335 E336 A342 L964 H967R334-N338 PolarHBondContact O-ND2 3.05Å; Q335-N338 PolarHBondContact O-N 3.25Å; E336-N338 VanDerWaalsContact C-N 3.31Å; E336-N338 PolarHBondContact O-N 3.41Å; N338-A342 PolarHBondContact O-N 3Å; N338-L964 HydrophobicContact CB-CB 4.3Å; N338-L964 HydrophobicContact CB-CD1 4.14Å; N338-H967 PolarHBondContact ND2-CD2 2.94Å
339E81.8Confident80.8Confident91 Ų9183 Ų8343%0.42542%0.416SS..Hα-helixtrans-63.4-50173.9-71.6-175.5169.700110.8Q335 E336 R341 A342 E343 L964Q335-E339 PolarHBondContact O-N 3.34Å; E336-E339 PolarHBondContact O-N 3.05Å; E339-R341 VanDerWaalsContact C-N 3.28Å; E339-R341 PolarHBondContact O-N 3.11Å; E339-A342 PolarHBondContact O-N 3.06Å; E339-E343 PolarHBondContact O-N 3.13Å; E339-L964 HydrophobicContact CB-CD1 4.29Å; E339-L964 HydrophobicContact CG-CD1 3.23Å; E339-L964 HydrophobicContact CG-CD2 3.85Å; E339-L964 HydrophobicContact CG-CG 4.16Å
340A76.7Confident80.5Confident62 Ų6284.8 Ų84.851%0.51242%0.418SS..Hα-helixtrans-58.4-37.9-179.400000113.1E336 A344E336-A340 PolarHBondContact O-N 2.97Å; A340-A344 PolarHBondContact O-N 2.83Å
341R81.6Confident80.1Confident183 Ų18384 Ų8469%0.69141%0.414SS*.Hα-helixtrans-66.6-36.8175.9-95.5-176.8178.2158.83.3113.4E337 E339E337-R341 PolarHBondContact O-N 3.18Å; E339-R341 VanDerWaalsContact C-N 3.28Å; E339-R341 PolarHBondContact O-N 3.11Å
342A81.6Confident79.5Confident6 Ų684.1 Ų84.15%0.0541%0.412CS..Hα-helixtrans-69.4-39.7-178.900000111.8N338 E339 E346 A960N338-A342 PolarHBondContact O-N 3Å; E339-A342 PolarHBondContact O-N 3.06Å; A342-E346 PolarHBondContact O-N 3.26Å; A342-A960 HydrophobicContact CB-CB 4.05Å
343E78.3Confident79Confident136 Ų13684.4 Ų84.464%0.63641%0.411SS*.Hα-helixtrans-64.2-44.8178.4-68.3-17416200112.8E339 A345 E346 L347E339-E343 PolarHBondContact O-N 3.13Å; E343-A345 VanDerWaalsContact C-N 3.31Å; E343-A345 PolarHBondContact O-N 2.81Å; E343-E346 PolarHBondContact O-N 2.87Å; E343-E346 VanDerWaalsContact O-N 3.12Å; E343-L347 PolarHBondContact O-N 3.26Å
344A76.1Confident78.5Confident64 Ų6480.4 Ų80.453%0.52940%0.398SS..Hα-helixtrans-59.4-42179.900000112.4A340 E346A340-A344 PolarHBondContact O-N 2.83Å; A344-E346 VanDerWaalsContact C-N 3.29Å; A344-E346 PolarHBondContact O-N 3.21Å
345A79.3Confident77.7Confident12 Ų1276.2 Ų76.210%0.09939%0.385CS..Hα-helixtrans-71.8-19.8179.300000113.5E343 V349 R957E343-A345 VanDerWaalsContact C-N 3.31Å; E343-A345 PolarHBondContact O-N 2.81Å; A345-V349 WeakPolarHBondContact O-CG2 3.46Å; A345-R957 HydrophobicContact CB-CB 4.1Å
346E79.8Confident76.8Confident66 Ų6676.5 Ų76.531%0.30839%0.388SS..Hα-helixtrans-73.1-45.7173.8-75.6-168.2-16500112.3A342 E343 A344 E348 V349 D350 R957 R961A342-E346 PolarHBondContact O-N 3.26Å; E343-E346 PolarHBondContact O-N 2.87Å; E343-E346 VanDerWaalsContact O-N 3.12Å; A344-E346 VanDerWaalsContact C-N 3.29Å; A344-E346 PolarHBondContact O-N 3.21Å; E346-E348 VanDerWaalsContact C-N 3.34Å; E346-E348 PolarHBondContact O-N 3.19Å; E346-V349 PolarHBondContact O-N 3.25Å; E346-D350 PolarHBondContact O-N 2.86Å; E346-R957 HydrophobicContact CG-CG 3.8Å; E346-R961 IonicContact OE1-CZ 2.68Å; E346-R961 IonicContact OE1-NE 3.93Å; E346-R961 PolarHBondContact OE1-NE 3.01Å; E346-R961 IonicContact OE1-NH2 2.84Å; E346-R961 PolarHBondContact OE1-NH2 3.49Å; E346-R961 IonicContact OE2-NH2 3.86Å; E346-R961 PolarHBondContact OE2-NH2 3.28Å
347L75.4Confident76.2Confident118 Ų11874.8 Ų74.862%0.61840%0.395SS*.Hα-helixtrans-59.3-43.4-177.5-79.6158.6000112.5E343 V349 D350 E351E343-L347 PolarHBondContact O-N 3.26Å; L347-V349 VanDerWaalsContact C-N 3.34Å; L347-V349 PolarHBondContact O-N 3.48Å; L347-D350 PolarHBondContact O-N 2.88Å; L347-E351 PolarHBondContact O-N 3.02Å
348E76.2Confident75.6Confident102 Ų10272 Ų7248%0.47739%0.385SS..Hα-helixtrans-63.5-38.6-178.3-172.4171.9-171.300112.6E346 L352 A953E346-E348 VanDerWaalsContact C-N 3.34Å; E346-E348 PolarHBondContact O-N 3.19Å; E348-L352 HydrophobicContact CG-CD1 4.39Å; E348-L352 WeakPolarHBondContact O-CG 3.42Å; E348-L352 PolarHBondContact O-N 3.17Å; E348-A953 HydrophobicContact CG-CB 4.09Å
349V77.3Confident74.6Confident0 Ų074.8 Ų74.80%039%0.394CS..Hα-helixtrans-65.1-41.8176.9171.10000111.3A345 E346 L347 L352 K353 L950 A953 E954 R957A345-V349 WeakPolarHBondContact O-CG2 3.46Å; E346-V349 PolarHBondContact O-N 3.25Å; L347-V349 VanDerWaalsContact C-N 3.34Å; L347-V349 PolarHBondContact O-N 3.48Å; V349-L352 PolarHBondContact O-N 3.02Å; V349-K353 HydrophobicContact CG1-CD 4.28Å; V349-K353 WeakPolarHBondContact O-CG 3.35Å; V349-K353 PolarHBondContact O-N 3.43Å; V349-L950 HydrophobicContact CG1-CD1 4.27Å; V349-A953 HydrophobicContact CG2-CB 3.64Å; V349-A953 VanDerWaalsContact CG2-O 3.31Å; V349-A953 WeakPolarHBondContact CG2-O 3.29Å; V349-E954 HydrophobicContact CG1-CG 3.67Å; V349-E954 HydrophobicContact CG2-CG 4.04Å; V349-R957 HydrophobicContact CG2-CB 4.18Å
350D76.7Confident73.8Confident93 Ų9376.7 Ų76.750%0.49740%0.403SS..Hα-helixtrans-68.4-39.2-176.1-74.8-13.3000112E346 L347 L352 K353 S354E346-D350 PolarHBondContact O-N 2.86Å; L347-D350 PolarHBondContact O-N 2.88Å; D350-L352 PolarHBondContact O-N 3.42Å; D350-K353 PolarHBondContact O-N 3.01Å; D350-S354 PolarHBondContact O-N 3.26Å; D350-S354 VanDerWaalsContact O-N 3.15Å
351E72.3Confident73.2Confident128 Ų12877.3 Ų77.360%0.59840%0.395SS*.Hα-helixtrans-61.6-44.6176-73.3-170.3165.900112.5L347 K353 S354 Q355L347-E351 PolarHBondContact O-N 3.02Å; E351-K353 VanDerWaalsContact C-N 3.34Å; E351-K353 PolarHBondContact O-N 3.35Å; E351-S354 WeakPolarHBondContact O-CB 3.32Å; E351-S354 PolarHBondContact O-N 2.71Å; E351-Q355 WeakPolarHBondContact O-CG 3.49Å; E351-Q355 PolarHBondContact O-N 3.46Å
352L73.7Confident72.1Confident19 Ų1969 Ų6910%0.09937%0.365CS..Hα-helixtrans-67-35.1-179.5-70.4168.8000112.1E348 V349 D350 R949 L950 A953E348-L352 HydrophobicContact CG-CD1 4.39Å; E348-L352 WeakPolarHBondContact O-CG 3.42Å; E348-L352 PolarHBondContact O-N 3.17Å; V349-L352 PolarHBondContact O-N 3.02Å; D350-L352 PolarHBondContact O-N 3.42Å; L352-R949 HydrophobicContact CD1-CB 4.11Å; L352-R949 HydrophobicContact CD2-CB 3.95Å; L352-L950 HydrophobicContact CB-CB 4.18Å; L352-L950 HydrophobicContact CB-CD1 3.66Å; L352-A953 HydrophobicContact CD1-CB 3.87Å
353K75.5Confident71Confident80 Ų8071.5 Ų71.535%0.34838%0.378SS..Hα-helixtrans-65.5-42.1174.6-74.5-177.7179.5175.80112.4V349 D350 E351 Q355 L356 A357 L950 E954V349-K353 HydrophobicContact CG1-CD 4.28Å; V349-K353 WeakPolarHBondContact O-CG 3.35Å; V349-K353 PolarHBondContact O-N 3.43Å; D350-K353 PolarHBondContact O-N 3.01Å; E351-K353 VanDerWaalsContact C-N 3.34Å; E351-K353 PolarHBondContact O-N 3.35Å; K353-Q355 PolarHBondContact O-N 3.25Å; K353-L356 PolarHBondContact O-N 2.65Å; K353-A357 PolarHBondContact O-N 3.3Å; K353-L950 HydrophobicContact CD-CD1 4.42Å; K353-L950 HydrophobicContact CG-CD1 3.51Å; K353-L950 HydrophobicContact CG-CD2 3.91Å; K353-L950 HydrophobicContact CG-CG 4.36Å; K353-E954 WeakPolarHBondContact CE-OE1 3.3Å; K353-E954 IonicContact NZ-OE1 3.03Å; K353-E954 PolarHBondContact NZ-OE1 2.89Å
354S71.2Confident70.4Confident54 Ų5468.8 Ų68.838%0.37837%0.368SS..Hα-helixtrans-58.2-48.4179.8-172.40000111.3D350 E351 L356 A357 Q361D350-S354 PolarHBondContact O-N 3.26Å; D350-S354 VanDerWaalsContact O-N 3.15Å; E351-S354 WeakPolarHBondContact O-CB 3.32Å; E351-S354 PolarHBondContact O-N 2.71Å; S354-L356 VanDerWaalsContact C-N 3.29Å; S354-L356 PolarHBondContact O-N 2.95Å; S354-A357 PolarHBondContact O-N 2.69Å; S354-A357 VanDerWaalsContact O-N 3.09Å; S354-Q361 PolarHBondContact O-OE1 2.92Å; S354-Q361 PolarHBondContact OG-OE1 3.23Å; S354-Q361 VanDerWaalsContact OG-OE1 3.09Å
355Q66.1Low69.8Low62 Ų6268.2 Ų68.229%0.2936%0.358SS..Hα-helixtrans-63.5-29.3-178.1-67.2175.820.800114.1E351 K353 L946E351-Q355 WeakPolarHBondContact O-CG 3.49Å; E351-Q355 PolarHBondContact O-N 3.46Å; K353-Q355 PolarHBondContact O-N 3.25Å; Q355-L946 HydrophobicContact CB-CD1 4.2Å; Q355-L946 HydrophobicContact CB-CD2 4.29Å; Q355-L946 VanDerWaalsContact OE1-CD2 3.29Å
356L66.1Low69.2Low46 Ų4669.6 Ų69.624%0.24136%0.362CS..Hα-helixtrans-77.9-21.4177.1-91.6158.5000113.6K353 S354 L946 R947 L950K353-L356 PolarHBondContact O-N 2.65Å; S354-L356 VanDerWaalsContact C-N 3.29Å; S354-L356 PolarHBondContact O-N 2.95Å; L356-L946 HydrophobicContact CD1-CB 4.14Å; L356-L946 HydrophobicContact CD2-CB 3.94Å; L356-L946 HydrophobicContact CG-CB 3.74Å; L356-R947 HydrophobicContact CD1-CG 4.03Å; L356-R947 HydrophobicContact CD2-CG 3.66Å; L356-L950 HydrophobicContact CD1-CB 4.4Å; L356-L950 HydrophobicContact CD1-CD2 3.94Å
357A69.6Low68.5Low91 Ų9172 Ų7275%0.75237%0.373SS*.Hα-helixtrans-84.3-33.1-175.500000113.1K353 S354K353-A357 PolarHBondContact O-N 3.3Å; S354-A357 PolarHBondContact O-N 2.69Å; S354-A357 VanDerWaalsContact O-N 3.09Å
358D68Low68.3Low78 Ų7869.5 Ų69.542%0.41736%0.363SS..  trans-128.4104.5-172.4-161.6-16.2000112Q360 Q361 A362D358-Q360 PolarHBondContact O-N 3.21Å; D358-Q360 VanDerWaalsContact OD1-CB 3.29Å; D358-Q360 WeakPolarHBondContact OD1-CB 3.2Å; D358-Q360 PolarHBondContact OD1-N 2.81Å; D358-Q360 VanDerWaalsContact OD1-N 3.15Å; D358-Q361 HydrophobicContact CB-CB 4.32Å; D358-Q361 HydrophobicContact CB-CG 4.27Å; D358-Q361 WeakPolarHBondContact O-CB 3.21Å; D358-Q361 PolarHBondContact O-N 3.2Å; D358-Q361 VanDerWaalsContact O-N 3.1Å; D358-A362 PolarHBondContact O-N 3.5Å
359Y64.4Low67.8Low80 Ų8069 Ų6931%0.31436%0.356SS..Hα-helixtrans-64.2-24.2-179.7-163.6-94000112.2A362 L363 N939 L942Y359-A362 WeakPolarHBondContact O-CB 3.28Å; Y359-A362 PolarHBondContact O-N 3.28Å; Y359-L363 HydrophobicContact CD1-CD1 4.36Å; Y359-L363 HydrophobicContact CE1-CD1 4.26Å; Y359-L363 PolarHBondContact O-N 3.46Å; Y359-L363 VanDerWaalsContact O-N 3.13Å; Y359-N939 PolarHBondContact OH-O 2.93Å; Y359-N939 PolarHBondContact OH-OD1 3.4Å; Y359-L942 HydrophobicContact CE2-CD2 4.14Å
360Q63.7Low67.1Low130 Ų13071 Ų7161%0.60737%0.373SS*.Hα-helixtrans-65.1-41.7174.8-144.489.78.300110.6D358 A362 L363 D364D358-Q360 PolarHBondContact O-N 3.21Å; D358-Q360 VanDerWaalsContact OD1-CB 3.29Å; D358-Q360 WeakPolarHBondContact OD1-CB 3.2Å; D358-Q360 PolarHBondContact OD1-N 2.81Å; D358-Q360 VanDerWaalsContact OD1-N 3.15Å; Q360-A362 VanDerWaalsContact C-N 3.26Å; Q360-A362 PolarHBondContact O-N 2.84Å; Q360-L363 WeakPolarHBondContact O-CB 3.44Å; Q360-L363 PolarHBondContact O-N 3Å; Q360-L363 VanDerWaalsContact O-N 3.12Å; Q360-D364 PolarHBondContact O-N 3.45Å
361Q63.5Low66.6Low75 Ų7570.8 Ų70.835%0.3537%0.371SS..Hα-helixtrans-60.7-37.7173.2-84-174.7-5.600111.6S354 D358 L363 D364 V365S354-Q361 PolarHBondContact O-OE1 2.92Å; S354-Q361 PolarHBondContact OG-OE1 3.23Å; S354-Q361 VanDerWaalsContact OG-OE1 3.09Å; D358-Q361 HydrophobicContact CB-CB 4.32Å; D358-Q361 HydrophobicContact CB-CG 4.27Å; D358-Q361 WeakPolarHBondContact O-CB 3.21Å; D358-Q361 PolarHBondContact O-N 3.2Å; D358-Q361 VanDerWaalsContact O-N 3.1Å; Q361-L363 VanDerWaalsContact C-N 3.28Å; Q361-L363 PolarHBondContact O-N 3.5Å; Q361-D364 PolarHBondContact O-N 3.37Å; Q361-V365 VanDerWaalsContact O-CG2 3.28Å; Q361-V365 WeakPolarHBondContact O-CG2 3.31Å; Q361-V365 PolarHBondContact O-N 3.42Å
362A58.8Low66.8Low8 Ų867.2 Ų67.27%0.06635%0.354CS..Hα-helixtrans-65.5-33.2177.800000112.3D358 Y359 Q360 Q366 L942D358-A362 PolarHBondContact O-N 3.5Å; Y359-A362 WeakPolarHBondContact O-CB 3.28Å; Y359-A362 PolarHBondContact O-N 3.28Å; Q360-A362 VanDerWaalsContact C-N 3.26Å; Q360-A362 PolarHBondContact O-N 2.84Å; A362-Q366 PolarHBondContact O-N 3.28Å; A362-L942 HydrophobicContact CB-CD2 3.56Å
363L58.3Low66.9Low60 Ų6070 Ų7031%0.31436%0.364SS..Hα-helixtrans-70.7-41.4171-107.6158.6000112.3Y359 Q360 Q361 V365 Q366 Q367 L936Y359-L363 HydrophobicContact CD1-CD1 4.36Å; Y359-L363 HydrophobicContact CE1-CD1 4.26Å; Y359-L363 PolarHBondContact O-N 3.46Å; Y359-L363 VanDerWaalsContact O-N 3.13Å; Q360-L363 WeakPolarHBondContact O-CB 3.44Å; Q360-L363 PolarHBondContact O-N 3Å; Q360-L363 VanDerWaalsContact O-N 3.12Å; Q361-L363 VanDerWaalsContact C-N 3.28Å; Q361-L363 PolarHBondContact O-N 3.5Å; L363-V365 VanDerWaalsContact C-N 3.26Å; L363-V365 PolarHBondContact O-N 3.2Å; L363-Q366 WeakPolarHBondContact O-CA 3.29Å; L363-Q366 WeakPolarHBondContact O-CB 3.41Å; L363-Q366 PolarHBondContact O-N 2.94Å; L363-Q367 PolarHBondContact O-N 3.33Å; L363-L936 HydrophobicContact CD2-CD2 4.35Å
364D66.8Low67Low78 Ų7871.2 Ų71.242%0.41737%0.374SS..Hα-helixtrans-62.6-35.9175-69.9-21.1000111.2Q360 Q361 Q366 Q367 T368Q360-D364 PolarHBondContact O-N 3.45Å; Q361-D364 PolarHBondContact O-N 3.37Å; D364-Q366 VanDerWaalsContact C-N 3.27Å; D364-Q366 PolarHBondContact O-N 3.47Å; D364-Q367 CarbonylContact O-C 3.54Å; D364-Q367 WeakPolarHBondContact O-CB 3.31Å; D364-Q367 PolarHBondContact O-N 3.11Å; D364-T368 WeakPolarHBondContact O-CB 2.84Å; D364-T368 PolarHBondContact O-N 2.92Å; D364-T368 PolarHBondContact O-OG1 3.39Å
365V63.5Low67.4Low53 Ų5373.1 Ų73.132%0.32138%0.377SS..Hα-helixtrans-61.1-35.7171.4170.30000111.2Q361 L363 T368 R369Q361-V365 VanDerWaalsContact O-CG2 3.28Å; Q361-V365 WeakPolarHBondContact O-CG2 3.31Å; Q361-V365 PolarHBondContact O-N 3.42Å; L363-V365 VanDerWaalsContact C-N 3.26Å; L363-V365 PolarHBondContact O-N 3.2Å; V365-T368 WeakPolarHBondContact O-CB 3.34Å; V365-T368 PolarHBondContact O-N 3.04Å; V365-R369 WeakPolarHBondContact O-CG 3.49Å; V365-R369 PolarHBondContact O-N 3.49Å; V365-R369 VanDerWaalsContact O-N 3.13Å
366Q65.6Low67.9Low41 Ų4170.2 Ų70.219%0.19236%0.364CS..Hα-helixtrans-71.3-38.5173.5-65.4-722.200112.3A362 L363 D364 T368 R369 A370A362-Q366 PolarHBondContact O-N 3.28Å; L363-Q366 WeakPolarHBondContact O-CA 3.29Å; L363-Q366 WeakPolarHBondContact O-CB 3.41Å; L363-Q366 PolarHBondContact O-N 2.94Å; D364-Q366 VanDerWaalsContact C-N 3.27Å; D364-Q366 PolarHBondContact O-N 3.47Å; Q366-T368 VanDerWaalsContact C-N 3.27Å; Q366-T368 PolarHBondContact O-N 3.12Å; Q366-R369 VanDerWaalsContact NE2-NH1 3.19Å; Q366-R369 WeakPolarHBondContact O-CB 3.39Å; Q366-R369 PolarHBondContact O-N 3.11Å; Q366-A370 PolarHBondContact O-N 3.08Å
367Q66.5Low68.6Low116 Ų11671.1 Ų71.154%0.54237%0.368SS..Hα-helixtrans-62.2-37.4170.4-70.7-170.8-3.900111.8L363 D364 R369 A370 I371L363-Q367 PolarHBondContact O-N 3.33Å; D364-Q367 CarbonylContact O-C 3.54Å; D364-Q367 WeakPolarHBondContact O-CB 3.31Å; D364-Q367 PolarHBondContact O-N 3.11Å; Q367-R369 VanDerWaalsContact C-N 3.27Å; Q367-R369 PolarHBondContact O-N 3.46Å; Q367-A370 WeakPolarHBondContact O-CB 3.48Å; Q367-A370 PolarHBondContact O-N 3.05Å; Q367-A370 VanDerWaalsContact O-N 3.14Å; Q367-I371 WeakPolarHBondContact O-CG1 3.43Å; Q367-I371 PolarHBondContact O-N 2.91Å
368T69.7Low69.3Low65 Ų6569 Ų6940%0.39935%0.351SS..Hα-helixtrans-61-38.2176.3-53.50000110.8D364 V365 Q366 I371 Q372D364-T368 WeakPolarHBondContact O-CB 2.84Å; D364-T368 PolarHBondContact O-N 2.92Å; D364-T368 PolarHBondContact O-OG1 3.39Å; V365-T368 WeakPolarHBondContact O-CB 3.34Å; V365-T368 PolarHBondContact O-N 3.04Å; Q366-T368 VanDerWaalsContact C-N 3.27Å; Q366-T368 PolarHBondContact O-N 3.12Å; T368-I371 PolarHBondContact O-N 3.04Å; T368-Q372 VanDerWaalsContact O-CG 3.22Å; T368-Q372 WeakPolarHBondContact O-CG 3.43Å; T368-Q372 PolarHBondContact O-N 2.91Å
369R67.6Low69.8Low91 Ų9165.3 Ų65.334%0.34333%0.331SS..Hα-helixtrans-65-37.7175-69.3171-175.2179.9-0.5112.8V365 Q366 Q367 Q372 Y373 Y929V365-R369 WeakPolarHBondContact O-CG 3.49Å; V365-R369 PolarHBondContact O-N 3.49Å; V365-R369 VanDerWaalsContact O-N 3.13Å; Q366-R369 VanDerWaalsContact NE2-NH1 3.19Å; Q366-R369 WeakPolarHBondContact O-CB 3.39Å; Q366-R369 PolarHBondContact O-N 3.11Å; Q367-R369 VanDerWaalsContact C-N 3.27Å; Q367-R369 PolarHBondContact O-N 3.46Å; R369-Q372 PolarHBondContact O-N 3.04Å; R369-Y373 PolarHBondContact O-N 3.23Å; R369-Y373 VanDerWaalsContact O-N 3.13Å; R369-Y929 HydrophobicContact CB-CD2 4.09Å; R369-Y929 HydrophobicContact CB-CE2 4.48Å; R369-Y929 HydrophobicContact CB-CG 4.36Å; R369-Y929 HydrophobicContact CG-CD2 4.38Å; R369-Y929 HydrophobicContact CG-CE2 4.3Å
370A60.9Low70.7Confident42 Ų4262.7 Ų62.735%0.34732%0.322SS..Hα-helixtrans-65.8-37173.800000112.3Q366 Q367 N374Q366-A370 PolarHBondContact O-N 3.08Å; Q367-A370 WeakPolarHBondContact O-CB 3.48Å; Q367-A370 PolarHBondContact O-N 3.05Å; Q367-A370 VanDerWaalsContact O-N 3.14Å; A370-N374 PolarHBondContact O-N 3.45Å
371I67.1Low71.7Confident90 Ų9060.4 Ų60.446%0.46231%0.314SS..Hα-helixtrans-66.3-42.9173.5-65.7167.9000110.8Q367 T368 Y373 N374 Q375Q367-I371 WeakPolarHBondContact O-CG1 3.43Å; Q367-I371 PolarHBondContact O-N 2.91Å; T368-I371 PolarHBondContact O-N 3.04Å; I371-Y373 VanDerWaalsContact C-N 3.3Å; I371-Y373 PolarHBondContact O-N 3.25Å; I371-N374 PolarHBondContact O-N 3.4Å; I371-N374 VanDerWaalsContact O-N 3.14Å; I371-Q375 HydrophobicContact CG2-CG 4.4Å; I371-Q375 WeakPolarHBondContact O-CG 3.43Å; I371-Q375 PolarHBondContact O-N 3.44Å
372Q75.5Confident72.5Confident52 Ų5262.3 Ų62.324%0.24332%0.318CS..Hα-helixtrans-60.9-36.5179.5-74.3168-6.800112.5T368 R369 Q375 A376 H926 Y929T368-Q372 VanDerWaalsContact O-CG 3.22Å; T368-Q372 WeakPolarHBondContact O-CG 3.43Å; T368-Q372 PolarHBondContact O-N 2.91Å; R369-Q372 PolarHBondContact O-N 3.04Å; Q372-Q375 PolarHBondContact O-N 3.16Å; Q372-A376 PolarHBondContact O-N 2.99Å; Q372-H926 HydrophobicContact CB-CB 4.4Å; Q372-Y929 HydrophobicContact CB-CD2 4.33Å; Q372-Y929 HydrophobicContact CB-CE2 4.4Å
373Y76.5Confident73.6Confident79 Ų7962 Ų6231%0.3132%0.315SS..Hα-helixtrans-60.5-46.9172.6178.6-100.5000112R369 I371 Q375 A376 I377 H926R369-Y373 PolarHBondContact O-N 3.23Å; R369-Y373 VanDerWaalsContact O-N 3.13Å; I371-Y373 VanDerWaalsContact C-N 3.3Å; I371-Y373 PolarHBondContact O-N 3.25Å; Y373-Q375 VanDerWaalsContact C-N 3.31Å; Y373-Q375 PolarHBondContact O-N 3.49Å; Y373-A376 WeakPolarHBondContact O-CB 3.28Å; Y373-A376 PolarHBondContact O-N 3.03Å; Y373-I377 HydrophobicContact CD1-CD1 4.11Å; Y373-I377 HydrophobicContact CE1-CD1 3.57Å; Y373-I377 PolarHBondContact O-N 3.1Å; Y373-H926 WeakPolarHBondContact CD2-O 3.34Å
374N78.6Confident74.7Confident104 Ų10462 Ų6256%0.55631%0.313SS*.Hα-helixtrans-63.9-36.4177.3-71.5-32.3000112.4A370 I371 I377 A378A370-N374 PolarHBondContact O-N 3.45Å; I371-N374 PolarHBondContact O-N 3.4Å; I371-N374 VanDerWaalsContact O-N 3.14Å; N374-I377 PolarHBondContact O-N 2.94Å; N374-A378 PolarHBondContact O-N 3.24Å; N374-A378 VanDerWaalsContact O-N 3.15Å
375Q79Confident75.5Confident95 Ų9565.2 Ų65.244%0.44433%0.325SS..Hα-helixtrans-66.7-35.9174.9-70.4177.9-1.600112.5I371 Q372 Y373 I377 A378 A379I371-Q375 HydrophobicContact CG2-CG 4.4Å; I371-Q375 WeakPolarHBondContact O-CG 3.43Å; I371-Q375 PolarHBondContact O-N 3.44Å; Q372-Q375 PolarHBondContact O-N 3.16Å; Y373-Q375 VanDerWaalsContact C-N 3.31Å; Y373-Q375 PolarHBondContact O-N 3.49Å; Q375-I377 VanDerWaalsContact C-N 3.32Å; Q375-I377 PolarHBondContact O-N 3.37Å; Q375-A378 PolarHBondContact O-N 3.35Å; Q375-A379 WeakPolarHBondContact O-CB 3.33Å; Q375-A379 PolarHBondContact O-N 3.13Å
376A77.3Confident76.3Confident0 Ų066.2 Ų66.20%033%0.328CS..Hα-helixtrans-62.2-40.9175.900000111.5Q372 Y373 A379 L380 R923 H926 F927Q372-A376 PolarHBondContact O-N 2.99Å; Y373-A376 WeakPolarHBondContact O-CB 3.28Å; Y373-A376 PolarHBondContact O-N 3.03Å; A376-A379 WeakPolarHBondContact O-CB 3.46Å; A376-A379 PolarHBondContact O-N 2.85Å; A376-L380 PolarHBondContact O-N 3.27Å; A376-L380 VanDerWaalsContact O-N 3.1Å; A376-R923 HydrophobicContact CB-CB 3.94Å; A376-H926 HydrophobicContact CB-CB 4.01Å; A376-F927 HydrophobicContact CB-CD1 4.22Å; A376-F927 HydrophobicContact CB-CD2 4.07Å; A376-F927 HydrophobicContact CB-CE1 3.88Å; A376-F927 HydrophobicContact CB-CE2 3.74Å; A376-F927 HydrophobicContact CB-CG 4.32Å; A376-F927 HydrophobicContact CB-CZ 3.64Å; A376-F927 WeakPolarHBondContact O-CZ 3.28Å
377I79Confident77.2Confident66 Ų6664.7 Ų64.734%0.33832%0.322SS..Hα-helixtrans-62.5-43.4173.7-65172.7000111.2Y373 N374 Q375 A379 L380 N381 F927Y373-I377 HydrophobicContact CD1-CD1 4.11Å; Y373-I377 HydrophobicContact CE1-CD1 3.57Å; Y373-I377 PolarHBondContact O-N 3.1Å; N374-I377 PolarHBondContact O-N 2.94Å; Q375-I377 VanDerWaalsContact C-N 3.32Å; Q375-I377 PolarHBondContact O-N 3.37Å; I377-A379 VanDerWaalsContact C-N 3.34Å; I377-A379 PolarHBondContact O-N 2.89Å; I377-L380 PolarHBondContact O-N 3.44Å; I377-N381 PolarHBondContact O-N 3.04Å; I377-N381 PolarHBondContact O-ND2 2.97Å; I377-F927 HydrophobicContact CG1-CE1 4.18Å
378A84.8Confident77.8Confident46 Ų4666.8 Ų66.838%0.3833%0.332SS..Hα-helixtrans-64.4-38.2177.500000112.7N374 Q375 N381 R382N374-A378 PolarHBondContact O-N 3.24Å; N374-A378 VanDerWaalsContact O-N 3.15Å; Q375-A378 PolarHBondContact O-N 3.35Å; A378-N381 PolarHBondContact O-N 2.93Å; A378-R382 PolarHBondContact O-N 2.97Å; A378-R382 VanDerWaalsContact O-N 3.11Å
379A79.5Confident78.4Confident0 Ų064.8 Ų64.80%032%0.319CS..Hα-helixtrans-62-44.5176.500000111.7Q375 A376 I377 N381 R382 A383 V920Q375-A379 WeakPolarHBondContact O-CB 3.33Å; Q375-A379 PolarHBondContact O-N 3.13Å; A376-A379 WeakPolarHBondContact O-CB 3.46Å; A376-A379 PolarHBondContact O-N 2.85Å; I377-A379 VanDerWaalsContact C-N 3.34Å; I377-A379 PolarHBondContact O-N 2.89Å; A379-N381 VanDerWaalsContact C-N 3.27Å; A379-N381 PolarHBondContact O-N 2.75Å; A379-R382 WeakPolarHBondContact O-CB 3.49Å; A379-R382 PolarHBondContact O-N 3.39Å; A379-R382 VanDerWaalsContact O-N 3.1Å; A379-A383 PolarHBondContact O-N 3.34Å; A379-V920 HydrophobicContact CB-CG2 4.3Å; A379-V920 WeakPolarHBondContact O-CG2 3.32Å
380L82.8Confident78.9Confident26 Ų2665 Ų6514%0.13633%0.332CS..Hα-helixtrans-57-43.4177.9-174.271.6000110.9A376 I377 A383 K384 L392 V920 F927A376-L380 PolarHBondContact O-N 3.27Å; A376-L380 VanDerWaalsContact O-N 3.1Å; I377-L380 PolarHBondContact O-N 3.44Å; L380-A383 PolarHBondContact O-N 3.48Å; L380-K384 WeakPolarHBondContact O-CG 3.39Å; L380-K384 PolarHBondContact O-N 3.19Å; L380-L392 HydrophobicContact CD1-CD2 4.04Å; L380-L392 HydrophobicContact CD1-CG 4.25Å; L380-V920 HydrophobicContact CB-CG1 4.45Å; L380-V920 HydrophobicContact CD1-CG1 3.56Å; L380-F927 HydrophobicContact CB-CZ 4.4Å
381N83.8Confident79.6Confident82 Ų8270 Ų7044%0.43935%0.353SS..Hα-helixtrans-66.3-38.1177.1-68.8-27.7000112.6I377 A378 A379 K384 E385I377-N381 PolarHBondContact O-N 3.04Å; I377-N381 PolarHBondContact O-ND2 2.97Å; A378-N381 PolarHBondContact O-N 2.93Å; A379-N381 VanDerWaalsContact C-N 3.27Å; A379-N381 PolarHBondContact O-N 2.75Å; N381-K384 WeakPolarHBondContact O-CB 3.25Å; N381-K384 PolarHBondContact O-N 3.38Å; N381-E385 PolarHBondContact O-N 3.11Å
382R81.1Confident80.3Confident115 Ų11565.8 Ų65.843%0.43433%0.331SS..Hα-helixtrans-63.8-41.7177.8-129.5-173-71152.2-7.7112.3A378 A379 K384 E385 L386 E919A378-R382 PolarHBondContact O-N 2.97Å; A378-R382 VanDerWaalsContact O-N 3.11Å; A379-R382 WeakPolarHBondContact O-CB 3.49Å; A379-R382 PolarHBondContact O-N 3.39Å; A379-R382 VanDerWaalsContact O-N 3.1Å; R382-K384 VanDerWaalsContact C-N 3.34Å; R382-K384 PolarHBondContact O-N 3.4Å; R382-E385 PolarHBondContact O-N 3.23Å; R382-L386 PolarHBondContact O-N 3.5Å; R382-L386 VanDerWaalsContact O-N 3.13Å; R382-E919 IonicContact CZ-OE1 3.91Å; R382-E919 IonicContact CZ-OE2 2.95Å; R382-E919 VanDerWaalsContact NH1-CD 3.29Å; R382-E919 IonicContact NH1-OE1 3.28Å; R382-E919 PolarHBondContact NH1-OE1 3.23Å; R382-E919 IonicContact NH1-OE2 2.84Å; R382-E919 PolarHBondContact NH1-OE2 3.34Å
383A81.7Confident80.6Confident0 Ų066.7 Ų66.70%034%0.34CS..Hα-helixtrans-65.7-36.1176.800000112.4A379 L380 E385 C387 L392 A916 L917 V920A379-A383 PolarHBondContact O-N 3.34Å; L380-A383 PolarHBondContact O-N 3.48Å; A383-E385 VanDerWaalsContact C-N 3.29Å; A383-E385 PolarHBondContact O-N 3.04Å; A383-C387 VanDerWaalsContact O-CB 3.28Å; A383-C387 WeakPolarHBondContact O-CB 3.34Å; A383-C387 PolarHBondContact O-N 2.98Å; A383-C387 PolarHBondContact O-SG 2.96Å; A383-L392 HydrophobicContact CB-CD2 3.62Å; A383-A916 HydrophobicContact CB-CB 4.46Å; A383-L917 HydrophobicContact CB-CD2 4.23Å; A383-V920 HydrophobicContact CB-CG2 3.52Å
384K81.9Confident80.6Confident61 Ų6164.1 Ų64.127%0.26534%0.336SS..Hα-helixtrans-56.8-42.7174-71.1-175.3176.2-148.60112.2L380 N381 R382 H388 L389 P390 L392L380-K384 WeakPolarHBondContact O-CG 3.39Å; L380-K384 PolarHBondContact O-N 3.19Å; N381-K384 WeakPolarHBondContact O-CB 3.25Å; N381-K384 PolarHBondContact O-N 3.38Å; R382-K384 VanDerWaalsContact C-N 3.34Å; R382-K384 PolarHBondContact O-N 3.4Å; K384-H388 WeakPolarHBondContact O-CA 3.06Å; K384-H388 PolarHBondContact O-N 3.29Å; K384-L389 WeakPolarHBondContact CG-O 3.43Å; K384-L389 PolarHBondContact O-N 2.89Å; K384-P390 PolarHBondContact NZ-O 3.39Å; K384-L392 HydrophobicContact CD-CB 4.48Å; K384-L392 WeakPolarHBondContact CE-O 3.36Å; K384-L392 HydrophobicContact CG-CB 3.72Å; K384-L392 HydrophobicContact CG-CD2 4.16Å; K384-L392 PolarHBondContact NZ-O 3.16Å
385E83.8Confident80.7Confident145 Ų14564.8 Ų64.868%0.67834%0.339SS*.Hα-helixtrans-71.5-52.4-178.9-69.9177.4172.500112.3N381 R382 A383 C387 H388N381-E385 PolarHBondContact O-N 3.11Å; R382-E385 PolarHBondContact O-N 3.23Å; A383-E385 VanDerWaalsContact C-N 3.29Å; A383-E385 PolarHBondContact O-N 3.04Å; E385-C387 VanDerWaalsContact C-N 3.33Å; E385-C387 PolarHBondContact O-N 3.12Å; E385-H388 PolarHBondContact O-N 3.37Å; E385-H388 PolarHBondContact O-ND1 3Å
386L80.3Confident80.7Confident74 Ų7461.4 Ų61.439%0.38733%0.326SS..Hα-helixtrans-68.5-30.6-174.7-73172.2000113.6R382 A916R382-L386 PolarHBondContact O-N 3.5Å; R382-L386 VanDerWaalsContact O-N 3.13Å; L386-A916 HydrophobicContact CB-CB 4.17Å; L386-A916 HydrophobicContact CD1-CB 3.62Å
387C83.3Confident81Confident10 Ų1061.4 Ų61.47%0.06833%0.326CS..THydrogen-bonded Turntrans-96.1-4.7-179.9-55.70000112.8A383 E385 L389 F404 L917A383-C387 VanDerWaalsContact O-CB 3.28Å; A383-C387 WeakPolarHBondContact O-CB 3.34Å; A383-C387 PolarHBondContact O-N 2.98Å; A383-C387 PolarHBondContact O-SG 2.96Å; E385-C387 VanDerWaalsContact C-N 3.33Å; E385-C387 PolarHBondContact O-N 3.12Å; C387-L389 HydrophobicContact CB-CD1 3.75Å; C387-L389 HydrophobicContact CB-CG 3.98Å; C387-F404 HydrophobicContact CB-CE2 3.99Å; C387-F404 HydrophobicContact CB-CZ 4.02Å; C387-L917 HydrophobicContact CB-CD1 4.5Å; C387-L917 VanDerWaalsContact SG-CD1 3.58Å; C387-L917 VanDerWaalsContact SG-CG 3.57Å
388H79.2Confident81.1Confident160 Ų16059.9 Ų59.974%0.74132%0.323SS*.THydrogen-bonded Turntrans55.944.8-173-55.4-51.8000113.9K384 E385 P390K384-H388 WeakPolarHBondContact O-CA 3.06Å; K384-H388 PolarHBondContact O-N 3.29Å; E385-H388 PolarHBondContact O-N 3.37Å; E385-H388 PolarHBondContact O-ND1 3Å; H388-P390 WeakPolarHBondContact O-CD 3.41Å
389L83.1Confident81Confident23 Ų2364.6 Ų64.612%0.1234%0.337CS..  trans-120.985.6-175.1-66.7173.6000111.9K384 C387 D391 L392 W400K384-L389 WeakPolarHBondContact CG-O 3.43Å; K384-L389 PolarHBondContact O-N 2.89Å; C387-L389 HydrophobicContact CB-CD1 3.75Å; C387-L389 HydrophobicContact CB-CG 3.98Å; L389-D391 VanDerWaalsContact C-N 3.3Å; L389-D391 PolarHBondContact O-N 3.3Å; L389-L392 HydrophobicContact CB-CB 4.32Å; L389-L392 HydrophobicContact CD1-CD1 4.2Å; L389-L392 PolarHBondContact O-N 3.1Å; L389-W400 HydrophobicContact CD1-CB 3.93Å; L389-W400 HydrophobicContact CD1-CD2 3.3Å; L389-W400 HydrophobicContact CD1-CE3 3.62Å; L389-W400 HydrophobicContact CD1-CG 3.45Å; L389-W400 VanDerWaalsContact CD1-CG 3.45Å; L389-W400 HydrophobicContact CD1-CZ2 4.41Å; L389-W400 HydrophobicContact CD1-CZ3 4.28Å; L389-W400 HydrophobicContact CD2-CD2 3.94Å; L389-W400 HydrophobicContact CD2-CE3 3.94Å; L389-W400 HydrophobicContact CD2-CH2 3.5Å; L389-W400 VanDerWaalsContact CD2-CH2 3.5Å; L389-W400 HydrophobicContact CD2-CZ2 3.5Å; L389-W400 HydrophobicContact CD2-CZ3 3.72Å; L389-W400 HydrophobicContact CG-CD2 4.26Å; L389-W400 HydrophobicContact CG-CE3 4.41Å
390P76.7Confident81.3Confident96 Ų9669.5 Ų69.562%0.62336%0.356SS*.THydrogen-bonded Turntrans-64-30.9-176.121.8-30.4000114.1K384 H388 L392K384-P390 PolarHBondContact NZ-O 3.39Å; H388-P390 WeakPolarHBondContact O-CD 3.41Å; P390-L392 VanDerWaalsContact C-N 3.33Å; P390-L392 PolarHBondContact O-N 3.45Å
391D77.3Confident81.4Confident146 Ų14669 Ų6978%0.78135%0.353SS*.THydrogen-bonded Turntrans-88.59.5-176.8-60.6-27000114L389 T393L389-D391 VanDerWaalsContact C-N 3.3Å; L389-D391 PolarHBondContact O-N 3.3Å; D391-T393 PolarHBondContact O-N 2.9Å
392L80.4Confident81.3Confident1 Ų171.7 Ų71.71%0.00536%0.363CS..  trans-58.9126.2179-167.978.5000111.2L380 A383 K384 L389 P390 A397 W400 L917L380-L392 HydrophobicContact CD1-CD2 4.04Å; L380-L392 HydrophobicContact CD1-CG 4.25Å; A383-L392 HydrophobicContact CB-CD2 3.62Å; K384-L392 HydrophobicContact CD-CB 4.48Å; K384-L392 WeakPolarHBondContact CE-O 3.36Å; K384-L392 HydrophobicContact CG-CB 3.72Å; K384-L392 HydrophobicContact CG-CD2 4.16Å; K384-L392 PolarHBondContact NZ-O 3.16Å; L389-L392 HydrophobicContact CB-CB 4.32Å; L389-L392 HydrophobicContact CD1-CD1 4.2Å; L389-L392 PolarHBondContact O-N 3.1Å; P390-L392 VanDerWaalsContact C-N 3.33Å; P390-L392 PolarHBondContact O-N 3.45Å; L392-A397 HydrophobicContact CD1-CB 4.26Å; L392-W400 HydrophobicContact CD1-CB 4.25Å; L392-W400 HydrophobicContact CD1-CG 4.08Å; L392-L917 HydrophobicContact CD1-CD2 3.88Å; L392-L917 HydrophobicContact CD2-CD2 4.06Å
393T82.2Confident81.5Confident71 Ų7169.7 Ų69.744%0.43636%0.364SS..  trans-113.6162.8171.159.90000110D391 D395 S396 A397D391-T393 PolarHBondContact O-N 2.9Å; T393-D395 PolarHBondContact O-N 2.9Å; T393-S396 PolarHBondContact N-OG 3.07Å; T393-S396 PolarHBondContact O-N 3.37Å; T393-S396 PolarHBondContact O-OG 3.3Å; T393-S396 WeakPolarHBondContact OG1-CB 3.32Å; T393-S396 PolarHBondContact OG1-N 3.12Å; T393-S396 VanDerWaalsContact OG1-N 3.14Å; T393-S396 PolarHBondContact OG1-OG 3.44Å; T393-S396 VanDerWaalsContact OG1-OG 3.08Å; T393-A397 PolarHBondContact O-N 3.46Å; T393-A397 VanDerWaalsContact O-N 3.07Å
394A77.4Confident81.7Confident26 Ų2670.4 Ų70.422%0.21537%0.367CS..THydrogen-bonded Turntrans-59-28.5176.500000112.2F927A394-F927 HydrophobicContact CB-CD2 4.27Å; A394-F927 HydrophobicContact CB-CE2 4.07Å; A394-F927 HydrophobicContact CB-CZ 4.21Å
395D80.6Confident81.7Confident117 Ų11771.3 Ų71.363%0.62637%0.372SS*.THydrogen-bonded Turntrans-80.6-37.6176.5-68.2-42.3000113T393 A397 R924T393-D395 PolarHBondContact O-N 2.9Å; D395-A397 VanDerWaalsContact C-N 3.33Å; D395-A397 PolarHBondContact O-N 2.87Å; D395-R924 IonicContact OD1-CZ 3.19Å; D395-R924 IonicContact OD1-NE 3.8Å; D395-R924 IonicContact OD1-NH2 2.93Å; D395-R924 PolarHBondContact OD1-NH2 2.85Å
396S79Confident81.7Confident24 Ų2467.2 Ų67.217%0.16836%0.363CS..THydrogen-bonded Turntrans-78.9-11.6178.972.50000114T393 A398 E399 W400T393-S396 PolarHBondContact N-OG 3.07Å; T393-S396 PolarHBondContact O-N 3.37Å; T393-S396 PolarHBondContact O-OG 3.3Å; T393-S396 WeakPolarHBondContact OG1-CB 3.32Å; T393-S396 PolarHBondContact OG1-N 3.12Å; T393-S396 VanDerWaalsContact OG1-N 3.14Å; T393-S396 PolarHBondContact OG1-OG 3.44Å; T393-S396 VanDerWaalsContact OG1-OG 3.08Å; S396-A398 VanDerWaalsContact C-N 3.27Å; S396-A398 PolarHBondContact O-N 2.92Å; S396-E399 PolarHBondContact O-N 3.28Å; S396-W400 VanDerWaalsContact O-CD1 3.29Å; S396-W400 PolarHBondContact O-N 3.05Å
397A82.7Confident81.8Confident0 Ų069.2 Ų69.20%037%0.369CS..Hα-helixtrans-62.9-29.4-17500000114.1L392 T393 D395 L401 V920 V921L392-A397 HydrophobicContact CD1-CB 4.26Å; T393-A397 PolarHBondContact O-N 3.46Å; T393-A397 VanDerWaalsContact O-N 3.07Å; D395-A397 VanDerWaalsContact C-N 3.33Å; D395-A397 PolarHBondContact O-N 2.87Å; A397-L401 PolarHBondContact O-N 3.38Å; A397-V920 HydrophobicContact CB-CB 4.21Å; A397-V920 HydrophobicContact CB-CG1 3.67Å; A397-V921 HydrophobicContact CB-CG2 4.09Å
398A81.2Confident81.6Confident35 Ų3570.9 Ų70.929%0.28938%0.375SS..Hα-helixtrans-68.6-43.1178.900000112.6S396 W400 L401 E402 V921S396-A398 VanDerWaalsContact C-N 3.27Å; S396-A398 PolarHBondContact O-N 2.92Å; A398-W400 VanDerWaalsContact C-N 3.34Å; A398-W400 PolarHBondContact O-N 3.5Å; A398-L401 WeakPolarHBondContact O-CB 3.31Å; A398-L401 PolarHBondContact O-N 2.82Å; A398-E402 PolarHBondContact O-N 2.85Å; A398-V921 HydrophobicContact CB-CG2 4.35Å
399E83Confident81.7Confident144 Ų14468.5 Ų68.567%0.67337%0.368SS*.Hα-helixtrans-63.3-42.4177.1-70.8-177.8161.800111.2S396 L401 E402 T403S396-E399 PolarHBondContact O-N 3.28Å; E399-L401 VanDerWaalsContact C-N 3.32Å; E399-L401 PolarHBondContact O-N 3.33Å; E399-E402 PolarHBondContact O-N 3.23Å; E399-T403 PolarHBondContact O-N 3.05Å; E399-T403 PolarHBondContact O-OG1 2.91Å
400W86.2Confident81.7Confident103 Ų10373 Ų7339%0.3939%0.388SS..Hα-helixtrans-65.3-35.7177.1-74.7108.5000112.4L389 L392 S396 A398 E402 T403 F404 L917L389-W400 HydrophobicContact CD1-CB 3.93Å; L389-W400 HydrophobicContact CD1-CD2 3.3Å; L389-W400 HydrophobicContact CD1-CE3 3.62Å; L389-W400 HydrophobicContact CD1-CG 3.45Å; L389-W400 VanDerWaalsContact CD1-CG 3.45Å; L389-W400 HydrophobicContact CD1-CZ2 4.41Å; L389-W400 HydrophobicContact CD1-CZ3 4.28Å; L389-W400 HydrophobicContact CD2-CD2 3.94Å; L389-W400 HydrophobicContact CD2-CE3 3.94Å; L389-W400 HydrophobicContact CD2-CH2 3.5Å; L389-W400 VanDerWaalsContact CD2-CH2 3.5Å; L389-W400 HydrophobicContact CD2-CZ2 3.5Å; L389-W400 HydrophobicContact CD2-CZ3 3.72Å; L389-W400 HydrophobicContact CG-CD2 4.26Å; L389-W400 HydrophobicContact CG-CE3 4.41Å; L392-W400 HydrophobicContact CD1-CB 4.25Å; L392-W400 HydrophobicContact CD1-CG 4.08Å; S396-W400 VanDerWaalsContact O-CD1 3.29Å; S396-W400 PolarHBondContact O-N 3.05Å; A398-W400 VanDerWaalsContact C-N 3.34Å; A398-W400 PolarHBondContact O-N 3.5Å; W400-E402 VanDerWaalsContact C-N 3.34Å; W400-E402 PolarHBondContact O-N 3.39Å; W400-T403 WeakPolarHBondContact CA-OG1 3.38Å; W400-T403 PolarHBondContact O-N 3.32Å; W400-T403 PolarHBondContact O-OG1 2.97Å; W400-F404 WeakPolarHBondContact O-CD2 3.29Å; W400-F404 PolarHBondContact O-N 3.46Å; W400-L917 HydrophobicContact CB-CD1 4.02Å; W400-L917 HydrophobicContact CB-CD2 3.93Å
401L83.9Confident81.9Confident16 Ų1669 Ų698%0.08436%0.363CS..Hα-helixtrans-58.5-45.2176.2176.660.6000111.7A397 A398 E399 T403 F404 Q405 A914 L917 T918 V921A397-L401 PolarHBondContact O-N 3.38Å; A398-L401 WeakPolarHBondContact O-CB 3.31Å; A398-L401 PolarHBondContact O-N 2.82Å; E399-L401 VanDerWaalsContact C-N 3.32Å; E399-L401 PolarHBondContact O-N 3.33Å; L401-T403 VanDerWaalsContact C-N 3.3Å; L401-T403 PolarHBondContact O-N 3.15Å; L401-F404 PolarHBondContact O-N 2.93Å; L401-F404 VanDerWaalsContact O-N 3.16Å; L401-Q405 HydrophobicContact CD1-CG 3.99Å; L401-Q405 HydrophobicContact CG-CG 4.26Å; L401-Q405 WeakPolarHBondContact O-CG 3.3Å; L401-Q405 PolarHBondContact O-N 3.5Å; L401-A914 HydrophobicContact CD1-CB 4.31Å; L401-A914 WeakPolarHBondContact CD1-O 3.38Å; L401-L917 HydrophobicContact CB-CB 4.05Å; L401-L917 HydrophobicContact CD1-CB 3.94Å; L401-T918 WeakPolarHBondContact CD1-OG1 3.49Å; L401-V921 HydrophobicContact CD2-CB 4.36Å; L401-V921 HydrophobicContact CD2-CG2 4.09Å
402E83.3Confident82Confident139 Ų13963.6 Ų63.665%0.6534%0.336SS*.Hα-helixtrans-57.5-43.3177.8-72.9-174.2170.400111.6A398 E399 W400 F404 Q405 A406A398-E402 PolarHBondContact O-N 2.85Å; E399-E402 PolarHBondContact O-N 3.23Å; W400-E402 VanDerWaalsContact C-N 3.34Å; W400-E402 PolarHBondContact O-N 3.39Å; E402-F404 VanDerWaalsContact C-N 3.34Å; E402-F404 PolarHBondContact O-N 3.4Å; E402-Q405 PolarHBondContact O-N 2.93Å; E402-A406 PolarHBondContact O-N 3.31Å
403T84.8Confident81.9Confident72 Ų7270.2 Ų70.244%0.44237%0.366SS..Hα-helixtrans-60.5-37.9176.817.10000114E399 W400 L401E399-T403 PolarHBondContact O-N 3.05Å; E399-T403 PolarHBondContact O-OG1 2.91Å; W400-T403 WeakPolarHBondContact CA-OG1 3.38Å; W400-T403 PolarHBondContact O-N 3.32Å; W400-T403 PolarHBondContact O-OG1 2.97Å; L401-T403 VanDerWaalsContact C-N 3.3Å; L401-T403 PolarHBondContact O-N 3.15Å
404F85.1Confident81.7Confident15 Ų1572.7 Ų72.77%0.06637%0.371CS..Hα-helixtrans-81.9-29.8179.5-78.5-85.3000112.6C387 W400 L401 E402 A406 K407 E408 Q913 A914 L917C387-F404 HydrophobicContact CB-CE2 3.99Å; C387-F404 HydrophobicContact CB-CZ 4.02Å; W400-F404 WeakPolarHBondContact O-CD2 3.29Å; W400-F404 PolarHBondContact O-N 3.46Å; L401-F404 PolarHBondContact O-N 2.93Å; L401-F404 VanDerWaalsContact O-N 3.16Å; E402-F404 VanDerWaalsContact C-N 3.34Å; E402-F404 PolarHBondContact O-N 3.4Å; F404-A406 VanDerWaalsContact C-N 3.34Å; F404-K407 HydrophobicContact CD1-CD 4.31Å; F404-K407 WeakPolarHBondContact O-CB 3.07Å; F404-K407 PolarHBondContact O-N 2.88Å; F404-E408 PolarHBondContact O-N 3.29Å; F404-E408 VanDerWaalsContact O-N 3.13Å; F404-Q913 HydrophobicContact CD1-CB 3.41Å; F404-Q913 VanDerWaalsContact CD1-CB 3.41Å; F404-Q913 HydrophobicContact CD1-CG 4.22Å; F404-Q913 VanDerWaalsContact CD1-OE1 3.26Å; F404-Q913 HydrophobicContact CE1-CB 3.7Å; F404-Q913 HydrophobicContact CE1-CG 4.07Å; F404-Q913 HydrophobicContact CG-CB 4.1Å; F404-A914 HydrophobicContact CB-CB 4.06Å; F404-L917 HydrophobicContact CB-CD1 4.31Å; F404-L917 HydrophobicContact CD2-CD1 3.34Å; F404-L917 HydrophobicContact CE2-CD1 3.9Å; F404-L917 HydrophobicContact CG-CD1 4.07Å
405Q82.5Confident81.7Confident81 Ų8172.8 Ų72.838%0.37937%0.368SS..Hα-helixtrans-64.1-38.7170.5-74.7178.8-15.700112L401 E402 K407 E408 L409 A914L401-Q405 HydrophobicContact CD1-CG 3.99Å; L401-Q405 HydrophobicContact CG-CG 4.26Å; L401-Q405 WeakPolarHBondContact O-CG 3.3Å; L401-Q405 PolarHBondContact O-N 3.5Å; E402-Q405 PolarHBondContact O-N 2.93Å; Q405-K407 VanDerWaalsContact C-N 3.28Å; Q405-K407 PolarHBondContact O-N 3.26Å; Q405-E408 WeakPolarHBondContact O-CB 3.41Å; Q405-E408 PolarHBondContact O-N 3.01Å; Q405-E408 VanDerWaalsContact O-N 3.13Å; Q405-L409 PolarHBondContact O-N 3.35Å; Q405-A914 HydrophobicContact CG-CB 4.33Å
406A83.1Confident81.6Confident59 Ų5971.8 Ų71.849%0.48836%0.362SS..Hα-helixtrans-59.8-38.717400000112.3E402 F404 L409 E410E402-A406 PolarHBondContact O-N 3.31Å; F404-A406 VanDerWaalsContact C-N 3.34Å; A406-L409 PolarHBondContact O-N 3.37Å; A406-E410 PolarHBondContact O-N 2.95Å
407K82.1Confident81.5Confident116 Ų11673.4 Ų73.450%0.50437%0.373SS..Hα-helixtrans-66.5-35.3174.5-70.4179.6179.1175.10112.9F404 Q405 A411 A910F404-K407 HydrophobicContact CD1-CD 4.31Å; F404-K407 WeakPolarHBondContact O-CB 3.07Å; F404-K407 PolarHBondContact O-N 2.88Å; Q405-K407 VanDerWaalsContact C-N 3.28Å; Q405-K407 PolarHBondContact O-N 3.26Å; K407-A411 PolarHBondContact O-N 2.9Å; K407-A910 HydrophobicContact CB-CB 4.28Å
408E80.4Confident81.3Confident44 Ų4474.7 Ų74.721%0.20638%0.38CS..Hα-helixtrans-67.2-40.2175.6-175.3-178.7176.800112F404 Q405 A411 T412 A910 R911F404-E408 PolarHBondContact O-N 3.29Å; F404-E408 VanDerWaalsContact O-N 3.13Å; Q405-E408 WeakPolarHBondContact O-CB 3.41Å; Q405-E408 PolarHBondContact O-N 3.01Å; Q405-E408 VanDerWaalsContact O-N 3.13Å; E408-A411 PolarHBondContact O-N 3.48Å; E408-T412 PolarHBondContact O-N 3.11Å; E408-T412 PolarHBondContact O-OG1 3.37Å; E408-A910 HydrophobicContact CB-CB 4.24Å; E408-R911 HydrophobicContact CG-CB 4.34Å; E408-R911 WeakPolarHBondContact OE1-CD 3.2Å; E408-R911 WeakPolarHBondContact OE1-CG 3.36Å; E408-R911 IonicContact OE1-NE 2.67Å
409L81.2Confident80.9Confident111 Ų11177.1 Ų77.158%0.58139%0.385SS*.Hα-helixtrans-61.9-45.9176.2-82.3161.1000112.3Q405 A406 A411 T412 E413Q405-L409 PolarHBondContact O-N 3.35Å; A406-L409 PolarHBondContact O-N 3.37Å; L409-A411 VanDerWaalsContact C-N 3.28Å; L409-A411 PolarHBondContact O-N 2.85Å; L409-T412 VanDerWaalsContact CA-OG1 3.25Å; L409-T412 WeakPolarHBondContact CA-OG1 3.47Å; L409-T412 PolarHBondContact O-N 3.29Å; L409-T412 PolarHBondContact O-OG1 3.15Å; L409-E413 PolarHBondContact O-N 2.95Å
410E82.3Confident80.4Confident116 Ų11677.4 Ų77.454%0.54239%0.387SS..Hα-helixtrans-62.2-36.7178.2-163.5-169.815600112A406A406-E410 PolarHBondContact O-N 2.95Å
411A81.2Confident79.7Confident13 Ų1378.6 Ų78.611%0.10739%0.394CS..Hα-helixtrans-71.1-33.317700000113.1K407 E408 L409 Q907K407-A411 PolarHBondContact O-N 2.9Å; E408-A411 PolarHBondContact O-N 3.48Å; L409-A411 VanDerWaalsContact C-N 3.28Å; L409-A411 PolarHBondContact O-N 2.85Å; A411-Q907 HydrophobicContact CB-CB 4Å; A411-Q907 HydrophobicContact CB-CG 4.37Å
412T78.9Confident79Confident33 Ų3380.4 Ų80.420%0.20240%0.403CS..Hα-helixtrans-73.4-39.3177.4270000112.6E408 L409 K414 M415 L416 Q907E408-T412 PolarHBondContact O-N 3.11Å; E408-T412 PolarHBondContact O-OG1 3.37Å; L409-T412 VanDerWaalsContact CA-OG1 3.25Å; L409-T412 WeakPolarHBondContact CA-OG1 3.47Å; L409-T412 PolarHBondContact O-N 3.29Å; L409-T412 PolarHBondContact O-OG1 3.15Å; T412-K414 VanDerWaalsContact C-N 3.33Å; T412-K414 PolarHBondContact O-N 2.91Å; T412-M415 WeakPolarHBondContact O-CB 3.19Å; T412-M415 PolarHBondContact O-N 3.39Å; T412-L416 PolarHBondContact O-N 2.87Å; T412-L416 VanDerWaalsContact O-N 3.15Å; T412-Q907 HydrophobicContact CG2-CG 3.8Å
413E79.2Confident78.2Confident139 Ų13977.1 Ų77.165%0.6540%0.395SS*.Hα-helixtrans-60.3-41.4176.4-76.9-173.2164.900112.4L409 M415 L416 S417L409-E413 PolarHBondContact O-N 2.95Å; E413-M415 VanDerWaalsContact C-N 3.32Å; E413-M415 PolarHBondContact O-N 2.89Å; E413-L416 PolarHBondContact O-N 2.94Å; E413-S417 PolarHBondContact O-N 3.28Å
414K76.9Confident77.2Confident123 Ų12380.7 Ų80.754%0.53541%0.409SS..Hα-helixtrans-58.9-42.5175-86.3175.4177.7158.70112.3T412 S417T412-K414 VanDerWaalsContact C-N 3.33Å; T412-K414 PolarHBondContact O-N 2.91Å; K414-S417 PolarHBondContact O-N 2.98Å; K414-S417 PolarHBondContact O-OG 3.48Å
415M78.6Confident76.3Confident28 Ų2881.7 Ų81.714%0.13842%0.42CS..Hα-helixtrans-64-45.8179.7-173.6-161.277.600112.2T412 E413 S417 L418 E419 Y900 S903T412-M415 WeakPolarHBondContact O-CB 3.19Å; T412-M415 PolarHBondContact O-N 3.39Å; E413-M415 VanDerWaalsContact C-N 3.32Å; E413-M415 PolarHBondContact O-N 2.89Å; M415-S417 VanDerWaalsContact C-N 3.32Å; M415-S417 PolarHBondContact O-N 3.29Å; M415-L418 PolarHBondContact O-N 3.3Å; M415-E419 PolarHBondContact O-N 3.37Å; M415-Y900 HydrophobicContact CG-CD2 4.06Å; M415-Y900 HydrophobicContact CG-CE2 3.59Å; M415-Y900 HydrophobicContact SD-CE2 4.34Å; M415-S903 PolarHBondContact N-OG 3.28Å
416L77Confident75.5Confident97 Ų9783.9 Ų83.951%0.50843%0.43SS..Hα-helixtrans-62-37.5179.7-76.5161.3000112.7T412 E413 L418 E419 Q420T412-L416 PolarHBondContact O-N 2.87Å; T412-L416 VanDerWaalsContact O-N 3.15Å; E413-L416 PolarHBondContact O-N 2.94Å; L416-L418 PolarHBondContact O-N 3.23Å; L416-E419 PolarHBondContact O-N 2.94Å; L416-Q420 PolarHBondContact O-N 3.49Å
417S78.4Confident74.6Confident57 Ų5784.9 Ų84.940%0.39943%0.43SS..Hα-helixtrans-63.8-28.9178.477.80000113.5E413 K414 M415E413-S417 PolarHBondContact O-N 3.28Å; K414-S417 PolarHBondContact O-N 2.98Å; K414-S417 PolarHBondContact O-OG 3.48Å; M415-S417 VanDerWaalsContact C-N 3.32Å; M415-S417 PolarHBondContact O-N 3.29Å
418L78.1Confident73.9Confident28 Ų2881.7 Ų81.715%0.14743%0.425CS..Hα-helixtrans-79.1-34.6177.5-69.4167.6000111.5M415 L416 K421 M422 D899 Y900M415-L418 PolarHBondContact O-N 3.3Å; L416-L418 PolarHBondContact O-N 3.23Å; L418-K421 PolarHBondContact O-N 3.04Å; L418-M422 PolarHBondContact O-N 3.47Å; L418-D899 HydrophobicContact CD1-CB 4.1Å; L418-D899 HydrophobicContact CD2-CB 4.09Å; L418-Y900 HydrophobicContact CB-CD2 4.37Å
419E73.5Confident73.5Confident86 Ų8684.1 Ų84.140%0.40244%0.437SS..Hα-helixtrans-65.6-41.5177.6-164.1172.7-167.500112.5M415 L416 K421 M422 S423 Y900M415-E419 PolarHBondContact O-N 3.37Å; L416-E419 PolarHBondContact O-N 2.94Å; E419-K421 PolarHBondContact O-N 2.92Å; E419-M422 PolarHBondContact O-N 3.39Å; E419-S423 PolarHBondContact O-N 3.28Å; E419-Y900 HydrophobicContact CB-CE2 4.22Å
420Q72.5Confident73Confident150 Ų15082.1 Ų82.170%0.70143%0.432SS*.Hα-helixtrans-59.9-41.1175.4-93.5-174.7-10.500113.4L416 M422 S423L416-Q420 PolarHBondContact O-N 3.49Å; Q420-M422 VanDerWaalsContact C-N 3.27Å; Q420-M422 PolarHBondContact O-N 2.85Å; Q420-S423 PolarHBondContact O-N 2.81Å
421K71.4Confident72.8Confident127 Ų12781.3 Ų81.355%0.55243%0.428SS*.Hα-helixtrans-65.8-32-179.8-70.1-179.9-173.6176.60112.3L418 E419 L896L418-K421 PolarHBondContact O-N 3.04Å; E419-K421 PolarHBondContact O-N 2.92Å; K421-L896 HydrophobicContact CB-CD2 3.52Å; K421-L896 HydrophobicContact CD-CD2 4.41Å
422M69.3Low72.9Confident54 Ų5481.2 Ų81.227%0.26643%0.426SS..Hα-helixtrans-68.8-38.5178.2-166174.66700112.1L418 E419 Q420 M424 F893 K897L418-M422 PolarHBondContact O-N 3.47Å; E419-M422 PolarHBondContact O-N 3.39Å; Q420-M422 VanDerWaalsContact C-N 3.27Å; Q420-M422 PolarHBondContact O-N 2.85Å; M422-M424 PolarHBondContact O-N 2.94Å; M422-F893 HydrophobicContact CG-CE2 3.74Å; M422-F893 HydrophobicContact CG-CZ 4.06Å; M422-K897 HydrophobicContact SD-CG 4.28Å
423S65.4Low72.9Confident70 Ų7082 Ų8249%0.4943%0.427SS..Hα-helixtrans-61-42.5177.5160.20000113.3E419 Q420 A425 Q426E419-S423 PolarHBondContact O-N 3.28Å; Q420-S423 PolarHBondContact O-N 2.81Å; S423-A425 PolarHBondContact O-N 3.21Å; S423-Q426 PolarHBondContact O-N 3.39Å
424M63.8Low73.1Confident148 Ų14881.1 Ų81.173%0.72942%0.423SS*.Hα-helixtrans-65.6-39.5-177.3-68.1179.467.400112.7M422 Q426 T427M422-M424 PolarHBondContact O-N 2.94Å; M424-Q426 VanDerWaalsContact C-N 3.28Å; M424-Q426 PolarHBondContact O-N 3.45Å; M424-T427 PolarHBondContact O-N 2.96Å
425A65.7Low73.4Confident36 Ų3675.2 Ų75.230%0.29840%0.397SS..Hα-helixtrans-66.2-29.1-179.400000113S423 F893S423-A425 PolarHBondContact O-N 3.21Å; A425-F893 HydrophobicContact CB-CD2 3.98Å
426Q66Low73.6Confident127 Ų12776 Ų7659%0.59340%0.399SS*.Hα-helixtrans-73-30.3-177.6-161.7170.6-2.200113.1S423 M424 F893S423-Q426 PolarHBondContact O-N 3.39Å; M424-Q426 VanDerWaalsContact C-N 3.28Å; M424-Q426 PolarHBondContact O-N 3.45Å; Q426-F893 HydrophobicContact CB-CE2 4.37Å
427T65Low74Confident79 Ų7977.6 Ų77.649%0.48540%0.404SS..Hα-helixtrans-75.4-35-177.5-51.80000112.6M424 H429 S430M424-T427 PolarHBondContact O-N 2.96Å; T427-H429 VanDerWaalsContact C-N 3.27Å; T427-H429 PolarHBondContact O-N 2.8Å; T427-S430 PolarHBondContact O-OG 3.26Å; T427-S430 VanDerWaalsContact O-OG 3.1Å
428A66.8Low74.3Confident49 Ų4976.3 Ų76.341%0.40539%0.392SS..Hα-helixtrans-65.1-32.1178.600000112.5P890A428-P890 HydrophobicContact CB-CG 4.3Å
429H71.5Confident74.8Confident95 Ų9575 Ų7544%0.4439%0.385SS..Hα-helixtrans-69.4-37.4-178.3-173.269.7000113.2T427 P890T427-H429 VanDerWaalsContact C-N 3.27Å; T427-H429 PolarHBondContact O-N 2.8Å; H429-P890 HydrophobicContact CB-CG 4.2Å
430S72.3Confident75.2Confident70 Ų7073 Ų7349%0.4938%0.379SS..Hα-helixtrans-72.8-33-17659.20000114.1T427T427-S430 PolarHBondContact O-OG 3.26Å; T427-S430 VanDerWaalsContact O-OG 3.1Å
431Q78.3Confident75.7Confident99 Ų9968.3 Ų68.346%0.46337%0.366SS..Hα-helixtrans-71.2-33.4-178.3-68.1-177.3-10.100112.5Q434 A435 V885Q431-Q434 PolarHBondContact O-N 3.4Å; Q431-A435 PolarHBondContact O-N 3.32Å; Q431-V885 HydrophobicContact CB-CG1 3.92Å; Q431-V885 HydrophobicContact CB-CG2 4.49Å
432F81.5Confident76.3Confident11 Ų1163.2 Ų63.25%0.04835%0.345CS..Hα-helixtrans-61.5-44.2176.5-176.8-86.1000112Q434 A435 Y436 V885 L886F432-Q434 VanDerWaalsContact C-N 3.35Å; F432-Q434 PolarHBondContact O-N 2.98Å; F432-A435 PolarHBondContact O-N 3.08Å; F432-Y436 PolarHBondContact O-N 3.32Å; F432-Y436 VanDerWaalsContact O-N 3.16Å; F432-V885 HydrophobicContact CB-CG1 4.15Å; F432-V885 WeakPolarHBondContact CD2-O 3.32Å; F432-L886 HydrophobicContact CD2-CD2 4.26Å; F432-L886 HydrophobicContact CE2-CD2 4.06Å; F432-L886 HydrophobicContact CZ-CD2 4.19Å
433E80.5Confident76.9Confident49 Ų4964.8 Ų64.823%0.22935%0.354CS..Hα-helixtrans-61.8-40.7178.4-73-69.2170.800112.8Y436 Q437 R448E433-Y436 PolarHBondContact O-N 3.46Å; E433-Q437 WeakPolarHBondContact O-CG 3.48Å; E433-Q437 PolarHBondContact O-N 2.82Å; E433-Q437 VanDerWaalsContact O-N 3.11Å; E433-R448 IonicContact OE1-CZ 3.49Å; E433-R448 IonicContact OE1-NH1 3.23Å; E433-R448 PolarHBondContact OE1-NH1 3.35Å; E433-R448 IonicContact OE1-NH2 3.94Å; E433-R448 PolarHBondContact OE1-NH2 3.05Å; E433-R448 IonicContact OE2-CZ 2.77Å; E433-R448 IonicContact OE2-NH2 3.48Å; E433-R448 PolarHBondContact OE2-NH2 3.02Å
434Q82.1Confident77.7Confident120 Ų12062.5 Ų62.556%0.56134%0.341SS*.Hα-helixtrans-66.4-43.3-178-169.1178.118.900112.1Q431 F432 Y436 Q437 L438 I882Q431-Q434 PolarHBondContact O-N 3.4Å; F432-Q434 VanDerWaalsContact C-N 3.35Å; F432-Q434 PolarHBondContact O-N 2.98Å; Q434-Y436 VanDerWaalsContact C-N 3.33Å; Q434-Q437 PolarHBondContact O-N 2.89Å; Q434-L438 PolarHBondContact O-N 2.9Å; Q434-I882 HydrophobicContact CG-CD1 4.35Å
435A82.9Confident78.3Confident0 Ų061.6 Ų61.60%035%0.347CS..Hα-helixtrans-63.2-41.2176.100000111.4Q431 F432 Q437 L438 V439 I882 L886Q431-A435 PolarHBondContact O-N 3.32Å; F432-A435 PolarHBondContact O-N 3.08Å; A435-Q437 PolarHBondContact O-N 2.93Å; A435-L438 PolarHBondContact O-N 2.91Å; A435-V439 PolarHBondContact O-N 3.37Å; A435-I882 HydrophobicContact CB-CD1 3.85Å; A435-I882 HydrophobicContact CB-CG1 3.98Å; A435-L886 HydrophobicContact CB-CD1 4.04Å; A435-L886 HydrophobicContact CB-CD2 3.94Å; A435-L886 HydrophobicContact CB-CG 3.74Å
436Y83.8Confident79.1Confident43 Ų4360.9 Ų60.917%0.16934%0.338CS..Hα-helixtrans-62.1-43.6179.5176.5-110.6000112.4F432 E433 Q434 L438 V439 V440 L446 R448 A451F432-Y436 PolarHBondContact O-N 3.32Å; F432-Y436 VanDerWaalsContact O-N 3.16Å; E433-Y436 PolarHBondContact O-N 3.46Å; Q434-Y436 VanDerWaalsContact C-N 3.33Å; Y436-L438 VanDerWaalsContact C-N 3.32Å; Y436-L438 PolarHBondContact O-N 3.36Å; Y436-V439 PolarHBondContact O-N 3.46Å; Y436-V440 HydrophobicContact CE1-CG2 4.28Å; Y436-V440 HydrophobicContact CE2-CG2 4.26Å; Y436-V440 WeakPolarHBondContact O-CG2 3.47Å; Y436-V440 PolarHBondContact O-N 3.31Å; Y436-L446 HydrophobicContact CE2-CD1 4.06Å; Y436-L446 PolarHBondContact OH-O 3.41Å; Y436-R448 HydrophobicContact CD2-CG 4.17Å; Y436-R448 HydrophobicContact CE1-CG 4.23Å; Y436-R448 HydrophobicContact CE2-CB 4.39Å; Y436-R448 HydrophobicContact CE2-CG 3.82Å; Y436-A451 HydrophobicContact CD2-CB 3.68Å; Y436-A451 HydrophobicContact CE2-CB 4.15Å
437Q84.9Confident79.9Confident132 Ų13256.8 Ų56.862%0.61733%0.326SS*.Hα-helixtrans-64.3-33.8178.9-72.1-173.66.800113.5E433 Q434 A435 V440 A441E433-Q437 WeakPolarHBondContact O-CG 3.48Å; E433-Q437 PolarHBondContact O-N 2.82Å; E433-Q437 VanDerWaalsContact O-N 3.11Å; Q434-Q437 PolarHBondContact O-N 2.89Å; A435-Q437 PolarHBondContact O-N 2.93Å; Q437-V440 PolarHBondContact O-N 3.41Å; Q437-A441 PolarHBondContact O-N 3.43Å
438L85.8Confident80.5Confident29 Ų2958 Ų5815%0.15232%0.322CS..Hα-helixtrans-67.3-38.1178.2-78165000112.3Q434 A435 Y436 A441 I442 K878 L879 I882Q434-L438 PolarHBondContact O-N 2.9Å; A435-L438 PolarHBondContact O-N 2.91Å; Y436-L438 VanDerWaalsContact C-N 3.32Å; Y436-L438 PolarHBondContact O-N 3.36Å; L438-A441 PolarHBondContact O-N 2.89Å; L438-I442 WeakPolarHBondContact O-CG1 3.22Å; L438-I442 PolarHBondContact O-N 3.34Å; L438-K878 HydrophobicContact CD1-CB 4.03Å; L438-K878 HydrophobicContact CD2-CB 4.18Å; L438-L879 HydrophobicContact CB-CB 4.33Å; L438-L879 HydrophobicContact CB-CD1 4.02Å; L438-I882 HydrophobicContact CD1-CD1 3.78Å
439V87Confident81.1Confident0 Ų061.9 Ų61.90%034%0.335CS..Hα-helixtrans-65.1-42.3174-1700000110.5A435 Y436 A441 I442 N443 L446 V454 A455 L458 L879 L886A435-V439 PolarHBondContact O-N 3.37Å; Y436-V439 PolarHBondContact O-N 3.46Å; V439-A441 VanDerWaalsContact C-N 3.3Å; V439-A441 PolarHBondContact O-N 3.37Å; V439-I442 PolarHBondContact O-N 2.93Å; V439-N443 PolarHBondContact O-N 2.83Å; V439-L446 HydrophobicContact CB-CD2 4.37Å; V439-L446 HydrophobicContact CG1-CD2 3.62Å; V439-V454 HydrophobicContact CG1-CB 4.05Å; V439-V454 HydrophobicContact CG1-CG1 3.76Å; V439-A455 HydrophobicContact CG1-CB 4.35Å; V439-A455 HydrophobicContact CG2-CB 3.71Å; V439-L458 HydrophobicContact CG1-CD1 4.32Å; V439-L879 HydrophobicContact CG2-CD1 3.58Å; V439-L879 HydrophobicContact CG2-CD2 3.99Å; V439-L879 HydrophobicContact CG2-CG 4.44Å; V439-L886 HydrophobicContact CG2-CD1 4.1Å
440V83.9Confident81.6Confident44 Ų4462.1 Ų62.127%0.26734%0.337SS..Hα-helixtrans-63.8-34.7178.5172.40000112.1Y436 Q437 I442 G444 L446Y436-V440 HydrophobicContact CE1-CG2 4.28Å; Y436-V440 HydrophobicContact CE2-CG2 4.26Å; Y436-V440 WeakPolarHBondContact O-CG2 3.47Å; Y436-V440 PolarHBondContact O-N 3.31Å; Q437-V440 PolarHBondContact O-N 3.41Å; V440-I442 VanDerWaalsContact C-N 3.28Å; V440-I442 PolarHBondContact O-N 2.94Å; V440-G444 WeakPolarHBondContact CA-O 3.38Å; V440-G444 CarbonylContact O-C 3.6Å; V440-G444 WeakPolarHBondContact O-CA 3.47Å; V440-G444 PolarHBondContact O-N 2.87Å; V440-L446 HydrophobicContact CG2-CD2 4.39Å; V440-L446 HydrophobicContact CG2-CG 4.27Å
441A82Confident82.2Confident53 Ų5358.8 Ų58.844%0.43831%0.313SS..Hα-helixtrans-66.1-30177.900000113.2Q437 L438 V439Q437-A441 PolarHBondContact O-N 3.43Å; L438-A441 PolarHBondContact O-N 2.89Å; V439-A441 VanDerWaalsContact C-N 3.3Å; V439-A441 PolarHBondContact O-N 3.37Å
442I83.8Confident82.6Confident20 Ų2056.6 Ų56.610%0.10330%0.301CS..Hα-helixtrans-93.2-45.2-177.2-55.4165.2000111.1L438 V439 V440 L458 F872 Q875 L876 L879L438-I442 WeakPolarHBondContact O-CG1 3.22Å; L438-I442 PolarHBondContact O-N 3.34Å; V439-I442 PolarHBondContact O-N 2.93Å; V440-I442 VanDerWaalsContact C-N 3.28Å; V440-I442 PolarHBondContact O-N 2.94Å; I442-L458 HydrophobicContact CB-CD1 3.67Å; I442-L458 HydrophobicContact CD1-CD1 4.43Å; I442-L458 HydrophobicContact CG2-CB 4.5Å; I442-L458 HydrophobicContact CG2-CD1 3.54Å; I442-L458 HydrophobicContact CG2-CD2 3.69Å; I442-L458 HydrophobicContact CG2-CG 4.11Å; I442-F872 HydrophobicContact CB-CD1 4.4Å; I442-F872 HydrophobicContact CG1-CD1 4.31Å; I442-F872 HydrophobicContact CG2-CB 4.37Å; I442-F872 HydrophobicContact CG2-CD1 4.12Å; I442-F872 HydrophobicContact CG2-CG 4.3Å; I442-Q875 HydrophobicContact CD1-CB 3.76Å; I442-Q875 HydrophobicContact CG1-CB 3.72Å; I442-L876 HydrophobicContact CD1-CD2 3.85Å; I442-L876 HydrophobicContact CD1-CG 4.04Å; I442-L879 HydrophobicContact CD1-CD2 4.18Å
443N82.5Confident82.9Confident86 Ų8660.4 Ų60.446%0.4632%0.322SS..Hα-helixtrans-95.4-23.3-175.5-164.249.9000114.5V439 L446 V454 L458V439-N443 PolarHBondContact O-N 2.83Å; N443-L446 HydrophobicContact CB-CD2 4.13Å; N443-V454 HydrophobicContact CB-CG1 3.68Å; N443-V454 VanDerWaalsContact CG-CG1 3.46Å; N443-V454 VanDerWaalsContact ND2-CG1 3.27Å; N443-V454 WeakPolarHBondContact ND2-CG1 3.31Å; N443-L458 HydrophobicContact CB-CD1 3.99Å
444G81.1Confident83.2Confident22 Ų2259.2 Ų59.223%0.22732%0.318CS..  trans93.1-179-164.100000113.6V440 L446V440-G444 WeakPolarHBondContact CA-O 3.38Å; V440-G444 CarbonylContact O-C 3.6Å; V440-G444 WeakPolarHBondContact O-CA 3.47Å; V440-G444 PolarHBondContact O-N 2.87Å; G444-L446 WeakPolarHBondContact O-CD2 3.27Å
445P76.7Confident83.3Confident129 Ų12953.5 Ų53.584%0.83829%0.291SS*.SBendtrans-65.4132.9-171.924.5-32.5000113.3
446L83.5Confident83.6Confident21 Ų2159.5 Ų59.511%0.1131%0.314CS..  trans-149.8160.4-175.759.4102.1000112.1Y436 V439 V440 N443 G444 A451 V454Y436-L446 HydrophobicContact CE2-CD1 4.06Å; Y436-L446 PolarHBondContact OH-O 3.41Å; V439-L446 HydrophobicContact CB-CD2 4.37Å; V439-L446 HydrophobicContact CG1-CD2 3.62Å; V440-L446 HydrophobicContact CG2-CD2 4.39Å; V440-L446 HydrophobicContact CG2-CG 4.27Å; N443-L446 HydrophobicContact CB-CD2 4.13Å; G444-L446 WeakPolarHBondContact O-CD2 3.27Å; L446-A451 HydrophobicContact CD1-CB 3.55Å; L446-V454 HydrophobicContact CD2-CB 4.45Å; L446-V454 HydrophobicContact CD2-CG1 4.12Å
447A81.1Confident83.7Confident41 Ų4164 Ų6434%0.33934%0.336SS..  trans-73.9144.2-176.200000112.3N449 E450 A451A447-N449 WeakPolarHBondContact CB-OD1 3.45Å; A447-N449 PolarHBondContact O-N 3.47Å; A447-N449 VanDerWaalsContact O-N 3.08Å; A447-E450 HydrophobicContact CB-CG 4.18Å; A447-E450 PolarHBondContact O-N 2.86Å; A447-A451 PolarHBondContact O-N 2.74Å
448R78.9Confident83.8Confident106 Ų10658.2 Ų58.240%0.431%0.31SS..THydrogen-bonded Turntrans-55.7-31-175.2-77.5-173.7176.9-155.5-4.7113.9E433 Y436E433-R448 IonicContact OE1-CZ 3.49Å; E433-R448 IonicContact OE1-NH1 3.23Å; E433-R448 PolarHBondContact OE1-NH1 3.35Å; E433-R448 IonicContact OE1-NH2 3.94Å; E433-R448 PolarHBondContact OE1-NH2 3.05Å; E433-R448 IonicContact OE2-CZ 2.77Å; E433-R448 IonicContact OE2-NH2 3.48Å; E433-R448 PolarHBondContact OE2-NH2 3.02Å; Y436-R448 HydrophobicContact CD2-CG 4.17Å; Y436-R448 HydrophobicContact CE1-CG 4.23Å; Y436-R448 HydrophobicContact CE2-CB 4.39Å; Y436-R448 HydrophobicContact CE2-CG 3.82Å
449N79.3Confident83.8Confident130 Ų13058.8 Ų58.870%0.69531%0.313SS*.THydrogen-bonded Turntrans-77.2-19.1176.761.3-38000114.2A447A447-N449 WeakPolarHBondContact CB-OD1 3.45Å; A447-N449 PolarHBondContact O-N 3.47Å; A447-N449 VanDerWaalsContact O-N 3.08Å
450E82.9Confident83.7Confident100 Ų10067.9 Ų67.947%0.46735%0.347SS..THydrogen-bonded Turntrans-92.9-17.8179.5-64.7173.2168.300112.6A447 W452 D453 V454A447-E450 HydrophobicContact CB-CG 4.18Å; A447-E450 PolarHBondContact O-N 2.86Å; E450-W452 PolarHBondContact O-N 3.38Å; E450-D453 PolarHBondContact O-N 3.27Å; E450-V454 PolarHBondContact O-N 2.94Å
451A83.9Confident83.7Confident0 Ų070.9 Ų70.90%036%0.358CS..Hα-helixtrans-54.3-33.9-171.700000114.3Y436 L446 A447 A455 L886Y436-A451 HydrophobicContact CD2-CB 3.68Å; Y436-A451 HydrophobicContact CE2-CB 4.15Å; L446-A451 HydrophobicContact CD1-CB 3.55Å; A447-A451 PolarHBondContact O-N 2.74Å; A451-A455 VanDerWaalsContact O-CB 3.25Å; A451-A455 WeakPolarHBondContact O-CB 3.45Å; A451-A455 PolarHBondContact O-N 3.26Å; A451-L886 HydrophobicContact CB-CD1 4.08Å; A451-L886 HydrophobicContact CB-CD2 4.31Å
452W86.9Confident83.8Confident53 Ų5368.6 Ų68.620%0.20134%0.34CS..Hα-helixtrans-67.7-38.8178.7172-112.3000113.7E450 R456 V883 L886 Q887E450-W452 PolarHBondContact O-N 3.38Å; W452-R456 VanDerWaalsContact CD1-NH2 3.33Å; W452-V883 HydrophobicContact CE3-CG2 3.91Å; W452-V883 HydrophobicContact CH2-CG1 4.21Å; W452-V883 HydrophobicContact CZ3-CB 3.98Å; W452-V883 HydrophobicContact CZ3-CG1 3.67Å; W452-V883 HydrophobicContact CZ3-CG2 3.69Å; W452-V883 WeakPolarHBondContact CZ3-O 3.42Å; W452-L886 HydrophobicContact CB-CB 4.28Å; W452-L886 HydrophobicContact CE3-CB 4.43Å; W452-Q887 HydrophobicContact CD2-CG 4.29Å; W452-Q887 HydrophobicContact CE3-CG 4.46Å; W452-Q887 VanDerWaalsContact CZ2-NE2 3.27Å
453D86.9Confident83.7Confident90 Ų9071.1 Ų71.148%0.48136%0.356SS..Hα-helixtrans-77.4-43.6-176.5-69.9-31.9000111E450 A455 R456 E457E450-D453 PolarHBondContact O-N 3.27Å; D453-A455 VanDerWaalsContact C-N 3.33Å; D453-A455 PolarHBondContact O-N 3Å; D453-R456 PolarHBondContact O-N 3.06Å; D453-R456 VanDerWaalsContact O-N 3.14Å; D453-R456 IonicContact OD1-CZ 2.9Å; D453-R456 IonicContact OD1-NH2 2.68Å; D453-R456 PolarHBondContact OD1-NH2 3.06Å; D453-E457 PolarHBondContact O-N 3.23Å
454V87Confident83.8Confident25 Ų2571.6 Ų71.615%0.15236%0.358CS..Hα-helixtrans-60.3-42.2175.9176.20000111.6V439 N443 L446 E450 R456 E457 L458V439-V454 HydrophobicContact CG1-CB 4.05Å; V439-V454 HydrophobicContact CG1-CG1 3.76Å; N443-V454 HydrophobicContact CB-CG1 3.68Å; N443-V454 VanDerWaalsContact CG-CG1 3.46Å; N443-V454 VanDerWaalsContact ND2-CG1 3.27Å; N443-V454 WeakPolarHBondContact ND2-CG1 3.31Å; L446-V454 HydrophobicContact CD2-CB 4.45Å; L446-V454 HydrophobicContact CD2-CG1 4.12Å; E450-V454 PolarHBondContact O-N 2.94Å; V454-R456 PolarHBondContact O-N 3.44Å; V454-E457 PolarHBondContact O-N 2.89Å; V454-L458 HydrophobicContact CG1-CD1 4.15Å; V454-L458 HydrophobicContact CG1-CG 4.34Å; V454-L458 WeakPolarHBondContact O-CG 3.48Å; V454-L458 PolarHBondContact O-N 3.48Å; V454-L458 VanDerWaalsContact O-N 3.1Å
455A85.3Confident84Confident0 Ų073.4 Ų73.40%036%0.361CS..Hα-helixtrans-56.8-35.8177.800000112.8V439 A451 D453 L459 L879 V883V439-A455 HydrophobicContact CG1-CB 4.35Å; V439-A455 HydrophobicContact CG2-CB 3.71Å; A451-A455 VanDerWaalsContact O-CB 3.25Å; A451-A455 WeakPolarHBondContact O-CB 3.45Å; A451-A455 PolarHBondContact O-N 3.26Å; D453-A455 VanDerWaalsContact C-N 3.33Å; D453-A455 PolarHBondContact O-N 3Å; A455-L459 WeakPolarHBondContact O-CG 3.43Å; A455-L459 PolarHBondContact O-N 3.19Å; A455-L879 HydrophobicContact CB-CD1 4.45Å; A455-L879 HydrophobicContact CB-CD2 3.93Å; A455-L879 HydrophobicContact CB-CG 4.45Å; A455-V883 HydrophobicContact CB-CG2 3.49Å; A455-V883 VanDerWaalsContact CB-CG2 3.49Å
456R88.8Confident84.3Confident126 Ų12672.4 Ų72.448%0.47534%0.34SS..Hα-helixtrans-72.3-38.4179.3-77-170.7-81.3171.90.5112.7W452 D453 V454 R460W452-R456 VanDerWaalsContact CD1-NH2 3.33Å; D453-R456 PolarHBondContact O-N 3.06Å; D453-R456 VanDerWaalsContact O-N 3.14Å; D453-R456 IonicContact OD1-CZ 2.9Å; D453-R456 IonicContact OD1-NH2 2.68Å; D453-R456 PolarHBondContact OD1-NH2 3.06Å; V454-R456 PolarHBondContact O-N 3.44Å; R456-R460 PolarHBondContact O-N 2.82Å
457E86.1Confident84.3Confident136 Ų13676.8 Ų76.864%0.63636%0.36SS*.Hα-helixtrans-64.8-46.9176.6-70.3-173.2159.800111.1D453 V454 L459 R460 E461D453-E457 PolarHBondContact O-N 3.23Å; V454-E457 PolarHBondContact O-N 2.89Å; E457-L459 VanDerWaalsContact C-N 3.32Å; E457-L459 PolarHBondContact O-N 3.45Å; E457-R460 WeakPolarHBondContact O-CB 3.36Å; E457-R460 PolarHBondContact O-N 3.47Å; E457-E461 PolarHBondContact O-N 3.42Å
458L85.9Confident84.4Confident12 Ų1278.1 Ų78.16%0.06336%0.361CS..Hα-helixtrans-58.1-41.3177.8-72177.7000113.2V439 I442 N443 V454 R460 G462 L876V439-L458 HydrophobicContact CG1-CD1 4.32Å; I442-L458 HydrophobicContact CB-CD1 3.67Å; I442-L458 HydrophobicContact CD1-CD1 4.43Å; I442-L458 HydrophobicContact CG2-CB 4.5Å; I442-L458 HydrophobicContact CG2-CD1 3.54Å; I442-L458 HydrophobicContact CG2-CD2 3.69Å; I442-L458 HydrophobicContact CG2-CG 4.11Å; N443-L458 HydrophobicContact CB-CD1 3.99Å; V454-L458 HydrophobicContact CG1-CD1 4.15Å; V454-L458 HydrophobicContact CG1-CG 4.34Å; V454-L458 WeakPolarHBondContact O-CG 3.48Å; V454-L458 PolarHBondContact O-N 3.48Å; V454-L458 VanDerWaalsContact O-N 3.1Å; L458-R460 VanDerWaalsContact C-N 3.28Å; L458-R460 PolarHBondContact O-N 2.92Å; L458-G462 PolarHBondContact O-N 2.93Å; L458-L876 HydrophobicContact CB-CD2 3.93Å; L458-L876 WeakPolarHBondContact O-CD2 3.43Å
459L86Confident84.7Confident41 Ų4174.2 Ų74.222%0.21535%0.351CS..Hα-helixtrans-65-33176.5-73.7170.8000112.1A455 E457 L876 E880A455-L459 WeakPolarHBondContact O-CG 3.43Å; A455-L459 PolarHBondContact O-N 3.19Å; E457-L459 VanDerWaalsContact C-N 3.32Å; E457-L459 PolarHBondContact O-N 3.45Å; L459-L876 HydrophobicContact CD2-CB 4.31Å; L459-L876 HydrophobicContact CD2-CD2 4.12Å; L459-E880 HydrophobicContact CD2-CB 4.08Å; L459-E880 HydrophobicContact CD2-CG 4.45Å
460R86Confident85Confident191 Ų19174.8 Ų74.872%0.72135%0.35SS*.Hα-helixtrans-72.5-49.3177.4-171.9179.1-179.6179.3-0.7111.8R456 E457 L458 G462 V463R456-R460 PolarHBondContact O-N 2.82Å; E457-R460 WeakPolarHBondContact O-CB 3.36Å; E457-R460 PolarHBondContact O-N 3.47Å; L458-R460 VanDerWaalsContact C-N 3.28Å; L458-R460 PolarHBondContact O-N 2.92Å; R460-G462 PolarHBondContact O-N 3.44Å; R460-V463 PolarHBondContact O-N 2.88Å; R460-V463 VanDerWaalsContact O-N 3.1Å
461E83.4Confident85.2Confident107 Ų10774.8 Ų74.850%0.535%0.35SS..Hα-helixtrans-59.4-36.5176.8-69.9-173.9163.400111.8E457 V463 D464 Q465E457-E461 PolarHBondContact O-N 3.42Å; E461-V463 PolarHBondContact O-N 3.35Å; E461-D464 PolarHBondContact O-N 3.4Å; E461-Q465 VanDerWaalsContact O-CG 3.29Å; E461-Q465 WeakPolarHBondContact O-CG 3.19Å; E461-Q465 PolarHBondContact O-N 3.49Å
462G83Confident85.2Confident5 Ų575.5 Ų75.55%0.05235%0.354CS..Hα-helixtrans-58.5-28.7175.900000114.6L458 R460 R466L458-G462 PolarHBondContact O-N 2.93Å; R460-G462 PolarHBondContact O-N 3.44Å; G462-R466 WeakPolarHBondContact O-CG 3.4Å; G462-R466 PolarHBondContact O-N 2.95Å
463V83.4Confident85.1Confident73 Ų7378.9 Ų78.944%0.44237%0.372SS..Hα-helixtrans-75.5-44.7176.5178.70000111R460 E461 Q465 R466 H467R460-V463 PolarHBondContact O-N 2.88Å; R460-V463 VanDerWaalsContact O-N 3.1Å; E461-V463 PolarHBondContact O-N 3.35Å; V463-Q465 VanDerWaalsContact C-N 3.33Å; V463-Q465 PolarHBondContact O-N 3.43Å; V463-R466 PolarHBondContact O-N 3.14Å; V463-H467 PolarHBondContact O-N 3.12Å
464D83.8Confident84.9Confident96 Ų9678.7 Ų78.751%0.51338%0.376SS..Hα-helixtrans-63.2-41.2-180-67.3-26.6000111.2E461 R466 H467 L468E461-D464 PolarHBondContact O-N 3.4Å; D464-R466 VanDerWaalsContact C-N 3.32Å; D464-R466 PolarHBondContact O-N 2.62Å; D464-H467 PolarHBondContact O-N 2.74Å; D464-L468 PolarHBondContact O-N 2.88Å
465Q84.7Confident84.9Confident60 Ų6078.4 Ų78.428%0.2837%0.374SS..Hα-helixtrans-64.4-33.7177.1-64.6-67.1-9.500112.7E461 V463 A469 A865 F868 V869E461-Q465 VanDerWaalsContact O-CG 3.29Å; E461-Q465 WeakPolarHBondContact O-CG 3.19Å; E461-Q465 PolarHBondContact O-N 3.49Å; V463-Q465 VanDerWaalsContact C-N 3.33Å; V463-Q465 PolarHBondContact O-N 3.43Å; Q465-A469 WeakPolarHBondContact O-CB 3.43Å; Q465-A469 PolarHBondContact O-N 3.33Å; Q465-A469 VanDerWaalsContact O-N 3.11Å; Q465-A865 WeakPolarHBondContact O-CB 3.47Å; Q465-F868 HydrophobicContact CB-CD1 3.72Å; Q465-F868 HydrophobicContact CB-CE1 4.3Å; Q465-F868 HydrophobicContact CB-CG 4.5Å; Q465-F868 HydrophobicContact CG-CD1 3.6Å; Q465-F868 HydrophobicContact CG-CE1 3.98Å; Q465-F868 HydrophobicContact CG-CG 4.18Å; Q465-V869 HydrophobicContact CB-CG2 4.04Å
466R83.4Confident85Confident108 Ų10883.7 Ų83.741%0.40839%0.393SS..Hα-helixtrans-64.8-40.8174.5-76.1174.8-175.7168.93.8112.2G462 V463 D464 A469 E470 V869G462-R466 WeakPolarHBondContact O-CG 3.4Å; G462-R466 PolarHBondContact O-N 2.95Å; V463-R466 PolarHBondContact O-N 3.14Å; D464-R466 VanDerWaalsContact C-N 3.32Å; D464-R466 PolarHBondContact O-N 2.62Å; R466-A469 PolarHBondContact O-N 2.86Å; R466-E470 PolarHBondContact O-N 2.92Å; R466-V869 HydrophobicContact CB-CG2 4.39Å; R466-V869 HydrophobicContact CG-CB 4.5Å; R466-V869 HydrophobicContact CG-CG1 3.93Å; R466-V869 HydrophobicContact CG-CG2 3.66Å
467H83.7Confident84.5Confident113 Ų11383.3 Ų83.352%0.52340%0.399SS..Hα-helixtrans-67.5-36.8179.1-79-52.6000113.5V463 D464 E470V463-H467 PolarHBondContact O-N 3.12Å; D464-H467 PolarHBondContact O-N 2.74Å; H467-E470 IonicContact ND1-OE2 2.89Å
468L84.5Confident84.4Confident68 Ų6884.4 Ų84.436%0.35640%0.397SS..Hα-helixtrans-67.7-40.3174.2-72.8172.5000111.6D464 E470 Q471 A862 A865D464-L468 PolarHBondContact O-N 2.88Å; L468-E470 PolarHBondContact O-N 2.88Å; L468-Q471 PolarHBondContact O-N 3.47Å; L468-Q471 VanDerWaalsContact O-N 3.12Å; L468-A862 WeakPolarHBondContact O-CB 3.48Å; L468-A865 HydrophobicContact CB-CB 3.51Å; L468-A865 HydrophobicContact CD1-CB 4.4Å
469A83.7Confident84.4Confident24 Ų2484.7 Ų84.720%0.19840%0.399CS..Hα-helixtrans-60-30.7178.900000113.8Q465 R466 Q471 V472 A865 A866Q465-A469 WeakPolarHBondContact O-CB 3.43Å; Q465-A469 PolarHBondContact O-N 3.33Å; Q465-A469 VanDerWaalsContact O-N 3.11Å; R466-A469 PolarHBondContact O-N 2.86Å; A469-Q471 PolarHBondContact O-N 2.89Å; A469-V472 WeakPolarHBondContact O-CG2 3.43Å; A469-A865 HydrophobicContact CB-CB 4.5Å; A469-A866 HydrophobicContact CB-CB 3.77Å
470E85.7Confident84.1Confident142 Ų14285.5 Ų85.566%0.66441%0.408SS*.THydrogen-bonded Turntrans-67-21.2178.3-72.3175.2171.100113.3R466 H467 L468 V472R466-E470 PolarHBondContact O-N 2.92Å; H467-E470 IonicContact ND1-OE2 2.89Å; L468-E470 PolarHBondContact O-N 2.88Å; E470-V472 VanDerWaalsContact C-N 3.35Å; E470-V472 PolarHBondContact O-N 3.26Å
471Q87.5Confident83.9Confident100 Ų10082 Ų8247%0.46740%0.399SS..THydrogen-bonded Turntrans-82.1-8-176.1-58.8-173.822.800114.3L468 A469 Q473 P474 L475 A862L468-Q471 PolarHBondContact O-N 3.47Å; L468-Q471 VanDerWaalsContact O-N 3.12Å; A469-Q471 PolarHBondContact O-N 2.89Å; Q471-Q473 PolarHBondContact O-N 2.82Å; Q471-P474 WeakPolarHBondContact O-CD 3.45Å; Q471-L475 HydrophobicContact CB-CD1 4.17Å; Q471-L475 WeakPolarHBondContact O-CG 3.46Å; Q471-L475 PolarHBondContact O-N 3.49Å; Q471-A862 HydrophobicContact CB-CB 4.48Å
472V84.8Confident84Confident15 Ų1577.9 Ų77.99%0.09138%0.381CS..Hα-helixtrans-58.1-44.8-174.6173.80000112.5A469 E470 R476 L859 A862 Q863A469-V472 WeakPolarHBondContact O-CG2 3.43Å; E470-V472 VanDerWaalsContact C-N 3.35Å; E470-V472 PolarHBondContact O-N 3.26Å; V472-R476 WeakPolarHBondContact O-CG 3.48Å; V472-R476 PolarHBondContact O-N 3.3Å; V472-R476 VanDerWaalsContact O-N 3.16Å; V472-L859 HydrophobicContact CG1-CD1 4.01Å; V472-L859 WeakPolarHBondContact O-CD1 3.48Å; V472-A862 HydrophobicContact CG2-CB 3.64Å; V472-A862 WeakPolarHBondContact CG2-O 3.28Å; V472-Q863 HydrophobicContact CG1-CG 4.1Å; V472-Q863 HydrophobicContact CG2-CG 4.16Å
473Q83.5Confident84.2Confident125 Ų12579.6 Ų79.658%0.58439%0.387SS*.Hα-helixtrans-70.4-48.2-175.6-65.8-65.9-8.700113.3Q471 L475 R476 M477Q471-Q473 PolarHBondContact O-N 2.82Å; Q473-L475 VanDerWaalsContact C-N 3.31Å; Q473-L475 PolarHBondContact O-N 2.87Å; Q473-R476 PolarHBondContact O-N 3.08Å; Q473-M477 PolarHBondContact O-N 3.36Å
474P82.3Confident84.2Confident86 Ų8681.8 Ų81.856%0.55839%0.393SS*.Hα-helixtrans-55.6-41.2173.3-26.632.8000114.1Q471 R478Q471-P474 WeakPolarHBondContact O-CD 3.45Å; P474-R478 PolarHBondContact O-N 3.43Å
475L86.9Confident84.2Confident19 Ų1983.8 Ų83.810%0.09939%0.393CS..Hα-helixtrans-67.6-39-179.4-71.5170.3000112.2Q471 Q473 M477 R478 L479 I855 R858 L859 A862Q471-L475 HydrophobicContact CB-CD1 4.17Å; Q471-L475 WeakPolarHBondContact O-CG 3.46Å; Q471-L475 PolarHBondContact O-N 3.49Å; Q473-L475 VanDerWaalsContact C-N 3.31Å; Q473-L475 PolarHBondContact O-N 2.87Å; L475-M477 PolarHBondContact O-N 3.5Å; L475-R478 PolarHBondContact O-N 3.33Å; L475-L479 WeakPolarHBondContact O-CB 3.32Å; L475-L479 PolarHBondContact O-N 3.41Å; L475-I855 HydrophobicContact CD2-CD1 4.24Å; L475-I855 HydrophobicContact CD2-CG2 4.38Å; L475-R858 HydrophobicContact CD1-CB 4.03Å; L475-R858 HydrophobicContact CD2-CB 4.26Å; L475-L859 HydrophobicContact CB-CB 4.21Å; L475-L859 HydrophobicContact CB-CD1 3.94Å; L475-A862 HydrophobicContact CD1-CB 4.24Å
476R87.3Confident84.2Confident110 Ų11082.5 Ų82.542%0.41539%0.388SS..Hα-helixtrans-60.2-44.8176-78.5-179.9177.5-178.10.3113.1V472 Q473 L479 S480 L859V472-R476 WeakPolarHBondContact O-CG 3.48Å; V472-R476 PolarHBondContact O-N 3.3Å; V472-R476 VanDerWaalsContact O-N 3.16Å; Q473-R476 PolarHBondContact O-N 3.08Å; R476-L479 PolarHBondContact O-N 3.4Å; R476-S480 PolarHBondContact O-N 3.02Å; R476-L859 HydrophobicContact CG-CD1 3.69Å; R476-L859 HydrophobicContact CG-CD2 3.77Å; R476-L859 HydrophobicContact CG-CG 4.41Å
477M79.2Confident84.2Confident119 Ų11984.7 Ų84.759%0.58640%0.396SS*.Hα-helixtrans-62.2-46.4179.2-69.6-61.5-5800111Q473 L475 L479 S480 E481Q473-M477 PolarHBondContact O-N 3.36Å; L475-M477 PolarHBondContact O-N 3.5Å; M477-L479 PolarHBondContact O-N 3.19Å; M477-S480 PolarHBondContact O-N 2.98Å; M477-S480 PolarHBondContact O-OG 3.4Å; M477-E481 PolarHBondContact O-N 2.96Å
478R83.3Confident84.2Confident158 Ų15882.8 Ų82.860%0.59639%0.388SS*.Hα-helixtrans-65.8-37.2179.8-166.9163.4-176162.3-1.6112.9P474 L475 S480 E481 L482P474-R478 PolarHBondContact O-N 3.43Å; L475-R478 PolarHBondContact O-N 3.33Å; R478-S480 VanDerWaalsContact C-N 3.34Å; R478-E481 PolarHBondContact O-N 3.43Å; R478-L482 WeakPolarHBondContact O-CG 3.45Å; R478-L482 PolarHBondContact O-N 2.95Å; R478-L482 VanDerWaalsContact O-N 3.17Å
479L86.6Confident84.4Confident19 Ų1980.2 Ų80.210%0.09937%0.374CS..Hα-helixtrans-60.2-45.7173-177.558.9000111.1L475 R476 M477 E481 L482 E483 V852 I855 R856 L859L475-L479 WeakPolarHBondContact O-CB 3.32Å; L475-L479 PolarHBondContact O-N 3.41Å; R476-L479 PolarHBondContact O-N 3.4Å; M477-L479 PolarHBondContact O-N 3.19Å; L479-E481 VanDerWaalsContact C-N 3.33Å; L479-E481 PolarHBondContact O-N 3.44Å; L479-L482 PolarHBondContact O-N 2.74Å; L479-E483 HydrophobicContact CD1-CG 4.08Å; L479-E483 HydrophobicContact CG-CG 4.27Å; L479-E483 WeakPolarHBondContact O-CB 3.48Å; L479-E483 WeakPolarHBondContact O-CG 3.39Å; L479-E483 PolarHBondContact O-N 3.35Å; L479-V852 HydrophobicContact CD1-CG1 3.86Å; L479-I855 HydrophobicContact CB-CG2 3.82Å; L479-I855 HydrophobicContact CD1-CG2 4.3Å; L479-R856 HydrophobicContact CD1-CG 3.57Å; L479-R856 HydrophobicContact CD2-CG 3.74Å; L479-R856 HydrophobicContact CG-CG 4.32Å; L479-L859 HydrophobicContact CD2-CD2 3.95Å
480S80.6Confident84.5Confident58 Ų5883.8 Ų83.841%0.40639%0.386SS..Hα-helixtrans-61.5-39.8-179.175.40000112.9R476 M477 R478 Q484R476-S480 PolarHBondContact O-N 3.02Å; M477-S480 PolarHBondContact O-N 2.98Å; M477-S480 PolarHBondContact O-OG 3.4Å; R478-S480 VanDerWaalsContact C-N 3.34Å; S480-Q484 WeakPolarHBondContact O-CB 3.43Å; S480-Q484 PolarHBondContact O-N 3.4Å
481E81.8Confident84.4Confident116 Ų11682 Ų8254%0.54238%0.378SS..Hα-helixtrans-65.8-42.5176.5-70.8179.1176.900112.1M477 R478 L479 Q484 R485M477-E481 PolarHBondContact O-N 2.96Å; R478-E481 PolarHBondContact O-N 3.43Å; L479-E481 VanDerWaalsContact C-N 3.33Å; L479-E481 PolarHBondContact O-N 3.44Å; E481-Q484 PolarHBondContact O-N 3.22Å; E481-R485 PolarHBondContact O-N 3.49Å
482L85.3Confident84.2Confident21 Ų2177.2 Ų77.211%0.1136%0.356CS..Hα-helixtrans-70.3-40.2178.2-69.2175.3000111.9R478 L479 Q484 R485 L486 L848 R851 V852 I855R478-L482 WeakPolarHBondContact O-CG 3.45Å; R478-L482 PolarHBondContact O-N 2.95Å; R478-L482 VanDerWaalsContact O-N 3.17Å; L479-L482 PolarHBondContact O-N 2.74Å; L482-Q484 VanDerWaalsContact C-N 3.3Å; L482-Q484 PolarHBondContact O-N 3.02Å; L482-R485 PolarHBondContact O-N 3.41Å; L482-L486 WeakPolarHBondContact O-CB 3.31Å; L482-L486 PolarHBondContact O-N 3.08Å; L482-L848 WeakPolarHBondContact O-CD2 3.34Å; L482-R851 HydrophobicContact CD1-CB 4.21Å; L482-V852 HydrophobicContact CB-CG2 3.59Å; L482-I855 HydrophobicContact CD1-CG1 4.06Å
483E85.8Confident84.2Confident42 Ų4281 Ų8120%0.19637%0.373CS..Hα-helixtrans-62.9-36.6174.7-75.8-174173.400112.3L479 L486 R487 V852 R856L479-E483 HydrophobicContact CD1-CG 4.08Å; L479-E483 HydrophobicContact CG-CG 4.27Å; L479-E483 WeakPolarHBondContact O-CB 3.48Å; L479-E483 WeakPolarHBondContact O-CG 3.39Å; L479-E483 PolarHBondContact O-N 3.35Å; E483-L486 PolarHBondContact O-N 2.87Å; E483-R487 WeakPolarHBondContact O-CG 3.39Å; E483-R487 PolarHBondContact O-N 3.42Å; E483-R487 IonicContact OE2-NH2 3.26Å; E483-V852 HydrophobicContact CG-CG1 4.14Å; E483-R856 IonicContact OE1-CZ 3.34Å; E483-R856 IonicContact OE1-NE 3.78Å; E483-R856 PolarHBondContact OE1-NE 2.91Å; E483-R856 IonicContact OE1-NH2 3.87Å; E483-R856 PolarHBondContact OE1-NH2 3.4Å
484Q83.4Confident84.3Confident118 Ų11884.1 Ų84.155%0.55138%0.379SS*.Hα-helixtrans-63.2-46.4174.4-175176.2-4.200111.1S480 E481 L482 L486 R487 E488S480-Q484 WeakPolarHBondContact O-CB 3.43Å; S480-Q484 PolarHBondContact O-N 3.4Å; E481-Q484 PolarHBondContact O-N 3.22Å; L482-Q484 VanDerWaalsContact C-N 3.3Å; L482-Q484 PolarHBondContact O-N 3.02Å; Q484-L486 VanDerWaalsContact C-N 3.33Å; Q484-L486 PolarHBondContact O-N 2.92Å; Q484-R487 PolarHBondContact O-N 3.46Å; Q484-E488 WeakPolarHBondContact O-CG 3.42Å; Q484-E488 PolarHBondContact O-N 2.86Å
485R84.9Confident84.4Confident138 Ų13882.6 Ų82.652%0.52137%0.366SS..Hα-helixtrans-63.5-37.3175.7-72.2-174.4-179.6177.12.7112.9E481 L482 R487 E488 Q489 L842 L848E481-R485 PolarHBondContact O-N 3.49Å; L482-R485 PolarHBondContact O-N 3.41Å; R485-R487 VanDerWaalsContact C-N 3.33Å; R485-R487 PolarHBondContact O-N 3.03Å; R485-E488 PolarHBondContact O-N 2.9Å; R485-Q489 PolarHBondContact O-N 3.44Å; R485-L842 HydrophobicContact CB-CD2 4.34Å; R485-L848 HydrophobicContact CB-CD1 4.1Å; R485-L848 HydrophobicContact CB-CD2 4.03Å
486L84.7Confident84.4Confident34 Ų3483.2 Ų83.218%0.17837%0.369CS..Hα-helixtrans-63.6-39.5176.1-172.566.4000111.5L482 E483 Q484 Q489 Q490 L848 A849 V852L482-L486 WeakPolarHBondContact O-CB 3.31Å; L482-L486 PolarHBondContact O-N 3.08Å; E483-L486 PolarHBondContact O-N 2.87Å; Q484-L486 VanDerWaalsContact C-N 3.33Å; Q484-L486 PolarHBondContact O-N 2.92Å; L486-Q489 PolarHBondContact O-N 3.28Å; L486-Q490 WeakPolarHBondContact O-CG 3.34Å; L486-Q490 PolarHBondContact O-N 3.02Å; L486-L848 HydrophobicContact CB-CD2 3.77Å; L486-L848 HydrophobicContact CD1-CD2 4.15Å; L486-A849 HydrophobicContact CD1-CB 4.36Å; L486-V852 HydrophobicContact CD2-CG2 4.33Å
487R82.9Confident84.3Confident154 Ų15480.3 Ų80.358%0.58137%0.368SS*.Hα-helixtrans-64.6-42.1173.2-68.8175.7-149.91797.9111.6E483 Q484 R485 Q489 Q490 E491E483-R487 WeakPolarHBondContact O-CG 3.39Å; E483-R487 PolarHBondContact O-N 3.42Å; E483-R487 IonicContact OE2-NH2 3.26Å; Q484-R487 PolarHBondContact O-N 3.46Å; R485-R487 VanDerWaalsContact C-N 3.33Å; R485-R487 PolarHBondContact O-N 3.03Å; R487-Q489 VanDerWaalsContact C-N 3.32Å; R487-Q489 PolarHBondContact O-N 2.71Å; R487-Q490 PolarHBondContact O-N 3.41Å; R487-E491 WeakPolarHBondContact O-CG 3.37Å; R487-E491 PolarHBondContact O-N 3.3Å
488E83.8Confident84.5Confident73 Ų7378.2 Ų78.234%0.34136%0.359SS..Hα-helixtrans-63.1-36.8176.1-70.6176-175.800112.4Q484 R485 A492 L842Q484-E488 WeakPolarHBondContact O-CG 3.42Å; Q484-E488 PolarHBondContact O-N 2.86Å; R485-E488 PolarHBondContact O-N 2.9Å; E488-A492 WeakPolarHBondContact O-CB 3.41Å; E488-A492 PolarHBondContact O-N 3.35Å; E488-L842 HydrophobicContact CB-CD1 3.84Å
489Q88Confident84.6Confident13 Ų1370.9 Ų70.96%0.06133%0.332CS..Hα-helixtrans-64.2-48.7172.4-175.9177.718.700111.1R485 L486 R487 E491 A492 E493 L842 D845R485-Q489 PolarHBondContact O-N 3.44Å; L486-Q489 PolarHBondContact O-N 3.28Å; R487-Q489 VanDerWaalsContact C-N 3.32Å; R487-Q489 PolarHBondContact O-N 2.71Å; Q489-E491 VanDerWaalsContact C-N 3.32Å; Q489-E491 PolarHBondContact O-N 3.01Å; Q489-A492 CarbonylContact O-C 3.21Å; Q489-A492 WeakPolarHBondContact O-CA 3.25Å; Q489-A492 WeakPolarHBondContact O-CB 3.4Å; Q489-A492 PolarHBondContact O-N 3.46Å; Q489-E493 WeakPolarHBondContact O-CG 3.2Å; Q489-E493 PolarHBondContact O-N 2.85Å; Q489-L842 HydrophobicContact CB-CB 4.41Å; Q489-L842 WeakPolarHBondContact CG-O 3.37Å; Q489-L842 PolarHBondContact NE2-O 2.92Å; Q489-D845 PolarHBondContact NE2-O 3.01Å
490Q85.5Confident84.6Confident99 Ų9970.4 Ų70.446%0.46333%0.33SS..Hα-helixtrans-61.9-37.4177.1-71.8174.52.800112.8L486 R487 E493 R494L486-Q490 WeakPolarHBondContact O-CG 3.34Å; L486-Q490 PolarHBondContact O-N 3.02Å; R487-Q490 PolarHBondContact O-N 3.41Å; Q490-E493 PolarHBondContact O-N 3.15Å; Q490-R494 WeakPolarHBondContact O-CG 3.32Å; Q490-R494 PolarHBondContact O-N 3.17Å
491E84Confident84.6Confident105 Ų10575.7 Ų75.749%0.49135%0.346SS..Hα-helixtrans-64.7-42.9171.4-77.1-173.7-178.600111.8R487 Q489 E493 R494 L495 R839R487-E491 WeakPolarHBondContact O-CG 3.37Å; R487-E491 PolarHBondContact O-N 3.3Å; Q489-E491 VanDerWaalsContact C-N 3.32Å; Q489-E491 PolarHBondContact O-N 3.01Å; E491-E493 VanDerWaalsContact C-N 3.33Å; E491-R494 PolarHBondContact O-N 3.2Å; E491-L495 VanDerWaalsContact O-CG 3.31Å; E491-L495 WeakPolarHBondContact O-CG 3.36Å; E491-L495 PolarHBondContact O-N 3.21Å; E491-R839 IonicContact OE2-CZ 2.66Å; E491-R839 IonicContact OE2-NH1 2.7Å; E491-R839 PolarHBondContact OE2-NH1 3.2Å; E491-R839 VanDerWaalsContact OE2-NH1 3.16Å; E491-R839 IonicContact OE2-NH2 3.5Å
492A84.1Confident84.5Confident0 Ų079.6 Ų79.60%036%0.355CS..Hα-helixtrans-62.3-41.3176.400000111.4E488 Q489 L495 L496 R839 L843E488-A492 WeakPolarHBondContact O-CB 3.41Å; E488-A492 PolarHBondContact O-N 3.35Å; Q489-A492 CarbonylContact O-C 3.21Å; Q489-A492 WeakPolarHBondContact O-CA 3.25Å; Q489-A492 WeakPolarHBondContact O-CB 3.4Å; Q489-A492 PolarHBondContact O-N 3.46Å; A492-L495 PolarHBondContact O-N 3.5Å; A492-L496 WeakPolarHBondContact O-CB 3.41Å; A492-L496 PolarHBondContact O-N 2.97Å; A492-R839 HydrophobicContact CB-CB 3.9Å; A492-R839 HydrophobicContact CB-CG 4.5Å; A492-L843 HydrophobicContact CB-CD1 4.24Å; A492-L843 HydrophobicContact CB-CD2 3.7Å; A492-L843 HydrophobicContact CB-CG 3.84Å
493E84.8Confident84.3Confident95 Ų9582.2 Ų82.244%0.44437%0.367SS..Hα-helixtrans-63.2-41.7175.3-74174.9179.600111.5Q489 Q490 E491 L496 A497 L843Q489-E493 WeakPolarHBondContact O-CG 3.2Å; Q489-E493 PolarHBondContact O-N 2.85Å; Q490-E493 PolarHBondContact O-N 3.15Å; E491-E493 VanDerWaalsContact C-N 3.33Å; E493-L496 PolarHBondContact O-N 3.38Å; E493-A497 VanDerWaalsContact O-CB 3.29Å; E493-A497 WeakPolarHBondContact O-CB 3.42Å; E493-A497 PolarHBondContact O-N 2.86Å; E493-L843 HydrophobicContact CB-CD2 4.37Å; E493-L843 HydrophobicContact CG-CD2 3.65Å
494R84.4Confident84Confident189 Ų18983.4 Ų83.471%0.71339%0.39SS*.Hα-helixtrans-62.6-45.1173.5-80.5-177.6176.3-174.70.1111.7Q490 E491 L496 A497 D498Q490-R494 WeakPolarHBondContact O-CG 3.32Å; Q490-R494 PolarHBondContact O-N 3.17Å; E491-R494 PolarHBondContact O-N 3.2Å; R494-L496 VanDerWaalsContact C-N 3.33Å; R494-L496 PolarHBondContact O-N 3.44Å; R494-A497 PolarHBondContact O-N 2.88Å; R494-D498 WeakPolarHBondContact O-CB 3.45Å; R494-D498 PolarHBondContact O-N 3.16Å
495L86.1Confident83.9Confident54 Ų5484.7 Ų84.728%0.28339%0.394SS..Hα-helixtrans-62.1-40.8177-72.5171.7000111.7E491 A492 F499 I836E491-L495 VanDerWaalsContact O-CG 3.31Å; E491-L495 WeakPolarHBondContact O-CG 3.36Å; E491-L495 PolarHBondContact O-N 3.21Å; A492-L495 PolarHBondContact O-N 3.5Å; L495-F499 VanDerWaalsContact O-CB 3.3Å; L495-F499 WeakPolarHBondContact O-CB 3.27Å; L495-F499 PolarHBondContact O-N 2.93Å; L495-I836 HydrophobicContact CB-CG1 4.06Å
496L86.4Confident83.7Confident33 Ų3385.2 Ų85.217%0.17341%0.407CS..Hα-helixtrans-62.7-48.2173.4-17595.1000111.1A492 E493 R494 D498 F499 C500 L512 I836 L843A492-L496 WeakPolarHBondContact O-CB 3.41Å; A492-L496 PolarHBondContact O-N 2.97Å; E493-L496 PolarHBondContact O-N 3.38Å; R494-L496 VanDerWaalsContact C-N 3.33Å; R494-L496 PolarHBondContact O-N 3.44Å; L496-D498 VanDerWaalsContact C-N 3.34Å; L496-D498 PolarHBondContact O-N 3.42Å; L496-F499 WeakPolarHBondContact O-CB 3.5Å; L496-F499 PolarHBondContact O-N 2.86Å; L496-C500 WeakPolarHBondContact O-CB 3.46Å; L496-C500 PolarHBondContact O-N 3.49Å; L496-C500 PolarHBondContact O-SG 2.99Å; L496-C500 VanDerWaalsContact O-SG 3.35Å; L496-L512 HydrophobicContact CD1-CD1 3.46Å; L496-L512 VanDerWaalsContact CD1-CD1 3.46Å; L496-L512 HydrophobicContact CD1-CD2 4.08Å; L496-L512 HydrophobicContact CD1-CG 4.34Å; L496-I836 HydrophobicContact CD1-CG2 4.3Å; L496-L843 HydrophobicContact CD1-CD1 4.44Å
497A84.1Confident83.6Confident48 Ų4885.7 Ų85.740%0.39741%0.408SS..Hα-helixtrans-62.9-40.9179.700000112E493 R494 C500 K501E493-A497 VanDerWaalsContact O-CB 3.29Å; E493-A497 WeakPolarHBondContact O-CB 3.42Å; E493-A497 PolarHBondContact O-N 2.86Å; R494-A497 PolarHBondContact O-N 2.88Å; A497-C500 PolarHBondContact O-N 3Å; A497-K501 WeakPolarHBondContact O-CB 3.35Å; A497-K501 WeakPolarHBondContact O-CG 3.41Å; A497-K501 PolarHBondContact O-N 3.05Å
498D83.5Confident83.6Confident75 Ų7583.2 Ų83.240%0.40141%0.406SS..Hα-helixtrans-65.5-40.1174.7-75.8-13.7000111.4R494 L496 R502R494-D498 WeakPolarHBondContact O-CB 3.45Å; R494-D498 PolarHBondContact O-N 3.16Å; L496-D498 VanDerWaalsContact C-N 3.34Å; L496-D498 PolarHBondContact O-N 3.42Å; D498-R502 VanDerWaalsContact O-CG 3.26Å; D498-R502 WeakPolarHBondContact O-CG 3.46Å; D498-R502 PolarHBondContact O-N 3.47Å
499F86.3Confident83.5Confident5 Ų581.7 Ų81.72%0.02240%0.4CS..Hα-helixtrans-62.8-49.9173.7175.9-101.3000111.9L495 L496 K501 R502 Q503 F507 L512 L515 A832 L833 I836L495-F499 VanDerWaalsContact O-CB 3.3Å; L495-F499 WeakPolarHBondContact O-CB 3.27Å; L495-F499 PolarHBondContact O-N 2.93Å; L496-F499 WeakPolarHBondContact O-CB 3.5Å; L496-F499 PolarHBondContact O-N 2.86Å; F499-K501 PolarHBondContact O-N 3.47Å; F499-R502 PolarHBondContact O-N 3.31Å; F499-R502 VanDerWaalsContact O-N 3.14Å; F499-Q503 HydrophobicContact CD1-CG 4.47Å; F499-Q503 HydrophobicContact CD2-CG 4.31Å; F499-Q503 HydrophobicContact CE1-CG 4.01Å; F499-Q503 HydrophobicContact CE2-CG 3.86Å; F499-Q503 HydrophobicContact CZ-CG 3.69Å; F499-Q503 WeakPolarHBondContact O-CG 3.37Å; F499-Q503 PolarHBondContact O-N 3.36Å; F499-F507 HydrophobicContact CE1-CD2 4Å; F499-F507 HydrophobicContact CE1-CE2 4.28Å; F499-L512 HydrophobicContact CE1-CD2 4.31Å; F499-L515 HydrophobicContact CE1-CD2 3.62Å; F499-L515 HydrophobicContact CZ-CD2 3.63Å; F499-A832 HydrophobicContact CD2-CB 3.68Å; F499-A832 HydrophobicContact CE2-CB 4.29Å; F499-L833 HydrophobicContact CD1-CD2 4.21Å; F499-L833 HydrophobicContact CD2-CG 4.43Å; F499-L833 HydrophobicContact CE1-CD2 3.67Å; F499-L833 HydrophobicContact CE1-CG 4.21Å; F499-L833 HydrophobicContact CE2-CD1 4.26Å; F499-L833 HydrophobicContact CE2-CD2 4.02Å; F499-L833 HydrophobicContact CE2-CG 3.68Å; F499-L833 HydrophobicContact CZ-CD1 3.85Å; F499-L833 HydrophobicContact CZ-CD2 3.55Å; F499-L833 HydrophobicContact CZ-CG 3.55Å; F499-I836 HydrophobicContact CB-CD1 3.81Å; F499-I836 HydrophobicContact CG-CD1 4.14Å
500C85.8Confident83.2Confident9 Ų988 Ų886%0.06143%0.434CS..Hα-helixtrans-60.8-41.7177.6-71.80000112L496 A497 R502 Q503 G504 K505L496-C500 WeakPolarHBondContact O-CB 3.46Å; L496-C500 PolarHBondContact O-N 3.49Å; L496-C500 PolarHBondContact O-SG 2.99Å; L496-C500 VanDerWaalsContact O-SG 3.35Å; A497-C500 PolarHBondContact O-N 3Å; C500-R502 VanDerWaalsContact C-N 3.33Å; C500-R502 PolarHBondContact O-N 3.04Å; C500-Q503 PolarHBondContact O-N 2.89Å; C500-G504 PolarHBondContact O-N 3.31Å; C500-K505 WeakPolarHBondContact CA-O 3.31Å; C500-K505 WeakPolarHBondContact CB-O 3.42Å; C500-K505 PolarHBondContact O-N 3.43Å
501K80.3Confident83.2Confident168 Ų16888 Ų8873%0.7343%0.434SS*.Hα-helixtrans-59.5-42173.5-86.2-179179.4172.80112.2A497 F499 G504A497-K501 WeakPolarHBondContact O-CB 3.35Å; A497-K501 WeakPolarHBondContact O-CG 3.41Å; A497-K501 PolarHBondContact O-N 3.05Å; F499-K501 PolarHBondContact O-N 3.47Å; K501-G504 PolarHBondContact O-N 2.84Å
502R80.3Confident83.3Confident198 Ų19883 Ų8375%0.74741%0.411SS*.Hα-helixtrans-70.2-36.2179-72.5174.1-171.9-171.63.7112.7D498 F499 C500 G504D498-R502 VanDerWaalsContact O-CG 3.26Å; D498-R502 WeakPolarHBondContact O-CG 3.46Å; D498-R502 PolarHBondContact O-N 3.47Å; F499-R502 PolarHBondContact O-N 3.31Å; F499-R502 VanDerWaalsContact O-N 3.14Å; C500-R502 VanDerWaalsContact C-N 3.33Å; C500-R502 PolarHBondContact O-N 3.04Å; R502-G504 VanDerWaalsContact C-N 3.34Å
503Q80.9Confident83.4Confident77 Ų7788.5 Ų88.536%0.3644%0.437SS..Hα-helixtrans-80.4-14.9176.6-65.9-63.2-15.400113.4F499 C500 K505 F507F499-Q503 HydrophobicContact CD1-CG 4.47Å; F499-Q503 HydrophobicContact CD2-CG 4.31Å; F499-Q503 HydrophobicContact CE1-CG 4.01Å; F499-Q503 HydrophobicContact CE2-CG 3.86Å; F499-Q503 HydrophobicContact CZ-CG 3.69Å; F499-Q503 WeakPolarHBondContact O-CG 3.37Å; F499-Q503 PolarHBondContact O-N 3.36Å; C500-Q503 PolarHBondContact O-N 2.89Å; Q503-K505 PolarHBondContact O-N 3.26Å; Q503-F507 HydrophobicContact CB-CE2 3.92Å; Q503-F507 HydrophobicContact CG-CE2 4.28Å
504G79.2Confident83.5Confident66 Ų6686.9 Ų86.968%0.6844%0.439SS*.THydrogen-bonded Turntrans68.315.5-178.500000114.3C500 K501 R502C500-G504 PolarHBondContact O-N 3.31Å; K501-G504 PolarHBondContact O-N 2.84Å; R502-G504 VanDerWaalsContact C-N 3.34Å
505K81Confident83.7Confident145 Ų14578.7 Ų78.763%0.6341%0.41SS*.SBendtrans-139.3142.4176.9-84.8-175.3173.7-176.70109.3C500 Q503 F507C500-K505 WeakPolarHBondContact CA-O 3.31Å; C500-K505 WeakPolarHBondContact CB-O 3.42Å; C500-K505 PolarHBondContact O-N 3.43Å; Q503-K505 PolarHBondContact O-N 3.26Å; K505-F507 HydrophobicContact CB-CE2 3.99Å; K505-F507 HydrophobicContact CB-CZ 4.1Å
506N81.3Confident83.9Confident149 Ų14977.3 Ų77.380%0.79740%0.402SS*.  trans-86.5124.2171.4-69.3-10.8000108.4
507F82.6Confident84Confident44 Ų4482 Ų8219%0.19342%0.423CS..  trans-105.8142.6175-66.1-80000109.6F499 Q503 K505 E511 L512 L515F499-F507 HydrophobicContact CE1-CD2 4Å; F499-F507 HydrophobicContact CE1-CE2 4.28Å; Q503-F507 HydrophobicContact CB-CE2 3.92Å; Q503-F507 HydrophobicContact CG-CE2 4.28Å; K505-F507 HydrophobicContact CB-CE2 3.99Å; K505-F507 HydrophobicContact CB-CZ 4.1Å; F507-E511 WeakPolarHBondContact CA-OE2 3.38Å; F507-L512 HydrophobicContact CB-CD2 3.96Å; F507-L515 HydrophobicContact CD1-CD2 3.92Å; F507-L515 HydrophobicContact CD2-CD2 3.86Å; F507-L515 HydrophobicContact CE1-CD1 3.81Å; F507-L515 HydrophobicContact CE1-CD2 3.77Å; F507-L515 HydrophobicContact CE1-CG 4.33Å; F507-L515 HydrophobicContact CE2-CD2 3.7Å; F507-L515 HydrophobicContact CG-CD2 3.95Å; F507-L515 HydrophobicContact CZ-CD1 3.84Å; F507-L515 HydrophobicContact CZ-CD2 3.65Å; F507-L515 HydrophobicContact CZ-CG 4.4Å
508D83.6Confident84.3Confident102 Ų10285.4 Ų85.455%0.54543%0.43SS..  trans-81.1159.5170.7-153.4-12.6000110.8D510 E511D508-D510 VanDerWaalsContact C-N 3.27Å; D508-D510 PolarHBondContact O-N 2.98Å; D508-E511 HydrophobicContact CB-CG 4.11Å; D508-E511 PolarHBondContact N-OE2 2.89Å; D508-E511 VanDerWaalsContact N-OE2 3.08Å; D508-E511 WeakPolarHBondContact O-CB 3.45Å; D508-E511 PolarHBondContact O-N 3.44Å
509I80.2Confident84.5Confident41 Ų4182.5 Ų82.521%0.2142%0.415CS..G310 helixtrans-56.6-43.3-176.1-60171.1000110.6E511 L512 L840 L843I509-E511 PolarHBondContact O-N 2.99Å; I509-L512 PolarHBondContact O-N 3.11Å; I509-L840 HydrophobicContact CG2-CD2 3.71Å; I509-L843 HydrophobicContact CD1-CB 3.86Å; I509-L843 WeakPolarHBondContact CD1-O 3.03Å; I509-L843 HydrophobicContact CG1-CB 4.36Å
510D82.3Confident84.7Confident146 Ų14687 Ų8778%0.78144%0.436SS*.G310 helixtrans-68.2-18.4-179.4-65.5-19.8000113.3D508D508-D510 VanDerWaalsContact C-N 3.27Å; D508-D510 PolarHBondContact O-N 2.98Å
511E86.1Confident84.8Confident99 Ų9989.6 Ų89.646%0.46346%0.458SS..G310 helixtrans-86.4-20.5-179.6-59.7-179.7154.800112.5F507 D508 I509 E513 A514 L515F507-E511 WeakPolarHBondContact CA-OE2 3.38Å; D508-E511 HydrophobicContact CB-CG 4.11Å; D508-E511 PolarHBondContact N-OE2 2.89Å; D508-E511 VanDerWaalsContact N-OE2 3.08Å; D508-E511 WeakPolarHBondContact O-CB 3.45Å; D508-E511 PolarHBondContact O-N 3.44Å; I509-E511 PolarHBondContact O-N 2.99Å; E511-E513 PolarHBondContact O-N 3.08Å; E511-A514 PolarHBondContact O-N 3.44Å; E511-L515 WeakPolarHBondContact O-CB 3.31Å; E511-L515 PolarHBondContact O-N 3.14Å
512L86.8Confident85.1Confident0 Ų086.6 Ų86.60%044%0.442CS..Hα-helixtrans-66-36.1-169.9-64.8170.3000113.3L496 F499 F507 I509 H516 L833 I836 L840L496-L512 HydrophobicContact CD1-CD1 3.46Å; L496-L512 VanDerWaalsContact CD1-CD1 3.46Å; L496-L512 HydrophobicContact CD1-CD2 4.08Å; L496-L512 HydrophobicContact CD1-CG 4.34Å; F499-L512 HydrophobicContact CE1-CD2 4.31Å; F507-L512 HydrophobicContact CB-CD2 3.96Å; I509-L512 PolarHBondContact O-N 3.11Å; L512-H516 WeakPolarHBondContact O-CB 3.32Å; L512-H516 PolarHBondContact O-N 3.37Å; L512-L833 HydrophobicContact CB-CD2 4.46Å; L512-L833 HydrophobicContact CD2-CD2 3.9Å; L512-I836 HydrophobicContact CD1-CG2 4.1Å; L512-L840 HydrophobicContact CB-CD2 4.43Å; L512-L840 HydrophobicContact CD1-CD2 3.73Å
513E85.5Confident85.5Confident115 Ų11578.7 Ų78.754%0.53742%0.415SS..Hα-helixtrans-67.6-41.6175.6-70.2-170.416500111.7E511 H516 Q517 L837 L840E511-E513 PolarHBondContact O-N 3.08Å; E513-H516 PolarHBondContact O-N 2.95Å; E513-Q517 WeakPolarHBondContact O-CG 3.29Å; E513-Q517 PolarHBondContact O-N 3.28Å; E513-Q517 VanDerWaalsContact O-N 3.15Å; E513-L837 HydrophobicContact CG-CD2 3.94Å; E513-L840 HydrophobicContact CG-CD1 4.01Å
514A86.9Confident85.8Confident61 Ų6177.6 Ų77.650%0.50442%0.418SS..Hα-helixtrans-65.6-41.917600000111.3E511 H516 Q517 E518E511-A514 PolarHBondContact O-N 3.44Å; A514-H516 PolarHBondContact O-N 3.36Å; A514-Q517 PolarHBondContact O-N 2.97Å; A514-E518 PolarHBondContact O-N 3.47Å
515L88Confident86.2Confident17 Ų1777.7 Ų77.79%0.08941%0.408CS..Hα-helixtrans-63.4-40175.8-176.569000111.9F499 F507 E511 E518 L519 L833F499-L515 HydrophobicContact CE1-CD2 3.62Å; F499-L515 HydrophobicContact CZ-CD2 3.63Å; F507-L515 HydrophobicContact CD1-CD2 3.92Å; F507-L515 HydrophobicContact CD2-CD2 3.86Å; F507-L515 HydrophobicContact CE1-CD1 3.81Å; F507-L515 HydrophobicContact CE1-CD2 3.77Å; F507-L515 HydrophobicContact CE1-CG 4.33Å; F507-L515 HydrophobicContact CE2-CD2 3.7Å; F507-L515 HydrophobicContact CG-CD2 3.95Å; F507-L515 HydrophobicContact CZ-CD1 3.84Å; F507-L515 HydrophobicContact CZ-CD2 3.65Å; F507-L515 HydrophobicContact CZ-CG 4.4Å; E511-L515 WeakPolarHBondContact O-CB 3.31Å; E511-L515 PolarHBondContact O-N 3.14Å; L515-E518 PolarHBondContact O-N 3.25Å; L515-L519 HydrophobicContact CG-CD1 4.43Å; L515-L519 WeakPolarHBondContact O-CG 3.45Å; L515-L519 PolarHBondContact O-N 3.07Å; L515-L833 HydrophobicContact CD2-CD1 4.27Å; L515-L833 HydrophobicContact CG-CD1 4.27Å
516H90.5Very high86.4Confident26 Ų2671.4 Ų71.412%0.1238%0.382CS..Hα-helixtrans-59.1-48.2175.3-179.872.8000111.3L512 E513 A514 E518 L519 E520 L833 N834 L837L512-H516 WeakPolarHBondContact O-CB 3.32Å; L512-H516 PolarHBondContact O-N 3.37Å; E513-H516 PolarHBondContact O-N 2.95Å; A514-H516 PolarHBondContact O-N 3.36Å; H516-E518 PolarHBondContact O-N 2.88Å; H516-L519 PolarHBondContact O-N 3.49Å; H516-E520 IonicContact CE1-OE1 3.88Å; H516-E520 IonicContact NE2-OE1 2.67Å; H516-E520 PolarHBondContact NE2-OE1 3.5Å; H516-E520 WeakPolarHBondContact O-CG 3.38Å; H516-E520 PolarHBondContact O-N 3.49Å; H516-L833 HydrophobicContact CB-CD1 3.98Å; H516-N834 PolarHBondContact CE1-OD1 3.46Å; H516-L837 HydrophobicContact CB-CD1 4.18Å
517Q89.2Confident86.6Confident130 Ų13067 Ų6761%0.60736%0.362SS*.Hα-helixtrans-63-39.8176.5-67.4175.217.900112.3E513 A514 E520 A521E513-Q517 WeakPolarHBondContact O-CG 3.29Å; E513-Q517 PolarHBondContact O-N 3.28Å; E513-Q517 VanDerWaalsContact O-N 3.15Å; A514-Q517 PolarHBondContact O-N 2.97Å; Q517-E520 PolarHBondContact O-N 3.34Å; Q517-A521 WeakPolarHBondContact O-CB 3.46Å; Q517-A521 PolarHBondContact O-N 3.12Å
518E89.2Confident86.6Confident120 Ų12069.6 Ų69.656%0.56138%0.379SS*.Hα-helixtrans-61.8-46.6175.8-171.6-173.4165.700111.4A514 L515 H516 A521 R522A514-E518 PolarHBondContact O-N 3.47Å; L515-E518 PolarHBondContact O-N 3.25Å; H516-E518 PolarHBondContact O-N 2.88Å; E518-A521 PolarHBondContact O-N 2.67Å; E518-R522 WeakPolarHBondContact O-CB 3.23Å; E518-R522 PolarHBondContact O-N 3.04Å
519L88.6Confident86.6Confident15 Ų1566.1 Ų66.18%0.07936%0.362CS..Hα-helixtrans-66.4-38.7178.7-70.9-178.7000112.1L515 H516 R522 I523 A826 V830 L833L515-L519 HydrophobicContact CG-CD1 4.43Å; L515-L519 WeakPolarHBondContact O-CG 3.45Å; L515-L519 PolarHBondContact O-N 3.07Å; H516-L519 PolarHBondContact O-N 3.49Å; L519-R522 CarbonylContact O-C 3.6Å; L519-R522 WeakPolarHBondContact O-CB 3.43Å; L519-R522 PolarHBondContact O-N 2.84Å; L519-I523 VanDerWaalsContact O-CG1 3.27Å; L519-I523 WeakPolarHBondContact O-CG1 3.45Å; L519-I523 PolarHBondContact O-N 3.48Å; L519-A826 HydrophobicContact CD2-CB 4.4Å; L519-V830 HydrophobicContact CB-CG2 3.62Å; L519-V830 HydrophobicContact CD1-CG2 4.41Å; L519-L833 HydrophobicContact CD1-CD1 3.88Å
520E89.6Confident86.5Confident99 Ų9965.4 Ų65.446%0.46336%0.359SS..Hα-helixtrans-63.8-44.2174.3-74.3-163.3148.600112.3H516 Q517 R522 I523 A524 V830H516-E520 IonicContact CE1-OE1 3.88Å; H516-E520 IonicContact NE2-OE1 2.67Å; H516-E520 PolarHBondContact NE2-OE1 3.5Å; H516-E520 WeakPolarHBondContact O-CG 3.38Å; H516-E520 PolarHBondContact O-N 3.49Å; Q517-E520 PolarHBondContact O-N 3.34Å; E520-R522 VanDerWaalsContact C-N 3.26Å; E520-R522 PolarHBondContact O-N 2.93Å; E520-I523 PolarHBondContact O-N 3.38Å; E520-A524 PolarHBondContact O-N 3.25Å; E520-V830 HydrophobicContact CG-CG1 4.48Å; E520-V830 HydrophobicContact CG-CG2 4.19Å
521A87.7Confident86.4Confident63 Ų6361.3 Ų61.352%0.52134%0.342SS..Hα-helixtrans-61-38173.600000111.6Q517 E518 A524 S525Q517-A521 WeakPolarHBondContact O-CB 3.46Å; Q517-A521 PolarHBondContact O-N 3.12Å; E518-A521 PolarHBondContact O-N 2.67Å; A521-A524 PolarHBondContact O-N 3.16Å; A521-S525 PolarHBondContact O-N 3.27Å; A521-S525 PolarHBondContact O-OG 2.89Å; A521-S525 VanDerWaalsContact O-OG 3.05Å
522R88.6Confident86.3Confident106 Ų10660.5 Ų60.540%0.434%0.341SS..Hα-helixtrans-67.4-40.1174.8-167.4165.5-177.6173.1-1.9112.4E518 L519 E520 S525 L526E518-R522 WeakPolarHBondContact O-CB 3.23Å; E518-R522 PolarHBondContact O-N 3.04Å; L519-R522 CarbonylContact O-C 3.6Å; L519-R522 WeakPolarHBondContact O-CB 3.43Å; L519-R522 PolarHBondContact O-N 2.84Å; E520-R522 VanDerWaalsContact C-N 3.26Å; E520-R522 PolarHBondContact O-N 2.93Å; R522-S525 WeakPolarHBondContact CA-OG 3.42Å; R522-S525 PolarHBondContact O-OG 2.79Å; R522-L526 HydrophobicContact CG-CD1 3.86Å; R522-L526 HydrophobicContact CG-CG 4.3Å; R522-L526 VanDerWaalsContact O-CB 3.28Å; R522-L526 WeakPolarHBondContact O-CB 3.37Å; R522-L526 VanDerWaalsContact O-CG 3.24Å; R522-L526 WeakPolarHBondContact O-CG 3.49Å; R522-L526 PolarHBondContact O-N 3.44Å
523I87.7Confident86.1Confident32 Ų3260.9 Ų60.916%0.16434%0.344CS..Hα-helixtrans-61.5-44.9173.3-71.8168.9000110.6L519 E520 L526 S527 F823 A826 K827 V830L519-I523 VanDerWaalsContact O-CG1 3.27Å; L519-I523 WeakPolarHBondContact O-CG1 3.45Å; L519-I523 PolarHBondContact O-N 3.48Å; E520-I523 PolarHBondContact O-N 3.38Å; I523-L526 PolarHBondContact O-N 2.91Å; I523-S527 VanDerWaalsContact O-CB 3.22Å; I523-S527 WeakPolarHBondContact O-CB 3.44Å; I523-S527 PolarHBondContact O-N 3.36Å; I523-F823 HydrophobicContact CG2-CD2 4.45Å; I523-F823 HydrophobicContact CG2-CE2 3.85Å; I523-A826 HydrophobicContact CD1-CB 4.38Å; I523-A826 HydrophobicContact CG1-CB 3.7Å; I523-K827 HydrophobicContact CD1-CG 4.02Å; I523-K827 HydrophobicContact CG1-CG 4.37Å; I523-V830 HydrophobicContact CD1-CB 4.07Å; I523-V830 HydrophobicContact CD1-CG2 3.54Å
524A86.9Confident85.8Confident53 Ų5363.8 Ų63.844%0.43835%0.35SS..Hα-helixtrans-60.5-51.3178.600000111.4E520 A521 L526 S527 D528E520-A524 PolarHBondContact O-N 3.25Å; A521-A524 PolarHBondContact O-N 3.16Å; A524-L526 PolarHBondContact O-N 3.02Å; A524-S527 WeakPolarHBondContact O-CB 3.21Å; A524-S527 PolarHBondContact O-N 3.46Å; A524-D528 PolarHBondContact O-N 3.49Å
525S88Confident85.7Confident68 Ų6867.6 Ų67.648%0.47636%0.358SS..Hα-helixtrans-62.3-40.5178560000113.9A521 R522 S529A521-S525 PolarHBondContact O-N 3.27Å; A521-S525 PolarHBondContact O-OG 2.89Å; A521-S525 VanDerWaalsContact O-OG 3.05Å; R522-S525 WeakPolarHBondContact CA-OG 3.42Å; R522-S525 PolarHBondContact O-OG 2.79Å; S525-S529 PolarHBondContact O-N 3.46Å
526L85.9Confident85.5Confident14 Ų1472.2 Ų72.27%0.07338%0.379CS..Hα-helixtrans-71.5-31.5175.8-71.9173.5000112.4R522 I523 A524 S529 V530 Q819 Q822 F823R522-L526 HydrophobicContact CG-CD1 3.86Å; R522-L526 HydrophobicContact CG-CG 4.3Å; R522-L526 VanDerWaalsContact O-CB 3.28Å; R522-L526 WeakPolarHBondContact O-CB 3.37Å; R522-L526 VanDerWaalsContact O-CG 3.24Å; R522-L526 WeakPolarHBondContact O-CG 3.49Å; R522-L526 PolarHBondContact O-N 3.44Å; I523-L526 PolarHBondContact O-N 2.91Å; A524-L526 PolarHBondContact O-N 3.02Å; L526-S529 PolarHBondContact O-N 2.92Å; L526-S529 PolarHBondContact O-OG 3.27Å; L526-V530 WeakPolarHBondContact O-CB 3.48Å; L526-V530 WeakPolarHBondContact O-CG2 3.33Å; L526-V530 PolarHBondContact O-N 3.44Å; L526-Q819 HydrophobicContact CD2-CB 4.32Å; L526-Q819 HydrophobicContact CD2-CG 4.31Å; L526-Q822 HydrophobicContact CD1-CB 3.93Å; L526-F823 HydrophobicContact CB-CB 4.22Å; L526-F823 HydrophobicContact CB-CD2 3.9Å; L526-F823 HydrophobicContact CD1-CB 4.24Å
527S84.9Confident85.2Confident55 Ų5575.2 Ų75.239%0.38539%0.389SS..Hα-helixtrans-63.5-46.4173.9-177.90000110.7I523 A524 V530 S531I523-S527 VanDerWaalsContact O-CB 3.22Å; I523-S527 WeakPolarHBondContact O-CB 3.44Å; I523-S527 PolarHBondContact O-N 3.36Å; A524-S527 WeakPolarHBondContact O-CB 3.21Å; A524-S527 PolarHBondContact O-N 3.46Å; S527-V530 PolarHBondContact O-N 2.93Å; S527-S531 PolarHBondContact O-N 3.14Å
528D83.1Confident85.1Confident100 Ų10075.6 Ų75.654%0.53539%0.392SS..Hα-helixtrans-62-44.1175.7-69.8-14.8000110.6A524 V530 S531 N532A524-D528 PolarHBondContact O-N 3.49Å; D528-V530 PolarHBondContact O-N 3.38Å; D528-S531 PolarHBondContact O-N 3.41Å; D528-S531 PolarHBondContact O-OG 2.97Å; D528-N532 VanDerWaalsContact O-CG 3.32Å; D528-N532 PolarHBondContact O-N 3.29Å; D528-N532 PolarHBondContact O-ND2 2.87Å
529S82.1Confident85.1Confident29 Ų2972.5 Ų72.520%0.20339%0.387CS..Hα-helixtrans-64-42177.984.70000112.9S525 L526 S531 N532 A533 Q819S525-S529 PolarHBondContact O-N 3.46Å; L526-S529 PolarHBondContact O-N 2.92Å; L526-S529 PolarHBondContact O-OG 3.27Å; S529-S531 VanDerWaalsContact C-N 3.27Å; S529-S531 PolarHBondContact O-N 3.35Å; S529-N532 PolarHBondContact O-N 3.05Å; S529-A533 WeakPolarHBondContact O-CB 3.32Å; S529-A533 PolarHBondContact O-N 3.06Å; S529-Q819 PolarHBondContact OG-OE1 2.95Å
530V79.6Confident85.1Confident25 Ų2573.4 Ų73.415%0.15239%0.392CS..Hα-helixtrans-65.1-32.6176.71690000111.3L526 S527 D528 R820L526-V530 WeakPolarHBondContact O-CB 3.48Å; L526-V530 WeakPolarHBondContact O-CG2 3.33Å; L526-V530 PolarHBondContact O-N 3.44Å; S527-V530 PolarHBondContact O-N 2.93Å; D528-V530 PolarHBondContact O-N 3.38Å; V530-R820 HydrophobicContact CG2-CG 4.33Å
531S80Confident85.1Confident60 Ų6074 Ų7442%0.4239%0.39SS..Hα-helixtrans-71.4-49.8175.379.80000112.1S527 D528 S529 A533 R534S527-S531 PolarHBondContact O-N 3.14Å; D528-S531 PolarHBondContact O-N 3.41Å; D528-S531 PolarHBondContact O-OG 2.97Å; S529-S531 VanDerWaalsContact C-N 3.27Å; S529-S531 PolarHBondContact O-N 3.35Å; S531-A533 VanDerWaalsContact C-N 3.3Å; S531-A533 PolarHBondContact O-N 2.95Å; S531-R534 WeakPolarHBondContact O-CB 3.27Å; S531-R534 PolarHBondContact O-N 3.43Å; S531-R534 VanDerWaalsContact O-N 3.08Å
532N83.6Confident85.2Confident82 Ų8276.2 Ų76.244%0.43939%0.39SS..Hα-helixtrans-62.4-36.5178.6-68.4-17.4000111.9D528 S529 R534 E535 E536D528-N532 VanDerWaalsContact O-CG 3.32Å; D528-N532 PolarHBondContact O-N 3.29Å; D528-N532 PolarHBondContact O-ND2 2.87Å; S529-N532 PolarHBondContact O-N 3.05Å; N532-R534 PolarHBondContact O-N 2.87Å; N532-R534 VanDerWaalsContact O-N 3.14Å; N532-E535 WeakPolarHBondContact O-CB 3.42Å; N532-E535 PolarHBondContact O-N 3.01Å; N532-E536 PolarHBondContact O-N 2.97Å
533A82.6Confident85.4Confident8 Ų874.2 Ų74.27%0.06639%0.385CS..Hα-helixtrans-61-23.5176.800000113.5S529 S531 R537 H812 N816S529-A533 WeakPolarHBondContact O-CB 3.32Å; S529-A533 PolarHBondContact O-N 3.06Å; S531-A533 VanDerWaalsContact C-N 3.3Å; S531-A533 PolarHBondContact O-N 2.95Å; A533-R537 VanDerWaalsContact O-CB 3.25Å; A533-R537 WeakPolarHBondContact O-CB 3.37Å; A533-R537 PolarHBondContact O-N 2.82Å; A533-R537 VanDerWaalsContact O-N 3.11Å; A533-H812 PolarHBondContact O-CE1 3.35Å; A533-H812 PolarHBondContact O-NE2 3.38Å; A533-N816 WeakPolarHBondContact CB-ND2 3.44Å
534R80.2Confident85.5Confident177 Ų17774.4 Ų74.467%0.66839%0.385SS*.Hα-helixtrans-70.6-40.4172.3-70.5-174.6178.9-175.41111.6S531 N532 M538S531-R534 WeakPolarHBondContact O-CB 3.27Å; S531-R534 PolarHBondContact O-N 3.43Å; S531-R534 VanDerWaalsContact O-N 3.08Å; N532-R534 PolarHBondContact O-N 2.87Å; N532-R534 VanDerWaalsContact O-N 3.14Å; R534-M538 WeakPolarHBondContact O-CB 3.42Å; R534-M538 PolarHBondContact O-N 3.25Å
535E83.3Confident85.6Confident141 Ų14178 Ų7866%0.65939%0.393SS*.Hα-helixtrans-69.2-45178.5-60.8-172.2168.800110.9N532 R537 M538 A539N532-E535 WeakPolarHBondContact O-CB 3.42Å; N532-E535 PolarHBondContact O-N 3.01Å; E535-R537 PolarHBondContact O-N 3.5Å; E535-M538 PolarHBondContact O-N 3.08Å; E535-M538 VanDerWaalsContact O-N 3.14Å; E535-A539 PolarHBondContact O-N 2.84Å
536E84.3Confident85.8Confident113 Ų11380.2 Ų80.253%0.52840%0.396SS..Hα-helixtrans-59.6-45175.4-70.7-176.1-172.900111.9N532 M538 A539 L540 H812N532-E536 PolarHBondContact O-N 2.97Å; E536-M538 VanDerWaalsContact C-N 3.31Å; E536-M538 PolarHBondContact O-N 3.17Å; E536-A539 PolarHBondContact O-N 3.44Å; E536-L540 WeakPolarHBondContact O-CG 3.11Å; E536-L540 PolarHBondContact O-N 2.74Å; E536-H812 IonicContact OE2-CD2 2.65Å; E536-H812 IonicContact OE2-NE2 2.71Å
537R85.2Confident86Confident89 Ų8980.5 Ų80.534%0.33640%0.397SS..Hα-helixtrans-61.1-40.2175.1-172.6-175.1-171.4-162.59.2112.1A533 E535 R541 L809 E813A533-R537 VanDerWaalsContact O-CB 3.25Å; A533-R537 WeakPolarHBondContact O-CB 3.37Å; A533-R537 PolarHBondContact O-N 2.82Å; A533-R537 VanDerWaalsContact O-N 3.11Å; E535-R537 PolarHBondContact O-N 3.5Å; R537-R541 WeakPolarHBondContact O-CB 3.49Å; R537-R541 WeakPolarHBondContact O-CG 3.43Å; R537-R541 PolarHBondContact O-N 3.34Å; R537-L809 HydrophobicContact CG-CD2 4.28Å; R537-E813 IonicContact CZ-OE1 3.45Å; R537-E813 IonicContact NE-OE1 3.35Å; R537-E813 PolarHBondContact NE-OE1 3.38Å; R537-E813 IonicContact NH2-OE1 3.09Å; R537-E813 PolarHBondContact NH2-OE1 3.36Å
538M85.7Confident86.3Confident138 Ų13882.2 Ų82.268%0.6840%0.399SS*.Hα-helixtrans-66.1-42.7178.3-174.8171.6174.900111R534 E535 E536 R541 Q542R534-M538 WeakPolarHBondContact O-CB 3.42Å; R534-M538 PolarHBondContact O-N 3.25Å; E535-M538 PolarHBondContact O-N 3.08Å; E535-M538 VanDerWaalsContact O-N 3.14Å; E536-M538 VanDerWaalsContact C-N 3.31Å; E536-M538 PolarHBondContact O-N 3.17Å; M538-R541 PolarHBondContact O-N 2.87Å; M538-Q542 WeakPolarHBondContact O-CB 3.42Å; M538-Q542 PolarHBondContact O-N 3.2Å
539A89.2Confident86.6Confident55 Ų5580.8 Ų80.846%0.45540%0.397SS..Hα-helixtrans-61.6-47175.800000112.1E535 E536 R541 Q542 E543E535-A539 PolarHBondContact O-N 2.84Å; E536-A539 PolarHBondContact O-N 3.44Å; A539-R541 PolarHBondContact O-N 2.93Å; A539-Q542 PolarHBondContact O-N 2.85Å; A539-E543 PolarHBondContact O-N 2.8Å
540L90.2Very high87.1Confident35 Ų3584.4 Ų84.418%0.18341%0.406CS..Hα-helixtrans-61.9-40177.3-70.5172.5000112.6E536 Q544 L805 L809 H812E536-L540 WeakPolarHBondContact O-CG 3.11Å; E536-L540 PolarHBondContact O-N 2.74Å; L540-Q544 WeakPolarHBondContact O-CB 3.3Å; L540-Q544 PolarHBondContact O-N 3.39Å; L540-L805 HydrophobicContact CD2-CD2 3.6Å; L540-L809 HydrophobicContact CB-CD2 3.8Å; L540-L809 HydrophobicContact CB-CG 3.96Å; L540-L809 HydrophobicContact CD1-CD2 4.21Å; L540-L809 HydrophobicContact CD1-CG 4.31Å; L540-H812 HydrophobicContact CD1-CB 4.49Å
541R88.7Confident87.6Confident112 Ų11283.8 Ų83.842%0.42340%0.402SS..Hα-helixtrans-67.4-41175.5-79.4-175.7174-171.3-5.4112.4R537 M538 A539 E543 Q544 E545 L809R537-R541 WeakPolarHBondContact O-CB 3.49Å; R537-R541 WeakPolarHBondContact O-CG 3.43Å; R537-R541 PolarHBondContact O-N 3.34Å; M538-R541 PolarHBondContact O-N 2.87Å; A539-R541 PolarHBondContact O-N 2.93Å; R541-E543 VanDerWaalsContact C-N 3.34Å; R541-E543 PolarHBondContact O-N 3.33Å; R541-Q544 WeakPolarHBondContact O-CB 3.49Å; R541-Q544 PolarHBondContact O-N 3.46Å; R541-E545 WeakPolarHBondContact O-CG 3.32Å; R541-E545 PolarHBondContact O-N 3.38Å; R541-L809 HydrophobicContact CG-CD2 4.2Å
542Q89.9Confident88Confident108 Ų10886.8 Ų86.851%0.50541%0.409SS..Hα-helixtrans-62.6-42.3176.7-170.1179.511.500111.2M538 A539 Q544 E545 Q546M538-Q542 WeakPolarHBondContact O-CB 3.42Å; M538-Q542 PolarHBondContact O-N 3.2Å; A539-Q542 PolarHBondContact O-N 2.85Å; Q542-Q544 VanDerWaalsContact C-N 3.35Å; Q542-E545 PolarHBondContact O-N 3.38Å; Q542-Q546 WeakPolarHBondContact O-CB 3.41Å; Q542-Q546 VanDerWaalsContact O-CG 3.28Å; Q542-Q546 WeakPolarHBondContact O-CG 3.27Å; Q542-Q546 PolarHBondContact O-N 3.07Å
543E92.3Very high88.2Confident64 Ų6485.3 Ų85.330%0.29941%0.406SS..Hα-helixtrans-62-42.5173.5-165.1-177159.100111A539 R541 Q546 L547 R801 L805A539-E543 PolarHBondContact O-N 2.8Å; R541-E543 VanDerWaalsContact C-N 3.34Å; R541-E543 PolarHBondContact O-N 3.33Å; E543-Q546 PolarHBondContact O-N 3.34Å; E543-L547 HydrophobicContact CG-CD1 4.46Å; E543-L547 WeakPolarHBondContact O-CB 3.45Å; E543-L547 VanDerWaalsContact O-CG 3.27Å; E543-L547 WeakPolarHBondContact O-CG 3.44Å; E543-L547 PolarHBondContact O-N 3.26Å; E543-R801 IonicContact OE1-CZ 3.85Å; E543-R801 IonicContact OE1-NE 3.79Å; E543-R801 PolarHBondContact OE1-NE 3.24Å; E543-R801 IonicContact OE1-NH2 2.68Å; E543-R801 PolarHBondContact OE1-NH2 2.84Å; E543-R801 IonicContact OE2-NH2 3.58Å; E543-L805 HydrophobicContact CB-CD1 4.17Å; E543-L805 HydrophobicContact CG-CD1 3.79Å
544Q89.3Confident88.6Confident37 Ų3785 Ų8517%0.17340%0.403CS..Hα-helixtrans-61.9-43.9176.9-170.6-176.820.400112.8L540 R541 Q542 L547 Q548 L809L540-Q544 WeakPolarHBondContact O-CB 3.3Å; L540-Q544 PolarHBondContact O-N 3.39Å; R541-Q544 WeakPolarHBondContact O-CB 3.49Å; R541-Q544 PolarHBondContact O-N 3.46Å; Q542-Q544 VanDerWaalsContact C-N 3.35Å; Q544-L547 PolarHBondContact O-N 3.2Å; Q544-Q548 WeakPolarHBondContact O-CG 3.39Å; Q544-Q548 PolarHBondContact O-N 2.89Å; Q544-L809 VanDerWaalsContact OE1-CD1 3.31Å
545E89.5Confident89Confident128 Ų12881.1 Ų81.160%0.59839%0.393SS*.Hα-helixtrans-66.1-42.4177.3-74.9176.5-174.600111.7R541 Q542 L547 Q548 S549R541-E545 WeakPolarHBondContact O-CG 3.32Å; R541-E545 PolarHBondContact O-N 3.38Å; Q542-E545 PolarHBondContact O-N 3.38Å; E545-L547 PolarHBondContact O-N 3.41Å; E545-Q548 PolarHBondContact O-N 3.39Å; E545-S549 PolarHBondContact O-N 3.06Å; E545-S549 PolarHBondContact O-OG 3.33Å
546Q91.8Very high89Confident114 Ų11481.1 Ų81.153%0.53339%0.393SS..Hα-helixtrans-59.5-46.1174.1-74.5176.25.500111.1Q542 E543 S549 R550Q542-Q546 WeakPolarHBondContact O-CB 3.41Å; Q542-Q546 VanDerWaalsContact O-CG 3.28Å; Q542-Q546 WeakPolarHBondContact O-CG 3.27Å; Q542-Q546 PolarHBondContact O-N 3.07Å; E543-Q546 PolarHBondContact O-N 3.34Å; Q546-S549 PolarHBondContact O-N 2.99Å; Q546-S549 PolarHBondContact O-OG 3.45Å; Q546-R550 WeakPolarHBondContact O-CB 3.4Å; Q546-R550 PolarHBondContact O-N 3.05Å
547L90.9Very high89.2Confident21 Ų2179 Ų7911%0.1138%0.381CS..Hα-helixtrans-62.7-42.6176-72.9175.3000112.7E543 Q544 E545 R550 I551 L798 R801 L805E543-L547 HydrophobicContact CG-CD1 4.46Å; E543-L547 WeakPolarHBondContact O-CB 3.45Å; E543-L547 VanDerWaalsContact O-CG 3.27Å; E543-L547 WeakPolarHBondContact O-CG 3.44Å; E543-L547 PolarHBondContact O-N 3.26Å; Q544-L547 PolarHBondContact O-N 3.2Å; E545-L547 PolarHBondContact O-N 3.41Å; L547-R550 PolarHBondContact O-N 3.14Å; L547-I551 WeakPolarHBondContact O-CB 3.37Å; L547-I551 WeakPolarHBondContact O-CD1 3.46Å; L547-I551 WeakPolarHBondContact O-CG1 3.29Å; L547-I551 PolarHBondContact O-N 2.86Å; L547-L798 HydrophobicContact CD2-CB 4.36Å; L547-L798 HydrophobicContact CD2-CD2 3.64Å; L547-L798 HydrophobicContact CD2-CG 4.39Å; L547-R801 HydrophobicContact CD1-CB 4.26Å; L547-R801 HydrophobicContact CD1-CG 3.71Å; L547-L805 HydrophobicContact CD1-CD1 3.3Å
548Q90.4Very high89.4Confident90 Ų9074.8 Ų74.842%0.42137%0.365SS..Hα-helixtrans-62.1-45.6176.8-78.5-179.7-1.200111.7Q544 E545 R550 I551 Q552Q544-Q548 WeakPolarHBondContact O-CG 3.39Å; Q544-Q548 PolarHBondContact O-N 2.89Å; E545-Q548 PolarHBondContact O-N 3.39Å; Q548-R550 VanDerWaalsContact C-N 3.32Å; Q548-R550 PolarHBondContact O-N 3.5Å; Q548-I551 PolarHBondContact O-N 2.74Å; Q548-Q552 WeakPolarHBondContact O-CB 3.3Å; Q548-Q552 PolarHBondContact O-N 2.98Å
549S89.7Confident89.5Confident70 Ų7069.9 Ų69.949%0.4934%0.343SS..Hα-helixtrans-61.7-40.7177740000111.9E545 Q546 Q552 S553E545-S549 PolarHBondContact O-N 3.06Å; E545-S549 PolarHBondContact O-OG 3.33Å; Q546-S549 PolarHBondContact O-N 2.99Å; Q546-S549 PolarHBondContact O-OG 3.45Å; S549-Q552 PolarHBondContact O-N 3Å; S549-S553 PolarHBondContact O-N 2.82Å
550R92.2Very high89.3Confident106 Ų10670.6 Ų70.640%0.434%0.341SS..Hα-helixtrans-66-47.2176.7-175.862.3180174.40.6111.5Q546 L547 Q548 Q552 S553 L554 E794 L798Q546-R550 WeakPolarHBondContact O-CB 3.4Å; Q546-R550 PolarHBondContact O-N 3.05Å; L547-R550 PolarHBondContact O-N 3.14Å; Q548-R550 VanDerWaalsContact C-N 3.32Å; Q548-R550 PolarHBondContact O-N 3.5Å; R550-Q552 VanDerWaalsContact C-N 3.27Å; R550-Q552 PolarHBondContact O-N 2.78Å; R550-S553 PolarHBondContact O-N 3.4Å; R550-S553 PolarHBondContact O-OG 3.18Å; R550-L554 HydrophobicContact CG-CD1 4.09Å; R550-L554 WeakPolarHBondContact O-CG 3.12Å; R550-L554 PolarHBondContact O-N 2.99Å; R550-E794 IonicContact CZ-OE1 3.75Å; R550-E794 IonicContact NE-OE1 3.46Å; R550-E794 PolarHBondContact NE-OE1 3.14Å; R550-E794 IonicContact NH2-OE1 3.16Å; R550-E794 PolarHBondContact NH2-OE1 2.95Å; R550-E794 IonicContact NH2-OE2 2.73Å; R550-L798 HydrophobicContact CB-CD1 4.01Å; R550-L798 HydrophobicContact CG-CD1 3.47Å; R550-L798 VanDerWaalsContact CG-CD1 3.47Å
551I90.2Very high89.4Confident12 Ų1270.1 Ų70.16%0.06234%0.337CS..Hα-helixtrans-56.3-43.9175-71.3164.3000110.3L547 Q548 S553 L554 M555 L798L547-I551 WeakPolarHBondContact O-CB 3.37Å; L547-I551 WeakPolarHBondContact O-CD1 3.46Å; L547-I551 WeakPolarHBondContact O-CG1 3.29Å; L547-I551 PolarHBondContact O-N 2.86Å; Q548-I551 PolarHBondContact O-N 2.74Å; I551-S553 PolarHBondContact O-N 2.87Å; I551-L554 PolarHBondContact O-N 2.81Å; I551-M555 HydrophobicContact CG2-CG 4.19Å; I551-M555 HydrophobicContact CG2-SD 3.89Å; I551-M555 WeakPolarHBondContact O-CB 3.31Å; I551-M555 VanDerWaalsContact O-CG 3.27Å; I551-M555 WeakPolarHBondContact O-CG 3.23Å; I551-M555 PolarHBondContact O-N 3.48Å; I551-L798 HydrophobicContact CD1-CB 3.88Å; I551-L798 HydrophobicContact CG1-CB 3.65Å; I551-L798 HydrophobicContact CG1-CD1 3.88Å; I551-L798 HydrophobicContact CG1-CG 4.44Å
552Q88.3Confident89.3Confident123 Ų12364.9 Ų64.958%0.57532%0.318SS*.Hα-helixtrans-63.4-42.9178.9-167.9174.211.600112.2Q548 S549 R550 L554 M555 Q556Q548-Q552 WeakPolarHBondContact O-CB 3.3Å; Q548-Q552 PolarHBondContact O-N 2.98Å; S549-Q552 PolarHBondContact O-N 3Å; R550-Q552 VanDerWaalsContact C-N 3.27Å; R550-Q552 PolarHBondContact O-N 2.78Å; Q552-L554 PolarHBondContact O-N 3.24Å; Q552-M555 PolarHBondContact O-N 2.81Å; Q552-Q556 WeakPolarHBondContact O-CG 3.31Å; Q552-Q556 PolarHBondContact O-N 3.33Å; Q552-Q556 VanDerWaalsContact O-N 3.12Å
553S89.7Confident89.1Confident51 Ų5161.6 Ų61.636%0.35731%0.309SS..Hα-helixtrans-62.4-40.8175.3730000112.5S549 R550 I551 Q556 R557S549-S553 PolarHBondContact O-N 2.82Å; R550-S553 PolarHBondContact O-N 3.4Å; R550-S553 PolarHBondContact O-OG 3.18Å; I551-S553 PolarHBondContact O-N 2.87Å; S553-Q556 PolarHBondContact O-N 2.97Å; S553-R557 PolarHBondContact O-N 3.44Å
554L90.8Very high88.9Confident2 Ų258.5 Ų58.51%0.0129%0.294CS..Hα-helixtrans-69.8-38.3177.5-67.9168.1000111.7R550 I551 Q552 Q556 R557 A558 P791 E794 I795 L798R550-L554 HydrophobicContact CG-CD1 4.09Å; R550-L554 WeakPolarHBondContact O-CG 3.12Å; R550-L554 PolarHBondContact O-N 2.99Å; I551-L554 PolarHBondContact O-N 2.81Å; Q552-L554 PolarHBondContact O-N 3.24Å; L554-Q556 VanDerWaalsContact C-N 3.27Å; L554-Q556 PolarHBondContact O-N 3.48Å; L554-R557 PolarHBondContact O-N 3.21Å; L554-R557 VanDerWaalsContact O-N 3.14Å; L554-A558 WeakPolarHBondContact O-CB 3.44Å; L554-A558 PolarHBondContact O-N 3.44Å; L554-P791 HydrophobicContact CB-CB 4.35Å; L554-P791 HydrophobicContact CD2-CB 4.04Å; L554-E794 HydrophobicContact CD1-CB 3.97Å; L554-E794 HydrophobicContact CD1-CG 3.68Å; L554-E794 WeakPolarHBondContact CD2-OE2 3.44Å; L554-I795 HydrophobicContact CB-CD1 3.78Å; L554-I795 HydrophobicContact CB-CG1 3.61Å; L554-I795 HydrophobicContact CD1-CG1 4.05Å; L554-L798 HydrophobicContact CD1-CD1 3.71Å
555M86.9Confident88.9Confident94 Ų9458.7 Ų58.746%0.46330%0.295SS..Hα-helixtrans-62.8-33.1175.3-77.5-178.467.400112.4I551 Q552 P559 I795 Y1097I551-M555 HydrophobicContact CG2-CG 4.19Å; I551-M555 HydrophobicContact CG2-SD 3.89Å; I551-M555 WeakPolarHBondContact O-CB 3.31Å; I551-M555 VanDerWaalsContact O-CG 3.27Å; I551-M555 WeakPolarHBondContact O-CG 3.23Å; I551-M555 PolarHBondContact O-N 3.48Å; Q552-M555 PolarHBondContact O-N 2.81Å; M555-P559 VanDerWaalsContact O-CD 3.22Å; M555-P559 WeakPolarHBondContact O-CD 3.49Å; M555-I795 HydrophobicContact CG-CD1 3.93Å; M555-Y1097 WeakPolarHBondContact O-CD1 3.41Å
556Q85.3Confident88.7Confident142 Ų14255.6 Ų55.666%0.66428%0.283SS*.Hα-helixtrans-73.3-33.2173.4-71.5179.9-4.600112.5Q552 S553 L554 P559Q552-Q556 WeakPolarHBondContact O-CG 3.31Å; Q552-Q556 PolarHBondContact O-N 3.33Å; Q552-Q556 VanDerWaalsContact O-N 3.12Å; S553-Q556 PolarHBondContact O-N 2.97Å; L554-Q556 VanDerWaalsContact C-N 3.27Å; L554-Q556 PolarHBondContact O-N 3.48Å; Q556-P559 WeakPolarHBondContact O-CD 3.38Å
557R87.9Confident88.5Confident69 Ų6951.1 Ų51.126%0.2626%0.264SS..Hα-helixtrans-80.5-30.3-179.9-165.1169.970.1169.60.8113.2S553 L554 V560 W561 V785 E788S553-R557 PolarHBondContact O-N 3.44Å; L554-R557 PolarHBondContact O-N 3.21Å; L554-R557 VanDerWaalsContact O-N 3.14Å; R557-V560 PolarHBondContact O-N 3.34Å; R557-V560 VanDerWaalsContact O-N 3.13Å; R557-W561 PolarHBondContact O-N 3.4Å; R557-V785 HydrophobicContact CG-CG1 4.35Å; R557-E788 WeakPolarHBondContact CD-OE2 3.39Å; R557-E788 IonicContact CZ-OE2 3.45Å; R557-E788 IonicContact NE-OE2 3.83Å; R557-E788 PolarHBondContact NE-OE2 2.83Å; R557-E788 VanDerWaalsContact NH1-CD 3.27Å; R557-E788 IonicContact NH1-OE1 3.73Å; R557-E788 PolarHBondContact NH1-OE1 2.67Å; R557-E788 VanDerWaalsContact NH1-OE1 3.14Å; R557-E788 IonicContact NH1-OE2 3.92Å; R557-E788 PolarHBondContact NH1-OE2 2.78Å; R557-E788 IonicContact NH2-OE2 2.68Å
558A89Confident88.4Confident0 Ų050.7 Ų50.70%026%0.262CS..Hα-helixtrans-55.3-42.6-175.700000115.1L554 V560 W561 L562 P791 Y1097L554-A558 WeakPolarHBondContact O-CB 3.44Å; L554-A558 PolarHBondContact O-N 3.44Å; A558-V560 VanDerWaalsContact C-N 3.33Å; A558-V560 PolarHBondContact O-N 2.86Å; A558-W561 PolarHBondContact O-N 2.92Å; A558-L562 WeakPolarHBondContact O-CB 3.39Å; A558-L562 WeakPolarHBondContact O-CG 3.17Å; A558-L562 PolarHBondContact O-N 2.91Å; A558-P791 HydrophobicContact CB-CB 4.27Å; A558-P791 HydrophobicContact CB-CG 3.82Å; A558-Y1097 HydrophobicContact CB-CD1 4.41Å; A558-Y1097 HydrophobicContact CB-CE1 3.65Å; A558-Y1097 HydrophobicContact CB-CE2 4.12Å; A558-Y1097 VanDerWaalsContact CB-CZ 3.49Å; A558-Y1097 WeakPolarHBondContact CB-OH 3.46Å
559P86.7Confident88.3Confident35 Ų3550.5 Ų50.523%0.22726%0.264CS..Hα-helixtrans-60.2-41.8175.6-24.934.1000113.2M555 Q556 L562 A563 Y1097M555-P559 VanDerWaalsContact O-CD 3.22Å; M555-P559 WeakPolarHBondContact O-CD 3.49Å; Q556-P559 WeakPolarHBondContact O-CD 3.38Å; P559-L562 PolarHBondContact O-N 3.39Å; P559-A563 WeakPolarHBondContact O-CB 3.37Å; P559-A563 PolarHBondContact O-N 2.93Å; P559-Y1097 VanDerWaalsContact CG-CB 3.5Å; P559-Y1097 HydrophobicContact CG-CD1 4.14Å; P559-Y1097 HydrophobicContact CG-CD2 3.91Å; P559-Y1097 HydrophobicContact CG-CG 3.58Å
560V86.7Confident88Confident69 Ų6952.6 Ų52.642%0.41827%0.266SS..Hα-helixtrans-67.2-41.5179.5-1770000110.2R557 A558 A563 A564 V785R557-V560 PolarHBondContact O-N 3.34Å; R557-V560 VanDerWaalsContact O-N 3.13Å; A558-V560 VanDerWaalsContact C-N 3.33Å; A558-V560 PolarHBondContact O-N 2.86Å; V560-A563 PolarHBondContact O-N 2.95Å; V560-A564 WeakPolarHBondContact O-CB 3.48Å; V560-A564 PolarHBondContact O-N 3.21Å; V560-V785 HydrophobicContact CG1-CG1 4.5Å; V560-V785 HydrophobicContact CG1-CG2 4.3Å
561W91.4Very high87.7Confident25 Ų2547.8 Ų47.810%0.09525%0.248CC..Hα-helixtrans-64.1-42.5175.1-174.793.5000112.2R557 A558 A564 Q565 V785 E788 D790 P791R557-W561 PolarHBondContact O-N 3.4Å; A558-W561 PolarHBondContact O-N 2.92Å; W561-A564 WeakPolarHBondContact O-CB 3.41Å; W561-A564 PolarHBondContact O-N 3.01Å; W561-Q565 HydrophobicContact CD2-CG 3.8Å; W561-Q565 HydrophobicContact CE3-CG 3.81Å; W561-Q565 HydrophobicContact CH2-CG 3.61Å; W561-Q565 HydrophobicContact CZ2-CG 3.57Å; W561-Q565 HydrophobicContact CZ3-CB 4.48Å; W561-Q565 HydrophobicContact CZ3-CG 3.72Å; W561-Q565 WeakPolarHBondContact O-CB 3.49Å; W561-Q565 WeakPolarHBondContact O-CG 3.47Å; W561-Q565 PolarHBondContact O-N 2.78Å; W561-V785 HydrophobicContact CB-CG1 3.81Å; W561-V785 HydrophobicContact CG-CG1 4.28Å; W561-E788 PolarHBondContact NE1-O 2.96Å; W561-D790 HydrophobicContact CH2-CB 3.76Å; W561-D790 HydrophobicContact CZ2-CB 3.87Å; W561-D790 HydrophobicContact CZ3-CB 4.41Å; W561-P791 HydrophobicContact CB-CG 3.99Å; W561-P791 HydrophobicContact CD2-CG 4.27Å; W561-P791 HydrophobicContact CE3-CG 4.48Å; W561-P791 HydrophobicContact CG-CG 4.04Å
562L86.8Confident87.6Confident3 Ų348.7 Ų48.72%0.01626%0.255CS..Hα-helixtrans-64.6-42.3176.3-75168.9000112.2A558 P559 A564 Q565 N566 R1093 E1094 Y1097A558-L562 WeakPolarHBondContact O-CB 3.39Å; A558-L562 WeakPolarHBondContact O-CG 3.17Å; A558-L562 PolarHBondContact O-N 2.91Å; P559-L562 PolarHBondContact O-N 3.39Å; L562-A564 VanDerWaalsContact C-N 3.31Å; L562-A564 PolarHBondContact O-N 3.45Å; L562-Q565 PolarHBondContact O-N 3.47Å; L562-N566 WeakPolarHBondContact O-CB 3.27Å; L562-N566 VanDerWaalsContact O-CG 3.29Å; L562-N566 PolarHBondContact O-N 3.35Å; L562-R1093 HydrophobicContact CD1-CB 3.83Å; L562-R1093 HydrophobicContact CD2-CB 4.17Å; L562-E1094 HydrophobicContact CB-CB 4.43Å; L562-Y1097 HydrophobicContact CD1-CD2 4.32Å; L562-Y1097 HydrophobicContact CD1-CE2 3.67Å
563A84.8Confident87.3Confident38 Ų3850.7 Ų50.731%0.31427%0.265SS..Hα-helixtrans-60.4-44173.700000111P559 V560 N566 S567P559-A563 WeakPolarHBondContact O-CB 3.37Å; P559-A563 PolarHBondContact O-N 2.93Å; V560-A563 PolarHBondContact O-N 2.95Å; A563-N566 PolarHBondContact O-N 3.29Å; A563-S567 PolarHBondContact O-N 3.42Å; A563-S567 PolarHBondContact O-OG 2.93Å
564A88.7Confident86.9Confident0 Ų053.5 Ų53.50%027%0.272CS..Hα-helixtrans-60.2-46174.900000111.9V560 W561 L562 S567 L568 H782 A786V560-A564 WeakPolarHBondContact O-CB 3.48Å; V560-A564 PolarHBondContact O-N 3.21Å; W561-A564 WeakPolarHBondContact O-CB 3.41Å; W561-A564 PolarHBondContact O-N 3.01Å; L562-A564 VanDerWaalsContact C-N 3.31Å; L562-A564 PolarHBondContact O-N 3.45Å; A564-S567 WeakPolarHBondContact CA-OG 3.27Å; A564-S567 PolarHBondContact O-N 2.87Å; A564-S567 PolarHBondContact O-OG 3.4Å; A564-L568 WeakPolarHBondContact O-CB 3.22Å; A564-L568 PolarHBondContact O-N 2.95Å; A564-H782 HydrophobicContact CB-CB 3.67Å; A564-A786 HydrophobicContact CB-CB 3.99Å
565Q90Very high86.5Confident41 Ų4154.6 Ų54.619%0.19228%0.28CS..Hα-helixtrans-64.7-42177.4-75.6-66.6-22.600113.2W561 L562 S567 L568 N569 A786W561-Q565 HydrophobicContact CD2-CG 3.8Å; W561-Q565 HydrophobicContact CE3-CG 3.81Å; W561-Q565 HydrophobicContact CH2-CG 3.61Å; W561-Q565 HydrophobicContact CZ2-CG 3.57Å; W561-Q565 HydrophobicContact CZ3-CB 4.48Å; W561-Q565 HydrophobicContact CZ3-CG 3.72Å; W561-Q565 WeakPolarHBondContact O-CB 3.49Å; W561-Q565 WeakPolarHBondContact O-CG 3.47Å; W561-Q565 PolarHBondContact O-N 2.78Å; L562-Q565 PolarHBondContact O-N 3.47Å; Q565-S567 VanDerWaalsContact C-N 3.31Å; Q565-S567 PolarHBondContact O-N 2.97Å; Q565-L568 PolarHBondContact O-N 3.4Å; Q565-N569 WeakPolarHBondContact O-CB 3.48Å; Q565-N569 VanDerWaalsContact O-CG 3.24Å; Q565-N569 PolarHBondContact O-N 3.01Å; Q565-N569 PolarHBondContact O-ND2 2.93Å; Q565-A786 PolarHBondContact NE2-O 3.15Å
566N85.7Confident86.4Confident63 Ų6353.2 Ų53.234%0.33729%0.289SS..Hα-helixtrans-61.1-43174.7-72.6-18.4000111L562 A563 N569 Q570 E1094L562-N566 WeakPolarHBondContact O-CB 3.27Å; L562-N566 VanDerWaalsContact O-CG 3.29Å; L562-N566 PolarHBondContact O-N 3.35Å; A563-N566 PolarHBondContact O-N 3.29Å; N566-N569 PolarHBondContact O-N 3.49Å; N566-Q570 WeakPolarHBondContact O-CG 3.49Å; N566-Q570 PolarHBondContact O-N 3.48Å; N566-E1094 PolarHBondContact ND2-OE2 3.39Å
567S86.9Confident86.3Confident20 Ų2051.3 Ų51.314%0.1428%0.281CS..Hα-helixtrans-67.8-35.5176.2650000112.9A563 A564 Q565 Q570 L571 F778 H782A563-S567 PolarHBondContact O-N 3.42Å; A563-S567 PolarHBondContact O-OG 2.93Å; A564-S567 WeakPolarHBondContact CA-OG 3.27Å; A564-S567 PolarHBondContact O-N 2.87Å; A564-S567 PolarHBondContact O-OG 3.4Å; Q565-S567 VanDerWaalsContact C-N 3.31Å; Q565-S567 PolarHBondContact O-N 2.97Å; S567-Q570 PolarHBondContact O-N 2.92Å; S567-L571 WeakPolarHBondContact O-CG 3.22Å; S567-L571 PolarHBondContact O-N 3.42Å; S567-F778 WeakPolarHBondContact OG-CD2 3.36Å; S567-F778 WeakPolarHBondContact OG-CE2 3.36Å; S567-H782 PolarHBondContact OG-CD2 3.3Å
568L89.2Confident86.3Confident12 Ų1256.5 Ų56.56%0.06331%0.308CS..Hα-helixtrans-64.9-45174.3-174.162.8000111A564 Q565 Q570 L571 S572 F579 V585 F778 F787A564-L568 WeakPolarHBondContact O-CB 3.22Å; A564-L568 PolarHBondContact O-N 2.95Å; Q565-L568 PolarHBondContact O-N 3.4Å; L568-Q570 VanDerWaalsContact C-N 3.31Å; L568-Q570 PolarHBondContact O-N 2.88Å; L568-L571 WeakPolarHBondContact O-CB 3.42Å; L568-L571 PolarHBondContact O-N 3.3Å; L568-L571 VanDerWaalsContact O-N 3.15Å; L568-S572 PolarHBondContact O-N 3.44Å; L568-S572 PolarHBondContact O-OG 3.3Å; L568-F579 HydrophobicContact CD1-CB 3.97Å; L568-F579 HydrophobicContact CD1-CD2 4.01Å; L568-F579 HydrophobicContact CD1-CG 4.34Å; L568-V585 HydrophobicContact CD1-CG2 4.26Å; L568-F778 HydrophobicContact CB-CE2 3.79Å; L568-F778 HydrophobicContact CB-CZ 4.11Å; L568-F778 HydrophobicContact CD1-CE1 4.32Å; L568-F778 HydrophobicContact CD1-CE2 4.1Å; L568-F778 HydrophobicContact CD1-CZ 3.69Å; L568-F778 HydrophobicContact CG-CZ 4.42Å; L568-F787 HydrophobicContact CD1-CZ 4.1Å; L568-F787 HydrophobicContact CD2-CE1 4.1Å; L568-F787 HydrophobicContact CD2-CZ 4.22Å
569N87.3Confident86.3Confident85 Ų8557.6 Ų57.646%0.45531%0.313SS..Hα-helixtrans-61.1-40.6176.1-71.8-23.4000111.8Q565 N566 S572 E573Q565-N569 WeakPolarHBondContact O-CB 3.48Å; Q565-N569 VanDerWaalsContact O-CG 3.24Å; Q565-N569 PolarHBondContact O-N 3.01Å; Q565-N569 PolarHBondContact O-ND2 2.93Å; N566-N569 PolarHBondContact O-N 3.49Å; N569-S572 VanDerWaalsContact C-OG 3.32Å; N569-S572 VanDerWaalsContact CA-OG 3.24Å; N569-S572 WeakPolarHBondContact CA-OG 3.35Å; N569-S572 PolarHBondContact O-N 2.83Å; N569-S572 PolarHBondContact O-OG 3.33Å; N569-E573 WeakPolarHBondContact O-CB 3.45Å; N569-E573 PolarHBondContact O-N 2.95Å
570Q84.2Confident86.4Confident115 Ų11561.4 Ų61.454%0.53734%0.335SS..Hα-helixtrans-62.5-42.8174.1-76.1175-700111.7N566 S567 L568 E573 Q574N566-Q570 WeakPolarHBondContact O-CG 3.49Å; N566-Q570 PolarHBondContact O-N 3.48Å; S567-Q570 PolarHBondContact O-N 2.92Å; L568-Q570 VanDerWaalsContact C-N 3.31Å; L568-Q570 PolarHBondContact O-N 2.88Å; Q570-E573 PolarHBondContact O-N 2.87Å; Q570-Q574 VanDerWaalsContact O-CB 3.32Å; Q570-Q574 WeakPolarHBondContact O-CB 3.28Å; Q570-Q574 WeakPolarHBondContact O-CG 3.42Å; Q570-Q574 PolarHBondContact O-N 3.39Å
571L86.3Confident86.6Confident5 Ų559.6 Ų59.63%0.02633%0.326CS..Hα-helixtrans-61.2-48.4174.6-70.5178.8000111S567 L568 E573 Q574 C575 F579 A774 F775 F778S567-L571 WeakPolarHBondContact O-CG 3.22Å; S567-L571 PolarHBondContact O-N 3.42Å; L568-L571 WeakPolarHBondContact O-CB 3.42Å; L568-L571 PolarHBondContact O-N 3.3Å; L568-L571 VanDerWaalsContact O-N 3.15Å; L571-E573 VanDerWaalsContact C-N 3.33Å; L571-E573 PolarHBondContact O-N 2.87Å; L571-Q574 PolarHBondContact O-N 3.34Å; L571-C575 PolarHBondContact O-N 3.49Å; L571-C575 PolarHBondContact O-SG 2.99Å; L571-F579 HydrophobicContact CB-CE2 4.4Å; L571-A774 HydrophobicContact CD2-CB 3.71Å; L571-F775 HydrophobicContact CB-CE2 4.47Å; L571-F775 HydrophobicContact CB-CZ 4.27Å; L571-F775 HydrophobicContact CD1-CD1 4.1Å; L571-F775 HydrophobicContact CD1-CE1 4.12Å; L571-F775 HydrophobicContact CD1-CG 4.29Å; L571-F775 HydrophobicContact CD1-CZ 4.32Å; L571-F775 HydrophobicContact CD2-CD2 3.71Å; L571-F775 HydrophobicContact CD2-CE2 3.76Å; L571-F775 HydrophobicContact CD2-CG 4.19Å; L571-F775 HydrophobicContact CD2-CZ 4.28Å; L571-F775 HydrophobicContact CG-CE2 4.48Å; L571-F778 HydrophobicContact CD1-CB 3.63Å; L571-F778 HydrophobicContact CD1-CD1 3.96Å; L571-F778 HydrophobicContact CD1-CD2 3.8Å; L571-F778 HydrophobicContact CD1-CE2 4.5Å; L571-F778 HydrophobicContact CD1-CG 3.51Å
572S87Confident86.5Confident31 Ų3160.9 Ų60.922%0.21734%0.339CS..Hα-helixtrans-62.2-38179.256.30000113L568 N569 G576 E577L568-S572 PolarHBondContact O-N 3.44Å; L568-S572 PolarHBondContact O-OG 3.3Å; N569-S572 VanDerWaalsContact C-OG 3.32Å; N569-S572 VanDerWaalsContact CA-OG 3.24Å; N569-S572 WeakPolarHBondContact CA-OG 3.35Å; N569-S572 PolarHBondContact O-N 2.83Å; N569-S572 PolarHBondContact O-OG 3.33Å; S572-G576 VanDerWaalsContact O-CA 3.23Å; S572-G576 WeakPolarHBondContact O-CA 3.16Å; S572-G576 PolarHBondContact O-N 2.8Å; S572-E577 VanDerWaalsContact CA-O 3.3Å; S572-E577 WeakPolarHBondContact CA-O 3.49Å; S572-E577 WeakPolarHBondContact CB-O 3.41Å
573E81.8Confident86.7Confident165 Ų16566.8 Ų66.877%0.77137%0.366SS*.Hα-helixtrans-71.1-38178.2-171.1170.2-156.800111.4N569 Q570 L571N569-E573 WeakPolarHBondContact O-CB 3.45Å; N569-E573 PolarHBondContact O-N 2.95Å; Q570-E573 PolarHBondContact O-N 2.87Å; L571-E573 VanDerWaalsContact C-N 3.33Å; L571-E573 PolarHBondContact O-N 2.87Å
574Q81Confident87Confident109 Ų10967.1 Ų67.151%0.50936%0.363SS..Hα-helixtrans-71.1-33.1178.1-73.3177-0.700113.4Q570 L571 L771Q570-Q574 VanDerWaalsContact O-CB 3.32Å; Q570-Q574 WeakPolarHBondContact O-CB 3.28Å; Q570-Q574 WeakPolarHBondContact O-CG 3.42Å; Q570-Q574 PolarHBondContact O-N 3.39Å; L571-Q574 PolarHBondContact O-N 3.34Å; Q574-L771 HydrophobicContact CB-CD2 3.77Å
575C84.2Confident87Confident25 Ų2567.1 Ų67.117%0.16936%0.363CS..Hα-helixtrans-103.9-15.4-177.375.30000114.7L571 E577 Y588L571-C575 PolarHBondContact O-N 3.49Å; L571-C575 PolarHBondContact O-SG 2.99Å; C575-E577 VanDerWaalsContact C-N 3.31Å; C575-Y588 HydrophobicContact CB-CE1 3.89Å; C575-Y588 WeakPolarHBondContact CB-OH 2.99Å
576G83.1Confident87Confident65 Ų6567.5 Ų67.567%0.6737%0.368SS*.  trans75.511.7-178.500000115.2S572S572-G576 VanDerWaalsContact O-CA 3.23Å; S572-G576 WeakPolarHBondContact O-CA 3.16Å; S572-G576 PolarHBondContact O-N 2.8Å
577E84.6Confident87.2Confident103 Ų10369.5 Ų69.548%0.48138%0.375SS..  trans-109.4145.4-178.2-65.2-69.8165.900110.9S572 C575 F579 Y588S572-E577 VanDerWaalsContact CA-O 3.3Å; S572-E577 WeakPolarHBondContact CA-O 3.49Å; S572-E577 WeakPolarHBondContact CB-O 3.41Å; C575-E577 VanDerWaalsContact C-N 3.31Å; E577-F579 HydrophobicContact CB-CE1 4.35Å; E577-F579 HydrophobicContact CB-CE2 4.49Å; E577-F579 HydrophobicContact CB-CZ 4.02Å; E577-Y588 HydrophobicContact CG-CD2 4.27Å; E577-Y588 HydrophobicContact CG-CE2 3.68Å
578E86.4Confident87.4Confident178 Ų17869.6 Ų69.683%0.83237%0.373SS*.  trans-95.3124.8172.7-72.5-17316900110.6
579F90.3Very high87.4Confident23 Ų2370 Ų7010%0.10138%0.375CS..  trans-102.3120178.7-59.4-67.9000110.8L568 L571 E577 D584 V585 Y588 F775 F787L568-F579 HydrophobicContact CD1-CB 3.97Å; L568-F579 HydrophobicContact CD1-CD2 4.01Å; L568-F579 HydrophobicContact CD1-CG 4.34Å; L571-F579 HydrophobicContact CB-CE2 4.4Å; E577-F579 HydrophobicContact CB-CE1 4.35Å; E577-F579 HydrophobicContact CB-CE2 4.49Å; E577-F579 HydrophobicContact CB-CZ 4.02Å; F579-D584 HydrophobicContact CD1-CB 3.94Å; F579-V585 HydrophobicContact CB-CG2 3.92Å; F579-V585 HydrophobicContact CD1-CG2 3.99Å; F579-V585 HydrophobicContact CD2-CG2 4.48Å; F579-V585 HydrophobicContact CG-CG2 3.86Å; F579-Y588 HydrophobicContact CE1-CD1 4.34Å; F579-Y588 HydrophobicContact CE1-CD2 4.33Å; F579-Y588 AromaticContact CE1-CG 3.86Å; F579-Y588 HydrophobicContact CE1-CG 3.86Å; F579-Y588 AromaticContact CZ-CD1 3.98Å; F579-Y588 HydrophobicContact CZ-CD1 3.98Å; F579-Y588 HydrophobicContact CZ-CD2 4.45Å; F579-Y588 AromaticContact CZ-CG 3.93Å; F579-Y588 HydrophobicContact CZ-CG 3.93Å; F579-F775 HydrophobicContact CE1-CE1 4.4Å; F579-F775 HydrophobicContact CE2-CE1 4.2Å; F579-F775 AromaticContact CE2-CZ 3.9Å; F579-F775 HydrophobicContact CE2-CZ 3.9Å; F579-F775 AromaticContact CZ-CE1 3.86Å; F579-F775 HydrophobicContact CZ-CE1 3.86Å; F579-F775 AromaticContact CZ-CZ 3.61Å; F579-F775 HydrophobicContact CZ-CZ 3.61Å; F579-F787 HydrophobicContact CB-CE1 4.42Å; F579-F787 HydrophobicContact CB-CZ 4.32Å
580T88.7Confident87.6Confident114 Ų11471.7 Ų71.770%0.69938%0.38SS*.  trans-102.7-21.5-17965.30000113.4D584 F787T580-D584 WeakPolarHBondContact CA-OD2 3.44Å; T580-D584 PolarHBondContact N-OD2 3.5Å; T580-D584 PolarHBondContact OG1-OD2 3.19Å; T580-F787 WeakPolarHBondContact O-CD1 3.41Å
581S90.7Very high87.9Confident31 Ų3170.2 Ų70.222%0.21737%0.373CS..SBendtrans-140.7161.5-178.293.10000113.1Q583 D584 V585 F787S581-Q583 PolarHBondContact O-N 2.74Å; S581-Q583 WeakPolarHBondContact OG-CB 3.47Å; S581-Q583 PolarHBondContact OG-N 2.83Å; S581-Q583 VanDerWaalsContact OG-N 3.13Å; S581-D584 PolarHBondContact N-OD2 3.36Å; S581-D584 WeakPolarHBondContact O-CB 3.39Å; S581-D584 PolarHBondContact O-N 2.98Å; S581-D584 VanDerWaalsContact OG-CG 3.3Å; S581-D584 PolarHBondContact OG-N 3.3Å; S581-D584 PolarHBondContact OG-OD1 3.01Å; S581-V585 PolarHBondContact O-N 2.79Å; S581-F787 VanDerWaalsContact C-CE1 3.42Å; S581-F787 VanDerWaalsContact C-CZ 3.42Å; S581-F787 VanDerWaalsContact O-CZ 3.24Å; S581-F787 WeakPolarHBondContact O-CZ 2.84Å
582S89.2Confident88Confident53 Ų5370.1 Ų70.137%0.37137%0.373SS..Hα-helixtrans-60.3-27.1172.560.70000113.2T586 F787S582-T586 WeakPolarHBondContact O-CG2 3.38Å; S582-T586 PolarHBondContact O-N 2.66Å; S582-T586 PolarHBondContact O-OG1 3.44Å; S582-F787 VanDerWaalsContact CA-CE2 3.46Å
583Q90.3Very high88.1Confident127 Ų12771.2 Ų71.259%0.59338%0.376SS*.Hα-helixtrans-68.8-44.3177.7-66.4175.4-10.400109.9S581 V585 T586 E587S581-Q583 PolarHBondContact O-N 2.74Å; S581-Q583 WeakPolarHBondContact OG-CB 3.47Å; S581-Q583 PolarHBondContact OG-N 2.83Å; S581-Q583 VanDerWaalsContact OG-N 3.13Å; Q583-V585 VanDerWaalsContact C-N 3.28Å; Q583-V585 PolarHBondContact O-N 3.23Å; Q583-T586 WeakPolarHBondContact CA-OG1 3.44Å; Q583-T586 CarbonylContact O-C 3.37Å; Q583-T586 PolarHBondContact O-N 2.93Å; Q583-T586 PolarHBondContact O-OG1 3.08Å; Q583-E587 WeakPolarHBondContact O-CB 3.38Å; Q583-E587 WeakPolarHBondContact O-CG 3.16Å; Q583-E587 PolarHBondContact O-N 3.41Å
584D91.5Very high88.5Confident44 Ų4468.8 Ų68.824%0.23537%0.365CS..Hα-helixtrans-55.3-43.2178.8-46.5-2.2000111.5F579 T580 S581 E587 Y588F579-D584 HydrophobicContact CD1-CB 3.94Å; T580-D584 WeakPolarHBondContact CA-OD2 3.44Å; T580-D584 PolarHBondContact N-OD2 3.5Å; T580-D584 PolarHBondContact OG1-OD2 3.19Å; S581-D584 PolarHBondContact N-OD2 3.36Å; S581-D584 WeakPolarHBondContact O-CB 3.39Å; S581-D584 PolarHBondContact O-N 2.98Å; S581-D584 VanDerWaalsContact OG-CG 3.3Å; S581-D584 PolarHBondContact OG-N 3.3Å; S581-D584 PolarHBondContact OG-OD1 3.01Å; D584-E587 PolarHBondContact O-N 2.88Å; D584-Y588 WeakPolarHBondContact O-CB 3.47Å; D584-Y588 PolarHBondContact O-N 3.1Å
585V89.9Confident88.9Confident0 Ų069.6 Ų69.60%036%0.363CS..Hα-helixtrans-66-43.1178.1177.50000111.3L568 F579 S581 Q583 L589 F775 F778 I779 L783 F787L568-V585 HydrophobicContact CD1-CG2 4.26Å; F579-V585 HydrophobicContact CB-CG2 3.92Å; F579-V585 HydrophobicContact CD1-CG2 3.99Å; F579-V585 HydrophobicContact CD2-CG2 4.48Å; F579-V585 HydrophobicContact CG-CG2 3.86Å; S581-V585 PolarHBondContact O-N 2.79Å; Q583-V585 VanDerWaalsContact C-N 3.28Å; Q583-V585 PolarHBondContact O-N 3.23Å; V585-L589 WeakPolarHBondContact O-CB 3.45Å; V585-L589 PolarHBondContact O-N 3.39Å; V585-F775 HydrophobicContact CG1-CD1 3.78Å; V585-F775 HydrophobicContact CG1-CE1 3.96Å; V585-F778 HydrophobicContact CG1-CD1 3.91Å; V585-F778 HydrophobicContact CG1-CE1 3.96Å; V585-F778 HydrophobicContact CG2-CE1 4.23Å; V585-I779 HydrophobicContact CG1-CG1 4.31Å; V585-L783 HydrophobicContact CB-CD1 4.37Å; V585-L783 HydrophobicContact CG1-CD1 4.4Å; V585-F787 HydrophobicContact CG2-CE2 3.89Å; V585-F787 HydrophobicContact CG2-CZ 3.5Å
586T89Confident89.1Confident50 Ų5069.5 Ų69.531%0.30736%0.36SS..Hα-helixtrans-70.2-36.417954.10000112.5S582 Q583 L589 Q590 I779 L783S582-T586 WeakPolarHBondContact O-CG2 3.38Å; S582-T586 PolarHBondContact O-N 2.66Å; S582-T586 PolarHBondContact O-OG1 3.44Å; Q583-T586 WeakPolarHBondContact CA-OG1 3.44Å; Q583-T586 CarbonylContact O-C 3.37Å; Q583-T586 PolarHBondContact O-N 2.93Å; Q583-T586 PolarHBondContact O-OG1 3.08Å; T586-L589 PolarHBondContact O-N 3.36Å; T586-Q590 WeakPolarHBondContact O-CG 3.36Å; T586-Q590 PolarHBondContact O-N 2.85Å; T586-I779 HydrophobicContact CG2-CD1 4.38Å; T586-L783 HydrophobicContact CG2-CD2 4.39Å
587E90.3Very high89.4Confident104 Ų10474.6 Ų74.649%0.48636%0.359SS..Hα-helixtrans-66.9-44.9175.1-74.1179.7-174.900110.8Q583 D584 L589 Q590 Q591Q583-E587 WeakPolarHBondContact O-CB 3.38Å; Q583-E587 WeakPolarHBondContact O-CG 3.16Å; Q583-E587 PolarHBondContact O-N 3.41Å; D584-E587 PolarHBondContact O-N 2.88Å; E587-L589 VanDerWaalsContact C-N 3.31Å; E587-L589 PolarHBondContact O-N 2.7Å; E587-Q590 WeakPolarHBondContact O-CB 3.47Å; E587-Q590 PolarHBondContact O-N 2.97Å; E587-Q590 VanDerWaalsContact O-N 3.11Å; E587-Q591 WeakPolarHBondContact O-CG 3.28Å; E587-Q591 PolarHBondContact O-N 3Å
588Y90.7Very high89.7Confident22 Ų2276.1 Ų76.19%0.08637%0.366CS..Hα-helixtrans-64.7-36.2175.9-165.8-95000112.2C575 E577 F579 D584 Q590 Q591 L592 F775C575-Y588 HydrophobicContact CB-CE1 3.89Å; C575-Y588 WeakPolarHBondContact CB-OH 2.99Å; E577-Y588 HydrophobicContact CG-CD2 4.27Å; E577-Y588 HydrophobicContact CG-CE2 3.68Å; F579-Y588 HydrophobicContact CE1-CD1 4.34Å; F579-Y588 HydrophobicContact CE1-CD2 4.33Å; F579-Y588 AromaticContact CE1-CG 3.86Å; F579-Y588 HydrophobicContact CE1-CG 3.86Å; F579-Y588 AromaticContact CZ-CD1 3.98Å; F579-Y588 HydrophobicContact CZ-CD1 3.98Å; F579-Y588 HydrophobicContact CZ-CD2 4.45Å; F579-Y588 AromaticContact CZ-CG 3.93Å; F579-Y588 HydrophobicContact CZ-CG 3.93Å; D584-Y588 WeakPolarHBondContact O-CB 3.47Å; D584-Y588 PolarHBondContact O-N 3.1Å; Y588-Q590 VanDerWaalsContact C-N 3.33Å; Y588-Q590 PolarHBondContact O-N 3.35Å; Y588-Q591 PolarHBondContact O-N 3.42Å; Y588-L592 HydrophobicContact CD1-CD1 3.58Å; Y588-L592 HydrophobicContact CD1-CG 3.85Å; Y588-L592 HydrophobicContact CE1-CD1 3.55Å; Y588-L592 HydrophobicContact CE1-CD2 4.06Å; Y588-L592 HydrophobicContact CE1-CG 3.64Å; Y588-L592 WeakPolarHBondContact O-CB 3.42Å; Y588-L592 WeakPolarHBondContact O-CG 3.35Å; Y588-L592 PolarHBondContact O-N 3.16Å; Y588-F775 AromaticContact CD1-CE1 3.81Å; Y588-F775 HydrophobicContact CD1-CE1 3.81Å; Y588-F775 AromaticContact CD1-CE2 3.89Å; Y588-F775 HydrophobicContact CD1-CE2 3.89Å; Y588-F775 AromaticContact CD1-CZ 3.35Å; Y588-F775 HydrophobicContact CD1-CZ 3.35Å; Y588-F775 AromaticContact CE1-CE2 3.99Å; Y588-F775 HydrophobicContact CE1-CE2 3.99Å; Y588-F775 AromaticContact CE1-CZ 3.79Å; Y588-F775 HydrophobicContact CE1-CZ 3.79Å; Y588-F775 HydrophobicContact CG-CZ 4.36Å
589L89.9Confident89.8Confident22 Ų2268.3 Ų68.312%0.11533%0.332CS..Hα-helixtrans-62.3-40.2171.9176.259.9000111.8V585 T586 E587 L592 L593 F775 I779V585-L589 WeakPolarHBondContact O-CB 3.45Å; V585-L589 PolarHBondContact O-N 3.39Å; T586-L589 PolarHBondContact O-N 3.36Å; E587-L589 VanDerWaalsContact C-N 3.31Å; E587-L589 PolarHBondContact O-N 2.7Å; L589-L592 PolarHBondContact O-N 3.35Å; L589-L593 HydrophobicContact CD1-CD1 4.42Å; L589-L593 HydrophobicContact CD1-CG 4.28Å; L589-L593 HydrophobicContact CG-CD1 4.24Å; L589-L593 WeakPolarHBondContact O-CG 3.44Å; L589-L593 PolarHBondContact O-N 2.88Å; L589-F775 HydrophobicContact CB-CD1 4.46Å; L589-F775 HydrophobicContact CD1-CB 3.95Å; L589-I779 HydrophobicContact CD2-CD1 3.31Å
590Q90.1Very high89.7Confident120 Ų12069.2 Ų69.256%0.56134%0.337SS*.Hα-helixtrans-62.7-44.7174.7-72174.46.900111.2T586 E587 Y588 L592 L593 E594T586-Q590 WeakPolarHBondContact O-CG 3.36Å; T586-Q590 PolarHBondContact O-N 2.85Å; E587-Q590 WeakPolarHBondContact O-CB 3.47Å; E587-Q590 PolarHBondContact O-N 2.97Å; E587-Q590 VanDerWaalsContact O-N 3.11Å; Y588-Q590 VanDerWaalsContact C-N 3.33Å; Y588-Q590 PolarHBondContact O-N 3.35Å; Q590-L592 VanDerWaalsContact C-N 3.33Å; Q590-L592 PolarHBondContact O-N 2.9Å; Q590-L593 WeakPolarHBondContact O-CB 3.26Å; Q590-L593 PolarHBondContact O-N 3.46Å; Q590-E594 WeakPolarHBondContact O-CG 3.34Å; Q590-E594 PolarHBondContact O-N 2.84Å
591Q90.6Very high89.8Confident83 Ų8367.6 Ų67.639%0.38833%0.328SS..Hα-helixtrans-61.1-40174.4-66.4175.417.800112.3E587 Y588 E594 R595E587-Q591 WeakPolarHBondContact O-CG 3.28Å; E587-Q591 PolarHBondContact O-N 3Å; Y588-Q591 PolarHBondContact O-N 3.42Å; Q591-E594 PolarHBondContact O-N 3.5Å; Q591-R595 WeakPolarHBondContact O-CB 3.24Å; Q591-R595 VanDerWaalsContact O-CG 3.3Å; Q591-R595 WeakPolarHBondContact O-CG 3.5Å; Q591-R595 PolarHBondContact O-N 2.83Å
592L88.9Confident89.8Confident4 Ų469.4 Ų69.42%0.02133%0.333CS..Hα-helixtrans-62.8-41.5174.4-82.5170.6000111.8Y588 L589 Q590 R595 E596 T768 L771 F775Y588-L592 HydrophobicContact CD1-CD1 3.58Å; Y588-L592 HydrophobicContact CD1-CG 3.85Å; Y588-L592 HydrophobicContact CE1-CD1 3.55Å; Y588-L592 HydrophobicContact CE1-CD2 4.06Å; Y588-L592 HydrophobicContact CE1-CG 3.64Å; Y588-L592 WeakPolarHBondContact O-CB 3.42Å; Y588-L592 WeakPolarHBondContact O-CG 3.35Å; Y588-L592 PolarHBondContact O-N 3.16Å; L589-L592 PolarHBondContact O-N 3.35Å; Q590-L592 VanDerWaalsContact C-N 3.33Å; Q590-L592 PolarHBondContact O-N 2.9Å; L592-R595 PolarHBondContact O-N 2.99Å; L592-E596 VanDerWaalsContact O-CB 3.28Å; L592-E596 WeakPolarHBondContact O-CB 3.32Å; L592-E596 PolarHBondContact O-N 3.07Å; L592-T768 HydrophobicContact CD2-CG2 4.04Å; L592-L771 HydrophobicContact CD1-CB 4.45Å; L592-L771 HydrophobicContact CD2-CB 4.37Å; L592-L771 HydrophobicContact CD2-CD1 4.39Å; L592-F775 HydrophobicContact CD1-CD2 3.46Å; L592-F775 VanDerWaalsContact CD1-CD2 3.46Å; L592-F775 HydrophobicContact CD1-CE2 3.56Å; L592-F775 HydrophobicContact CD1-CG 4.07Å; L592-F775 HydrophobicContact CD1-CZ 4.22Å
593L89.6Confident89.9Confident53 Ų5369.6 Ų69.628%0.27733%0.325SS..Hα-helixtrans-66.8-37.9176.7-75.3169000112.1L589 Q590 R597 H772L589-L593 HydrophobicContact CD1-CD1 4.42Å; L589-L593 HydrophobicContact CD1-CG 4.28Å; L589-L593 HydrophobicContact CG-CD1 4.24Å; L589-L593 WeakPolarHBondContact O-CG 3.44Å; L589-L593 PolarHBondContact O-N 2.88Å; Q590-L593 WeakPolarHBondContact O-CB 3.26Å; Q590-L593 PolarHBondContact O-N 3.46Å; L593-R597 WeakPolarHBondContact O-CB 3.4Å; L593-R597 VanDerWaalsContact O-CG 3.25Å; L593-R597 WeakPolarHBondContact O-CG 3.18Å; L593-R597 PolarHBondContact O-N 3.41Å; L593-H772 WeakPolarHBondContact CD2-CE1 3.49Å
594E90.7Very high89.9Confident115 Ų11567.3 Ų67.354%0.53732%0.317SS..Hα-helixtrans-64-49.7173.2-73.3175.4174.200110.7Q590 Q591 E596 R597 E598Q590-E594 WeakPolarHBondContact O-CG 3.34Å; Q590-E594 PolarHBondContact O-N 2.84Å; Q591-E594 PolarHBondContact O-N 3.5Å; E594-E596 VanDerWaalsContact C-N 3.33Å; E594-E596 PolarHBondContact O-N 3.3Å; E594-R597 WeakPolarHBondContact O-CB 3.35Å; E594-R597 PolarHBondContact O-N 3.06Å; E594-R597 VanDerWaalsContact O-N 3.14Å; E594-E598 WeakPolarHBondContact O-CG 3.43Å; E594-E598 PolarHBondContact O-N 3.41Å
595R88.5Confident89.9Confident125 Ų12571.3 Ų71.347%0.47233%0.334SS..Hα-helixtrans-60-40.2174.7-72.6176.3-176.4170.34.3112.6Q591 L592 R597 E598 A599Q591-R595 WeakPolarHBondContact O-CB 3.24Å; Q591-R595 VanDerWaalsContact O-CG 3.3Å; Q591-R595 WeakPolarHBondContact O-CG 3.5Å; Q591-R595 PolarHBondContact O-N 2.83Å; L592-R595 PolarHBondContact O-N 2.99Å; R595-R597 VanDerWaalsContact C-N 3.34Å; R595-E598 PolarHBondContact O-N 3.21Å; R595-A599 VanDerWaalsContact O-CB 3.24Å; R595-A599 WeakPolarHBondContact O-CB 3.29Å; R595-A599 PolarHBondContact O-N 3.22Å
596E88.2Confident89.9Confident23 Ų2371.7 Ų71.711%0.10734%0.337CS..Hα-helixtrans-61-45.6175.6-172-174.1163.200110.2L592 E594 I600 T768 Q769 H772L592-E596 VanDerWaalsContact O-CB 3.28Å; L592-E596 WeakPolarHBondContact O-CB 3.32Å; L592-E596 PolarHBondContact O-N 3.07Å; E594-E596 VanDerWaalsContact C-N 3.33Å; E594-E596 PolarHBondContact O-N 3.3Å; E596-I600 HydrophobicContact CG-CD1 3.79Å; E596-I600 HydrophobicContact CG-CG1 4.45Å; E596-I600 VanDerWaalsContact O-CB 3.29Å; E596-I600 WeakPolarHBondContact O-CB 3.44Å; E596-I600 WeakPolarHBondContact O-CG1 3.47Å; E596-I600 PolarHBondContact O-N 2.79Å; E596-T768 HydrophobicContact CB-CG2 3.89Å; E596-T768 HydrophobicContact CG-CG2 4.49Å; E596-Q769 HydrophobicContact CG-CG 4.22Å; E596-Q769 WeakPolarHBondContact OE1-CG 3.5Å; E596-Q769 PolarHBondContact OE1-NE2 2.8Å; E596-H772 IonicContact OE2-CE1 3.97Å; E596-H772 IonicContact OE2-CG 3.43Å; E596-H772 IonicContact OE2-ND1 2.86Å; E596-H772 PolarHBondContact OE2-ND1 2.77Å
597R90Very high89.7Confident172 Ų17269.7 Ų69.765%0.64933%0.326SS*.Hα-helixtrans-64.2-46.1177.5-73.4171-177.8-1762.6112L593 E594 R595 I600 V601L593-R597 WeakPolarHBondContact O-CB 3.4Å; L593-R597 VanDerWaalsContact O-CG 3.25Å; L593-R597 WeakPolarHBondContact O-CG 3.18Å; L593-R597 PolarHBondContact O-N 3.41Å; E594-R597 WeakPolarHBondContact O-CB 3.35Å; E594-R597 PolarHBondContact O-N 3.06Å; E594-R597 VanDerWaalsContact O-N 3.14Å; R595-R597 VanDerWaalsContact C-N 3.34Å; R597-I600 PolarHBondContact O-N 3.37Å; R597-V601 VanDerWaalsContact O-CG2 3.29Å; R597-V601 WeakPolarHBondContact O-CG2 3.38Å; R597-V601 PolarHBondContact O-N 2.96Å
598E89.9Confident89.6Confident135 Ų13567.6 Ų67.663%0.63133%0.326SS*.Hα-helixtrans-59.4-48.8177.1-72.5176.2175.100111.1E594 R595 I600 V601 E602E594-E598 WeakPolarHBondContact O-CG 3.43Å; E594-E598 PolarHBondContact O-N 3.41Å; R595-E598 PolarHBondContact O-N 3.21Å; E598-I600 PolarHBondContact O-N 3.5Å; E598-V601 PolarHBondContact O-N 3.38Å; E598-E602 WeakPolarHBondContact O-CB 3.4Å; E598-E602 PolarHBondContact O-N 2.87Å
599A88.2Confident89.5Confident15 Ų1571.9 Ų71.912%0.12434%0.342CS..Hα-helixtrans-66-35.3178.700000112.6R595 R603 V765R595-A599 VanDerWaalsContact O-CB 3.24Å; R595-A599 WeakPolarHBondContact O-CB 3.29Å; R595-A599 PolarHBondContact O-N 3.22Å; A599-R603 WeakPolarHBondContact O-CB 3.41Å; A599-R603 PolarHBondContact O-N 3.02Å; A599-V765 HydrophobicContact CB-CG2 3.67Å
600I88.7Confident89.3Confident41 Ų4172.9 Ų72.921%0.2135%0.346CS..Hα-helixtrans-65.1-47.6173.3-76.7170.1000110.7E596 R597 E598 R603 D604 V765E596-I600 HydrophobicContact CG-CD1 3.79Å; E596-I600 HydrophobicContact CG-CG1 4.45Å; E596-I600 VanDerWaalsContact O-CB 3.29Å; E596-I600 WeakPolarHBondContact O-CB 3.44Å; E596-I600 WeakPolarHBondContact O-CG1 3.47Å; E596-I600 PolarHBondContact O-N 2.79Å; R597-I600 PolarHBondContact O-N 3.37Å; E598-I600 PolarHBondContact O-N 3.5Å; I600-R603 PolarHBondContact O-N 3.28Å; I600-D604 WeakPolarHBondContact O-CB 3.34Å; I600-D604 PolarHBondContact O-N 3.3Å; I600-V765 HydrophobicContact CD1-CG1 4.36Å; I600-V765 HydrophobicContact CG1-CG1 3.79Å; I600-V765 HydrophobicContact CG1-CG2 4.02Å
601V91.8Very high88.9Confident81 Ų8171.8 Ų71.849%0.49134%0.344SS..Hα-helixtrans-61.3-47178.3170.80000110R597 E598 R603 D604 E605R597-V601 VanDerWaalsContact O-CG2 3.29Å; R597-V601 WeakPolarHBondContact O-CG2 3.38Å; R597-V601 PolarHBondContact O-N 2.96Å; E598-V601 PolarHBondContact O-N 3.38Å; V601-R603 PolarHBondContact O-N 3.17Å; V601-D604 PolarHBondContact O-N 3.48Å; V601-E605 HydrophobicContact CG1-CG 4.37Å; V601-E605 WeakPolarHBondContact O-CB 3.45Å; V601-E605 WeakPolarHBondContact O-CG 3.39Å; V601-E605 PolarHBondContact O-N 3.31Å
602E90.6Very high88.6Confident69 Ų6969.6 Ų69.632%0.32234%0.34SS..Hα-helixtrans-62.6-43.7177.9-167.1-174.4165.400111.6E598 D604 E605 V606 R757 L761E598-E602 WeakPolarHBondContact O-CB 3.4Å; E598-E602 PolarHBondContact O-N 2.87Å; E602-D604 VanDerWaalsContact C-N 3.31Å; E602-D604 PolarHBondContact O-N 2.89Å; E602-E605 PolarHBondContact O-N 3.12Å; E602-V606 WeakPolarHBondContact O-CB 3.24Å; E602-V606 VanDerWaalsContact O-CG2 3.26Å; E602-V606 WeakPolarHBondContact O-CG2 3.43Å; E602-V606 PolarHBondContact O-N 3.39Å; E602-R757 IonicContact OE1-CZ 3.43Å; E602-R757 IonicContact OE1-NE 3.15Å; E602-R757 PolarHBondContact OE1-NE 3.2Å; E602-R757 IonicContact OE1-NH2 3.56Å; E602-R757 PolarHBondContact OE1-NH2 3.4Å; E602-L761 HydrophobicContact CB-CD1 4.28Å; E602-L761 HydrophobicContact CG-CD1 3.78Å; E602-L761 HydrophobicContact CG-CD2 4.35Å
603R90.4Very high88.5Confident56 Ų5669.4 Ų69.421%0.21134%0.339CS..Hα-helixtrans-58.4-45174.4-179.3-153.364.7-160.5-4.6110.8A599 I600 V601 V606 G607 F758 L761A599-R603 WeakPolarHBondContact O-CB 3.41Å; A599-R603 PolarHBondContact O-N 3.02Å; I600-R603 PolarHBondContact O-N 3.28Å; V601-R603 PolarHBondContact O-N 3.17Å; R603-V606 PolarHBondContact O-N 3.05Å; R603-G607 PolarHBondContact O-N 3.47Å; R603-F758 HydrophobicContact CG-CD2 3.88Å; R603-F758 HydrophobicContact CG-CE2 3.56Å; R603-F758 HydrophobicContact CG-CZ 4.11Å; R603-F758 WeakPolarHBondContact O-CD2 3.44Å; R603-F758 WeakPolarHBondContact O-CE2 3.33Å; R603-L761 HydrophobicContact CB-CB 4.04Å; R603-L761 HydrophobicContact CG-CB 4.38Å
604D89.8Confident88Confident79 Ų7969.3 Ų69.342%0.42234%0.338SS..Hα-helixtrans-71.1-36.3-177.6-69.6-12.4000111.7I600 V601 E602 G607 A608I600-D604 WeakPolarHBondContact O-CB 3.34Å; I600-D604 PolarHBondContact O-N 3.3Å; V601-D604 PolarHBondContact O-N 3.48Å; E602-D604 VanDerWaalsContact C-N 3.31Å; E602-D604 PolarHBondContact O-N 2.89Å; D604-G607 PolarHBondContact O-N 2.97Å; D604-A608 VanDerWaalsContact O-CB 3.25Å; D604-A608 WeakPolarHBondContact O-CB 3.39Å; D604-A608 PolarHBondContact O-N 3.49Å
605E91.6Very high87.4Confident128 Ų12868.8 Ų68.860%0.59834%0.336SS*.Hα-helixtrans-64.3-45.8171.4-75.1180176.400111.8V601 E602 G607 A608 R609V601-E605 HydrophobicContact CG1-CG 4.37Å; V601-E605 WeakPolarHBondContact O-CB 3.45Å; V601-E605 WeakPolarHBondContact O-CG 3.39Å; V601-E605 PolarHBondContact O-N 3.31Å; E602-E605 PolarHBondContact O-N 3.12Å; E605-G607 VanDerWaalsContact C-N 3.33Å; E605-A608 PolarHBondContact O-N 3.49Å; E605-R609 WeakPolarHBondContact O-CB 3.36Å; E605-R609 PolarHBondContact O-N 2.99Å
606V90.2Very high86.9Confident9 Ų964.8 Ų64.86%0.05532%0.323CS..Hα-helixtrans-64-40.1175.1172.20000110.7E602 R603 R609 K610 L754 R757 F758 L761E602-V606 WeakPolarHBondContact O-CB 3.24Å; E602-V606 VanDerWaalsContact O-CG2 3.26Å; E602-V606 WeakPolarHBondContact O-CG2 3.43Å; E602-V606 PolarHBondContact O-N 3.39Å; R603-V606 PolarHBondContact O-N 3.05Å; V606-R609 PolarHBondContact O-N 2.92Å; V606-K610 VanDerWaalsContact O-CB 3.29Å; V606-K610 WeakPolarHBondContact O-CB 3.41Å; V606-K610 PolarHBondContact O-N 3Å; V606-L754 HydrophobicContact CG1-CB 4.4Å; V606-L754 HydrophobicContact CG1-CD2 4.03Å; V606-L754 WeakPolarHBondContact CG1-O 3.46Å; V606-R757 HydrophobicContact CG1-CB 4.35Å; V606-R757 HydrophobicContact CG1-CG 4.45Å; V606-R757 HydrophobicContact CG2-CG 4.34Å; V606-F758 HydrophobicContact CG1-CB 3.97Å; V606-L761 HydrophobicContact CB-CD1 4.37Å; V606-L761 HydrophobicContact CG2-CD1 3.91Å
607G85.6Confident86.4Confident8 Ų864.3 Ų64.38%0.08232%0.321CS..Hα-helixtrans-64.1-45.6175.400000112.4R603 D604 E605 R609 K610 N611R603-G607 PolarHBondContact O-N 3.47Å; D604-G607 PolarHBondContact O-N 2.97Å; E605-G607 VanDerWaalsContact C-N 3.33Å; G607-R609 VanDerWaalsContact C-N 3.34Å; G607-R609 PolarHBondContact O-N 3.22Å; G607-K610 PolarHBondContact O-N 3.38Å; G607-N611 WeakPolarHBondContact O-CB 3.36Å; G607-N611 PolarHBondContact O-N 3.36Å; G607-N611 PolarHBondContact O-ND2 3.17Å; G607-N611 PolarHBondContact O-OD1 2.83Å
608A87.3Confident85.4Confident59 Ų5962.4 Ų62.449%0.48832%0.319SS..Hα-helixtrans-63.1-4117500000111.5D604 E605 N611 A612D604-A608 VanDerWaalsContact O-CB 3.25Å; D604-A608 WeakPolarHBondContact O-CB 3.39Å; D604-A608 PolarHBondContact O-N 3.49Å; E605-A608 PolarHBondContact O-N 3.49Å; A608-N611 PolarHBondContact O-N 2.85Å; A608-A612 WeakPolarHBondContact O-CB 3.45Å; A608-A612 PolarHBondContact O-N 2.91Å
609R89.4Confident84.5Confident112 Ų11261.9 Ų61.942%0.42331%0.312SS..Hα-helixtrans-65.2-43.4175.6-176.362.6-173.5167.76.9111.7E605 V606 G607 N611 A612 V613 E750 L754E605-R609 WeakPolarHBondContact O-CB 3.36Å; E605-R609 PolarHBondContact O-N 2.99Å; V606-R609 PolarHBondContact O-N 2.92Å; G607-R609 VanDerWaalsContact C-N 3.34Å; G607-R609 PolarHBondContact O-N 3.22Å; R609-N611 VanDerWaalsContact C-N 3.34Å; R609-N611 PolarHBondContact O-N 3.3Å; R609-A612 PolarHBondContact O-N 2.86Å; R609-V613 WeakPolarHBondContact O-CG2 3.35Å; R609-V613 PolarHBondContact O-N 3.43Å; R609-E750 IonicContact CZ-OE1 3.6Å; R609-E750 IonicContact NE-OE1 3.52Å; R609-E750 PolarHBondContact NE-OE1 3.38Å; R609-E750 VanDerWaalsContact NE-OE1 3.14Å; R609-E750 IonicContact NH2-OE1 2.95Å; R609-E750 PolarHBondContact NH2-OE1 3.04Å; R609-E750 IonicContact NH2-OE2 2.74Å; R609-L754 HydrophobicContact CB-CD1 4.36Å; R609-L754 HydrophobicContact CB-CD2 4.48Å; R609-L754 HydrophobicContact CG-CD1 3.73Å; R609-L754 HydrophobicContact CG-CD2 4.14Å
610K86.2Confident83.6Confident44 Ų4462.4 Ų62.419%0.19131%0.312CS..Hα-helixtrans-57.8-47.9174.2179.4-171.6163-175.10110.6V606 G607 A612 V613 D614 R751 L754V606-K610 VanDerWaalsContact O-CB 3.29Å; V606-K610 WeakPolarHBondContact O-CB 3.41Å; V606-K610 PolarHBondContact O-N 3Å; G607-K610 PolarHBondContact O-N 3.38Å; K610-A612 VanDerWaalsContact C-N 3.35Å; K610-A612 PolarHBondContact O-N 3.14Å; K610-V613 WeakPolarHBondContact O-CB 3.37Å; K610-V613 PolarHBondContact O-N 2.78Å; K610-D614 PolarHBondContact O-N 2.84Å; K610-R751 HydrophobicContact CG-CG 4.21Å; K610-L754 HydrophobicContact CB-CB 4.19Å; K610-L754 HydrophobicContact CB-CD1 4.46Å
611N81.5Confident82.7Confident96 Ų9663.9 Ų63.951%0.51333%0.326SS..Hα-helixtrans-61.5-42.5177.5-66.8-15.3000111.6G607 A608 R609 V613 D614 E615G607-N611 WeakPolarHBondContact O-CB 3.36Å; G607-N611 PolarHBondContact O-N 3.36Å; G607-N611 PolarHBondContact O-ND2 3.17Å; G607-N611 PolarHBondContact O-OD1 2.83Å; A608-N611 PolarHBondContact O-N 2.85Å; R609-N611 VanDerWaalsContact C-N 3.34Å; R609-N611 PolarHBondContact O-N 3.3Å; N611-V613 VanDerWaalsContact C-N 3.32Å; N611-V613 PolarHBondContact O-N 3.14Å; N611-D614 PolarHBondContact O-N 3.44Å; N611-E615 WeakPolarHBondContact O-CG 3.23Å; N611-E615 PolarHBondContact O-N 3.3Å
612A84.4Confident81.4Confident37 Ų3762.4 Ų62.431%0.30631%0.314SS..Hα-helixtrans-62.5-37.6176.300000112.8A608 R609 K610 E616A608-A612 WeakPolarHBondContact O-CB 3.45Å; A608-A612 PolarHBondContact O-N 2.91Å; R609-A612 PolarHBondContact O-N 2.86Å; K610-A612 VanDerWaalsContact C-N 3.35Å; K610-A612 PolarHBondContact O-N 3.14Å; A612-E616 WeakPolarHBondContact O-CB 3.45Å; A612-E616 PolarHBondContact O-N 3.29Å
613V85.5Confident79.9Confident0 Ų062.6 Ų62.60%032%0.321CS..Hα-helixtrans-67.5-43173.7167.70000111R609 K610 N611 E616 I617 L747 E750 R751 L754R609-V613 WeakPolarHBondContact O-CG2 3.35Å; R609-V613 PolarHBondContact O-N 3.43Å; K610-V613 WeakPolarHBondContact O-CB 3.37Å; K610-V613 PolarHBondContact O-N 2.78Å; N611-V613 VanDerWaalsContact C-N 3.32Å; N611-V613 PolarHBondContact O-N 3.14Å; V613-E616 PolarHBondContact O-N 3.01Å; V613-E616 VanDerWaalsContact O-N 3.15Å; V613-I617 HydrophobicContact CG1-CD1 3.92Å; V613-I617 HydrophobicContact CG1-CG1 4.48Å; V613-I617 WeakPolarHBondContact O-CG1 3.41Å; V613-I617 PolarHBondContact O-N 3.13Å; V613-L747 HydrophobicContact CG1-CB 4.11Å; V613-L747 HydrophobicContact CG1-CD2 4.06Å; V613-L747 WeakPolarHBondContact CG1-O 3.42Å; V613-L747 HydrophobicContact CG2-CD2 4.42Å; V613-E750 HydrophobicContact CG2-CG 4.35Å; V613-R751 HydrophobicContact CG1-CB 3.86Å; V613-L754 HydrophobicContact CG2-CD1 4.04Å
614D80.6Confident78.4Confident51 Ų5160.2 Ų60.227%0.27331%0.314SS..Hα-helixtrans-61-43.4175.4-83.8-42.4000111.5K610 N611 E616 I617 E618 R751K610-D614 PolarHBondContact O-N 2.84Å; N611-D614 PolarHBondContact O-N 3.44Å; D614-E616 VanDerWaalsContact C-N 3.33Å; D614-E616 PolarHBondContact O-N 3.32Å; D614-I617 PolarHBondContact O-N 3.1Å; D614-E618 WeakPolarHBondContact O-CB 3.42Å; D614-E618 PolarHBondContact O-N 3.33Å; D614-R751 WeakPolarHBondContact OD1-CD 3.4Å; D614-R751 IonicContact OD1-NE 3.77Å; D614-R751 IonicContact OD1-NH1 3.17Å; D614-R751 PolarHBondContact OD1-NH1 2.99Å
615E76.7Confident77Confident105 Ų10557.1 Ų57.149%0.49130%0.301SS..Hα-helixtrans-63.6-36.9172.9-67.9178.4-175.600112.2N611 E618 R619N611-E615 WeakPolarHBondContact O-CG 3.23Å; N611-E615 PolarHBondContact O-N 3.3Å; E615-E618 PolarHBondContact O-N 3.34Å; E615-R619 VanDerWaalsContact CB-NH1 3.33Å; E615-R619 WeakPolarHBondContact O-CB 3.26Å; E615-R619 WeakPolarHBondContact O-CG 3.46Å; E615-R619 PolarHBondContact O-N 2.93Å; E615-R619 PolarHBondContact O-NE 3.4Å; E615-R619 IonicContact OE2-NH1 2.74Å; E615-R619 PolarHBondContact OE2-NH1 2.88Å
616E79.5Confident75.7Confident40 Ų4051.2 Ų51.219%0.18727%0.274CS..Hα-helixtrans-66.9-41.4176.9-164.4-179.815400111.6A612 V613 D614 R619 L620 R743 L747A612-E616 WeakPolarHBondContact O-CB 3.45Å; A612-E616 PolarHBondContact O-N 3.29Å; V613-E616 PolarHBondContact O-N 3.01Å; V613-E616 VanDerWaalsContact O-N 3.15Å; D614-E616 VanDerWaalsContact C-N 3.33Å; D614-E616 PolarHBondContact O-N 3.32Å; E616-R619 PolarHBondContact O-N 3.29Å; E616-L620 HydrophobicContact CG-CD1 4.3Å; E616-L620 WeakPolarHBondContact O-CB 3.18Å; E616-L620 WeakPolarHBondContact O-CG 3.31Å; E616-L620 PolarHBondContact O-N 3.11Å; E616-R743 IonicContact OE1-CZ 2.86Å; E616-R743 IonicContact OE1-NE 2.7Å; E616-R743 PolarHBondContact OE1-NE 3.42Å; E616-R743 IonicContact OE1-NH2 2.75Å; E616-R743 PolarHBondContact OE1-NH2 3.17Å; E616-R743 IonicContact OE2-NH2 2.72Å; E616-L747 HydrophobicContact CB-CD1 4.06Å; E616-L747 HydrophobicContact CG-CD1 3.73Å
617I77Confident74.5Confident13 Ų1359.3 Ų59.37%0.06731%0.311CS..Hα-helixtrans-59.9-48172.6-69.7162.8000109.8V613 D614 R619 L620 S621 I744 L747 R751V613-I617 HydrophobicContact CG1-CD1 3.92Å; V613-I617 HydrophobicContact CG1-CG1 4.48Å; V613-I617 WeakPolarHBondContact O-CG1 3.41Å; V613-I617 PolarHBondContact O-N 3.13Å; D614-I617 PolarHBondContact O-N 3.1Å; I617-R619 VanDerWaalsContact C-N 3.35Å; I617-R619 PolarHBondContact O-N 3.33Å; I617-L620 PolarHBondContact O-N 3.43Å; I617-S621 VanDerWaalsContact O-CB 3.24Å; I617-S621 WeakPolarHBondContact O-CB 3.42Å; I617-S621 PolarHBondContact O-N 2.72Å; I617-S621 PolarHBondContact O-OG 2.89Å; I617-I744 HydrophobicContact CG2-CG2 4.4Å; I617-L747 HydrophobicContact CD1-CB 3.96Å; I617-L747 HydrophobicContact CG1-CB 3.57Å; I617-L747 HydrophobicContact CG1-CD1 4.05Å; I617-L747 HydrophobicContact CG1-CG 4.45Å; I617-R751 HydrophobicContact CD1-CB 4.49Å
618E69.7Low73.8Confident133 Ų13360.6 Ų60.662%0.62132%0.316SS*.Hα-helixtrans-60.9-44.8179.5-171.1174.8-174.800111.1D614 E615 S621 Q622D614-E618 WeakPolarHBondContact O-CB 3.42Å; D614-E618 PolarHBondContact O-N 3.33Å; E615-E618 PolarHBondContact O-N 3.34Å; E618-S621 PolarHBondContact O-N 3.29Å; E618-Q622 WeakPolarHBondContact O-CG 3.39Å; E618-Q622 PolarHBondContact O-N 3.49Å
619R70.2Confident73Confident124 Ų12463.6 Ų63.647%0.46832%0.32SS..Hα-helixtrans-58.3-51.5175.6-76.1-176.5-65.6-102.3-0.1112.3E615 E616 I617 S621 Q622E615-R619 VanDerWaalsContact CB-NH1 3.33Å; E615-R619 WeakPolarHBondContact O-CB 3.26Å; E615-R619 WeakPolarHBondContact O-CG 3.46Å; E615-R619 PolarHBondContact O-N 2.93Å; E615-R619 PolarHBondContact O-NE 3.4Å; E615-R619 IonicContact OE2-NH1 2.74Å; E615-R619 PolarHBondContact OE2-NH1 2.88Å; E616-R619 PolarHBondContact O-N 3.29Å; I617-R619 VanDerWaalsContact C-N 3.35Å; I617-R619 PolarHBondContact O-N 3.33Å; R619-S621 VanDerWaalsContact C-N 3.27Å; R619-S621 PolarHBondContact O-N 2.82Å; R619-Q622 WeakPolarHBondContact O-CB 3.36Å; R619-Q622 PolarHBondContact O-N 2.99Å
620L70Confident72.5Confident25 Ų2562.2 Ų62.213%0.13132%0.315CS..Hα-helixtrans-68.6-26.2-178.4-71.6172.3000113.3E616 I617 Q622 V732 R743 I744 L747E616-L620 HydrophobicContact CG-CD1 4.3Å; E616-L620 WeakPolarHBondContact O-CB 3.18Å; E616-L620 WeakPolarHBondContact O-CG 3.31Å; E616-L620 PolarHBondContact O-N 3.11Å; I617-L620 PolarHBondContact O-N 3.43Å; L620-Q622 VanDerWaalsContact C-N 3.26Å; L620-Q622 PolarHBondContact O-N 3.21Å; L620-V732 HydrophobicContact CD2-CG1 4.4Å; L620-R743 HydrophobicContact CD1-CB 4.17Å; L620-R743 HydrophobicContact CD1-CG 3.51Å; L620-I744 HydrophobicContact CB-CD1 3.87Å; L620-I744 HydrophobicContact CB-CG1 3.72Å; L620-I744 HydrophobicContact CD1-CG1 4.25Å; L620-L747 HydrophobicContact CD1-CD1 3.69Å
621S69.7Low72.3Confident73 Ų7360.6 Ų60.651%0.5131%0.308SS..Hα-helixtrans-74.8-13.7177.4-60.70000113.2I617 E618 R619I617-S621 VanDerWaalsContact O-CB 3.24Å; I617-S621 WeakPolarHBondContact O-CB 3.42Å; I617-S621 PolarHBondContact O-N 2.72Å; I617-S621 PolarHBondContact O-OG 2.89Å; E618-S621 PolarHBondContact O-N 3.29Å; R619-S621 VanDerWaalsContact C-N 3.27Å; R619-S621 PolarHBondContact O-N 2.82Å
622Q63.8Low72Confident49 Ų4958.1 Ų58.123%0.22930%0.295CS..SBendtrans-67.6143.3178.4-65.6-174.715.600111.7E618 R619 L620 G624 G625E618-Q622 WeakPolarHBondContact O-CG 3.39Å; E618-Q622 PolarHBondContact O-N 3.49Å; R619-Q622 WeakPolarHBondContact O-CB 3.36Å; R619-Q622 PolarHBondContact O-N 2.99Å; L620-Q622 VanDerWaalsContact C-N 3.26Å; L620-Q622 PolarHBondContact O-N 3.21Å; Q622-G624 PolarHBondContact O-N 3.39Å; Q622-G625 PolarHBondContact O-N 2.88Å
623P58.1Low71.7Confident74 Ų7459.2 Ų59.248%0.48130%0.304SS..G310 helixtrans-56.5130.2175.8-20.431.3000111.5G625 N632P623-G625 PolarHBondContact O-N 2.98Å; P623-N632 PolarHBondContact O-ND2 3.27Å
624G60.1Low71.7Confident6 Ų659.6 Ų59.66%0.06231%0.306CS..G310 helixtrans79.2-8.6179.700000115.9Q622 S626 S644Q622-G624 PolarHBondContact O-N 3.39Å; G624-S626 PolarHBondContact O-N 3.29Å; G624-S644 WeakPolarHBondContact O-CB 2.94Å; G624-S644 PolarHBondContact O-OG 2.84Å
625G60.3Low71.8Confident14 Ų1457.4 Ų57.414%0.14430%0.295CS..G310 helixtrans63.26.918000000115Q622 P623 L734Q622-G625 PolarHBondContact O-N 2.88Å; P623-G625 PolarHBondContact O-N 2.98Å; G625-L734 VanDerWaalsContact C-CD1 3.46Å; G625-L734 WeakPolarHBondContact O-CD1 3.43Å
626S63.8Low71.8Confident4 Ų458.7 Ų58.73%0.02830%0.301CS..  trans-69.5134.8-176.164.60000111G624 D628G624-S626 PolarHBondContact O-N 3.29Å; S626-D628 PolarHBondContact O-N 3Å; S626-D628 PolarHBondContact OG-O 3.41Å
627E64.8Low71.8Confident179 Ų17962.4 Ų62.484%0.83631%0.313SS*.SBendtrans-61.3-25.6174.3-65.6-176.3164.300112.6
628D72.1Confident72.2Confident35 Ų3562.7 Ų62.719%0.18731%0.314CS..  trans-114.9107.4-173.5-165.2-16.5000112S626 R630 L631S626-D628 PolarHBondContact O-N 3Å; S626-D628 PolarHBondContact OG-O 3.41Å; D628-R630 VanDerWaalsContact CG-NE 3.28Å; D628-R630 PolarHBondContact O-N 3.25Å; D628-R630 WeakPolarHBondContact OD1-CB 3.44Å; D628-R630 WeakPolarHBondContact OD1-CG 3.36Å; D628-R630 IonicContact OD1-CZ 3.79Å; D628-R630 PolarHBondContact OD1-N 3.07Å; D628-R630 IonicContact OD1-NE 3.45Å; D628-R630 PolarHBondContact OD1-NE 3.18Å; D628-R630 IonicContact OD1-NH2 3.16Å; D628-R630 IonicContact OD2-CZ 2.91Å; D628-R630 IonicContact OD2-NE 3.95Å; D628-R630 PolarHBondContact OD2-NE 2.88Å; D628-R630 IonicContact OD2-NH2 2.83Å; D628-R630 PolarHBondContact OD2-NH2 2.85Å; D628-L631 HydrophobicContact CB-CD1 4.17Å; D628-L631 HydrophobicContact CB-CG 4.24Å; D628-L631 WeakPolarHBondContact O-CB 3.43Å; D628-L631 PolarHBondContact O-N 3.23Å
629Q69.4Low72.6Confident122 Ų12259 Ų5957%0.5731%0.312SS*.THydrogen-bonded Turntrans-57.5-23.4178.8-69.6-177.75.200113.1L631 N632Q629-L631 PolarHBondContact O-N 2.86Å; Q629-N632 PolarHBondContact O-N 3.13Å
630R78.9Confident73.2Confident83 Ų8353.7 Ų53.731%0.31330%0.296SS..Hα-helixtrans-62.5-31.2178-59.8177.1-68.2172.51.6111.7D628 N632 A633 L634 D686 C687D628-R630 VanDerWaalsContact CG-NE 3.28Å; D628-R630 PolarHBondContact O-N 3.25Å; D628-R630 WeakPolarHBondContact OD1-CB 3.44Å; D628-R630 WeakPolarHBondContact OD1-CG 3.36Å; D628-R630 IonicContact OD1-CZ 3.79Å; D628-R630 PolarHBondContact OD1-N 3.07Å; D628-R630 IonicContact OD1-NE 3.45Å; D628-R630 PolarHBondContact OD1-NE 3.18Å; D628-R630 IonicContact OD1-NH2 3.16Å; D628-R630 IonicContact OD2-CZ 2.91Å; D628-R630 IonicContact OD2-NE 3.95Å; D628-R630 PolarHBondContact OD2-NE 2.88Å; D628-R630 IonicContact OD2-NH2 2.83Å; D628-R630 PolarHBondContact OD2-NH2 2.85Å; R630-N632 VanDerWaalsContact C-N 3.31Å; R630-N632 PolarHBondContact O-N 3.16Å; R630-A633 PolarHBondContact O-N 2.93Å; R630-L634 WeakPolarHBondContact O-CB 3.36Å; R630-L634 VanDerWaalsContact O-CG 3.24Å; R630-L634 WeakPolarHBondContact O-CG 3.45Å; R630-L634 PolarHBondContact O-N 3.1Å; R630-D686 VanDerWaalsContact CD-CG 3.43Å; R630-D686 WeakPolarHBondContact CD-OD1 3.33Å; R630-D686 IonicContact NE-OD1 3.93Å; R630-D686 IonicContact NH1-OD1 3.44Å; R630-D686 PolarHBondContact NH1-OD1 2.61Å; R630-C687 PolarHBondContact NH1-O 2.97Å; R630-C687 VanDerWaalsContact NH1-O 3.07Å
631L81.8Confident73.8Confident9 Ų954.5 Ų54.55%0.04730%0.301CS..Hα-helixtrans-61.7-36.6-179.6-72.7172.3000112.9D628 Q629 L634 A635 L642 H667 P688 L691D628-L631 HydrophobicContact CB-CD1 4.17Å; D628-L631 HydrophobicContact CB-CG 4.24Å; D628-L631 WeakPolarHBondContact O-CB 3.43Å; D628-L631 PolarHBondContact O-N 3.23Å; Q629-L631 PolarHBondContact O-N 2.86Å; L631-L634 PolarHBondContact O-N 2.74Å; L631-A635 WeakPolarHBondContact O-CB 3.41Å; L631-A635 PolarHBondContact O-N 2.89Å; L631-L642 HydrophobicContact CB-CD2 3.99Å; L631-H667 HydrophobicContact CD1-CB 3.9Å; L631-P688 HydrophobicContact CD2-CG 3.95Å; L631-L691 HydrophobicContact CD2-CD1 3.97Å
632N76.1Confident74.6Confident45 Ų4551.1 Ų51.124%0.24128%0.277CS..Hα-helixtrans-64.6-45.7174.9-78.5-37.1000111.3P623 Q629 R630 L634 A635 E636 L642P623-N632 PolarHBondContact O-ND2 3.27Å; Q629-N632 PolarHBondContact O-N 3.13Å; R630-N632 VanDerWaalsContact C-N 3.31Å; R630-N632 PolarHBondContact O-N 3.16Å; N632-L634 VanDerWaalsContact C-N 3.31Å; N632-L634 PolarHBondContact O-N 2.8Å; N632-A635 PolarHBondContact O-N 2.65Å; N632-E636 PolarHBondContact O-N 2.77Å; N632-L642 WeakPolarHBondContact OD1-CD1 3.39Å
633A78.6Confident75.7Confident60 Ų6048.8 Ų48.850%0.49627%0.266SS..Hα-helixtrans-64.9-36.4177.300000112.1R630 R637R630-A633 PolarHBondContact O-N 2.93Å; A633-R637 VanDerWaalsContact O-CB 3.29Å; A633-R637 WeakPolarHBondContact O-CB 3.46Å; A633-R637 PolarHBondContact O-N 3.27Å
634L84.5Confident76.9Confident7 Ų745.4 Ų45.44%0.03725%0.245CC..Hα-helixtrans-68.4-42.2174.6-68.7174.9000111.8R630 L631 N632 E636 R637 F638 I669 L684 C687 L691R630-L634 WeakPolarHBondContact O-CB 3.36Å; R630-L634 VanDerWaalsContact O-CG 3.24Å; R630-L634 WeakPolarHBondContact O-CG 3.45Å; R630-L634 PolarHBondContact O-N 3.1Å; L631-L634 PolarHBondContact O-N 2.74Å; N632-L634 VanDerWaalsContact C-N 3.31Å; N632-L634 PolarHBondContact O-N 2.8Å; L634-E636 VanDerWaalsContact C-N 3.33Å; L634-E636 PolarHBondContact O-N 3.26Å; L634-R637 PolarHBondContact O-N 2.78Å; L634-F638 HydrophobicContact CB-CD2 4.35Å; L634-F638 HydrophobicContact CB-CE2 3.81Å; L634-F638 HydrophobicContact CB-CZ 4.42Å; L634-F638 HydrophobicContact CD2-CE2 4.19Å; L634-F638 HydrophobicContact CD2-CZ 3.97Å; L634-F638 HydrophobicContact CG-CE2 4.48Å; L634-F638 WeakPolarHBondContact O-CD2 3.48Å; L634-F638 VanDerWaalsContact O-CG 3.27Å; L634-F638 WeakPolarHBondContact O-CG 3.33Å; L634-F638 PolarHBondContact O-N 2.73Å; L634-I669 HydrophobicContact CB-CD1 3.69Å; L634-L684 HydrophobicContact CD2-CD2 3.39Å; L634-C687 HydrophobicContact CD1-CB 3.86Å; L634-L691 HydrophobicContact CD1-CD1 4.07Å
635A82.7Confident77.8Confident6 Ų649.8 Ų49.85%0.0526%0.263CS..Hα-helixtrans-59-46.7175.500000110.6L631 N632 R637 F638 G639 G640 L642 I669L631-A635 WeakPolarHBondContact O-CB 3.41Å; L631-A635 PolarHBondContact O-N 2.89Å; N632-A635 PolarHBondContact O-N 2.65Å; A635-R637 PolarHBondContact O-N 3.13Å; A635-F638 PolarHBondContact O-N 3.48Å; A635-G639 PolarHBondContact O-N 3.33Å; A635-G639 VanDerWaalsContact O-N 3.12Å; A635-G640 PolarHBondContact O-N 2.63Å; A635-L642 HydrophobicContact CB-CD2 4.44Å; A635-L642 HydrophobicContact CB-CG 4.32Å; A635-I669 HydrophobicContact CB-CD1 4.21Å; A635-I669 HydrophobicContact CB-CG1 4.13Å; A635-I669 HydrophobicContact CB-CG2 3.94Å
636E77.4Confident78.8Confident131 Ų13151.1 Ų51.161%0.61227%0.267SS*.Hα-helixtrans-60.3-44.7173.7-73.4-172.4159.600112.2N632 L634 F638 G639 Q1206N632-E636 PolarHBondContact O-N 2.77Å; L634-E636 VanDerWaalsContact C-N 3.33Å; L634-E636 PolarHBondContact O-N 3.26Å; E636-F638 VanDerWaalsContact C-N 3.35Å; E636-F638 PolarHBondContact O-N 2.91Å; E636-G639 PolarHBondContact O-N 3.3Å; E636-Q1206 PolarHBondContact OE1-NE2 3.21Å
637R79.9Confident79.6Confident119 Ų11951.3 Ų51.345%0.44927%0.267SS..Hα-helixtrans-63.5-36.7-180-178.2174.9169.1174.2-7.2112.9A633 L634 A635 G639 H680A633-R637 VanDerWaalsContact O-CB 3.29Å; A633-R637 WeakPolarHBondContact O-CB 3.46Å; A633-R637 PolarHBondContact O-N 3.27Å; L634-R637 PolarHBondContact O-N 2.78Å; A635-R637 PolarHBondContact O-N 3.13Å; R637-G639 VanDerWaalsContact C-N 3.33Å; R637-H680 PolarHBondContact NH2-O 3.24Å
638F83.8Confident80.3Confident19 Ų1944.8 Ų44.88%0.08324%0.238CC..Hα-helixtrans-87.2-1.5178.7-54.2-39.7000113.5L634 A635 E636 G640 I669 V671 V677 H680 L681 L684 L691 L693L634-F638 HydrophobicContact CB-CD2 4.35Å; L634-F638 HydrophobicContact CB-CE2 3.81Å; L634-F638 HydrophobicContact CB-CZ 4.42Å; L634-F638 HydrophobicContact CD2-CE2 4.19Å; L634-F638 HydrophobicContact CD2-CZ 3.97Å; L634-F638 HydrophobicContact CG-CE2 4.48Å; L634-F638 WeakPolarHBondContact O-CD2 3.48Å; L634-F638 VanDerWaalsContact O-CG 3.27Å; L634-F638 WeakPolarHBondContact O-CG 3.33Å; L634-F638 PolarHBondContact O-N 2.73Å; A635-F638 PolarHBondContact O-N 3.48Å; E636-F638 VanDerWaalsContact C-N 3.35Å; E636-F638 PolarHBondContact O-N 2.91Å; F638-G640 PolarHBondContact O-N 3.12Å; F638-I669 HydrophobicContact CD2-CD1 3.83Å; F638-I669 HydrophobicContact CE2-CD1 4Å; F638-V671 HydrophobicContact CB-CG2 4.24Å; F638-V677 HydrophobicContact CB-CG1 4.35Å; F638-V677 HydrophobicContact CB-CG2 4.27Å; F638-V677 HydrophobicContact CD1-CG1 3.57Å; F638-V677 HydrophobicContact CD2-CG1 4.27Å; F638-V677 HydrophobicContact CE1-CG1 3.87Å; F638-V677 HydrophobicContact CG-CG1 3.8Å; F638-V677 HydrophobicContact CZ-CG1 4.36Å; F638-H680 HydrophobicContact CD1-CB 4.08Å; F638-H680 HydrophobicContact CE1-CB 3.93Å; F638-L681 HydrophobicContact CE1-CD2 4.38Å; F638-L681 HydrophobicContact CZ-CD2 4.08Å; F638-L684 HydrophobicContact CE1-CD1 4.26Å; F638-L684 HydrophobicContact CE1-CD2 4.49Å; F638-L684 HydrophobicContact CZ-CD1 3.7Å; F638-L684 HydrophobicContact CZ-CD2 4.16Å; F638-L691 HydrophobicContact CE2-CD2 3.81Å; F638-L691 HydrophobicContact CZ-CD2 4.11Å; F638-L693 HydrophobicContact CD2-CD2 4.03Å; F638-L693 HydrophobicContact CE2-CD2 4.22Å
639G78.3Confident80.4Confident56 Ų5650.8 Ų50.858%0.57727%0.27SS*.THydrogen-bonded Turntrans63.325-172.600000113A635 E636 R637A635-G639 PolarHBondContact O-N 3.33Å; A635-G639 VanDerWaalsContact O-N 3.12Å; E636-G639 PolarHBondContact O-N 3.3Å; R637-G639 VanDerWaalsContact C-N 3.33Å
640G83.2Confident80.9Confident12 Ų1246 Ų4612%0.12425%0.249CC..  trans-102.3-178.7179.500000112.9A635 F638 V670A635-G640 PolarHBondContact O-N 2.63Å; F638-G640 PolarHBondContact O-N 3.12Å; G640-V670 CarbonylContact C-O 3.59Å; G640-V670 WeakPolarHBondContact CA-O 3.43Å
641V83.6Confident80.9Confident41 Ų4144.4 Ų44.425%0.24825%0.251CS..EExtended strand (participates in β ladder)trans-130.8140.4-179.2179.20000108.1E645 I646 V670 P698V641-E645 HydrophobicContact CG1-CB 3.77Å; V641-E645 HydrophobicContact CG1-CG 4.49Å; V641-E645 WeakPolarHBondContact CG1-OE2 3.24Å; V641-I646 HydrophobicContact CG1-CG1 4.32Å; V641-V670 PolarHBondContact N-O 3.29Å; V641-V670 PolarHBondContact O-N 3.3Å; V641-P698 HydrophobicContact CB-CB 4.35Å; V641-P698 HydrophobicContact CB-CG 4.39Å; V641-P698 HydrophobicContact CG2-CB 4.09Å; V641-P698 HydrophobicContact CG2-CG 4.02Å
642L86.2Confident80.5Confident2 Ų248.2 Ų48.21%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-65.7139.9175.1-70.1174.1000110.3L631 N632 A635 S644 E645 I646 I669L631-L642 HydrophobicContact CB-CD2 3.99Å; N632-L642 WeakPolarHBondContact OD1-CD1 3.39Å; A635-L642 HydrophobicContact CB-CD2 4.44Å; A635-L642 HydrophobicContact CB-CG 4.32Å; L642-S644 PolarHBondContact O-N 3.29Å; L642-S644 VanDerWaalsContact O-N 3.12Å; L642-E645 HydrophobicContact CB-CG 4.29Å; L642-E645 WeakPolarHBondContact O-CB 3.44Å; L642-E645 PolarHBondContact O-N 3.11Å; L642-I646 PolarHBondContact O-N 3.3Å; L642-I669 HydrophobicContact CD2-CG1 3.82Å
643L85.9Confident80.6Confident0 Ų054.1 Ų54.10%030%0.297CS..Hα-helixtrans-57.4-30.3177-169.766.5000111.8E645 I646 Y647 Y662 S665 A668 V670 I694 F701 F735L643-E645 VanDerWaalsContact C-N 3.27Å; L643-E645 PolarHBondContact O-N 3.42Å; L643-I646 HydrophobicContact CD1-CD1 4.37Å; L643-I646 PolarHBondContact O-N 3.32Å; L643-Y647 HydrophobicContact CD1-CD2 4.05Å; L643-Y647 HydrophobicContact CD1-CE2 3.73Å; L643-Y647 HydrophobicContact CD2-CE2 4.5Å; L643-Y647 HydrophobicContact CG-CD2 3.95Å; L643-Y647 HydrophobicContact CG-CE2 4.01Å; L643-Y647 PolarHBondContact O-N 3.32Å; L643-Y647 VanDerWaalsContact O-N 3.1Å; L643-Y662 HydrophobicContact CD2-CD1 3.49Å; L643-Y662 VanDerWaalsContact CD2-CD1 3.49Å; L643-Y662 HydrophobicContact CD2-CD2 4.04Å; L643-Y662 HydrophobicContact CD2-CE1 3.77Å; L643-Y662 HydrophobicContact CD2-CE2 4.28Å; L643-Y662 HydrophobicContact CD2-CG 3.63Å; L643-S665 WeakPolarHBondContact CD2-O 3.47Å; L643-A668 HydrophobicContact CB-CB 4.44Å; L643-A668 WeakPolarHBondContact CB-O 3.49Å; L643-A668 HydrophobicContact CD2-CB 4.49Å; L643-A668 PolarHBondContact N-O 2.82Å; L643-V670 HydrophobicContact CB-CG2 4.29Å; L643-V670 HydrophobicContact CD1-CG2 3.62Å; L643-I694 HydrophobicContact CD1-CD1 4.49Å; L643-I694 HydrophobicContact CD2-CD1 4.02Å; L643-F701 HydrophobicContact CD1-CD1 4.29Å; L643-F701 HydrophobicContact CD1-CE1 3.61Å; L643-F701 HydrophobicContact CD1-CE2 4.49Å; L643-F701 HydrophobicContact CD1-CZ 3.72Å; L643-F735 HydrophobicContact CD2-CZ 3.91Å; L643-F735 HydrophobicContact CG-CE1 4.47Å; L643-F735 HydrophobicContact CG-CZ 4.03Å
644S84.1Confident80.9Confident3 Ų355 Ų552%0.02129%0.293CS..Hα-helixtrans-66.7-24.3174.657.60000114.4G624 L642 D648G624-S644 WeakPolarHBondContact O-CB 2.94Å; G624-S644 PolarHBondContact O-OG 2.84Å; L642-S644 PolarHBondContact O-N 3.29Å; L642-S644 VanDerWaalsContact O-N 3.12Å; S644-D648 PolarHBondContact O-N 2.81Å
645E78.8Confident81Confident98 Ų9854.6 Ų54.646%0.45829%0.291SS..Hα-helixtrans-77.9-29.9172.9-64.1-169.716600112V641 L642 L643 D648V641-E645 HydrophobicContact CG1-CB 3.77Å; V641-E645 HydrophobicContact CG1-CG 4.49Å; V641-E645 WeakPolarHBondContact CG1-OE2 3.24Å; L642-E645 HydrophobicContact CB-CG 4.29Å; L642-E645 WeakPolarHBondContact O-CB 3.44Å; L642-E645 PolarHBondContact O-N 3.11Å; L643-E645 VanDerWaalsContact C-N 3.27Å; L643-E645 PolarHBondContact O-N 3.42Å; E645-D648 WeakPolarHBondContact O-CB 3.04Å
646I79.9Confident81.2Confident42 Ų4255.5 Ų55.522%0.21530%0.296CS..Hα-helixtrans-70.8-45.1175.7-61175.3000109.9V641 L642 L643 D648 V670 P698 F701V641-I646 HydrophobicContact CG1-CG1 4.32Å; L642-I646 PolarHBondContact O-N 3.3Å; L643-I646 HydrophobicContact CD1-CD1 4.37Å; L643-I646 PolarHBondContact O-N 3.32Å; I646-D648 PolarHBondContact O-N 3.46Å; I646-V670 HydrophobicContact CD1-CB 3.74Å; I646-V670 HydrophobicContact CD1-CG1 3.99Å; I646-V670 HydrophobicContact CD1-CG2 3.49Å; I646-V670 VanDerWaalsContact CD1-CG2 3.49Å; I646-P698 HydrophobicContact CD1-CB 4.39Å; I646-F701 HydrophobicContact CD1-CB 4.42Å; I646-F701 HydrophobicContact CD1-CD2 4.17Å; I646-F701 HydrophobicContact CD1-CG 4.23Å; I646-F701 HydrophobicContact CG2-CB 3.92Å; I646-F701 HydrophobicContact CG2-CD1 4.46Å; I646-F701 HydrophobicContact CG2-CG 4.32Å
647Y81.8Confident81.8Confident9 Ų952 Ų524%0.03528%0.278CS..G310 helixtrans-88.724.3176.3-67.8-69.7000113.6L643 D649 V650 F658 Y662 F701 D703 F735 G736L643-Y647 HydrophobicContact CD1-CD2 4.05Å; L643-Y647 HydrophobicContact CD1-CE2 3.73Å; L643-Y647 HydrophobicContact CD2-CE2 4.5Å; L643-Y647 HydrophobicContact CG-CD2 3.95Å; L643-Y647 HydrophobicContact CG-CE2 4.01Å; L643-Y647 PolarHBondContact O-N 3.32Å; L643-Y647 VanDerWaalsContact O-N 3.1Å; Y647-D649 VanDerWaalsContact C-N 3.28Å; Y647-D649 PolarHBondContact O-N 3.18Å; Y647-V650 HydrophobicContact CD1-CG2 3.48Å; Y647-V650 VanDerWaalsContact CD1-CG2 3.48Å; Y647-V650 HydrophobicContact CG-CG2 4.04Å; Y647-V650 WeakPolarHBondContact O-CG2 3.3Å; Y647-F658 HydrophobicContact CD1-CD1 4.32Å; Y647-F658 HydrophobicContact CD1-CG 4.44Å; Y647-F658 AromaticContact CE1-CD1 3.86Å; Y647-F658 HydrophobicContact CE1-CD1 3.86Å; Y647-F658 AromaticContact CE1-CE1 3.96Å; Y647-F658 HydrophobicContact CE1-CE1 3.96Å; Y647-F658 HydrophobicContact CE1-CG 4.43Å; Y647-Y662 HydrophobicContact CD2-CE2 4.21Å; Y647-Y662 HydrophobicContact CE2-CD2 4.18Å; Y647-Y662 AromaticContact CE2-CE2 3.31Å; Y647-Y662 HydrophobicContact CE2-CE2 3.31Å; Y647-Y662 AromaticContact CE2-CZ 3.69Å; Y647-Y662 AromaticContact CZ-CE2 3.62Å; Y647-Y662 AromaticContact CZ-CZ 3.96Å; Y647-Y662 WeakPolarHBondContact OH-CE2 3Å; Y647-Y662 PolarHBondContact OH-OH 2.81Å; Y647-F701 HydrophobicContact CE2-CD1 4.45Å; Y647-F701 HydrophobicContact CE2-CE1 4.39Å; Y647-D703 WeakPolarHBondContact CE1-OD1 3.43Å; Y647-D703 VanDerWaalsContact CZ-OD1 3.3Å; Y647-D703 PolarHBondContact OH-OD1 2.98Å; Y647-F735 HydrophobicContact CD2-CD2 4.36Å; Y647-F735 HydrophobicContact CD2-CE2 4.13Å; Y647-F735 HydrophobicContact CD2-CZ 4.25Å; Y647-F735 HydrophobicContact CG-CD2 4.39Å; Y647-G736 PolarHBondContact O-N 3.44Å
648D79.2Confident82.2Confident41 Ų4147.9 Ų47.922%0.21926%0.263CS..G310 helixtrans-70.8-26.6179.5-153.130.5000111.9S644 E645 I646 G736 R737 R740S644-D648 PolarHBondContact O-N 2.81Å; E645-D648 WeakPolarHBondContact O-CB 3.04Å; I646-D648 PolarHBondContact O-N 3.46Å; D648-G736 CarbonylContact O-C 3.51Å; D648-G736 WeakPolarHBondContact O-CA 3.32Å; D648-R737 WeakPolarHBondContact O-CB 3.31Å; D648-R737 PolarHBondContact O-N 3.2Å; D648-R737 WeakPolarHBondContact OD1-CB 3.4Å; D648-R737 PolarHBondContact OD1-N 2.91Å; D648-R740 IonicContact OD1-CZ 3.93Å; D648-R740 IonicContact OD1-NH2 2.67Å; D648-R740 PolarHBondContact OD1-NH2 3.42Å; D648-R740 IonicContact OD2-NH2 3.69Å
649D74Confident82.4Confident161 Ų16147 Ų4786%0.86126%0.26SS*.G310 helixtrans-93.47.7-179-71.9-27.7000114.1Y647Y647-D649 VanDerWaalsContact C-N 3.28Å; Y647-D649 PolarHBondContact O-N 3.18Å
650V80.9Confident82.9Confident21 Ų2144.5 Ų44.513%0.12723%0.233CC..  trans-65.6144.8177.3175.90000111.3Y647 D654 A655 F658Y647-V650 HydrophobicContact CD1-CG2 3.48Å; Y647-V650 VanDerWaalsContact CD1-CG2 3.48Å; Y647-V650 HydrophobicContact CG-CG2 4.04Å; Y647-V650 WeakPolarHBondContact O-CG2 3.3Å; V650-D654 HydrophobicContact CG1-CB 3.74Å; V650-A655 HydrophobicContact CG1-CB 4.33Å; V650-F658 HydrophobicContact CG1-CD2 3.58Å; V650-F658 HydrophobicContact CG1-CE2 3.91Å; V650-F658 HydrophobicContact CG2-CD2 4.22Å; V650-F658 HydrophobicContact CG2-CE2 4.42Å
651S78Confident83.2Confident50 Ų5044.2 Ų44.235%0.3523%0.229SC..  trans-61.6152.9178.190.90000111.9E653 D654 A655S651-E653 PolarHBondContact O-N 3.13Å; S651-E653 PolarHBondContact OG-N 2.98Å; S651-D654 PolarHBondContact O-N 3.36Å; S651-D654 WeakPolarHBondContact OG-CB 3.3Å; S651-D654 PolarHBondContact OG-N 3.05Å; S651-D654 VanDerWaalsContact OG-N 3.14Å; S651-D654 PolarHBondContact OG-OD2 3.47Å; S651-A655 WeakPolarHBondContact O-CB 3.28Å; S651-A655 PolarHBondContact O-N 2.83Å
652L72.9Confident83.4Confident89 Ų8942.3 Ų42.347%0.46622%0.217SC..THydrogen-bonded Turntrans-61.5-29.8179.1-166.7147.8000112.2A739L652-A739 HydrophobicContact CD1-CB 4.44Å; L652-A739 HydrophobicContact CG-CB 4.06Å
653E79.4Confident83.5Confident170 Ų17042.3 Ų42.379%0.79422%0.218SC*.THydrogen-bonded Turntrans-75.6-34.7178.5-64.9-177.7179.400112.4S651 P656S651-E653 PolarHBondContact O-N 3.13Å; S651-E653 PolarHBondContact OG-N 2.98Å; E653-P656 WeakPolarHBondContact O-CD 3.37Å
654D84.7Confident83.4Confident77 Ų7745.3 Ų45.341%0.41224%0.238SC..THydrogen-bonded Turntrans-92.1-21.2-175.9-56.1-44.1000113.4V650 S651 P656 Y657 F658V650-D654 HydrophobicContact CG1-CB 3.74Å; S651-D654 PolarHBondContact O-N 3.36Å; S651-D654 WeakPolarHBondContact OG-CB 3.3Å; S651-D654 PolarHBondContact OG-N 3.05Å; S651-D654 VanDerWaalsContact OG-N 3.14Å; S651-D654 PolarHBondContact OG-OD2 3.47Å; D654-P656 VanDerWaalsContact C-CD 3.42Å; D654-P656 VanDerWaalsContact C-N 3.32Å; D654-Y657 WeakPolarHBondContact O-CA 3.42Å; D654-Y657 VanDerWaalsContact O-CB 3.29Å; D654-Y657 WeakPolarHBondContact O-CB 3.33Å; D654-Y657 PolarHBondContact O-N 3.43Å; D654-F658 HydrophobicContact CB-CD2 4.01Å; D654-F658 HydrophobicContact CB-CE2 3.86Å; D654-F658 WeakPolarHBondContact O-CD2 3.27Å; D654-F658 PolarHBondContact O-N 3.17Å
655A85.7Confident83.5Confident0 Ų045.9 Ų45.90%024%0.241CC..Hα-helixtrans-51.4-41.1-179.700000114.3V650 S651 S659 P733 F735 A739V650-A655 HydrophobicContact CG1-CB 4.33Å; S651-A655 WeakPolarHBondContact O-CB 3.28Å; S651-A655 PolarHBondContact O-N 2.83Å; A655-S659 WeakPolarHBondContact O-CB 3.09Å; A655-S659 PolarHBondContact O-N 2.99Å; A655-S659 PolarHBondContact O-OG 2.95Å; A655-P733 VanDerWaalsContact C-CB 3.46Å; A655-P733 HydrophobicContact CB-CB 3.86Å; A655-P733 HydrophobicContact CB-CG 3.79Å; A655-P733 WeakPolarHBondContact O-CB 3.34Å; A655-F735 VanDerWaalsContact CB-O 3.25Å; A655-F735 WeakPolarHBondContact CB-O 3.46Å; A655-A739 HydrophobicContact CB-CB 4.27Å
656P88Confident83.9Confident25 Ų2545.3 Ų45.316%0.16224%0.235CC..Hα-helixtrans-63.2-39.7172.4-20.232.7000113.3E653 D654 S659 A660 F729 P730 P733E653-P656 WeakPolarHBondContact O-CD 3.37Å; D654-P656 VanDerWaalsContact C-CD 3.42Å; D654-P656 VanDerWaalsContact C-N 3.32Å; P656-S659 PolarHBondContact O-N 3Å; P656-A660 WeakPolarHBondContact O-CB 3.27Å; P656-A660 PolarHBondContact O-N 3.5Å; P656-F729 HydrophobicContact CB-CB 3.77Å; P656-F729 HydrophobicContact CB-CD2 4.3Å; P656-F729 HydrophobicContact CB-CG 4.09Å; P656-P730 VanDerWaalsContact O-CD 3.28Å; P656-P730 WeakPolarHBondContact O-CD 3.25Å; P656-P733 HydrophobicContact CG-CB 4.38Å; P656-P733 HydrophobicContact CG-CG 4.07Å
657Y89.6Confident84.2Confident56 Ų5645.1 Ų45.122%0.2223%0.233CC..Hα-helixtrans-60.6-53.5177.6168.9-90.9000110.8D654 S659 A660 L661 E710 V715 F729D654-Y657 WeakPolarHBondContact O-CA 3.42Å; D654-Y657 VanDerWaalsContact O-CB 3.29Å; D654-Y657 WeakPolarHBondContact O-CB 3.33Å; D654-Y657 PolarHBondContact O-N 3.43Å; Y657-S659 VanDerWaalsContact C-N 3.34Å; Y657-S659 PolarHBondContact O-N 2.9Å; Y657-A660 PolarHBondContact O-N 3.16Å; Y657-A660 VanDerWaalsContact O-N 3.15Å; Y657-L661 HydrophobicContact CE1-CD2 4.1Å; Y657-L661 WeakPolarHBondContact O-CB 3.27Å; Y657-L661 PolarHBondContact O-N 2.97Å; Y657-E710 HydrophobicContact CD2-CG 4.46Å; Y657-E710 HydrophobicContact CE2-CG 4.19Å; Y657-V715 HydrophobicContact CD2-CG1 3.79Å; Y657-V715 HydrophobicContact CE2-CG1 3.55Å; Y657-F729 AromaticContact CD2-CE1 3.96Å; Y657-F729 HydrophobicContact CD2-CE1 3.96Å; Y657-F729 AromaticContact CD2-CZ 3.84Å; Y657-F729 HydrophobicContact CD2-CZ 3.84Å; Y657-F729 HydrophobicContact CG-CE1 4.49Å; Y657-F729 HydrophobicContact CG-CZ 4.43Å
658F87.6Confident84.5Confident33 Ų3344.7 Ų44.715%0.14523%0.232CC..Hα-helixtrans-65-38.4-179.4-73.1-75.7000112.2Y647 V650 D654 A660 L661 Y662 F735Y647-F658 HydrophobicContact CD1-CD1 4.32Å; Y647-F658 HydrophobicContact CD1-CG 4.44Å; Y647-F658 AromaticContact CE1-CD1 3.86Å; Y647-F658 HydrophobicContact CE1-CD1 3.86Å; Y647-F658 AromaticContact CE1-CE1 3.96Å; Y647-F658 HydrophobicContact CE1-CE1 3.96Å; Y647-F658 HydrophobicContact CE1-CG 4.43Å; V650-F658 HydrophobicContact CG1-CD2 3.58Å; V650-F658 HydrophobicContact CG1-CE2 3.91Å; V650-F658 HydrophobicContact CG2-CD2 4.22Å; V650-F658 HydrophobicContact CG2-CE2 4.42Å; D654-F658 HydrophobicContact CB-CD2 4.01Å; D654-F658 HydrophobicContact CB-CE2 3.86Å; D654-F658 WeakPolarHBondContact O-CD2 3.27Å; D654-F658 PolarHBondContact O-N 3.17Å; F658-A660 VanDerWaalsContact C-N 3.28Å; F658-A660 PolarHBondContact O-N 3.18Å; F658-L661 HydrophobicContact CD1-CD2 4.1Å; F658-L661 HydrophobicContact CE1-CD2 4.49Å; F658-L661 WeakPolarHBondContact O-CB 3.43Å; F658-L661 PolarHBondContact O-N 3.3Å; F658-Y662 WeakPolarHBondContact O-CD2 3.38Å; F658-Y662 PolarHBondContact O-N 3.18Å; F658-F735 HydrophobicContact CB-CD2 3.76Å; F658-F735 HydrophobicContact CB-CE2 4.29Å
659S88Confident85Confident1 Ų142.8 Ų42.81%0.00722%0.221CC..Hα-helixtrans-61.7-38.1175.8-62.60000111.8A655 P656 Y657 G663 P733 L734A655-S659 WeakPolarHBondContact O-CB 3.09Å; A655-S659 PolarHBondContact O-N 2.99Å; A655-S659 PolarHBondContact O-OG 2.95Å; P656-S659 PolarHBondContact O-N 3Å; Y657-S659 VanDerWaalsContact C-N 3.34Å; Y657-S659 PolarHBondContact O-N 2.9Å; S659-G663 PolarHBondContact O-N 2.91Å; S659-P733 WeakPolarHBondContact OG-CB 3.32Å; S659-L734 PolarHBondContact OG-N 3.49Å
660A88.8Confident85.5Confident3 Ų335.1 Ų35.13%0.02518%0.18CC..Hα-helixtrans-74.4-33.7175.100000112.8P656 Y657 F658 G663 V715 R725 S727 F729P656-A660 WeakPolarHBondContact O-CB 3.27Å; P656-A660 PolarHBondContact O-N 3.5Å; Y657-A660 PolarHBondContact O-N 3.16Å; Y657-A660 VanDerWaalsContact O-N 3.15Å; F658-A660 VanDerWaalsContact C-N 3.28Å; F658-A660 PolarHBondContact O-N 3.18Å; A660-G663 PolarHBondContact O-N 2.93Å; A660-V715 HydrophobicContact CB-CG2 3.69Å; A660-R725 PolarHBondContact O-NH2 3.22Å; A660-S727 WeakPolarHBondContact O-CB 3.47Å; A660-F729 HydrophobicContact CB-CD1 3.8Å; A660-F729 HydrophobicContact CB-CE1 4.36Å
661L89.2Confident85.8Confident6 Ų634.2 Ų34.23%0.03118%0.175CC..Hα-helixtrans-63.2-40.1177.4176.862.6000112.4Y657 F658 F706 V708 V717 R725Y657-L661 HydrophobicContact CE1-CD2 4.1Å; Y657-L661 WeakPolarHBondContact O-CB 3.27Å; Y657-L661 PolarHBondContact O-N 2.97Å; F658-L661 HydrophobicContact CD1-CD2 4.1Å; F658-L661 HydrophobicContact CE1-CD2 4.49Å; F658-L661 WeakPolarHBondContact O-CB 3.43Å; F658-L661 PolarHBondContact O-N 3.3Å; L661-F706 HydrophobicContact CD1-CB 4.25Å; L661-F706 HydrophobicContact CD1-CD2 4.07Å; L661-F706 HydrophobicContact CG-CD2 4.23Å; L661-V708 HydrophobicContact CD1-CB 4.48Å; L661-V708 HydrophobicContact CD1-CG1 4.4Å; L661-V708 HydrophobicContact CD1-CG2 3.3Å; L661-V717 HydrophobicContact CD1-CG2 4.11Å; L661-R725 PolarHBondContact O-NH2 2.9Å
662Y88.9Confident85.9Confident1 Ų135.5 Ų35.50%0.00418%0.182CC..Hα-helixtrans-86.1-31175.3-72.9-79.1000111.9L643 Y647 F658 S665 I694 F701 F706 R725 F735L643-Y662 HydrophobicContact CD2-CD1 3.49Å; L643-Y662 VanDerWaalsContact CD2-CD1 3.49Å; L643-Y662 HydrophobicContact CD2-CD2 4.04Å; L643-Y662 HydrophobicContact CD2-CE1 3.77Å; L643-Y662 HydrophobicContact CD2-CE2 4.28Å; L643-Y662 HydrophobicContact CD2-CG 3.63Å; Y647-Y662 HydrophobicContact CD2-CE2 4.21Å; Y647-Y662 HydrophobicContact CE2-CD2 4.18Å; Y647-Y662 AromaticContact CE2-CE2 3.31Å; Y647-Y662 HydrophobicContact CE2-CE2 3.31Å; Y647-Y662 AromaticContact CE2-CZ 3.69Å; Y647-Y662 AromaticContact CZ-CE2 3.62Å; Y647-Y662 AromaticContact CZ-CZ 3.96Å; Y647-Y662 WeakPolarHBondContact OH-CE2 3Å; Y647-Y662 PolarHBondContact OH-OH 2.81Å; F658-Y662 WeakPolarHBondContact O-CD2 3.38Å; F658-Y662 PolarHBondContact O-N 3.18Å; Y662-S665 PolarHBondContact O-N 3.46Å; Y662-S665 PolarHBondContact O-OG 3.37Å; Y662-I694 HydrophobicContact CD1-CD1 4.45Å; Y662-I694 HydrophobicContact CE1-CD1 4.36Å; Y662-F701 WeakPolarHBondContact OH-CE1 3.48Å; Y662-F706 AromaticContact CD1-CE2 3.79Å; Y662-F706 HydrophobicContact CD1-CE2 3.79Å; Y662-F706 HydrophobicContact CD1-CZ 4.46Å; Y662-F706 AromaticContact CE1-CE2 3.75Å; Y662-F706 HydrophobicContact CE1-CE2 3.75Å; Y662-R725 PolarHBondContact O-NH1 3.36Å; Y662-F735 AromaticContact CD2-CE2 3.77Å; Y662-F735 HydrophobicContact CD2-CE2 3.77Å; Y662-F735 HydrophobicContact CD2-CZ 4.3Å; Y662-F735 HydrophobicContact CG-CE2 4.39Å
663G87.7Confident86.3Confident3 Ų333.4 Ų33.43%0.03117%0.171CC..G310 helixtrans62.1-126.4177.600000110S659 A660 S665 R666S659-G663 PolarHBondContact O-N 2.91Å; A660-G663 PolarHBondContact O-N 2.93Å; G663-S665 VanDerWaalsContact C-N 3.26Å; G663-S665 PolarHBondContact O-N 2.95Å; G663-R666 WeakPolarHBondContact O-CB 3.42Å; G663-R666 VanDerWaalsContact O-CD 3.26Å; G663-R666 WeakPolarHBondContact O-CD 3.22Å; G663-R666 WeakPolarHBondContact O-CG 3.38Å; G663-R666 PolarHBondContact O-N 3.28Å; G663-R666 PolarHBondContact O-NH1 2.82Å
664P84.7Confident86.5Confident63 Ų6328 Ų2841%0.40915%0.148SC..G310 helixtrans-59.9-32.5177.6-23.234.2000114R666 Y692P664-R666 PolarHBondContact O-N 3.15Å; P664-R666 VanDerWaalsContact O-N 3.14Å; P664-Y692 HydrophobicContact CB-CE2 3.99Å
665S86.7Confident86.4Confident14 Ų1427.8 Ų27.810%0.09815%0.152CC..G310 helixtrans-76.84.9-179.369.70000113.5L643 Y662 G663 H667 A668L643-S665 WeakPolarHBondContact CD2-O 3.47Å; Y662-S665 PolarHBondContact O-N 3.46Å; Y662-S665 PolarHBondContact O-OG 3.37Å; G663-S665 VanDerWaalsContact C-N 3.26Å; G663-S665 PolarHBondContact O-N 2.95Å; S665-H667 PolarHBondContact O-N 3.4Å; S665-A668 WeakPolarHBondContact O-CB 3.21Å; S665-A668 PolarHBondContact O-N 3.08Å
666R86.9Confident86.1Confident87 Ų8733.9 Ų33.933%0.32818%0.181SC..G310 helixtrans-61.3-22.2172.369.7-171.6170.2-110.13.3112.9G663 P664 A668 L734 F735G663-R666 WeakPolarHBondContact O-CB 3.42Å; G663-R666 VanDerWaalsContact O-CD 3.26Å; G663-R666 WeakPolarHBondContact O-CD 3.22Å; G663-R666 WeakPolarHBondContact O-CG 3.38Å; G663-R666 PolarHBondContact O-N 3.28Å; G663-R666 PolarHBondContact O-NH1 2.82Å; P664-R666 PolarHBondContact O-N 3.15Å; P664-R666 VanDerWaalsContact O-N 3.14Å; R666-A668 VanDerWaalsContact C-N 3.3Å; R666-L734 HydrophobicContact CB-CD2 4.15Å; R666-L734 HydrophobicContact CG-CD2 3.8Å; R666-F735 HydrophobicContact CB-CE1 4.05Å; R666-F735 HydrophobicContact CB-CE2 4.08Å; R666-F735 HydrophobicContact CB-CZ 3.52Å; R666-F735 WeakPolarHBondContact O-CE1 3.38Å
667H86.1Confident85.8Confident38 Ų3832.9 Ų32.918%0.17617%0.174CC..G310 helixtrans-91.113173.6-59.6-70.1000112.9L631 S665 L734L631-H667 HydrophobicContact CD1-CB 3.9Å; S665-H667 PolarHBondContact O-N 3.4Å; H667-L734 VanDerWaalsContact CE1-CD2 3.5Å; H667-L734 WeakPolarHBondContact CE1-CD2 3.41Å
668A88.6Confident85.3Confident0 Ų034.2 Ų34.20%019%0.188CC..PPolyproline II helixtrans-67.4151.5-176.700000112.2L643 S665 R666 Y692 I694L643-A668 HydrophobicContact CB-CB 4.44Å; L643-A668 WeakPolarHBondContact CB-O 3.49Å; L643-A668 HydrophobicContact CD2-CB 4.49Å; L643-A668 PolarHBondContact N-O 2.82Å; S665-A668 WeakPolarHBondContact O-CB 3.21Å; S665-A668 PolarHBondContact O-N 3.08Å; R666-A668 VanDerWaalsContact C-N 3.3Å; A668-Y692 CarbonylContact C-O 3.6Å; A668-Y692 WeakPolarHBondContact CA-O 3.34Å; A668-Y692 WeakPolarHBondContact CB-O 3.29Å; A668-I694 HydrophobicContact CB-CD1 3.56Å; A668-I694 HydrophobicContact CB-CG1 3.8Å
669I87.9Confident84.7Confident0 Ų040.4 Ų40.40%022%0.217CC..EExtended strand (participates in β ladder)trans-96.4120.5167.4-56.5166.9000106.9L634 A635 F638 L642 V671 L691 Y692 L693 I694L634-I669 HydrophobicContact CB-CD1 3.69Å; A635-I669 HydrophobicContact CB-CD1 4.21Å; A635-I669 HydrophobicContact CB-CG1 4.13Å; A635-I669 HydrophobicContact CB-CG2 3.94Å; F638-I669 HydrophobicContact CD2-CD1 3.83Å; F638-I669 HydrophobicContact CE2-CD1 4Å; L642-I669 HydrophobicContact CD2-CG1 3.82Å; I669-V671 HydrophobicContact CG2-CG2 3.81Å; I669-L691 HydrophobicContact CD1-CD1 4.01Å; I669-Y692 PolarHBondContact N-O 3.28Å; I669-L693 HydrophobicContact CB-CD2 3.87Å; I669-L693 HydrophobicContact CD1-CD2 4.31Å; I669-L693 WeakPolarHBondContact O-CA 3.25Å; I669-I694 PolarHBondContact O-N 3.25Å
670V86.1Confident84.3Confident0 Ų044.3 Ų44.30%024%0.235CC..EExtended strand (participates in β ladder)trans-81.9122171.5-178.90000108.5G640 V641 L643 I646 I694 G696 P698 F701G640-V670 CarbonylContact C-O 3.59Å; G640-V670 WeakPolarHBondContact CA-O 3.43Å; V641-V670 PolarHBondContact N-O 3.29Å; V641-V670 PolarHBondContact O-N 3.3Å; L643-V670 HydrophobicContact CB-CG2 4.29Å; L643-V670 HydrophobicContact CD1-CG2 3.62Å; I646-V670 HydrophobicContact CD1-CB 3.74Å; I646-V670 HydrophobicContact CD1-CG1 3.99Å; I646-V670 HydrophobicContact CD1-CG2 3.49Å; I646-V670 VanDerWaalsContact CD1-CG2 3.49Å; V670-I694 CarbonylContact C-O 3.58Å; V670-I694 VanDerWaalsContact CA-O 3.28Å; V670-I694 WeakPolarHBondContact CA-O 3.29Å; V670-I694 HydrophobicContact CG2-CB 4.39Å; V670-G696 WeakPolarHBondContact CG1-O 3.16Å; V670-P698 HydrophobicContact CG1-CG 4.46Å; V670-F701 HydrophobicContact CB-CE2 4.28Å; V670-F701 HydrophobicContact CG1-CD2 3.74Å; V670-F701 HydrophobicContact CG1-CE2 3.57Å; V670-F701 HydrophobicContact CG2-CD2 4.25Å; V670-F701 HydrophobicContact CG2-CE2 3.66Å; V670-F701 HydrophobicContact CG2-CZ 4.02Å
671V85.8Confident84Confident3 Ų347.4 Ų47.42%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-124.3140.2-178.5-167.60000108.2F638 I669 D673 V677 L693 I694 E695 G696F638-V671 HydrophobicContact CB-CG2 4.24Å; I669-V671 HydrophobicContact CG2-CG2 3.81Å; V671-D673 PolarHBondContact O-N 2.84Å; V671-V677 HydrophobicContact CB-CG2 4.19Å; V671-V677 HydrophobicContact CG1-CG2 3.58Å; V671-V677 HydrophobicContact CG2-CG2 4.15Å; V671-L693 HydrophobicContact CG2-CD2 4.31Å; V671-I694 PolarHBondContact N-O 2.93Å; V671-E695 VanDerWaalsContact O-CA 3.32Å; V671-E695 WeakPolarHBondContact O-CA 3.43Å; V671-G696 PolarHBondContact O-N 2.7Å
672P80.5Confident83.5Confident77 Ų7756 Ų5650%0.529%0.291SS..SBendtrans-62.2-27.1-178.619.7-32.9000114.5
673D81.6Confident82.7Confident45 Ų4558.2 Ų58.224%0.24132%0.315CS..  trans-153.2116.1-177.4177.80.9000110.1V671 S675 Q676V671-D673 PolarHBondContact O-N 2.84Å; D673-S675 VanDerWaalsContact C-N 3.27Å; D673-S675 PolarHBondContact O-N 3.26Å; D673-S675 WeakPolarHBondContact OD1-CB 3.33Å; D673-S675 PolarHBondContact OD1-N 3.49Å; D673-S675 PolarHBondContact OD1-OG 2.67Å; D673-S675 PolarHBondContact OD2-OG 3.48Å; D673-S675 VanDerWaalsContact OD2-OG 3.08Å; D673-Q676 HydrophobicContact CB-CG 4.4Å; D673-Q676 PolarHBondContact OD2-NE2 3.44Å
674L83.8Confident82.3Confident57 Ų5759.7 Ų59.730%0.29832%0.321SS..Hα-helixtrans-68-26.7-178.9-71.1172.6000112.8Q676 V677 T678 L693 E695L674-Q676 VanDerWaalsContact C-N 3.27Å; L674-Q676 PolarHBondContact O-N 3.11Å; L674-V677 PolarHBondContact O-N 3.04Å; L674-V677 VanDerWaalsContact O-N 3.15Å; L674-T678 PolarHBondContact O-N 2.97Å; L674-L693 HydrophobicContact CD2-CB 3.54Å; L674-L693 HydrophobicContact CD2-CD1 4.38Å; L674-E695 HydrophobicContact CD1-CB 3.83Å; L674-E695 HydrophobicContact CG-CB 3.82Å; L674-E695 HydrophobicContact CG-CG 4.22Å
675S83.1Confident81.9Confident72 Ų7263.4 Ų63.450%0.50334%0.343SS..Hα-helixtrans-64.7-33-176.968.70000112D673 V677 T678D673-S675 VanDerWaalsContact C-N 3.27Å; D673-S675 PolarHBondContact O-N 3.26Å; D673-S675 WeakPolarHBondContact OD1-CB 3.33Å; D673-S675 PolarHBondContact OD1-N 3.49Å; D673-S675 PolarHBondContact OD1-OG 2.67Å; D673-S675 PolarHBondContact OD2-OG 3.48Å; D673-S675 VanDerWaalsContact OD2-OG 3.08Å; S675-V677 VanDerWaalsContact C-N 3.32Å; S675-V677 PolarHBondContact O-N 2.86Å; S675-T678 PolarHBondContact O-OG1 2.91Å
676Q78.9Confident81.6Confident128 Ų12867.5 Ų67.560%0.59836%0.364SS*.Hα-helixtrans-71.8-24.8177.2-64.8175.736.600113.5D673 L674 H680D673-Q676 HydrophobicContact CB-CG 4.4Å; D673-Q676 PolarHBondContact OD2-NE2 3.44Å; L674-Q676 VanDerWaalsContact C-N 3.27Å; L674-Q676 PolarHBondContact O-N 3.11Å; Q676-H680 PolarHBondContact O-ND1 3.04Å
677V81.5Confident81.5Confident4 Ų465.4 Ų65.42%0.02436%0.362CS..Hα-helixtrans-80-29.7-178.8-172.90000111.5F638 V671 L674 S675 E679 H680 L681 L693F638-V677 HydrophobicContact CB-CG1 4.35Å; F638-V677 HydrophobicContact CB-CG2 4.27Å; F638-V677 HydrophobicContact CD1-CG1 3.57Å; F638-V677 HydrophobicContact CD2-CG1 4.27Å; F638-V677 HydrophobicContact CE1-CG1 3.87Å; F638-V677 HydrophobicContact CG-CG1 3.8Å; F638-V677 HydrophobicContact CZ-CG1 4.36Å; V671-V677 HydrophobicContact CB-CG2 4.19Å; V671-V677 HydrophobicContact CG1-CG2 3.58Å; V671-V677 HydrophobicContact CG2-CG2 4.15Å; L674-V677 PolarHBondContact O-N 3.04Å; L674-V677 VanDerWaalsContact O-N 3.15Å; S675-V677 VanDerWaalsContact C-N 3.32Å; S675-V677 PolarHBondContact O-N 2.86Å; V677-E679 VanDerWaalsContact C-N 3.29Å; V677-E679 PolarHBondContact O-N 2.96Å; V677-H680 WeakPolarHBondContact O-CA 3.42Å; V677-H680 WeakPolarHBondContact O-CB 3.35Å; V677-H680 PolarHBondContact O-N 2.81Å; V677-L681 HydrophobicContact CG1-CD2 4.08Å; V677-L681 HydrophobicContact CG1-CG 4.18Å; V677-L681 PolarHBondContact O-N 2.87Å; V677-L693 HydrophobicContact CB-CD1 4.32Å; V677-L693 HydrophobicContact CG1-CD1 3.63Å
678T78.9Confident81.3Confident83 Ų8364.6 Ų64.651%0.50936%0.36SS..Hα-helixtrans-53.3-41.8-174.453.70000113.6L674 S675 H680 L681L674-T678 PolarHBondContact O-N 2.97Å; S675-T678 PolarHBondContact O-OG1 2.91Å; T678-H680 VanDerWaalsContact C-N 3.31Å; T678-H680 PolarHBondContact O-N 3.32Å; T678-L681 PolarHBondContact O-N 3.48Å
679E75.8Confident81.1Confident163 Ų16374.2 Ų74.276%0.76241%0.405SS*.Hα-helixtrans-65.4-32175.7-64.5-173170.100113.1V677 L681V677-E679 VanDerWaalsContact C-N 3.29Å; V677-E679 PolarHBondContact O-N 2.96Å; E679-L681 VanDerWaalsContact C-N 3.31Å; E679-L681 PolarHBondContact O-N 3.49Å
680H79.7Confident81Confident83 Ų8379.6 Ų79.638%0.38443%0.434SS..Hα-helixtrans-75.5-20.6179.9-67.479.3000112.8R637 F638 Q676 V677 T678R637-H680 PolarHBondContact NH2-O 3.24Å; F638-H680 HydrophobicContact CD1-CB 4.08Å; F638-H680 HydrophobicContact CE1-CB 3.93Å; Q676-H680 PolarHBondContact O-ND1 3.04Å; V677-H680 WeakPolarHBondContact O-CA 3.42Å; V677-H680 WeakPolarHBondContact O-CB 3.35Å; V677-H680 PolarHBondContact O-N 2.81Å; T678-H680 VanDerWaalsContact C-N 3.31Å; T678-H680 PolarHBondContact O-N 3.32Å
681L82.1Confident81.1Confident68 Ų6881.8 Ų81.836%0.35645%0.446SS..Hα-helixtrans-71.9-31.9-179.1-63.8178.5000112.7F638 V677 T678 E679 G683 L684 L691 L693F638-L681 HydrophobicContact CE1-CD2 4.38Å; F638-L681 HydrophobicContact CZ-CD2 4.08Å; V677-L681 HydrophobicContact CG1-CD2 4.08Å; V677-L681 HydrophobicContact CG1-CG 4.18Å; V677-L681 PolarHBondContact O-N 2.87Å; T678-L681 PolarHBondContact O-N 3.48Å; E679-L681 VanDerWaalsContact C-N 3.31Å; E679-L681 PolarHBondContact O-N 3.49Å; L681-G683 PolarHBondContact O-N 2.99Å; L681-L684 HydrophobicContact CB-CD1 4.41Å; L681-L684 HydrophobicContact CD2-CD1 3.51Å; L681-L684 PolarHBondContact O-N 3.2Å; L681-L691 HydrophobicContact CD2-CD2 4.15Å; L681-L693 HydrophobicContact CD2-CD1 4.36Å
682E77.3Confident81.3Confident187 Ų18785.9 Ų85.987%0.87446%0.461SS*.THydrogen-bonded Turntrans-65.5-1.9-173.8-71-168.4158.600115.1
683G74Confident81.7Confident48 Ų4884.1 Ų84.150%0.49545%0.447SS..THydrogen-bonded Turntrans-138.524.4-179.800000114.8L681 T685L681-G683 PolarHBondContact O-N 2.99Å; G683-T685 PolarHBondContact O-N 3.24Å
684L77.8Confident82Confident33 Ų3383.5 Ų83.517%0.17344%0.444CS..  trans-80.9108.1176.3-72166000110.6L634 F638 L681 C687 L691L634-L684 HydrophobicContact CD2-CD2 3.39Å; F638-L684 HydrophobicContact CE1-CD1 4.26Å; F638-L684 HydrophobicContact CE1-CD2 4.49Å; F638-L684 HydrophobicContact CZ-CD1 3.7Å; F638-L684 HydrophobicContact CZ-CD2 4.16Å; L681-L684 HydrophobicContact CB-CD1 4.41Å; L681-L684 HydrophobicContact CD2-CD1 3.51Å; L681-L684 PolarHBondContact O-N 3.2Å; L684-C687 HydrophobicContact CB-CB 4.41Å; L684-L691 HydrophobicContact CD1-CD2 4.44Å
685T78Confident82.1Confident142 Ų14286.1 Ų86.187%0.87146%0.455SS*.SBendtrans-90.7-27172.249.30000113G683G683-T685 PolarHBondContact O-N 3.24Å
686D80.3Confident82Confident99 Ų9983.6 Ų83.653%0.52944%0.44SS..SBendtrans-122.778.6-173.5-16524.4000111.1R630R630-D686 VanDerWaalsContact CD-CG 3.43Å; R630-D686 WeakPolarHBondContact CD-OD1 3.33Å; R630-D686 IonicContact NE-OD1 3.93Å; R630-D686 IonicContact NH1-OD1 3.44Å; R630-D686 PolarHBondContact NH1-OD1 2.61Å
687C84.1Confident81.8Confident43 Ų4381.3 Ų81.329%0.29143%0.432SS..  trans-137.6159.5177.8670000111.2R630 L634 L684R630-C687 PolarHBondContact NH1-O 2.97Å; R630-C687 VanDerWaalsContact NH1-O 3.07Å; L634-C687 HydrophobicContact CD1-CB 3.86Å; L684-C687 HydrophobicContact CB-CB 4.41Å
688P82.5Confident81.3Confident22 Ų2283.2 Ų83.214%0.14344%0.444CS..  trans-63.7162.7171.624.6-32.1000112L631 D690 L691L631-P688 HydrophobicContact CD2-CG 3.95Å; P688-D690 VanDerWaalsContact C-N 3.31Å; P688-D690 PolarHBondContact O-N 3.06Å; P688-L691 HydrophobicContact CG-CD1 4.38Å
689E84Confident80.8Confident201 Ų20187.1 Ų87.194%0.93946%0.457SS*.SBendtrans-58.7-43.6178.7-68.4-169.7159.500111.8
690D85.9Confident80.5Confident114 Ų11483.5 Ų83.561%0.6145%0.45SS*.SBendtrans-115118.9173.8-65.9-40.6000109.8P688 Y692P688-D690 VanDerWaalsContact C-N 3.31Å; P688-D690 PolarHBondContact O-N 3.06Å; D690-Y692 HydrophobicContact CB-CD2 4.45Å; D690-Y692 HydrophobicContact CB-CE2 3.69Å
691L87.9Confident80.1Confident46 Ų4680.9 Ų80.924%0.24144%0.437CS..  trans-109.1114.7174.3-17966.5000109.8L631 L634 F638 I669 L681 L684 P688 L693L631-L691 HydrophobicContact CD2-CD1 3.97Å; L634-L691 HydrophobicContact CD1-CD1 4.07Å; F638-L691 HydrophobicContact CE2-CD2 3.81Å; F638-L691 HydrophobicContact CZ-CD2 4.11Å; I669-L691 HydrophobicContact CD1-CD1 4.01Å; L681-L691 HydrophobicContact CD2-CD2 4.15Å; L684-L691 HydrophobicContact CD1-CD2 4.44Å; P688-L691 HydrophobicContact CG-CD1 4.38Å; L691-L693 HydrophobicContact CD2-CD2 4.34Å; L691-L693 HydrophobicContact CG-CD2 4.25Å; L691-L693 HydrophobicContact CG-CG 4.41Å
692Y89.8Confident79.6Confident88 Ų8882.7 Ų82.735%0.34545%0.447SS..  trans-94.3123.7177.7-64.6-91.4000109.9P664 A668 I669 D690P664-Y692 HydrophobicContact CB-CE2 3.99Å; A668-Y692 CarbonylContact C-O 3.6Å; A668-Y692 WeakPolarHBondContact CA-O 3.34Å; A668-Y692 WeakPolarHBondContact CB-O 3.29Å; I669-Y692 PolarHBondContact N-O 3.28Å; D690-Y692 HydrophobicContact CB-CD2 4.45Å; D690-Y692 HydrophobicContact CB-CE2 3.69Å
693L88.8Confident79Confident40 Ų4077.5 Ų77.521%0.20943%0.425CS..EExtended strand (participates in β ladder)trans-117.1132.5173.7-58.3174.9000108.2F638 I669 V671 L674 V677 L681 L691F638-L693 HydrophobicContact CD2-CD2 4.03Å; F638-L693 HydrophobicContact CE2-CD2 4.22Å; I669-L693 HydrophobicContact CB-CD2 3.87Å; I669-L693 HydrophobicContact CD1-CD2 4.31Å; I669-L693 WeakPolarHBondContact O-CA 3.25Å; V671-L693 HydrophobicContact CG2-CD2 4.31Å; L674-L693 HydrophobicContact CD2-CB 3.54Å; L674-L693 HydrophobicContact CD2-CD1 4.38Å; V677-L693 HydrophobicContact CB-CD1 4.32Å; V677-L693 HydrophobicContact CG1-CD1 3.63Å; L681-L693 HydrophobicContact CD2-CD1 4.36Å; L691-L693 HydrophobicContact CD2-CD2 4.34Å; L691-L693 HydrophobicContact CG-CD2 4.25Å; L691-L693 HydrophobicContact CG-CG 4.41Å
694I87.6Confident78.7Confident33 Ų3379.5 Ų79.517%0.16943%0.432CS..EExtended strand (participates in β ladder)trans-119.1129.1176.5-57.7170000108.1L643 Y662 A668 I669 V670 V671 F701L643-I694 HydrophobicContact CD1-CD1 4.49Å; L643-I694 HydrophobicContact CD2-CD1 4.02Å; Y662-I694 HydrophobicContact CD1-CD1 4.45Å; Y662-I694 HydrophobicContact CE1-CD1 4.36Å; A668-I694 HydrophobicContact CB-CD1 3.56Å; A668-I694 HydrophobicContact CB-CG1 3.8Å; I669-I694 PolarHBondContact O-N 3.25Å; V670-I694 CarbonylContact C-O 3.58Å; V670-I694 VanDerWaalsContact CA-O 3.28Å; V670-I694 WeakPolarHBondContact CA-O 3.29Å; V670-I694 HydrophobicContact CG2-CB 4.39Å; V671-I694 PolarHBondContact N-O 2.93Å; I694-F701 HydrophobicContact CB-CZ 4.47Å; I694-F701 HydrophobicContact CD1-CZ 4.45Å; I694-F701 HydrophobicContact CG2-CE2 3.87Å; I694-F701 HydrophobicContact CG2-CZ 3.72Å
695E85.5Confident78Confident112 Ų11282 Ų8252%0.52345%0.449SS..EExtended strand (participates in β ladder)trans-74.9126.7171.6-157.3173.4155.100109.5V671 L674V671-E695 VanDerWaalsContact O-CA 3.32Å; V671-E695 WeakPolarHBondContact O-CA 3.43Å; L674-E695 HydrophobicContact CD1-CB 3.83Å; L674-E695 HydrophobicContact CG-CB 3.82Å; L674-E695 HydrophobicContact CG-CG 4.22Å
696G81.1Confident77.8Confident19 Ų1978.2 Ų78.220%0.19642%0.42CS..SBendtrans177.6158.8177.100000113.1V670 V671 P698V670-G696 WeakPolarHBondContact CG1-O 3.16Å; V671-G696 PolarHBondContact O-N 2.7Å; G696-P698 WeakPolarHBondContact O-CD 3.48Å
697D76.3Confident77.8Confident80 Ų8076.9 Ų76.943%0.42842%0.418SS..  trans-80.7118.2169.6-172.6-13.8000109.1Q699 S700 F701D697-Q699 PolarHBondContact O-N 3.17Å; D697-Q699 VanDerWaalsContact O-N 3.08Å; D697-Q699 WeakPolarHBondContact OD1-CB 3.28Å; D697-Q699 PolarHBondContact OD1-N 2.94Å; D697-S700 CarbonylContact O-C 3.49Å; D697-S700 PolarHBondContact O-N 3.17Å; D697-S700 VanDerWaalsContact O-N 3.16Å; D697-F701 WeakPolarHBondContact O-CA 3.5Å; D697-F701 PolarHBondContact O-N 2.75Å; D697-F701 VanDerWaalsContact O-N 3.08Å
698P69.2Low77.7Confident44 Ų4476.7 Ų76.729%0.28642%0.416SS..THydrogen-bonded Turntrans-57.9-21.4176.3-22.833.5000114V641 I646 V670 G696V641-P698 HydrophobicContact CB-CB 4.35Å; V641-P698 HydrophobicContact CB-CG 4.39Å; V641-P698 HydrophobicContact CG2-CB 4.09Å; V641-P698 HydrophobicContact CG2-CG 4.02Å; I646-P698 HydrophobicContact CD1-CB 4.39Å; V670-P698 HydrophobicContact CG1-CG 4.46Å; G696-P698 WeakPolarHBondContact O-CD 3.48Å
699Q69.4Low77.8Confident164 Ų16479.3 Ų79.377%0.76643%0.429SS*.THydrogen-bonded Turntrans-88.3-20.4-179-59.1-171.74.400113.7D697D697-Q699 PolarHBondContact O-N 3.17Å; D697-Q699 VanDerWaalsContact O-N 3.08Å; D697-Q699 WeakPolarHBondContact OD1-CB 3.28Å; D697-Q699 PolarHBondContact OD1-N 2.94Å
700S69.3Low77.9Confident88 Ų8875.9 Ų75.962%0.61541%0.413SS*.SBendtrans-145.357.1-179.366.50000110.2D697 D702D697-S700 CarbonylContact O-C 3.49Å; D697-S700 PolarHBondContact O-N 3.17Å; D697-S700 VanDerWaalsContact O-N 3.16Å; S700-D702 PolarHBondContact O-N 3.45Å
701F71.6Confident77.9Confident28 Ų2874.6 Ų74.612%0.12341%0.405CS..  trans-71.2127.8-179.6-163-102.7000109.8L643 I646 Y647 Y662 V670 I694 D697L643-F701 HydrophobicContact CD1-CD1 4.29Å; L643-F701 HydrophobicContact CD1-CE1 3.61Å; L643-F701 HydrophobicContact CD1-CE2 4.49Å; L643-F701 HydrophobicContact CD1-CZ 3.72Å; I646-F701 HydrophobicContact CD1-CB 4.42Å; I646-F701 HydrophobicContact CD1-CD2 4.17Å; I646-F701 HydrophobicContact CD1-CG 4.23Å; I646-F701 HydrophobicContact CG2-CB 3.92Å; I646-F701 HydrophobicContact CG2-CD1 4.46Å; I646-F701 HydrophobicContact CG2-CG 4.32Å; Y647-F701 HydrophobicContact CE2-CD1 4.45Å; Y647-F701 HydrophobicContact CE2-CE1 4.39Å; Y662-F701 WeakPolarHBondContact OH-CE1 3.48Å; V670-F701 HydrophobicContact CB-CE2 4.28Å; V670-F701 HydrophobicContact CG1-CD2 3.74Å; V670-F701 HydrophobicContact CG1-CE2 3.57Å; V670-F701 HydrophobicContact CG2-CD2 4.25Å; V670-F701 HydrophobicContact CG2-CE2 3.66Å; V670-F701 HydrophobicContact CG2-CZ 4.02Å; I694-F701 HydrophobicContact CB-CZ 4.47Å; I694-F701 HydrophobicContact CD1-CZ 4.45Å; I694-F701 HydrophobicContact CG2-CE2 3.87Å; I694-F701 HydrophobicContact CG2-CZ 3.72Å; D697-F701 WeakPolarHBondContact O-CA 3.5Å; D697-F701 PolarHBondContact O-N 2.75Å; D697-F701 VanDerWaalsContact O-N 3.08Å
702D71.6Confident77.9Confident106 Ų10681.3 Ų81.357%0.56744%0.436SS*.  trans-87.5119.6-178.1-172.6-10.8000110.2S700 S704 V705S700-D702 PolarHBondContact O-N 3.45Å; D702-S704 VanDerWaalsContact CG-OG 3.27Å; D702-S704 PolarHBondContact O-N 3.28Å; D702-S704 WeakPolarHBondContact OD1-CB 3.47Å; D702-S704 PolarHBondContact OD1-N 2.85Å; D702-S704 PolarHBondContact OD1-OG 3.35Å; D702-S704 PolarHBondContact OD2-OG 3.17Å; D702-V705 VanDerWaalsContact O-CG2 3.32Å; D702-V705 WeakPolarHBondContact O-CG2 3.44Å
703D65.1Low77.9Confident77 Ų7784.6 Ų84.641%0.41245%0.451SS..SBendtrans-73.1-14-178.1-64.5-19.8000113.2Y647 V705Y647-D703 WeakPolarHBondContact CE1-OD1 3.43Å; Y647-D703 VanDerWaalsContact CZ-OD1 3.3Å; Y647-D703 PolarHBondContact OH-OD1 2.98Å; D703-V705 PolarHBondContact O-N 2.9Å; D703-V705 VanDerWaalsContact O-N 3.08Å
704S66.2Low78Confident90 Ų9082.7 Ų82.763%0.62944%0.442SS*.THydrogen-bonded Turntrans-84.929.4-16967.50000115.3D702 F706D702-S704 VanDerWaalsContact CG-OG 3.27Å; D702-S704 PolarHBondContact O-N 3.28Å; D702-S704 WeakPolarHBondContact OD1-CB 3.47Å; D702-S704 PolarHBondContact OD1-N 2.85Å; D702-S704 PolarHBondContact OD1-OG 3.35Å; D702-S704 PolarHBondContact OD2-OG 3.17Å; S704-F706 PolarHBondContact O-N 3.3Å
705V64.6Low78.2Confident87 Ų8781.1 Ų81.153%0.52743%0.434SS..THydrogen-bonded Turntrans-70.7-31.1-173.3-172.80000113.3D702 D703D702-V705 VanDerWaalsContact O-CG2 3.32Å; D702-V705 WeakPolarHBondContact O-CG2 3.44Å; D703-V705 PolarHBondContact O-N 2.9Å; D703-V705 VanDerWaalsContact O-N 3.08Å
706F73.9Confident78.3Confident61 Ų6176.8 Ų76.827%0.26842%0.415SS..SBendtrans-115.1142.6-171.7-59.8-70.6000112.9L661 Y662 S704 V708 V717L661-F706 HydrophobicContact CD1-CB 4.25Å; L661-F706 HydrophobicContact CD1-CD2 4.07Å; L661-F706 HydrophobicContact CG-CD2 4.23Å; Y662-F706 AromaticContact CD1-CE2 3.79Å; Y662-F706 HydrophobicContact CD1-CE2 3.79Å; Y662-F706 HydrophobicContact CD1-CZ 4.46Å; Y662-F706 AromaticContact CE1-CE2 3.75Å; Y662-F706 HydrophobicContact CE1-CE2 3.75Å; S704-F706 PolarHBondContact O-N 3.3Å; F706-V708 HydrophobicContact CB-CG2 3.85Å; F706-V717 HydrophobicContact CB-CG1 3.77Å; F706-V717 HydrophobicContact CD1-CG1 3.78Å; F706-V717 HydrophobicContact CG-CG1 3.82Å
707S78.7Confident78.7Confident71 Ų7175.9 Ų75.950%0.49741%0.406SS..EExtended strand (participates in β ladder)trans-82.6120163.788.80000109.4K718S707-K718 PolarHBondContact O-N 3.37Å; S707-K718 WeakPolarHBondContact OG-CB 3.32Å
708V82.3Confident79.1Confident40 Ų4075.3 Ų75.324%0.24240%0.399CS..EExtended strand (participates in β ladder)trans-128.6136.7-167.3-174.70000110.5L661 F706 V715 V716 V717L661-V708 HydrophobicContact CD1-CB 4.48Å; L661-V708 HydrophobicContact CD1-CG1 4.4Å; L661-V708 HydrophobicContact CD1-CG2 3.3Å; F706-V708 HydrophobicContact CB-CG2 3.85Å; V708-V715 HydrophobicContact CG1-CB 3.9Å; V708-V715 HydrophobicContact CG1-CG1 3.86Å; V708-V716 WeakPolarHBondContact CA-O 3.32Å; V708-V717 HydrophobicContact CG2-CG2 4.34Å
709D85.9Confident79.7Confident77 Ų7777.7 Ų77.741%0.41241%0.409SS..EExtended strand (participates in β ladder)trans-108111.6163.7-62.3-39.6000107.9V716 K718D709-V716 HydrophobicContact CB-CB 4.37Å; D709-V716 PolarHBondContact N-O 2.86Å; D709-V716 PolarHBondContact O-N 2.94Å; D709-K718 IonicContact OD1-NZ 3.14Å; D709-K718 VanDerWaalsContact OD2-CE 3.28Å; D709-K718 WeakPolarHBondContact OD2-CE 3.48Å; D709-K718 IonicContact OD2-NZ 3.72Å; D709-K718 PolarHBondContact OD2-NZ 2.95Å
710E84.4Confident80.2Confident128 Ų12872.1 Ų72.160%0.59839%0.391SS*.EExtended strand (participates in β ladder)trans-78.8132.9177.8-169177.8174.500111Y657 V715Y657-E710 HydrophobicContact CD2-CG 4.46Å; Y657-E710 HydrophobicContact CE2-CG 4.19Å; E710-V715 HydrophobicContact CB-CG1 4.48Å; E710-V715 HydrophobicContact CG-CG1 4.23Å
711L87.5Confident80.8Confident88 Ų8876.1 Ų76.146%0.46141%0.405SS..EExtended strand (participates in β ladder)trans-118.1168176.5-62.2176.7000109.4K713 A714 V716 Y726L711-K713 PolarHBondContact O-N 2.83Å; L711-A714 CarbonylContact C-O 3.59Å; L711-A714 WeakPolarHBondContact CA-O 3.17Å; L711-A714 HydrophobicContact CB-CB 4.32Å; L711-A714 PolarHBondContact N-O 3.29Å; L711-A714 PolarHBondContact O-N 3.3Å; L711-V716 HydrophobicContact CD1-CG2 3.64Å; L711-V716 HydrophobicContact CG-CG2 4.34Å; L711-Y726 HydrophobicContact CD1-CD2 4.38Å; L711-Y726 HydrophobicContact CD1-CE2 4.16Å
712E87.8Confident81.5Confident187 Ų18786.3 Ų86.387%0.87444%0.443SS*.THydrogen-bonded Turntrans-60.6112.4174.5-165.9179.9173.900110.7A714E712-A714 PolarHBondContact O-N 3.39Å
713K88.4Confident82.3Confident156 Ų15687.1 Ų87.168%0.67844%0.443SS*.THydrogen-bonded Turntrans58.724-176.5-58.8-174.5176.8-1750115.6L711 F729L711-K713 PolarHBondContact O-N 2.83Å; K713-F729 HydrophobicContact CB-CD2 4.3Å; K713-F729 PolarHBondContact O-N 3.26Å
714A91.4Very high83.5Confident1 Ų191.8 Ų91.81%0.00846%0.455CS..EExtended strand (participates in β ladder)trans-156.3162177.500000111.7L711 E712 Y726 S727 R728L711-A714 CarbonylContact C-O 3.59Å; L711-A714 WeakPolarHBondContact CA-O 3.17Å; L711-A714 HydrophobicContact CB-CB 4.32Å; L711-A714 PolarHBondContact N-O 3.29Å; L711-A714 PolarHBondContact O-N 3.3Å; E712-A714 PolarHBondContact O-N 3.39Å; A714-Y726 HydrophobicContact CB-CD2 4.28Å; A714-Y726 HydrophobicContact CB-CE2 3.45Å; A714-Y726 VanDerWaalsContact CB-CE2 3.45Å; A714-S727 CarbonylContact C-O 3.59Å; A714-S727 VanDerWaalsContact CA-O 3.25Å; A714-S727 WeakPolarHBondContact CA-O 3.23Å; A714-S727 WeakPolarHBondContact CB-O 3.49Å; A714-R728 HydrophobicContact CB-CG 4.41Å
715V91.6Very high84.6Confident0 Ų089.5 Ų89.50%043%0.433CS..EExtended strand (participates in β ladder)trans-125.4142.9172.2-770000110.1Y657 A660 V708 E710 V717 S727 F729Y657-V715 HydrophobicContact CD2-CG1 3.79Å; Y657-V715 HydrophobicContact CE2-CG1 3.55Å; A660-V715 HydrophobicContact CB-CG2 3.69Å; V708-V715 HydrophobicContact CG1-CB 3.9Å; V708-V715 HydrophobicContact CG1-CG1 3.86Å; E710-V715 HydrophobicContact CB-CG1 4.48Å; E710-V715 HydrophobicContact CG-CG1 4.23Å; V715-V717 HydrophobicContact CB-CG2 4.45Å; V715-V717 HydrophobicContact CG2-CG2 4.22Å; V715-S727 PolarHBondContact N-O 2.81Å; V715-S727 PolarHBondContact O-N 3.45Å; V715-F729 HydrophobicContact CG1-CE1 4Å
716V88.8Confident86Confident21 Ų2191.6 Ų91.613%0.12743%0.432CS..EExtended strand (participates in β ladder)trans-106.2109.4166.8178.70000107.9V708 D709 L711 W724 R725 Y726V708-V716 WeakPolarHBondContact CA-O 3.32Å; D709-V716 HydrophobicContact CB-CB 4.37Å; D709-V716 PolarHBondContact N-O 2.86Å; D709-V716 PolarHBondContact O-N 2.94Å; L711-V716 HydrophobicContact CD1-CG2 3.64Å; L711-V716 HydrophobicContact CG-CG2 4.34Å; V716-W724 HydrophobicContact CG1-CB 4.1Å; V716-W724 HydrophobicContact CG1-CD2 4.41Å; V716-W724 HydrophobicContact CG1-CE3 4.35Å; V716-W724 HydrophobicContact CG1-CG 4.34Å; V716-R725 CarbonylContact C-O 3.58Å; V716-R725 WeakPolarHBondContact CA-O 3.24Å; V716-Y726 HydrophobicContact CG2-CD2 4.05Å
717V88.3Confident86.8Confident0 Ų089.6 Ų89.60%043%0.425CS..EExtended strand (participates in β ladder)trans-98.6120.9-179.4-177.80000108.9L661 F706 V708 V715 I719 W724 R725L661-V717 HydrophobicContact CD1-CG2 4.11Å; F706-V717 HydrophobicContact CB-CG1 3.77Å; F706-V717 HydrophobicContact CD1-CG1 3.78Å; F706-V717 HydrophobicContact CG-CG1 3.82Å; V708-V717 HydrophobicContact CG2-CG2 4.34Å; V715-V717 HydrophobicContact CB-CG2 4.45Å; V715-V717 HydrophobicContact CG2-CG2 4.22Å; V717-I719 HydrophobicContact CG1-CG1 4.48Å; V717-I719 PolarHBondContact O-N 2.9Å; V717-W724 CarbonylContact O-C 3.4Å; V717-W724 WeakPolarHBondContact O-CA 3.41Å; V717-R725 HydrophobicContact CB-CB 4.48Å; V717-R725 PolarHBondContact N-O 3.15Å; V717-R725 PolarHBondContact O-N 3.46Å
718K85Confident87.5Confident67 Ų6794.9 Ų94.929%0.29144%0.435SS..EExtended strand (participates in β ladder)trans-84.999.6174.6-46.9-176.3172.3129.40108.6S707 D709 W724S707-K718 PolarHBondContact O-N 3.37Å; S707-K718 WeakPolarHBondContact OG-CB 3.32Å; D709-K718 IonicContact OD1-NZ 3.14Å; D709-K718 VanDerWaalsContact OD2-CE 3.28Å; D709-K718 WeakPolarHBondContact OD2-CE 3.48Å; D709-K718 IonicContact OD2-NZ 3.72Å; D709-K718 PolarHBondContact OD2-NZ 2.95Å; K718-W724 HydrophobicContact CG-CG 4.3Å
719I81.6Confident87.9Confident95 Ų9595.5 Ų95.549%0.48743%0.434SS..EExtended strand (participates in β ladder)trans-71.7-37.6-179.6-60.1174.5000110.2V717 Q723 R725V717-I719 HydrophobicContact CG1-CG1 4.48Å; V717-I719 PolarHBondContact O-N 2.9Å; I719-Q723 PolarHBondContact N-O 3.4Å; I719-R725 HydrophobicContact CD1-CB 3.7Å; I719-R725 HydrophobicContact CG1-CB 4.24Å
720A81.2Confident87.8Confident47 Ų4794 Ų9439%0.38843%0.428SS..EExtended strand (participates in β ladder)trans-152.4169.9175.700000110.3R722 Q723A720-R722 PolarHBondContact O-N 3.47Å; A720-Q723 HydrophobicContact CB-CB 4.22Å; A720-Q723 PolarHBondContact N-O 3.01Å; A720-Q723 PolarHBondContact O-N 3.36Å; A720-Q723 VanDerWaalsContact O-O 3.07Å
721D80.4Confident87.5Confident171 Ų17197.3 Ų97.391%0.91444%0.444SS*.THydrogen-bonded Turntrans-52.3-27-179-70.7-16.1000114.6
722R87.7Confident86.8Confident243 Ų24396.7 Ų96.792%0.91744%0.443SS*.THydrogen-bonded Turntrans-118.313.7179-65.2-171.8172.8-173.6-1.5114.2A720A720-R722 PolarHBondContact O-N 3.47Å
723Q87.6Confident86.5Confident122 Ų12288.5 Ų88.557%0.5741%0.406SS*.EExtended strand (participates in β ladder)trans-139.5118.4-176-67-175.9-9.300111.7I719 A720I719-Q723 PolarHBondContact N-O 3.4Å; A720-Q723 HydrophobicContact CB-CB 4.22Å; A720-Q723 PolarHBondContact N-O 3.01Å; A720-Q723 PolarHBondContact O-N 3.36Å; A720-Q723 VanDerWaalsContact O-O 3.07Å
724W89.6Confident86Confident176 Ų17682 Ų8267%0.66738%0.379SS*.EExtended strand (participates in β ladder)trans-115.5144.4173.9-61.9-11.5000110.1V716 V717 K718V716-W724 HydrophobicContact CG1-CB 4.1Å; V716-W724 HydrophobicContact CG1-CD2 4.41Å; V716-W724 HydrophobicContact CG1-CE3 4.35Å; V716-W724 HydrophobicContact CG1-CG 4.34Å; V717-W724 CarbonylContact O-C 3.4Å; V717-W724 WeakPolarHBondContact O-CA 3.41Å; K718-W724 HydrophobicContact CG-CG 4.3Å
725R90.5Very high85.6Confident42 Ų4282 Ų8216%0.15838%0.379CS..EExtended strand (participates in β ladder)trans-113.9121170.8-171.8-173.877-146.1-0.5109.3A660 L661 Y662 V716 V717 I719 S727A660-R725 PolarHBondContact O-NH2 3.22Å; L661-R725 PolarHBondContact O-NH2 2.9Å; Y662-R725 PolarHBondContact O-NH1 3.36Å; V716-R725 CarbonylContact C-O 3.58Å; V716-R725 WeakPolarHBondContact CA-O 3.24Å; V717-R725 HydrophobicContact CB-CB 4.48Å; V717-R725 PolarHBondContact N-O 3.15Å; V717-R725 PolarHBondContact O-N 3.46Å; I719-R725 HydrophobicContact CD1-CB 3.7Å; I719-R725 HydrophobicContact CG1-CB 4.24Å; R725-S727 PolarHBondContact NE-OG 3.08Å
726Y92.7Very high84.9Confident130 Ų13082 Ų8251%0.5138%0.379SS..EExtended strand (participates in β ladder)trans-89.7126.5167172.1-99.9000108.7L711 A714 V716 R728L711-Y726 HydrophobicContact CD1-CD2 4.38Å; L711-Y726 HydrophobicContact CD1-CE2 4.16Å; A714-Y726 HydrophobicContact CB-CD2 4.28Å; A714-Y726 HydrophobicContact CB-CE2 3.45Å; A714-Y726 VanDerWaalsContact CB-CE2 3.45Å; V716-Y726 HydrophobicContact CG2-CD2 4.05Å; Y726-R728 HydrophobicContact CE1-CG 3.69Å; Y726-R728 WeakPolarHBondContact OH-CG 3.44Å; Y726-R728 PolarHBondContact OH-NE 3.35Å
727S92.2Very high84.1Confident19 Ų1987.4 Ų87.413%0.13340%0.397CS..EExtended strand (participates in β ladder)trans-134.6121.7178.5-63.10000109.4A660 A714 V715 R725A660-S727 WeakPolarHBondContact O-CB 3.47Å; A714-S727 CarbonylContact C-O 3.59Å; A714-S727 VanDerWaalsContact CA-O 3.25Å; A714-S727 WeakPolarHBondContact CA-O 3.23Å; A714-S727 WeakPolarHBondContact CB-O 3.49Å; V715-S727 PolarHBondContact N-O 2.81Å; V715-S727 PolarHBondContact O-N 3.45Å; R725-S727 PolarHBondContact NE-OG 3.08Å
728R93.2Very high83.1Confident183 Ų18389.9 Ų89.969%0.69142%0.418SS*.EExtended strand (participates in β ladder)trans-74.7152.6171.9-64.5-174.8-165.5158.18.2109.6A714 Y726 P730A714-R728 HydrophobicContact CB-CG 4.41Å; Y726-R728 HydrophobicContact CE1-CG 3.69Å; Y726-R728 WeakPolarHBondContact OH-CG 3.44Å; Y726-R728 PolarHBondContact OH-NE 3.35Å; R728-P730 WeakPolarHBondContact O-CD 3.38Å
729F90.3Very high82.4Confident53 Ų5387.3 Ų87.323%0.23241%0.409CS..PPolyproline II helixtrans-60.4122169.1-68.9-1.7000108.7P656 Y657 A660 K713 V715P656-F729 HydrophobicContact CB-CB 3.77Å; P656-F729 HydrophobicContact CB-CD2 4.3Å; P656-F729 HydrophobicContact CB-CG 4.09Å; Y657-F729 AromaticContact CD2-CE1 3.96Å; Y657-F729 HydrophobicContact CD2-CE1 3.96Å; Y657-F729 AromaticContact CD2-CZ 3.84Å; Y657-F729 HydrophobicContact CD2-CZ 3.84Å; Y657-F729 HydrophobicContact CG-CE1 4.49Å; Y657-F729 HydrophobicContact CG-CZ 4.43Å; A660-F729 HydrophobicContact CB-CD1 3.8Å; A660-F729 HydrophobicContact CB-CE1 4.36Å; K713-F729 HydrophobicContact CB-CD2 4.3Å; K713-F729 PolarHBondContact O-N 3.26Å; V715-F729 HydrophobicContact CG1-CE1 4Å
730P84.7Confident82.1Confident44 Ų4484.1 Ų84.129%0.28639%0.391SS..PPolyproline II helixtrans-66.2138.3176.127.6-31.5000109P656 R728 V732 P733P656-P730 VanDerWaalsContact O-CD 3.28Å; P656-P730 WeakPolarHBondContact O-CD 3.25Å; R728-P730 WeakPolarHBondContact O-CD 3.38Å; P730-V732 PolarHBondContact O-N 2.9Å; P730-P733 HydrophobicContact CG-CB 4.35Å
731E76.3Confident81.8Confident199 Ų19985.8 Ų85.893%0.9339%0.391SS*.SBendtrans-61.9-31.2173.1-66.8-175.4172.200111.3
732V73.9Confident81.6Confident74 Ų7480.4 Ų80.445%0.44837%0.366SS..SBendtrans-11993.4174.8-171.70000108.8L620 P730L620-V732 HydrophobicContact CD2-CG1 4.4Å; P730-V732 PolarHBondContact O-N 2.9Å
733P80.8Confident81.2Confident15 Ų1572.5 Ų72.510%0.09734%0.336CS..  trans-68.6143176.227.7-33.6000111.5A655 P656 S659 P730 A739A655-P733 VanDerWaalsContact C-CB 3.46Å; A655-P733 HydrophobicContact CB-CB 3.86Å; A655-P733 HydrophobicContact CB-CG 3.79Å; A655-P733 WeakPolarHBondContact O-CB 3.34Å; P656-P733 HydrophobicContact CG-CB 4.38Å; P656-P733 HydrophobicContact CG-CG 4.07Å; S659-P733 WeakPolarHBondContact OG-CB 3.32Å; P730-P733 HydrophobicContact CG-CB 4.35Å; P733-A739 HydrophobicContact CG-CB 4.13Å
734L78.2Confident80.8Confident20 Ų2067.8 Ų67.811%0.10532%0.315CS..SBendtrans-71.9-35.7174.2179.668.5000111.2G625 S659 R666 H667G625-L734 VanDerWaalsContact C-CD1 3.46Å; G625-L734 WeakPolarHBondContact O-CD1 3.43Å; S659-L734 PolarHBondContact OG-N 3.49Å; R666-L734 HydrophobicContact CB-CD2 4.15Å; R666-L734 HydrophobicContact CG-CD2 3.8Å; H667-L734 VanDerWaalsContact CE1-CD2 3.5Å; H667-L734 WeakPolarHBondContact CE1-CD2 3.41Å
735F83.8Confident80.4Confident0 Ų066 Ų660%031%0.314CS..SBendtrans-83.2156.7-175.7-57.7-29.1000112.4L643 Y647 A655 F658 Y662 R666L643-F735 HydrophobicContact CD2-CZ 3.91Å; L643-F735 HydrophobicContact CG-CE1 4.47Å; L643-F735 HydrophobicContact CG-CZ 4.03Å; Y647-F735 HydrophobicContact CD2-CD2 4.36Å; Y647-F735 HydrophobicContact CD2-CE2 4.13Å; Y647-F735 HydrophobicContact CD2-CZ 4.25Å; Y647-F735 HydrophobicContact CG-CD2 4.39Å; A655-F735 VanDerWaalsContact CB-O 3.25Å; A655-F735 WeakPolarHBondContact CB-O 3.46Å; F658-F735 HydrophobicContact CB-CD2 3.76Å; F658-F735 HydrophobicContact CB-CE2 4.29Å; Y662-F735 AromaticContact CD2-CE2 3.77Å; Y662-F735 HydrophobicContact CD2-CE2 3.77Å; Y662-F735 HydrophobicContact CD2-CZ 4.3Å; Y662-F735 HydrophobicContact CG-CE2 4.39Å; R666-F735 HydrophobicContact CB-CE1 4.05Å; R666-F735 HydrophobicContact CB-CE2 4.08Å; R666-F735 HydrophobicContact CB-CZ 3.52Å; R666-F735 WeakPolarHBondContact O-CE1 3.38Å
736G76.1Confident80.1Confident0 Ų066.5 Ų66.50%032%0.324CS..  trans82.7111.3-179.400000113.7Y647 D648 A738 A739 R740Y647-G736 PolarHBondContact O-N 3.44Å; D648-G736 CarbonylContact O-C 3.51Å; D648-G736 WeakPolarHBondContact O-CA 3.32Å; G736-A738 VanDerWaalsContact C-N 3.34Å; G736-A738 PolarHBondContact O-N 2.86Å; G736-A739 PolarHBondContact O-N 3.45Å; G736-R740 PolarHBondContact O-N 3.44Å
737R71.4Confident79.9Confident135 Ų13560.3 Ų60.351%0.50930%0.3SS..Hα-helixtrans-60.3-43172.8-174.8173.3172.4-157.3-11.3112D648 A739 R740 E741D648-R737 WeakPolarHBondContact O-CB 3.31Å; D648-R737 PolarHBondContact O-N 3.2Å; D648-R737 WeakPolarHBondContact OD1-CB 3.4Å; D648-R737 PolarHBondContact OD1-N 2.91Å; R737-A739 VanDerWaalsContact C-N 3.32Å; R737-A739 PolarHBondContact O-N 3.42Å; R737-R740 PolarHBondContact O-N 2.91Å; R737-E741 HydrophobicContact CG-CG 4.15Å; R737-E741 IonicContact CZ-OE1 3.53Å; R737-E741 IonicContact NE-OE1 3.52Å; R737-E741 PolarHBondContact NE-OE1 3.15Å; R737-E741 IonicContact NE-OE2 3.98Å; R737-E741 IonicContact NH2-OE1 2.89Å; R737-E741 PolarHBondContact NH2-OE1 2.89Å; R737-E741 WeakPolarHBondContact O-CB 3.38Å; R737-E741 WeakPolarHBondContact O-CG 3.14Å; R737-E741 PolarHBondContact O-N 2.99Å
738A68.9Low79.5Confident53 Ų5362.7 Ų62.744%0.43831%0.308SS..Hα-helixtrans-62.2-38.618000000112.2G736 S742G736-A738 VanDerWaalsContact C-N 3.34Å; G736-A738 PolarHBondContact O-N 2.86Å; A738-S742 WeakPolarHBondContact O-CB 3.38Å; A738-S742 PolarHBondContact O-N 3.43Å
739A69.9Low79Confident13 Ų1356.7 Ų56.711%0.10730%0.298CS..Hα-helixtrans-65.2-45.3175.500000111.4L652 A655 P733 G736 R737 R743L652-A739 HydrophobicContact CD1-CB 4.44Å; L652-A739 HydrophobicContact CG-CB 4.06Å; A655-A739 HydrophobicContact CB-CB 4.27Å; P733-A739 HydrophobicContact CG-CB 4.13Å; G736-A739 PolarHBondContact O-N 3.45Å; R737-A739 VanDerWaalsContact C-N 3.32Å; R737-A739 PolarHBondContact O-N 3.42Å; A739-R743 WeakPolarHBondContact O-CB 3.17Å; A739-R743 PolarHBondContact O-N 3.3Å
740R75.5Confident78.9Confident27 Ų2757 Ų5710%0.10230%0.3CS..Hα-helixtrans-64.2-46.5176.6-68.8-171.8-68.5141.9-6.5112.5D648 G736 R737 R743 I744D648-R740 IonicContact OD1-CZ 3.93Å; D648-R740 IonicContact OD1-NH2 2.67Å; D648-R740 PolarHBondContact OD1-NH2 3.42Å; D648-R740 IonicContact OD2-NH2 3.69Å; G736-R740 PolarHBondContact O-N 3.44Å; R737-R740 PolarHBondContact O-N 2.91Å; R740-R743 PolarHBondContact O-N 3.18Å; R740-I744 VanDerWaalsContact O-CG1 3.3Å; R740-I744 WeakPolarHBondContact O-CG1 3.32Å; R740-I744 PolarHBondContact O-N 3.31Å
741E74.3Confident78.9Confident83 Ų8356.8 Ų56.839%0.38829%0.294SS..Hα-helixtrans-63.3-43.6178-74.2-178.616700111.4R737 R743 I744 E745R737-E741 HydrophobicContact CG-CG 4.15Å; R737-E741 IonicContact CZ-OE1 3.53Å; R737-E741 IonicContact NE-OE1 3.52Å; R737-E741 PolarHBondContact NE-OE1 3.15Å; R737-E741 IonicContact NE-OE2 3.98Å; R737-E741 IonicContact NH2-OE1 2.89Å; R737-E741 PolarHBondContact NH2-OE1 2.89Å; R737-E741 WeakPolarHBondContact O-CB 3.38Å; R737-E741 WeakPolarHBondContact O-CG 3.14Å; R737-E741 PolarHBondContact O-N 2.99Å; E741-R743 VanDerWaalsContact C-N 3.3Å; E741-R743 PolarHBondContact O-N 3Å; E741-I744 PolarHBondContact O-N 2.86Å; E741-E745 WeakPolarHBondContact O-CG 3.24Å; E741-E745 PolarHBondContact O-N 3Å
742S75.7Confident79.1Confident58 Ų5851.3 Ų51.341%0.40627%0.268SS..Hα-helixtrans-60.5-39.4174.5-178.30000112.2A738 E745 S746A738-S742 WeakPolarHBondContact O-CB 3.38Å; A738-S742 PolarHBondContact O-N 3.43Å; S742-E745 PolarHBondContact O-N 3.32Å; S742-S746 PolarHBondContact O-N 3.38Å
743R80Confident79.6Confident76 Ų7652.3 Ų52.329%0.28727%0.274SS..Hα-helixtrans-65.6-46.2174.2-179.260.4179.2164.9-0.7111.5E616 L620 A739 R740 E741 E745 S746 L747E616-R743 IonicContact OE1-CZ 2.86Å; E616-R743 IonicContact OE1-NE 2.7Å; E616-R743 PolarHBondContact OE1-NE 3.42Å; E616-R743 IonicContact OE1-NH2 2.75Å; E616-R743 PolarHBondContact OE1-NH2 3.17Å; E616-R743 IonicContact OE2-NH2 2.72Å; L620-R743 HydrophobicContact CD1-CB 4.17Å; L620-R743 HydrophobicContact CD1-CG 3.51Å; A739-R743 WeakPolarHBondContact O-CB 3.17Å; A739-R743 PolarHBondContact O-N 3.3Å; R740-R743 PolarHBondContact O-N 3.18Å; E741-R743 VanDerWaalsContact C-N 3.3Å; E741-R743 PolarHBondContact O-N 3Å; R743-E745 VanDerWaalsContact C-N 3.27Å; R743-E745 PolarHBondContact O-N 3.4Å; R743-S746 PolarHBondContact O-N 3.44Å; R743-S746 VanDerWaalsContact O-N 3.11Å; R743-S746 PolarHBondContact O-OG 2.82Å; R743-L747 HydrophobicContact CG-CD1 4.02Å; R743-L747 HydrophobicContact CG-CG 4.36Å; R743-L747 WeakPolarHBondContact O-CB 3.43Å; R743-L747 WeakPolarHBondContact O-CG 3.35Å; R743-L747 PolarHBondContact O-N 2.89Å
744I79.4Confident79.9Confident24 Ų2452.5 Ų52.512%0.12327%0.274CS..Hα-helixtrans-57.8-41.4175.9-70.3165.7000110.7I617 L620 R740 E741 L747 H748I617-I744 HydrophobicContact CG2-CG2 4.4Å; L620-I744 HydrophobicContact CB-CD1 3.87Å; L620-I744 HydrophobicContact CB-CG1 3.72Å; L620-I744 HydrophobicContact CD1-CG1 4.25Å; R740-I744 VanDerWaalsContact O-CG1 3.3Å; R740-I744 WeakPolarHBondContact O-CG1 3.32Å; R740-I744 PolarHBondContact O-N 3.31Å; E741-I744 PolarHBondContact O-N 2.86Å; I744-L747 PolarHBondContact O-N 3.25Å; I744-H748 WeakPolarHBondContact O-CB 3.42Å; I744-H748 PolarHBondContact O-CD2 3.21Å; I744-H748 VanDerWaalsContact O-CD2 3.26Å; I744-H748 PolarHBondContact O-N 3.31Å
745E81.2Confident80Confident138 Ų13852.7 Ų52.765%0.64528%0.277SS*.Hα-helixtrans-61.9-44.7174.2-74.4-179.1176.200112.1E741 S742 R743 L747 H748 A749E741-E745 WeakPolarHBondContact O-CG 3.24Å; E741-E745 PolarHBondContact O-N 3Å; S742-E745 PolarHBondContact O-N 3.32Å; R743-E745 VanDerWaalsContact C-N 3.27Å; R743-E745 PolarHBondContact O-N 3.4Å; E745-L747 VanDerWaalsContact C-N 3.34Å; E745-L747 PolarHBondContact O-N 3.3Å; E745-H748 PolarHBondContact O-N 3.28Å; E745-A749 PolarHBondContact O-N 2.93Å
746S84.6Confident79.7Confident52 Ų5259.3 Ų59.336%0.36431%0.308SS..Hα-helixtrans-63.7-38.5176.274.40000112.6S742 R743 A749 E750S742-S746 PolarHBondContact O-N 3.38Å; R743-S746 PolarHBondContact O-N 3.44Å; R743-S746 VanDerWaalsContact O-N 3.11Å; R743-S746 PolarHBondContact O-OG 2.82Å; S746-A749 PolarHBondContact O-N 2.91Å; S746-E750 PolarHBondContact O-N 3.43Å
747L87.3Confident80.1Confident0 Ų065 Ų650%033%0.33CS..Hα-helixtrans-69.8-37.5176.4-72.2171.2000111.4V613 E616 I617 L620 R743 I744 E745 A749 E750 R751V613-L747 HydrophobicContact CG1-CB 4.11Å; V613-L747 HydrophobicContact CG1-CD2 4.06Å; V613-L747 WeakPolarHBondContact CG1-O 3.42Å; V613-L747 HydrophobicContact CG2-CD2 4.42Å; E616-L747 HydrophobicContact CB-CD1 4.06Å; E616-L747 HydrophobicContact CG-CD1 3.73Å; I617-L747 HydrophobicContact CD1-CB 3.96Å; I617-L747 HydrophobicContact CG1-CB 3.57Å; I617-L747 HydrophobicContact CG1-CD1 4.05Å; I617-L747 HydrophobicContact CG1-CG 4.45Å; L620-L747 HydrophobicContact CD1-CD1 3.69Å; R743-L747 HydrophobicContact CG-CD1 4.02Å; R743-L747 HydrophobicContact CG-CG 4.36Å; R743-L747 WeakPolarHBondContact O-CB 3.43Å; R743-L747 WeakPolarHBondContact O-CG 3.35Å; R743-L747 PolarHBondContact O-N 2.89Å; I744-L747 PolarHBondContact O-N 3.25Å; E745-L747 VanDerWaalsContact C-N 3.34Å; E745-L747 PolarHBondContact O-N 3.3Å; L747-A749 VanDerWaalsContact C-N 3.33Å; L747-E750 PolarHBondContact O-N 3.06Å; L747-R751 VanDerWaalsContact O-CB 3.25Å; L747-R751 WeakPolarHBondContact O-CB 3.3Å; L747-R751 PolarHBondContact O-N 2.88Å
748H83.3Confident80.7Confident69 Ų6961.6 Ų61.632%0.31932%0.319SS..Hα-helixtrans-61.4-42.9171.7-81-45.4000111.3I744 E745 R751 E752I744-H748 WeakPolarHBondContact O-CB 3.42Å; I744-H748 PolarHBondContact O-CD2 3.21Å; I744-H748 VanDerWaalsContact O-CD2 3.26Å; I744-H748 PolarHBondContact O-N 3.31Å; E745-H748 PolarHBondContact O-N 3.28Å; H748-R751 PolarHBondContact ND1-NH1 2.79Å; H748-R751 PolarHBondContact O-N 3.42Å; H748-E752 WeakPolarHBondContact O-CG 3.3Å; H748-E752 PolarHBondContact O-N 2.83Å
749A82.5Confident80.9Confident58 Ų5861.4 Ų61.448%0.47932%0.318SS..Hα-helixtrans-63.1-46174.900000112E745 S746 L747 R751 E752 V753E745-A749 PolarHBondContact O-N 2.93Å; S746-A749 PolarHBondContact O-N 2.91Å; L747-A749 VanDerWaalsContact C-N 3.33Å; A749-R751 VanDerWaalsContact C-N 3.34Å; A749-R751 PolarHBondContact O-N 2.81Å; A749-E752 PolarHBondContact O-N 3.49Å; A749-V753 WeakPolarHBondContact O-CG2 2.97Å; A749-V753 PolarHBondContact O-N 3.37Å; A749-V753 VanDerWaalsContact O-N 3.14Å
750E88.7Confident81.4Confident59 Ų5964.2 Ų64.228%0.27633%0.333SS..Hα-helixtrans-58.5-45.3174.6-174.3179.5165.500111R609 V613 S746 L747 E752 V753 L754R609-E750 IonicContact CZ-OE1 3.6Å; R609-E750 IonicContact NE-OE1 3.52Å; R609-E750 PolarHBondContact NE-OE1 3.38Å; R609-E750 VanDerWaalsContact NE-OE1 3.14Å; R609-E750 IonicContact NH2-OE1 2.95Å; R609-E750 PolarHBondContact NH2-OE1 3.04Å; R609-E750 IonicContact NH2-OE2 2.74Å; V613-E750 HydrophobicContact CG2-CG 4.35Å; S746-E750 PolarHBondContact O-N 3.43Å; L747-E750 PolarHBondContact O-N 3.06Å; E750-E752 PolarHBondContact O-N 3.03Å; E750-V753 PolarHBondContact O-N 3.44Å; E750-L754 HydrophobicContact CG-CD1 3.92Å; E750-L754 HydrophobicContact CG-CG 4.37Å; E750-L754 WeakPolarHBondContact O-CB 3.25Å; E750-L754 VanDerWaalsContact O-CG 3.27Å; E750-L754 WeakPolarHBondContact O-CG 3.39Å; E750-L754 PolarHBondContact O-N 3.5Å
751R85.5Confident81.7Confident39 Ų3963.5 Ų63.515%0.14733%0.332CS..Hα-helixtrans-61.3-43.8177.9-171.4-163.968.2-166.40.5112.6K610 V613 D614 I617 L747 H748 A749 V753 L754 S755K610-R751 HydrophobicContact CG-CG 4.21Å; V613-R751 HydrophobicContact CG1-CB 3.86Å; D614-R751 WeakPolarHBondContact OD1-CD 3.4Å; D614-R751 IonicContact OD1-NE 3.77Å; D614-R751 IonicContact OD1-NH1 3.17Å; D614-R751 PolarHBondContact OD1-NH1 2.99Å; I617-R751 HydrophobicContact CD1-CB 4.49Å; L747-R751 VanDerWaalsContact O-CB 3.25Å; L747-R751 WeakPolarHBondContact O-CB 3.3Å; L747-R751 PolarHBondContact O-N 2.88Å; H748-R751 PolarHBondContact ND1-NH1 2.79Å; H748-R751 PolarHBondContact O-N 3.42Å; A749-R751 VanDerWaalsContact C-N 3.34Å; A749-R751 PolarHBondContact O-N 2.81Å; R751-V753 VanDerWaalsContact C-N 3.34Å; R751-L754 PolarHBondContact O-N 3.47Å; R751-S755 VanDerWaalsContact O-CB 3.25Å; R751-S755 WeakPolarHBondContact O-CB 3.39Å; R751-S755 PolarHBondContact O-N 2.74Å
752E80.2Confident82Confident84 Ų8460.5 Ų60.539%0.39332%0.32SS..Hα-helixtrans-63.8-41.9178.6-67.8-58.1139.400110.7H748 A749 E750 S755 E756 K1189H748-E752 WeakPolarHBondContact O-CG 3.3Å; H748-E752 PolarHBondContact O-N 2.83Å; A749-E752 PolarHBondContact O-N 3.49Å; E750-E752 PolarHBondContact O-N 3.03Å; E752-S755 PolarHBondContact O-N 3.03Å; E752-E756 PolarHBondContact O-N 3.3Å; E752-K1189 IonicContact OE1-NZ 2.99Å; E752-K1189 PolarHBondContact OE1-NZ 2.87Å; E752-K1189 IonicContact OE2-NZ 2.9Å; E752-K1189 PolarHBondContact OE2-NZ 3.39Å
753V83.9Confident82Confident95 Ų9561 Ų6158%0.57632%0.315SS*.Hα-helixtrans-62.1-45173.9174.60000111.5A749 E750 R751 S755 E756 R757A749-V753 WeakPolarHBondContact O-CG2 2.97Å; A749-V753 PolarHBondContact O-N 3.37Å; A749-V753 VanDerWaalsContact O-N 3.14Å; E750-V753 PolarHBondContact O-N 3.44Å; R751-V753 VanDerWaalsContact C-N 3.34Å; V753-S755 VanDerWaalsContact C-N 3.32Å; V753-S755 PolarHBondContact O-N 3.36Å; V753-E756 PolarHBondContact O-N 3.2Å; V753-R757 WeakPolarHBondContact O-CB 3.49Å; V753-R757 PolarHBondContact O-N 2.86Å
754L88.2Confident82.1Confident19 Ų1961 Ų6110%0.09932%0.32CS..Hα-helixtrans-64.3-37176-71.3170.2000111.9V606 R609 K610 V613 E750 R751 R757 F758V606-L754 HydrophobicContact CG1-CB 4.4Å; V606-L754 HydrophobicContact CG1-CD2 4.03Å; V606-L754 WeakPolarHBondContact CG1-O 3.46Å; R609-L754 HydrophobicContact CB-CD1 4.36Å; R609-L754 HydrophobicContact CB-CD2 4.48Å; R609-L754 HydrophobicContact CG-CD1 3.73Å; R609-L754 HydrophobicContact CG-CD2 4.14Å; K610-L754 HydrophobicContact CB-CB 4.19Å; K610-L754 HydrophobicContact CB-CD1 4.46Å; V613-L754 HydrophobicContact CG2-CD1 4.04Å; E750-L754 HydrophobicContact CG-CD1 3.92Å; E750-L754 HydrophobicContact CG-CG 4.37Å; E750-L754 WeakPolarHBondContact O-CB 3.25Å; E750-L754 VanDerWaalsContact O-CG 3.27Å; E750-L754 WeakPolarHBondContact O-CG 3.39Å; E750-L754 PolarHBondContact O-N 3.5Å; R751-L754 PolarHBondContact O-N 3.47Å; L754-R757 PolarHBondContact O-N 3.43Å; L754-F758 WeakPolarHBondContact O-CB 3.33Å; L754-F758 PolarHBondContact O-N 2.95Å
755S79.8Confident82.2Confident24 Ų2459.9 Ų59.917%0.16832%0.315CS..Hα-helixtrans-68.6-40.1178.3-169.10000111.7R751 E752 V753 F758 A759R751-S755 VanDerWaalsContact O-CB 3.25Å; R751-S755 WeakPolarHBondContact O-CB 3.39Å; R751-S755 PolarHBondContact O-N 2.74Å; E752-S755 PolarHBondContact O-N 3.03Å; V753-S755 VanDerWaalsContact C-N 3.32Å; V753-S755 PolarHBondContact O-N 3.36Å; S755-F758 PolarHBondContact O-N 2.94Å; S755-A759 WeakPolarHBondContact O-CB 3.29Å; S755-A759 PolarHBondContact O-N 2.83Å
756E77.4Confident82.2Confident139 Ų13956.3 Ų56.365%0.6530%0.298SS*.Hα-helixtrans-63.3-48.3173.9-172.6175.6-170.300110.4E752 V753 F758 A759 T760E752-E756 PolarHBondContact O-N 3.3Å; V753-E756 PolarHBondContact O-N 3.2Å; E756-F758 VanDerWaalsContact C-N 3.34Å; E756-F758 PolarHBondContact O-N 3.35Å; E756-A759 PolarHBondContact O-N 3.44Å; E756-T760 PolarHBondContact O-N 3.44Å; E756-T760 PolarHBondContact O-OG1 2.88Å
757R83.7Confident81.9Confident120 Ų12059.2 Ų59.245%0.45330%0.304SS..Hα-helixtrans-62.4-38.9176.4-171.5176.5179-177.30.2112.7E602 V606 V753 L754 A759 T760 L761E602-R757 IonicContact OE1-CZ 3.43Å; E602-R757 IonicContact OE1-NE 3.15Å; E602-R757 PolarHBondContact OE1-NE 3.2Å; E602-R757 IonicContact OE1-NH2 3.56Å; E602-R757 PolarHBondContact OE1-NH2 3.4Å; V606-R757 HydrophobicContact CG1-CB 4.35Å; V606-R757 HydrophobicContact CG1-CG 4.45Å; V606-R757 HydrophobicContact CG2-CG 4.34Å; V753-R757 WeakPolarHBondContact O-CB 3.49Å; V753-R757 PolarHBondContact O-N 2.86Å; L754-R757 PolarHBondContact O-N 3.43Å; R757-A759 VanDerWaalsContact C-N 3.33Å; R757-T760 WeakPolarHBondContact CA-OG1 3.4Å; R757-T760 PolarHBondContact O-N 3.5Å; R757-T760 PolarHBondContact O-OG1 3Å; R757-L761 HydrophobicContact CG-CD1 3.96Å; R757-L761 HydrophobicContact CG-CG 4.38Å; R757-L761 WeakPolarHBondContact O-CB 3.26Å; R757-L761 VanDerWaalsContact O-CG 3.26Å; R757-L761 WeakPolarHBondContact O-CG 3.44Å; R757-L761 PolarHBondContact O-N 3.21Å
758F83.6Confident81.8Confident63 Ų6360.4 Ų60.428%0.27631%0.311SS..Hα-helixtrans-64-40.7175.8-176.4-92.1000111.2R603 V606 L754 S755 E756 S762R603-F758 HydrophobicContact CG-CD2 3.88Å; R603-F758 HydrophobicContact CG-CE2 3.56Å; R603-F758 HydrophobicContact CG-CZ 4.11Å; R603-F758 WeakPolarHBondContact O-CD2 3.44Å; R603-F758 WeakPolarHBondContact O-CE2 3.33Å; V606-F758 HydrophobicContact CG1-CB 3.97Å; L754-F758 WeakPolarHBondContact O-CB 3.33Å; L754-F758 PolarHBondContact O-N 2.95Å; S755-F758 PolarHBondContact O-N 2.94Å; E756-F758 VanDerWaalsContact C-N 3.34Å; E756-F758 PolarHBondContact O-N 3.35Å; F758-S762 WeakPolarHBondContact CE1-OG 3.34Å; F758-S762 WeakPolarHBondContact O-CB 3.17Å; F758-S762 PolarHBondContact O-N 2.94Å; F758-S762 PolarHBondContact O-OG 2.93Å
759A74.4Confident81.8Confident50 Ų5060.2 Ų60.241%0.41331%0.31SS..Hα-helixtrans-66.2-43.8177.200000111.6S755 E756 R757 S762 F763S755-A759 WeakPolarHBondContact O-CB 3.29Å; S755-A759 PolarHBondContact O-N 2.83Å; E756-A759 PolarHBondContact O-N 3.44Å; R757-A759 VanDerWaalsContact C-N 3.33Å; A759-S762 PolarHBondContact O-N 3.33Å; A759-F763 WeakPolarHBondContact O-CB 3.14Å; A759-F763 PolarHBondContact O-N 3.28Å
760T79.3Confident81.9Confident71 Ų7162.1 Ų62.144%0.43631%0.305SS..Hα-helixtrans-63.8-46.7176.2570000111.6E756 R757 S762 F763 D764E756-T760 PolarHBondContact O-N 3.44Å; E756-T760 PolarHBondContact O-OG1 2.88Å; R757-T760 WeakPolarHBondContact CA-OG1 3.4Å; R757-T760 PolarHBondContact O-N 3.5Å; R757-T760 PolarHBondContact O-OG1 3Å; T760-S762 PolarHBondContact O-N 3.41Å; T760-F763 WeakPolarHBondContact O-CB 3.41Å; T760-F763 PolarHBondContact O-N 3.33Å; T760-D764 PolarHBondContact O-N 3.03Å
761L83.5Confident81.7Confident13 Ų1360.5 Ų60.57%0.06830%0.298CS..Hα-helixtrans-63.3-40.2176.4-71.4170.9000112E602 R603 V606 R757 F763 D764 V765E602-L761 HydrophobicContact CB-CD1 4.28Å; E602-L761 HydrophobicContact CG-CD1 3.78Å; E602-L761 HydrophobicContact CG-CD2 4.35Å; R603-L761 HydrophobicContact CB-CB 4.04Å; R603-L761 HydrophobicContact CG-CB 4.38Å; V606-L761 HydrophobicContact CB-CD1 4.37Å; V606-L761 HydrophobicContact CG2-CD1 3.91Å; R757-L761 HydrophobicContact CG-CD1 3.96Å; R757-L761 HydrophobicContact CG-CG 4.38Å; R757-L761 WeakPolarHBondContact O-CB 3.26Å; R757-L761 VanDerWaalsContact O-CG 3.26Å; R757-L761 WeakPolarHBondContact O-CG 3.44Å; R757-L761 PolarHBondContact O-N 3.21Å; L761-F763 VanDerWaalsContact C-N 3.3Å; L761-F763 PolarHBondContact O-N 2.82Å; L761-D764 PolarHBondContact O-N 2.84Å; L761-V765 WeakPolarHBondContact O-CB 3.45Å; L761-V765 VanDerWaalsContact O-CG2 3.26Å; L761-V765 WeakPolarHBondContact O-CG2 3.35Å; L761-V765 PolarHBondContact O-N 3.3Å
762S79.1Confident81.7Confident20 Ų2060.8 Ų60.814%0.1430%0.301CS..Hα-helixtrans-62.7-40175.8-64.10000111.5F758 A759 T760 Q766F758-S762 WeakPolarHBondContact CE1-OG 3.34Å; F758-S762 WeakPolarHBondContact O-CB 3.17Å; F758-S762 PolarHBondContact O-N 2.94Å; F758-S762 PolarHBondContact O-OG 2.93Å; A759-S762 PolarHBondContact O-N 3.33Å; T760-S762 PolarHBondContact O-N 3.41Å; S762-Q766 WeakPolarHBondContact O-CG 3.38Å; S762-Q766 PolarHBondContact O-N 2.99Å
763F77.2Confident82.1Confident69 Ų6961.5 Ų61.530%0.30331%0.305SS..Hα-helixtrans-64.1-45.3173.8-179.8-100.5000112A759 T760 L761 V765 Q766 K767 I1174A759-F763 WeakPolarHBondContact O-CB 3.14Å; A759-F763 PolarHBondContact O-N 3.28Å; T760-F763 WeakPolarHBondContact O-CB 3.41Å; T760-F763 PolarHBondContact O-N 3.33Å; L761-F763 VanDerWaalsContact C-N 3.3Å; L761-F763 PolarHBondContact O-N 2.82Å; F763-V765 PolarHBondContact O-N 3.39Å; F763-Q766 PolarHBondContact O-N 3.35Å; F763-K767 WeakPolarHBondContact O-CB 3.29Å; F763-K767 PolarHBondContact O-N 3.15Å; F763-I1174 HydrophobicContact CE2-CB 4.45Å; F763-I1174 HydrophobicContact CE2-CG1 4.37Å; F763-I1174 HydrophobicContact CE2-CG2 3.43Å; F763-I1174 VanDerWaalsContact CE2-CG2 3.43Å; F763-I1174 HydrophobicContact CZ-CG2 3.7Å
764D80.1Confident82.2Confident74 Ų7458.2 Ų58.240%0.39629%0.288SS..Hα-helixtrans-64.9-39178.2-71.5-26.2000112T760 L761 K767 T768T760-D764 PolarHBondContact O-N 3.03Å; L761-D764 PolarHBondContact O-N 2.84Å; D764-K767 PolarHBondContact O-N 3.34Å; D764-T768 WeakPolarHBondContact O-CB 3.24Å; D764-T768 PolarHBondContact O-N 2.9Å; D764-T768 PolarHBondContact O-OG1 3.14Å
765V83.2Confident82.3Confident2 Ų257.3 Ų57.31%0.01228%0.283CS..Hα-helixtrans-61.2-48.5171.6169.60000110.3A599 I600 L761 F763 K767 T768 Q769A599-V765 HydrophobicContact CB-CG2 3.67Å; I600-V765 HydrophobicContact CD1-CG1 4.36Å; I600-V765 HydrophobicContact CG1-CG1 3.79Å; I600-V765 HydrophobicContact CG1-CG2 4.02Å; L761-V765 WeakPolarHBondContact O-CB 3.45Å; L761-V765 VanDerWaalsContact O-CG2 3.26Å; L761-V765 WeakPolarHBondContact O-CG2 3.35Å; L761-V765 PolarHBondContact O-N 3.3Å; F763-V765 PolarHBondContact O-N 3.39Å; V765-K767 VanDerWaalsContact C-N 3.32Å; V765-K767 PolarHBondContact O-N 3.42Å; V765-T768 PolarHBondContact O-N 2.97Å; V765-Q769 HydrophobicContact CG1-CG 4.35Å; V765-Q769 WeakPolarHBondContact O-CB 3.24Å; V765-Q769 VanDerWaalsContact O-CG 3.3Å; V765-Q769 WeakPolarHBondContact O-CG 3.43Å; V765-Q769 PolarHBondContact O-N 2.97Å
766Q79.8Confident82.7Confident63 Ų6358.5 Ų58.529%0.29429%0.291SS..Hα-helixtrans-60.8-41.3177-75.6-175.615.200112S762 F763 Q769 R770S762-Q766 WeakPolarHBondContact O-CG 3.38Å; S762-Q766 PolarHBondContact O-N 2.99Å; F763-Q766 PolarHBondContact O-N 3.35Å; Q766-Q769 PolarHBondContact O-N 3.12Å; Q766-R770 VanDerWaalsContact O-CG 3.3Å; Q766-R770 WeakPolarHBondContact O-CG 3.42Å; Q766-R770 PolarHBondContact O-N 3.4Å
767K79.8Confident83.2Confident113 Ų11360.2 Ų60.249%0.49129%0.292SS..Hα-helixtrans-62.8-45.8177.3-172.5-178.6179.2-174.70110.9F763 D764 V765 R770 L771F763-K767 WeakPolarHBondContact O-CB 3.29Å; F763-K767 PolarHBondContact O-N 3.15Å; D764-K767 PolarHBondContact O-N 3.34Å; V765-K767 VanDerWaalsContact C-N 3.32Å; V765-K767 PolarHBondContact O-N 3.42Å; K767-R770 PolarHBondContact O-N 3.45Å; K767-L771 PolarHBondContact O-N 2.79Å
768T83.8Confident83.6Confident24 Ų2454.7 Ų54.715%0.14727%0.271CS..Hα-helixtrans-64.6-39.9177-52.30000111.3L592 E596 D764 V765 L771 H772L592-T768 HydrophobicContact CD2-CG2 4.04Å; E596-T768 HydrophobicContact CB-CG2 3.89Å; E596-T768 HydrophobicContact CG-CG2 4.49Å; D764-T768 WeakPolarHBondContact O-CB 3.24Å; D764-T768 PolarHBondContact O-N 2.9Å; D764-T768 PolarHBondContact O-OG1 3.14Å; V765-T768 PolarHBondContact O-N 2.97Å; T768-L771 WeakPolarHBondContact O-CB 3.41Å; T768-L771 PolarHBondContact O-N 3Å; T768-H772 WeakPolarHBondContact O-CB 3.39Å; T768-H772 PolarHBondContact O-N 3.3Å
769Q85Confident83.8Confident65 Ų6554.2 Ų54.230%0.30427%0.271SS..Hα-helixtrans-64.6-40.4174.7-79.7179.5-9.200112.9E596 V765 Q766 H772 Q773E596-Q769 HydrophobicContact CG-CG 4.22Å; E596-Q769 WeakPolarHBondContact OE1-CG 3.5Å; E596-Q769 PolarHBondContact OE1-NE2 2.8Å; V765-Q769 HydrophobicContact CG1-CG 4.35Å; V765-Q769 WeakPolarHBondContact O-CB 3.24Å; V765-Q769 VanDerWaalsContact O-CG 3.3Å; V765-Q769 WeakPolarHBondContact O-CG 3.43Å; V765-Q769 PolarHBondContact O-N 2.97Å; Q766-Q769 PolarHBondContact O-N 3.12Å; Q769-H772 PolarHBondContact O-N 2.78Å; Q769-Q773 WeakPolarHBondContact O-CB 3.44Å; Q769-Q773 VanDerWaalsContact O-CG 3.27Å; Q769-Q773 WeakPolarHBondContact O-CG 3.33Å; Q769-Q773 PolarHBondContact O-N 3.36Å
770R82.6Confident84.4Confident99 Ų9955.3 Ų55.337%0.37429%0.287SS..Hα-helixtrans-62.4-44.2174-72.2177.5-137.9175.13.1110.9Q766 K767 Q773 A774Q766-R770 VanDerWaalsContact O-CG 3.3Å; Q766-R770 WeakPolarHBondContact O-CG 3.42Å; Q766-R770 PolarHBondContact O-N 3.4Å; K767-R770 PolarHBondContact O-N 3.45Å; R770-Q773 PolarHBondContact O-N 2.88Å; R770-A774 PolarHBondContact O-N 2.88Å
771L84.8Confident84.8Confident24 Ų2455.1 Ų55.113%0.12629%0.289CS..Hα-helixtrans-60.5-51.7173.9-75.4171.9000110.9Q574 L592 K767 T768 Q773 A774 F775Q574-L771 HydrophobicContact CB-CD2 3.77Å; L592-L771 HydrophobicContact CD1-CB 4.45Å; L592-L771 HydrophobicContact CD2-CB 4.37Å; L592-L771 HydrophobicContact CD2-CD1 4.39Å; K767-L771 PolarHBondContact O-N 2.79Å; T768-L771 WeakPolarHBondContact O-CB 3.41Å; T768-L771 PolarHBondContact O-N 3Å; L771-Q773 VanDerWaalsContact C-N 3.31Å; L771-Q773 PolarHBondContact O-N 3.45Å; L771-A774 CarbonylContact O-C 3.53Å; L771-A774 WeakPolarHBondContact O-CA 3.49Å; L771-A774 WeakPolarHBondContact O-CB 3.06Å; L771-A774 PolarHBondContact O-N 2.77Å; L771-F775 WeakPolarHBondContact O-CD2 3.46Å; L771-F775 PolarHBondContact O-N 2.97Å
772H86.9Confident85.2Confident46 Ų4656.4 Ų56.421%0.21329%0.294CS..Hα-helixtrans-54.8-43.9176.4169.1-159.5000112L593 E596 T768 Q769 A774 F775 S776L593-H772 WeakPolarHBondContact CD2-CE1 3.49Å; E596-H772 IonicContact OE2-CE1 3.97Å; E596-H772 IonicContact OE2-CG 3.43Å; E596-H772 IonicContact OE2-ND1 2.86Å; E596-H772 PolarHBondContact OE2-ND1 2.77Å; T768-H772 WeakPolarHBondContact O-CB 3.39Å; T768-H772 PolarHBondContact O-N 3.3Å; Q769-H772 PolarHBondContact O-N 2.78Å; H772-A774 VanDerWaalsContact C-N 3.34Å; H772-A774 PolarHBondContact O-N 3.04Å; H772-F775 PolarHBondContact O-N 2.97Å; H772-S776 PolarHBondContact CD2-OG 3.21Å; H772-S776 VanDerWaalsContact CD2-OG 3.22Å; H772-S776 PolarHBondContact NE2-OG 2.87Å; H772-S776 WeakPolarHBondContact O-CB 3.43Å; H772-S776 PolarHBondContact O-N 3.45Å; H772-S776 PolarHBondContact O-OG 3.48Å
773Q87.3Confident85.7Confident99 Ų9957.3 Ų57.346%0.46330%0.297SS..Hα-helixtrans-62.7-39.2174.4-73.9177.122.600112.4Q769 R770 L771 S776 R777Q769-Q773 WeakPolarHBondContact O-CB 3.44Å; Q769-Q773 VanDerWaalsContact O-CG 3.27Å; Q769-Q773 WeakPolarHBondContact O-CG 3.33Å; Q769-Q773 PolarHBondContact O-N 3.36Å; R770-Q773 PolarHBondContact O-N 2.88Å; L771-Q773 VanDerWaalsContact C-N 3.31Å; L771-Q773 PolarHBondContact O-N 3.45Å; Q773-S776 PolarHBondContact O-N 3.26Å; Q773-R777 WeakPolarHBondContact O-CB 3.47Å; Q773-R777 VanDerWaalsContact O-CG 3.26Å; Q773-R777 WeakPolarHBondContact O-CG 3.07Å; Q773-R777 PolarHBondContact O-N 3.03Å
774A86.8Confident86.1Confident26 Ų2658.4 Ų58.422%0.21532%0.319CS..Hα-helixtrans-63.9-46.4175.300000111.5L571 R770 L771 H772 S776 R777 F778L571-A774 HydrophobicContact CD2-CB 3.71Å; R770-A774 PolarHBondContact O-N 2.88Å; L771-A774 CarbonylContact O-C 3.53Å; L771-A774 WeakPolarHBondContact O-CA 3.49Å; L771-A774 WeakPolarHBondContact O-CB 3.06Å; L771-A774 PolarHBondContact O-N 2.77Å; H772-A774 VanDerWaalsContact C-N 3.34Å; H772-A774 PolarHBondContact O-N 3.04Å; A774-S776 PolarHBondContact O-N 3.4Å; A774-R777 PolarHBondContact O-N 3.41Å; A774-F778 WeakPolarHBondContact O-CB 3.47Å; A774-F778 PolarHBondContact O-N 3.38Å
775F90.1Very high86.6Confident0 Ų056.1 Ų56.10%031%0.307CS..Hα-helixtrans-60.6-43.4173.7-87-92.8000111.9L571 F579 V585 Y588 L589 L592 L771 H772 R777 F778 I779L571-F775 HydrophobicContact CB-CE2 4.47Å; L571-F775 HydrophobicContact CB-CZ 4.27Å; L571-F775 HydrophobicContact CD1-CD1 4.1Å; L571-F775 HydrophobicContact CD1-CE1 4.12Å; L571-F775 HydrophobicContact CD1-CG 4.29Å; L571-F775 HydrophobicContact CD1-CZ 4.32Å; L571-F775 HydrophobicContact CD2-CD2 3.71Å; L571-F775 HydrophobicContact CD2-CE2 3.76Å; L571-F775 HydrophobicContact CD2-CG 4.19Å; L571-F775 HydrophobicContact CD2-CZ 4.28Å; L571-F775 HydrophobicContact CG-CE2 4.48Å; F579-F775 HydrophobicContact CE1-CE1 4.4Å; F579-F775 HydrophobicContact CE2-CE1 4.2Å; F579-F775 AromaticContact CE2-CZ 3.9Å; F579-F775 HydrophobicContact CE2-CZ 3.9Å; F579-F775 AromaticContact CZ-CE1 3.86Å; F579-F775 HydrophobicContact CZ-CE1 3.86Å; F579-F775 AromaticContact CZ-CZ 3.61Å; F579-F775 HydrophobicContact CZ-CZ 3.61Å; V585-F775 HydrophobicContact CG1-CD1 3.78Å; V585-F775 HydrophobicContact CG1-CE1 3.96Å; Y588-F775 AromaticContact CD1-CE1 3.81Å; Y588-F775 HydrophobicContact CD1-CE1 3.81Å; Y588-F775 AromaticContact CD1-CE2 3.89Å; Y588-F775 HydrophobicContact CD1-CE2 3.89Å; Y588-F775 AromaticContact CD1-CZ 3.35Å; Y588-F775 HydrophobicContact CD1-CZ 3.35Å; Y588-F775 AromaticContact CE1-CE2 3.99Å; Y588-F775 HydrophobicContact CE1-CE2 3.99Å; Y588-F775 AromaticContact CE1-CZ 3.79Å; Y588-F775 HydrophobicContact CE1-CZ 3.79Å; Y588-F775 HydrophobicContact CG-CZ 4.36Å; L589-F775 HydrophobicContact CB-CD1 4.46Å; L589-F775 HydrophobicContact CD1-CB 3.95Å; L592-F775 HydrophobicContact CD1-CD2 3.46Å; L592-F775 VanDerWaalsContact CD1-CD2 3.46Å; L592-F775 HydrophobicContact CD1-CE2 3.56Å; L592-F775 HydrophobicContact CD1-CG 4.07Å; L592-F775 HydrophobicContact CD1-CZ 4.22Å; L771-F775 WeakPolarHBondContact O-CD2 3.46Å; L771-F775 PolarHBondContact O-N 2.97Å; H772-F775 PolarHBondContact O-N 2.97Å; F775-R777 PolarHBondContact O-N 3.47Å; F775-F778 WeakPolarHBondContact O-CB 3.44Å; F775-F778 PolarHBondContact O-N 3.12Å; F775-I779 WeakPolarHBondContact O-CB 3.49Å; F775-I779 WeakPolarHBondContact O-CG1 3.35Å; F775-I779 PolarHBondContact O-N 3.09Å
776S88.5Confident86.8Confident49 Ų4956 Ų5634%0.34331%0.307SS..Hα-helixtrans-63.5-42.3178.8-63.30000112H772 Q773 A774 I779 G780H772-S776 PolarHBondContact CD2-OG 3.21Å; H772-S776 VanDerWaalsContact CD2-OG 3.22Å; H772-S776 PolarHBondContact NE2-OG 2.87Å; H772-S776 WeakPolarHBondContact O-CB 3.43Å; H772-S776 PolarHBondContact O-N 3.45Å; H772-S776 PolarHBondContact O-OG 3.48Å; Q773-S776 PolarHBondContact O-N 3.26Å; A774-S776 PolarHBondContact O-N 3.4Å; S776-I779 PolarHBondContact O-N 3.22Å; S776-G780 PolarHBondContact O-N 3.03Å
777R88.4Confident87.3Confident174 Ų17456 Ų5666%0.65731%0.306SS*.Hα-helixtrans-62.2-48173.7-73174.3-167.2167.98.1110.5Q773 A774 F775 I779 G780 S781Q773-R777 WeakPolarHBondContact O-CB 3.47Å; Q773-R777 VanDerWaalsContact O-CG 3.26Å; Q773-R777 WeakPolarHBondContact O-CG 3.07Å; Q773-R777 PolarHBondContact O-N 3.03Å; A774-R777 PolarHBondContact O-N 3.41Å; F775-R777 PolarHBondContact O-N 3.47Å; R777-I779 VanDerWaalsContact C-N 3.3Å; R777-I779 PolarHBondContact O-N 2.85Å; R777-G780 PolarHBondContact O-N 2.93Å; R777-G780 VanDerWaalsContact O-N 3.16Å; R777-S781 PolarHBondContact O-N 3.44Å; R777-S781 PolarHBondContact O-OG 2.95Å
778F91Very high87.7Confident4 Ų453.9 Ų53.92%0.01830%0.298CS..Hα-helixtrans-56.1-44.3176.2178.1-90.9000112.3S567 L568 L571 V585 A774 F775 S781 H782 L783 A786 F787S567-F778 WeakPolarHBondContact OG-CD2 3.36Å; S567-F778 WeakPolarHBondContact OG-CE2 3.36Å; L568-F778 HydrophobicContact CB-CE2 3.79Å; L568-F778 HydrophobicContact CB-CZ 4.11Å; L568-F778 HydrophobicContact CD1-CE1 4.32Å; L568-F778 HydrophobicContact CD1-CE2 4.1Å; L568-F778 HydrophobicContact CD1-CZ 3.69Å; L568-F778 HydrophobicContact CG-CZ 4.42Å; L571-F778 HydrophobicContact CD1-CB 3.63Å; L571-F778 HydrophobicContact CD1-CD1 3.96Å; L571-F778 HydrophobicContact CD1-CD2 3.8Å; L571-F778 HydrophobicContact CD1-CE2 4.5Å; L571-F778 HydrophobicContact CD1-CG 3.51Å; V585-F778 HydrophobicContact CG1-CD1 3.91Å; V585-F778 HydrophobicContact CG1-CE1 3.96Å; V585-F778 HydrophobicContact CG2-CE1 4.23Å; A774-F778 WeakPolarHBondContact O-CB 3.47Å; A774-F778 PolarHBondContact O-N 3.38Å; F775-F778 WeakPolarHBondContact O-CB 3.44Å; F775-F778 PolarHBondContact O-N 3.12Å; F778-S781 PolarHBondContact O-N 3.35Å; F778-H782 HydrophobicContact CD2-CB 3.86Å; F778-H782 HydrophobicContact CE2-CB 3.87Å; F778-H782 HydrophobicContact CG-CB 4.4Å; F778-H782 HydrophobicContact CZ-CB 4.43Å; F778-H782 CarbonylContact O-C 3.57Å; F778-H782 WeakPolarHBondContact O-CA 3.39Å; F778-H782 WeakPolarHBondContact O-CB 3.08Å; F778-H782 PolarHBondContact O-N 2.83Å; F778-L783 HydrophobicContact CE1-CD1 4.04Å; F778-L783 PolarHBondContact O-N 3.12Å; F778-L783 VanDerWaalsContact O-N 3.08Å; F778-A786 HydrophobicContact CE1-CB 4.45Å; F778-A786 HydrophobicContact CE2-CB 4.14Å; F778-A786 HydrophobicContact CZ-CB 3.52Å; F778-F787 HydrophobicContact CE1-CE2 4.49Å
779I88.2Confident87.9Confident53 Ų5356.6 Ų56.627%0.27232%0.318SS..Hα-helixtrans-63.7-43.9177.4-70.5177.1000111.4V585 T586 L589 F775 S776 R777 L783V585-I779 HydrophobicContact CG1-CG1 4.31Å; T586-I779 HydrophobicContact CG2-CD1 4.38Å; L589-I779 HydrophobicContact CD2-CD1 3.31Å; F775-I779 WeakPolarHBondContact O-CB 3.49Å; F775-I779 WeakPolarHBondContact O-CG1 3.35Å; F775-I779 PolarHBondContact O-N 3.09Å; S776-I779 PolarHBondContact O-N 3.22Å; R777-I779 VanDerWaalsContact C-N 3.3Å; R777-I779 PolarHBondContact O-N 2.85Å; I779-L783 HydrophobicContact CG1-CD2 4.34Å; I779-L783 HydrophobicContact CG2-CD2 4.08Å
780G87.8Confident88.1Confident73 Ų7355.5 Ų55.575%0.75331%0.314SS*.Hα-helixtrans-67.7-34.1-179.600000114.4S776 R777S776-G780 PolarHBondContact O-N 3.03Å; R777-G780 PolarHBondContact O-N 2.93Å; R777-G780 VanDerWaalsContact O-N 3.16Å
781S87.5Confident88.5Confident68 Ų6850.8 Ų50.848%0.47630%0.296SS..Hα-helixtrans-111.6-21.9-172.461.20000115.7R777 F778R777-S781 PolarHBondContact O-N 3.44Å; R777-S781 PolarHBondContact O-OG 2.95Å; F778-S781 PolarHBondContact O-N 3.35Å
782H90.6Very high88.6Confident40 Ų4051.3 Ų51.319%0.18530%0.298CS..THydrogen-bonded Turntrans-132.4-22.7-163.7-63.7-43.1000115.7A564 S567 F778 A784 V785 A786A564-H782 HydrophobicContact CB-CB 3.67Å; S567-H782 PolarHBondContact OG-CD2 3.3Å; F778-H782 HydrophobicContact CD2-CB 3.86Å; F778-H782 HydrophobicContact CE2-CB 3.87Å; F778-H782 HydrophobicContact CG-CB 4.4Å; F778-H782 HydrophobicContact CZ-CB 4.43Å; F778-H782 CarbonylContact O-C 3.57Å; F778-H782 WeakPolarHBondContact O-CA 3.39Å; F778-H782 WeakPolarHBondContact O-CB 3.08Å; F778-H782 PolarHBondContact O-N 2.83Å; H782-A784 VanDerWaalsContact C-N 3.3Å; H782-A784 PolarHBondContact O-N 3.09Å; H782-A784 VanDerWaalsContact O-N 3.16Å; H782-V785 PolarHBondContact O-N 3.41Å; H782-V785 VanDerWaalsContact O-N 3.07Å; H782-A786 WeakPolarHBondContact O-CB 3.35Å; H782-A786 PolarHBondContact O-N 3.38Å
783L89.5Confident88.6Confident39 Ų3950.9 Ų50.920%0.20430%0.302CS..Hα-helixtrans-54.8-39.9-172.7-173.870.5000114.6V585 T586 F778 I779 V785 F787V585-L783 HydrophobicContact CB-CD1 4.37Å; V585-L783 HydrophobicContact CG1-CD1 4.4Å; T586-L783 HydrophobicContact CG2-CD2 4.39Å; F778-L783 HydrophobicContact CE1-CD1 4.04Å; F778-L783 PolarHBondContact O-N 3.12Å; F778-L783 VanDerWaalsContact O-N 3.08Å; I779-L783 HydrophobicContact CG1-CD2 4.34Å; I779-L783 HydrophobicContact CG2-CD2 4.08Å; L783-V785 PolarHBondContact O-N 3.41Å; L783-F787 HydrophobicContact CD1-CD2 4.44Å; L783-F787 HydrophobicContact CD1-CE2 3.98Å
784A87.4Confident88.8Confident91 Ų9148.2 Ų48.275%0.75229%0.29SS*.Hα-helixtrans-64.9-24.4-177.300000113.8H782H782-A784 VanDerWaalsContact C-N 3.3Å; H782-A784 PolarHBondContact O-N 3.09Å; H782-A784 VanDerWaalsContact O-N 3.16Å
785V89Confident88.9Confident26 Ų2647.9 Ų47.916%0.15828%0.284CS..Hα-helixtrans-113.7-26.7-173.1-1750000111.6R557 V560 W561 H782 L783 F787 E788R557-V785 HydrophobicContact CG-CG1 4.35Å; V560-V785 HydrophobicContact CG1-CG1 4.5Å; V560-V785 HydrophobicContact CG1-CG2 4.3Å; W561-V785 HydrophobicContact CB-CG1 3.81Å; W561-V785 HydrophobicContact CG-CG1 4.28Å; H782-V785 PolarHBondContact O-N 3.41Å; H782-V785 VanDerWaalsContact O-N 3.07Å; L783-V785 PolarHBondContact O-N 3.41Å; V785-F787 VanDerWaalsContact C-N 3.29Å; V785-F787 PolarHBondContact O-N 3.17Å; V785-E788 WeakPolarHBondContact O-CB 3.37Å; V785-E788 PolarHBondContact O-N 3.16Å; V785-E788 VanDerWaalsContact O-N 3.1Å
786A88.2Confident88.7Confident0 Ų055.4 Ų55.40%031%0.313CS..Hα-helixtrans-54.6-40-173.400000113.9A564 Q565 F778 H782A564-A786 HydrophobicContact CB-CB 3.99Å; Q565-A786 PolarHBondContact NE2-O 3.15Å; F778-A786 HydrophobicContact CE1-CB 4.45Å; F778-A786 HydrophobicContact CE2-CB 4.14Å; F778-A786 HydrophobicContact CZ-CB 3.52Å; H782-A786 WeakPolarHBondContact O-CB 3.35Å; H782-A786 PolarHBondContact O-N 3.38Å
787F90.1Very high88.7Confident63 Ų6359.6 Ų59.628%0.27633%0.327SS..THydrogen-bonded Turntrans-965.6-176.4-61.2-77.2000114.1L568 F579 T580 S581 S582 V585 F778 L783 V785L568-F787 HydrophobicContact CD1-CZ 4.1Å; L568-F787 HydrophobicContact CD2-CE1 4.1Å; L568-F787 HydrophobicContact CD2-CZ 4.22Å; F579-F787 HydrophobicContact CB-CE1 4.42Å; F579-F787 HydrophobicContact CB-CZ 4.32Å; T580-F787 WeakPolarHBondContact O-CD1 3.41Å; S581-F787 VanDerWaalsContact C-CE1 3.42Å; S581-F787 VanDerWaalsContact C-CZ 3.42Å; S581-F787 VanDerWaalsContact O-CZ 3.24Å; S581-F787 WeakPolarHBondContact O-CZ 2.84Å; S582-F787 VanDerWaalsContact CA-CE2 3.46Å; V585-F787 HydrophobicContact CG2-CE2 3.89Å; V585-F787 HydrophobicContact CG2-CZ 3.5Å; F778-F787 HydrophobicContact CE1-CE2 4.49Å; L783-F787 HydrophobicContact CD1-CD2 4.44Å; L783-F787 HydrophobicContact CD1-CE2 3.98Å; V785-F787 VanDerWaalsContact C-N 3.29Å; V785-F787 PolarHBondContact O-N 3.17Å
788E89.1Confident88.9Confident68 Ų6852.7 Ų52.732%0.31830%0.303SS..SBendtrans-71.6157.5171.3-62.9-171.3140.600110.8R557 W561 V785R557-E788 WeakPolarHBondContact CD-OE2 3.39Å; R557-E788 IonicContact CZ-OE2 3.45Å; R557-E788 IonicContact NE-OE2 3.83Å; R557-E788 PolarHBondContact NE-OE2 2.83Å; R557-E788 VanDerWaalsContact NH1-CD 3.27Å; R557-E788 IonicContact NH1-OE1 3.73Å; R557-E788 PolarHBondContact NH1-OE1 2.67Å; R557-E788 VanDerWaalsContact NH1-OE1 3.14Å; R557-E788 IonicContact NH1-OE2 3.92Å; R557-E788 PolarHBondContact NH1-OE2 2.78Å; R557-E788 IonicContact NH2-OE2 2.68Å; W561-E788 PolarHBondContact NE1-O 2.96Å; V785-E788 WeakPolarHBondContact O-CB 3.37Å; V785-E788 PolarHBondContact O-N 3.16Å; V785-E788 VanDerWaalsContact O-N 3.1Å
789S88.1Confident88.8Confident82 Ų8255 Ų5557%0.57332%0.315SS*.  trans-60.1143174.753.50000112.1P791S789-P791 VanDerWaalsContact O-CD 3.22Å; S789-P791 WeakPolarHBondContact O-CD 3.25Å
790D89.1Confident88.8Confident42 Ų4255.5 Ų55.523%0.22532%0.324CS..  trans-52.5109.5178.9176.812.5000111.5W561 E792 A793 E794 R796W561-D790 HydrophobicContact CH2-CB 3.76Å; W561-D790 HydrophobicContact CZ2-CB 3.87Å; W561-D790 HydrophobicContact CZ3-CB 4.41Å; D790-E792 PolarHBondContact O-N 2.95Å; D790-E792 VanDerWaalsContact OD1-CB 3.28Å; D790-E792 WeakPolarHBondContact OD1-CB 3.42Å; D790-E792 PolarHBondContact OD1-N 3.13Å; D790-A793 HydrophobicContact CB-CB 4.03Å; D790-A793 WeakPolarHBondContact O-CB 3.39Å; D790-A793 PolarHBondContact O-N 3.32Å; D790-A793 VanDerWaalsContact O-N 3.11Å; D790-A793 PolarHBondContact OD2-N 3.39Å; D790-E794 PolarHBondContact O-N 3.25Å; D790-R796 IonicContact OD2-NH2 3.69Å
791P90.6Very high88.9Confident0 Ų056.8 Ų56.80%031%0.306CS..Hα-helixtrans-62.9-26.317924.8-31.6000111.9L554 A558 W561 S789 E794 I795L554-P791 HydrophobicContact CB-CB 4.35Å; L554-P791 HydrophobicContact CD2-CB 4.04Å; A558-P791 HydrophobicContact CB-CB 4.27Å; A558-P791 HydrophobicContact CB-CG 3.82Å; W561-P791 HydrophobicContact CB-CG 3.99Å; W561-P791 HydrophobicContact CD2-CG 4.27Å; W561-P791 HydrophobicContact CE3-CG 4.48Å; W561-P791 HydrophobicContact CG-CG 4.04Å; S789-P791 VanDerWaalsContact O-CD 3.22Å; S789-P791 WeakPolarHBondContact O-CD 3.25Å; P791-E794 PolarHBondContact O-N 2.92Å; P791-I795 WeakPolarHBondContact O-CB 3.47Å; P791-I795 WeakPolarHBondContact O-CD1 3.26Å; P791-I795 WeakPolarHBondContact O-CG1 3.33Å; P791-I795 PolarHBondContact O-N 2.84Å
792E87.1Confident89Confident34 Ų3457.2 Ų57.216%0.15930%0.297CS..Hα-helixtrans-70.8-31.2176.4-63.7-170.8164.500112.8D790 R796 R1093 Y1097D790-E792 PolarHBondContact O-N 2.95Å; D790-E792 VanDerWaalsContact OD1-CB 3.28Å; D790-E792 WeakPolarHBondContact OD1-CB 3.42Å; D790-E792 PolarHBondContact OD1-N 3.13Å; E792-R796 WeakPolarHBondContact O-CB 3.41Å; E792-R796 VanDerWaalsContact O-CG 3.3Å; E792-R796 WeakPolarHBondContact O-CG 3.26Å; E792-R796 PolarHBondContact O-N 3.41Å; E792-R796 PolarHBondContact O-NE 3.17Å; E792-R796 VanDerWaalsContact O-NE 3.13Å; E792-R1093 IonicContact OE2-CZ 3.73Å; E792-R1093 IonicContact OE2-NE 3.58Å; E792-R1093 IonicContact OE2-NH2 2.81Å; E792-R1093 PolarHBondContact OE2-NH2 2.92Å; E792-Y1097 VanDerWaalsContact CD-OH 3.26Å; E792-Y1097 WeakPolarHBondContact CG-OH 3.44Å; E792-Y1097 PolarHBondContact OE1-OH 2.87Å
793A87.4Confident88.8Confident37 Ų3758.1 Ų58.131%0.30631%0.305SS..Hα-helixtrans-68-44.3173.600000110.6D790 R796 Q797D790-A793 HydrophobicContact CB-CB 4.03Å; D790-A793 WeakPolarHBondContact O-CB 3.39Å; D790-A793 PolarHBondContact O-N 3.32Å; D790-A793 VanDerWaalsContact O-N 3.11Å; D790-A793 PolarHBondContact OD2-N 3.39Å; A793-R796 PolarHBondContact O-N 3.18Å; A793-Q797 PolarHBondContact O-N 3.34Å; A793-Q797 VanDerWaalsContact O-N 3.17Å
794E90.3Very high88.7Confident44 Ų4461.1 Ų61.121%0.20632%0.318CS..Hα-helixtrans-62.8-48.1174.4-165.2-179.816100110.3R550 L554 D790 P791 R796 Q797 L798R550-E794 IonicContact CZ-OE1 3.75Å; R550-E794 IonicContact NE-OE1 3.46Å; R550-E794 PolarHBondContact NE-OE1 3.14Å; R550-E794 IonicContact NH2-OE1 3.16Å; R550-E794 PolarHBondContact NH2-OE1 2.95Å; R550-E794 IonicContact NH2-OE2 2.73Å; L554-E794 HydrophobicContact CD1-CB 3.97Å; L554-E794 HydrophobicContact CD1-CG 3.68Å; L554-E794 WeakPolarHBondContact CD2-OE2 3.44Å; D790-E794 PolarHBondContact O-N 3.25Å; P791-E794 PolarHBondContact O-N 2.92Å; E794-R796 VanDerWaalsContact C-N 3.26Å; E794-R796 PolarHBondContact O-N 3.1Å; E794-Q797 PolarHBondContact O-N 3.34Å; E794-Q797 VanDerWaalsContact O-N 3.07Å; E794-L798 HydrophobicContact CG-CD1 4.37Å; E794-L798 HydrophobicContact CG-CG 4.35Å; E794-L798 WeakPolarHBondContact O-CG 3.35Å; E794-L798 PolarHBondContact O-N 3.08Å
795I88.4Confident88.8Confident18 Ų1857 Ų579%0.09228%0.283CS..Hα-helixtrans-55.8-39175.7-72163.5000111.8L554 M555 P791 L798 N799L554-I795 HydrophobicContact CB-CD1 3.78Å; L554-I795 HydrophobicContact CB-CG1 3.61Å; L554-I795 HydrophobicContact CD1-CG1 4.05Å; M555-I795 HydrophobicContact CG-CD1 3.93Å; P791-I795 WeakPolarHBondContact O-CB 3.47Å; P791-I795 WeakPolarHBondContact O-CD1 3.26Å; P791-I795 WeakPolarHBondContact O-CG1 3.33Å; P791-I795 PolarHBondContact O-N 2.84Å; I795-L798 PolarHBondContact O-N 3.04Å; I795-N799 WeakPolarHBondContact CG2-ND2 3.31Å; I795-N799 VanDerWaalsContact O-CB 3.29Å; I795-N799 WeakPolarHBondContact O-CB 3.42Å; I795-N799 PolarHBondContact O-N 2.85Å; I795-N799 PolarHBondContact O-ND2 3.45Å
796R86.8Confident88.6Confident158 Ų15859.3 Ų59.360%0.59629%0.292SS*.Hα-helixtrans-63.5-45.1176.7-82.5178.6-86.7167.4-7.4111.8D790 E792 A793 E794 N799 S800D790-R796 IonicContact OD2-NH2 3.69Å; E792-R796 WeakPolarHBondContact O-CB 3.41Å; E792-R796 VanDerWaalsContact O-CG 3.3Å; E792-R796 WeakPolarHBondContact O-CG 3.26Å; E792-R796 PolarHBondContact O-N 3.41Å; E792-R796 PolarHBondContact O-NE 3.17Å; E792-R796 VanDerWaalsContact O-NE 3.13Å; A793-R796 PolarHBondContact O-N 3.18Å; E794-R796 VanDerWaalsContact C-N 3.26Å; E794-R796 PolarHBondContact O-N 3.1Å; R796-N799 PolarHBondContact O-N 3.35Å; R796-S800 PolarHBondContact O-N 2.87Å; R796-S800 PolarHBondContact O-OG 3.28Å
797Q89.2Confident88.4Confident137 Ų13767.3 Ų67.364%0.6432%0.322SS*.Hα-helixtrans-66.2-41.5176.1-67.5178-2.600112.3A793 E794 S800 R801A793-Q797 PolarHBondContact O-N 3.34Å; A793-Q797 VanDerWaalsContact O-N 3.17Å; E794-Q797 PolarHBondContact O-N 3.34Å; E794-Q797 VanDerWaalsContact O-N 3.07Å; Q797-S800 PolarHBondContact O-N 2.8Å; Q797-S800 PolarHBondContact O-OG 3.39Å; Q797-R801 PolarHBondContact O-N 3.05Å
798L91.3Very high88.2Confident29 Ų2966.1 Ų66.115%0.15232%0.324CS..Hα-helixtrans-67.4-37.1177.5-61.9-171.3000111.5L547 R550 I551 L554 E794 I795 R801 R802L547-L798 HydrophobicContact CD2-CB 4.36Å; L547-L798 HydrophobicContact CD2-CD2 3.64Å; L547-L798 HydrophobicContact CD2-CG 4.39Å; R550-L798 HydrophobicContact CB-CD1 4.01Å; R550-L798 HydrophobicContact CG-CD1 3.47Å; R550-L798 VanDerWaalsContact CG-CD1 3.47Å; I551-L798 HydrophobicContact CD1-CB 3.88Å; I551-L798 HydrophobicContact CG1-CB 3.65Å; I551-L798 HydrophobicContact CG1-CD1 3.88Å; I551-L798 HydrophobicContact CG1-CG 4.44Å; L554-L798 HydrophobicContact CD1-CD1 3.71Å; E794-L798 HydrophobicContact CG-CD1 4.37Å; E794-L798 HydrophobicContact CG-CG 4.35Å; E794-L798 WeakPolarHBondContact O-CG 3.35Å; E794-L798 PolarHBondContact O-N 3.08Å; I795-L798 PolarHBondContact O-N 3.04Å; L798-R801 PolarHBondContact O-N 3.29Å; L798-R802 WeakPolarHBondContact O-CB 2.9Å; L798-R802 PolarHBondContact O-N 3.34Å
799N88.8Confident88Confident53 Ų5363.5 Ų63.528%0.28331%0.312SS..Hα-helixtrans-67.9-38174.9-83.1-50.8000112.5I795 R796 R801 R802 V803I795-N799 WeakPolarHBondContact CG2-ND2 3.31Å; I795-N799 VanDerWaalsContact O-CB 3.29Å; I795-N799 WeakPolarHBondContact O-CB 3.42Å; I795-N799 PolarHBondContact O-N 2.85Å; I795-N799 PolarHBondContact O-ND2 3.45Å; R796-N799 PolarHBondContact O-N 3.35Å; N799-R801 VanDerWaalsContact C-N 3.34Å; N799-R802 WeakPolarHBondContact O-CB 3.3Å; N799-R802 PolarHBondContact O-N 2.83Å; N799-R802 PolarHBondContact OD1-NH1 3.19Å; N799-V803 WeakPolarHBondContact O-CG2 3.32Å; N799-V803 PolarHBondContact O-N 2.87Å
800S88.3Confident87.7Confident63 Ų6362.4 Ų62.444%0.44131%0.305SS..Hα-helixtrans-63.3-44173.257.70000110.9R796 Q797 R802 V803 E804R796-S800 PolarHBondContact O-N 2.87Å; R796-S800 PolarHBondContact O-OG 3.28Å; Q797-S800 PolarHBondContact O-N 2.8Å; Q797-S800 PolarHBondContact O-OG 3.39Å; S800-R802 VanDerWaalsContact C-N 3.31Å; S800-R802 PolarHBondContact O-N 3.2Å; S800-V803 PolarHBondContact O-N 2.87Å; S800-E804 WeakPolarHBondContact O-CG 3.19Å; S800-E804 PolarHBondContact O-N 3.47Å
801R90.7Very high87.5Confident101 Ų10164.9 Ų64.938%0.38132%0.318SS..Hα-helixtrans-61.7-38.9174.5-175.960.6-178.8169.21.4112.1E543 L547 Q797 L798 N799 E804 L805E543-R801 IonicContact OE1-CZ 3.85Å; E543-R801 IonicContact OE1-NE 3.79Å; E543-R801 PolarHBondContact OE1-NE 3.24Å; E543-R801 IonicContact OE1-NH2 2.68Å; E543-R801 PolarHBondContact OE1-NH2 2.84Å; E543-R801 IonicContact OE2-NH2 3.58Å; L547-R801 HydrophobicContact CD1-CB 4.26Å; L547-R801 HydrophobicContact CD1-CG 3.71Å; Q797-R801 PolarHBondContact O-N 3.05Å; L798-R801 PolarHBondContact O-N 3.29Å; N799-R801 VanDerWaalsContact C-N 3.34Å; R801-E804 IonicContact NH1-OE2 2.95Å; R801-E804 PolarHBondContact NH1-OE2 2.85Å; R801-E804 WeakPolarHBondContact O-CB 3.36Å; R801-E804 PolarHBondContact O-N 3.4Å; R801-L805 HydrophobicContact CG-CD1 4.28Å; R801-L805 WeakPolarHBondContact O-CG 3.44Å; R801-L805 PolarHBondContact O-N 2.73Å
802R88.2Confident87.3Confident77 Ų7766.1 Ų66.129%0.29132%0.324SS..Hα-helixtrans-62-43.3175.2-162.2-169.599.7-164.59.7111.8L798 N799 S800 L805 E806L798-R802 WeakPolarHBondContact O-CB 2.9Å; L798-R802 PolarHBondContact O-N 3.34Å; N799-R802 WeakPolarHBondContact O-CB 3.3Å; N799-R802 PolarHBondContact O-N 2.83Å; N799-R802 PolarHBondContact OD1-NH1 3.19Å; S800-R802 VanDerWaalsContact C-N 3.31Å; S800-R802 PolarHBondContact O-N 3.2Å; R802-L805 PolarHBondContact O-N 3.19Å; R802-E806 IonicContact CZ-OE1 3.88Å; R802-E806 IonicContact NE-OE1 3.93Å; R802-E806 PolarHBondContact NE-OE1 3.07Å; R802-E806 IonicContact NH2-OE1 2.76Å; R802-E806 PolarHBondContact NH2-OE1 3.01Å; R802-E806 VanDerWaalsContact NH2-OE1 3.16Å; R802-E806 WeakPolarHBondContact O-CB 3.3Å; R802-E806 WeakPolarHBondContact O-CG 3.43Å; R802-E806 PolarHBondContact O-N 3.49Å
803V87.2Confident87Confident58 Ų5867.9 Ų67.935%0.35233%0.332SS..Hα-helixtrans-66.4-38.3176.6171.50000111.3N799 S800 E806 R807N799-V803 WeakPolarHBondContact O-CG2 3.32Å; N799-V803 PolarHBondContact O-N 2.87Å; S800-V803 PolarHBondContact O-N 2.87Å; V803-E806 PolarHBondContact O-N 3.38Å; V803-R807 VanDerWaalsContact O-CG 3.31Å; V803-R807 WeakPolarHBondContact O-CG 3.2Å; V803-R807 PolarHBondContact O-N 3.4Å
804E88.3Confident86.7Confident103 Ų10369.7 Ų69.748%0.48134%0.337SS..Hα-helixtrans-61.8-44.7172.4-72.2169.8-170.700111.7S800 R801 R807 A808S800-E804 WeakPolarHBondContact O-CG 3.19Å; S800-E804 PolarHBondContact O-N 3.47Å; R801-E804 IonicContact NH1-OE2 2.95Å; R801-E804 PolarHBondContact NH1-OE2 2.85Å; R801-E804 WeakPolarHBondContact O-CB 3.36Å; R801-E804 PolarHBondContact O-N 3.4Å; E804-R807 WeakPolarHBondContact O-CB 3.24Å; E804-R807 PolarHBondContact O-N 2.78Å; E804-A808 WeakPolarHBondContact O-CB 3.27Å; E804-A808 PolarHBondContact O-N 2.89Å
805L87.7Confident86.3Confident3 Ų371.8 Ų71.82%0.01635%0.349CS..Hα-helixtrans-67.1-39.3176.5-75169.2000112.7L540 E543 L547 R801 R802 R807 A808 L809L540-L805 HydrophobicContact CD2-CD2 3.6Å; E543-L805 HydrophobicContact CB-CD1 4.17Å; E543-L805 HydrophobicContact CG-CD1 3.79Å; L547-L805 HydrophobicContact CD1-CD1 3.3Å; R801-L805 HydrophobicContact CG-CD1 4.28Å; R801-L805 WeakPolarHBondContact O-CG 3.44Å; R801-L805 PolarHBondContact O-N 2.73Å; R802-L805 PolarHBondContact O-N 3.19Å; L805-R807 VanDerWaalsContact C-N 3.29Å; L805-R807 PolarHBondContact O-N 3.15Å; L805-A808 PolarHBondContact O-N 2.98Å; L805-L809 WeakPolarHBondContact O-CB 3.42Å; L805-L809 PolarHBondContact O-N 3.43Å
806E85.2Confident86Confident75 Ų7571.9 Ų71.935%0.3535%0.35SS..Hα-helixtrans-61-39.8173.4-77.8172.5-164.300110.9R802 V803 S810R802-E806 IonicContact CZ-OE1 3.88Å; R802-E806 IonicContact NE-OE1 3.93Å; R802-E806 PolarHBondContact NE-OE1 3.07Å; R802-E806 IonicContact NH2-OE1 2.76Å; R802-E806 PolarHBondContact NH2-OE1 3.01Å; R802-E806 VanDerWaalsContact NH2-OE1 3.16Å; R802-E806 WeakPolarHBondContact O-CB 3.3Å; R802-E806 WeakPolarHBondContact O-CG 3.43Å; R802-E806 PolarHBondContact O-N 3.49Å; V803-E806 PolarHBondContact O-N 3.38Å; E806-S810 WeakPolarHBondContact O-CB 3.44Å; E806-S810 PolarHBondContact O-N 2.83Å
807R83.5Confident85.7Confident168 Ų16870 Ų7063%0.63435%0.348SS*.Hα-helixtrans-67.7-43.2173.1-71.6174.6-174.6-1783112V803 E804 L805 S810 N811V803-R807 VanDerWaalsContact O-CG 3.31Å; V803-R807 WeakPolarHBondContact O-CG 3.2Å; V803-R807 PolarHBondContact O-N 3.4Å; E804-R807 WeakPolarHBondContact O-CB 3.24Å; E804-R807 PolarHBondContact O-N 2.78Å; L805-R807 VanDerWaalsContact C-N 3.29Å; L805-R807 PolarHBondContact O-N 3.15Å; R807-S810 PolarHBondContact O-N 3.39Å; R807-N811 WeakPolarHBondContact O-CB 3.35Å; R807-N811 VanDerWaalsContact O-CG 3.24Å; R807-N811 PolarHBondContact O-N 3.34Å
808A86.4Confident85.4Confident38 Ų3869 Ų6931%0.31434%0.343SS..Hα-helixtrans-63-43.3177.700000111.4E804 L805 N811 H812E804-A808 WeakPolarHBondContact O-CB 3.27Å; E804-A808 PolarHBondContact O-N 2.89Å; L805-A808 PolarHBondContact O-N 2.98Å; A808-N811 PolarHBondContact O-N 3.47Å; A808-H812 WeakPolarHBondContact O-CB 3.45Å; A808-H812 PolarHBondContact O-N 3.35Å
809L85.2Confident85Confident13 Ų1370.6 Ų70.67%0.06835%0.35CS..Hα-helixtrans-61-45.9173.5-86163.2000111.6R537 L540 R541 Q544 L805 H812 E813R537-L809 HydrophobicContact CG-CD2 4.28Å; L540-L809 HydrophobicContact CB-CD2 3.8Å; L540-L809 HydrophobicContact CB-CG 3.96Å; L540-L809 HydrophobicContact CD1-CD2 4.21Å; L540-L809 HydrophobicContact CD1-CG 4.31Å; R541-L809 HydrophobicContact CG-CD2 4.2Å; Q544-L809 VanDerWaalsContact OE1-CD1 3.31Å; L805-L809 WeakPolarHBondContact O-CB 3.42Å; L805-L809 PolarHBondContact O-N 3.43Å; L809-H812 PolarHBondContact O-N 2.85Å; L809-E813 WeakPolarHBondContact O-CB 3.5Å; L809-E813 VanDerWaalsContact O-CG 3.31Å; L809-E813 WeakPolarHBondContact O-CG 3.16Å; L809-E813 PolarHBondContact O-N 2.61Å
810S82.5Confident84.7Confident59 Ų5973.6 Ų73.641%0.41336%0.357SS..Hα-helixtrans-61.1-46.2176.5-1800000111.9E806 R807 E813 N814E806-S810 WeakPolarHBondContact O-CB 3.44Å; E806-S810 PolarHBondContact O-N 2.83Å; R807-S810 PolarHBondContact O-N 3.39Å; S810-E813 PolarHBondContact O-N 3.46Å; S810-N814 VanDerWaalsContact O-CG 3.24Å; S810-N814 PolarHBondContact O-N 2.96Å; S810-N814 PolarHBondContact O-ND2 2.92Å; S810-N814 VanDerWaalsContact O-ND2 3.14Å
811N85Confident84.4Confident95 Ų9575.3 Ų75.351%0.50836%0.361SS..Hα-helixtrans-63.3-47.8177.2-70.6-8.2000111.2R807 A808 E813 N814 D815R807-N811 WeakPolarHBondContact O-CB 3.35Å; R807-N811 VanDerWaalsContact O-CG 3.24Å; R807-N811 PolarHBondContact O-N 3.34Å; A808-N811 PolarHBondContact O-N 3.47Å; N811-E813 VanDerWaalsContact C-N 3.31Å; N811-E813 PolarHBondContact O-N 3.44Å; N811-N814 WeakPolarHBondContact O-CB 3.31Å; N811-N814 PolarHBondContact O-N 3.48Å; N811-N814 VanDerWaalsContact O-N 3.14Å; N811-D815 VanDerWaalsContact O-CG 3.27Å; N811-D815 PolarHBondContact O-N 2.78Å
812H84.9Confident84.1Confident26 Ų2673.8 Ų73.812%0.1236%0.358CS..Hα-helixtrans-61.7-37.6176.9178.3-72.2000111.8A533 E536 L540 A808 L809 N816A533-H812 PolarHBondContact O-CE1 3.35Å; A533-H812 PolarHBondContact O-NE2 3.38Å; E536-H812 IonicContact OE2-CD2 2.65Å; E536-H812 IonicContact OE2-NE2 2.71Å; L540-H812 HydrophobicContact CD1-CB 4.49Å; A808-H812 WeakPolarHBondContact O-CB 3.45Å; A808-H812 PolarHBondContact O-N 3.35Å; L809-H812 PolarHBondContact O-N 2.85Å; H812-N816 WeakPolarHBondContact O-CB 3.49Å; H812-N816 PolarHBondContact O-N 3.44Å
813E81.6Confident83.9Confident70 Ų7071.4 Ų71.433%0.32735%0.349SS..Hα-helixtrans-65.5-39.7174.2-78.2-175.8166.400111.9R537 L809 S810 N811 Q817R537-E813 IonicContact CZ-OE1 3.45Å; R537-E813 IonicContact NE-OE1 3.35Å; R537-E813 PolarHBondContact NE-OE1 3.38Å; R537-E813 IonicContact NH2-OE1 3.09Å; R537-E813 PolarHBondContact NH2-OE1 3.36Å; L809-E813 WeakPolarHBondContact O-CB 3.5Å; L809-E813 VanDerWaalsContact O-CG 3.31Å; L809-E813 WeakPolarHBondContact O-CG 3.16Å; L809-E813 PolarHBondContact O-N 2.61Å; S810-E813 PolarHBondContact O-N 3.46Å; N811-E813 VanDerWaalsContact C-N 3.31Å; N811-E813 PolarHBondContact O-N 3.44Å; E813-Q817 WeakPolarHBondContact O-CB 3.49Å; E813-Q817 VanDerWaalsContact O-CG 3.3Å; E813-Q817 WeakPolarHBondContact O-CG 3.39Å; E813-Q817 PolarHBondContact O-N 3.35Å
814N81.2Confident83.8Confident76 Ų7673.5 Ų73.541%0.40636%0.355SS..Hα-helixtrans-66.4-45.9174.4-66.7-32.2000111.9S810 N811 N816 Q817 Q818S810-N814 VanDerWaalsContact O-CG 3.24Å; S810-N814 PolarHBondContact O-N 2.96Å; S810-N814 PolarHBondContact O-ND2 2.92Å; S810-N814 VanDerWaalsContact O-ND2 3.14Å; N811-N814 WeakPolarHBondContact O-CB 3.31Å; N811-N814 PolarHBondContact O-N 3.48Å; N811-N814 VanDerWaalsContact O-N 3.14Å; N814-N816 PolarHBondContact O-N 3.5Å; N814-Q817 PolarHBondContact O-N 3.27Å; N814-Q818 WeakPolarHBondContact O-CG 3.22Å; N814-Q818 PolarHBondContact O-N 3.04Å
815D81.3Confident83.5Confident88 Ų8874.1 Ų74.147%0.47136%0.358SS..Hα-helixtrans-64.2-41.5178.8-67-18.2000110.8N811 Q817 Q818 Q819N811-D815 VanDerWaalsContact O-CG 3.27Å; N811-D815 PolarHBondContact O-N 2.78Å; D815-Q817 PolarHBondContact O-N 2.9Å; D815-Q818 PolarHBondContact O-N 3.46Å; D815-Q819 WeakPolarHBondContact O-CG 3.4Å; D815-Q819 PolarHBondContact O-N 2.98Å
816N82.6Confident83.5Confident20 Ų2074.2 Ų74.211%0.10736%0.359CS..Hα-helixtrans-64.6-39.3175.2-168.1-100.9000112.1A533 H812 N814 Q819 R820A533-N816 WeakPolarHBondContact CB-ND2 3.44Å; H812-N816 WeakPolarHBondContact O-CB 3.49Å; H812-N816 PolarHBondContact O-N 3.44Å; N814-N816 PolarHBondContact O-N 3.5Å; N816-Q819 PolarHBondContact O-N 3.29Å; N816-R820 WeakPolarHBondContact O-CB 3.21Å; N816-R820 VanDerWaalsContact O-CG 3.28Å; N816-R820 WeakPolarHBondContact O-CG 3.4Å; N816-R820 PolarHBondContact O-N 2.83Å; N816-R820 PolarHBondContact OD1-NE 3Å; N816-R820 PolarHBondContact OD1-NH2 3.5Å
817Q81.3Confident83.5Confident118 Ų11874.8 Ų74.855%0.55136%0.361SS*.Hα-helixtrans-62.4-44173.9-78.5178.411.800111.5E813 N814 D815 R820 I821E813-Q817 WeakPolarHBondContact O-CB 3.49Å; E813-Q817 VanDerWaalsContact O-CG 3.3Å; E813-Q817 WeakPolarHBondContact O-CG 3.39Å; E813-Q817 PolarHBondContact O-N 3.35Å; N814-Q817 PolarHBondContact O-N 3.27Å; D815-Q817 PolarHBondContact O-N 2.9Å; Q817-R820 PolarHBondContact O-N 2.86Å; Q817-I821 WeakPolarHBondContact O-CG1 3.18Å; Q817-I821 PolarHBondContact O-N 3.18Å
818Q82.2Confident83.6Confident115 Ų11572.9 Ų72.954%0.53736%0.359SS..Hα-helixtrans-63.1-44.9176.2-71.7-176.45.100112.3N814 D815 R820 I821 Q822N814-Q818 WeakPolarHBondContact O-CG 3.22Å; N814-Q818 PolarHBondContact O-N 3.04Å; D815-Q818 PolarHBondContact O-N 3.46Å; Q818-R820 VanDerWaalsContact C-N 3.33Å; Q818-R820 PolarHBondContact O-N 3.22Å; Q818-I821 PolarHBondContact O-N 3.07Å; Q818-Q822 WeakPolarHBondContact O-CG 3.2Å; Q818-Q822 PolarHBondContact O-N 2.93Å
819Q83.4Confident83.6Confident64 Ų6471.2 Ų71.230%0.29935%0.346SS..Hα-helixtrans-62.7-38.7177-73.6-175.91.500112.3L526 S529 D815 N816 Q822 F823L526-Q819 HydrophobicContact CD2-CB 4.32Å; L526-Q819 HydrophobicContact CD2-CG 4.31Å; S529-Q819 PolarHBondContact OG-OE1 2.95Å; D815-Q819 WeakPolarHBondContact O-CG 3.4Å; D815-Q819 PolarHBondContact O-N 2.98Å; N816-Q819 PolarHBondContact O-N 3.29Å; Q819-Q822 PolarHBondContact O-N 2.96Å; Q819-F823 VanDerWaalsContact O-CB 3.31Å; Q819-F823 WeakPolarHBondContact O-CB 3.37Å; Q819-F823 PolarHBondContact O-N 3.2Å
820R82.1Confident83.7Confident116 Ų11671.2 Ų71.244%0.43835%0.346SS..Hα-helixtrans-62.7-43.4173.9-76.2178.3-172.4-141.71.8112.3V530 N816 Q817 Q818 Q822 F823 E824V530-R820 HydrophobicContact CG2-CG 4.33Å; N816-R820 WeakPolarHBondContact O-CB 3.21Å; N816-R820 VanDerWaalsContact O-CG 3.28Å; N816-R820 WeakPolarHBondContact O-CG 3.4Å; N816-R820 PolarHBondContact O-N 2.83Å; N816-R820 PolarHBondContact OD1-NE 3Å; N816-R820 PolarHBondContact OD1-NH2 3.5Å; Q817-R820 PolarHBondContact O-N 2.86Å; Q818-R820 VanDerWaalsContact C-N 3.33Å; Q818-R820 PolarHBondContact O-N 3.22Å; R820-Q822 VanDerWaalsContact C-N 3.34Å; R820-F823 PolarHBondContact O-N 2.92Å; R820-E824 WeakPolarHBondContact O-CG 3.47Å; R820-E824 PolarHBondContact O-N 3.14Å
821I82Confident83.9Confident99 Ų9972.3 Ų72.351%0.50835%0.35SS..Hα-helixtrans-61-45.9176.2-67.7164.6000110Q817 Q818 F823 E824 Q825Q817-I821 WeakPolarHBondContact O-CG1 3.18Å; Q817-I821 PolarHBondContact O-N 3.18Å; Q818-I821 PolarHBondContact O-N 3.07Å; I821-F823 VanDerWaalsContact C-N 3.31Å; I821-F823 PolarHBondContact O-N 3.34Å; I821-E824 PolarHBondContact O-N 3.13Å; I821-Q825 HydrophobicContact CG2-CG 4.46Å; I821-Q825 WeakPolarHBondContact O-CB 3.41Å; I821-Q825 VanDerWaalsContact O-CG 3.28Å; I821-Q825 WeakPolarHBondContact O-CG 3.47Å; I821-Q825 PolarHBondContact O-N 2.78Å
822Q84Confident83.9Confident68 Ų6868.8 Ų68.832%0.31834%0.335SS..Hα-helixtrans-63.3-36.4176.9-69.6-176.225.800112.6L526 Q818 Q819 R820 A826L526-Q822 HydrophobicContact CD1-CB 3.93Å; Q818-Q822 WeakPolarHBondContact O-CG 3.2Å; Q818-Q822 PolarHBondContact O-N 2.93Å; Q819-Q822 PolarHBondContact O-N 2.96Å; R820-Q822 VanDerWaalsContact C-N 3.34Å; Q822-A826 WeakPolarHBondContact O-CB 3.42Å; Q822-A826 PolarHBondContact O-N 3.05Å
823F84.6Confident84.1Confident27 Ų2767.6 Ų67.612%0.11833%0.329CS..Hα-helixtrans-66.1-45.9177.7175.9-102.5000112I523 L526 Q819 R820 I821 A826 K827I523-F823 HydrophobicContact CG2-CD2 4.45Å; I523-F823 HydrophobicContact CG2-CE2 3.85Å; L526-F823 HydrophobicContact CB-CB 4.22Å; L526-F823 HydrophobicContact CB-CD2 3.9Å; L526-F823 HydrophobicContact CD1-CB 4.24Å; Q819-F823 VanDerWaalsContact O-CB 3.31Å; Q819-F823 WeakPolarHBondContact O-CB 3.37Å; Q819-F823 PolarHBondContact O-N 3.2Å; R820-F823 PolarHBondContact O-N 2.92Å; I821-F823 VanDerWaalsContact C-N 3.31Å; I821-F823 PolarHBondContact O-N 3.34Å; F823-A826 PolarHBondContact O-N 3.29Å; F823-K827 HydrophobicContact CD1-CD 4.31Å; F823-K827 HydrophobicContact CE1-CD 3.8Å; F823-K827 VanDerWaalsContact CE1-CE 3.42Å; F823-K827 VanDerWaalsContact CE1-NZ 3.3Å; F823-K827 HydrophobicContact CZ-CD 4.02Å; F823-K827 PolarHBondContact O-N 3.35Å
824E84Confident84.4Confident102 Ų10268.1 Ų68.148%0.47733%0.334SS..Hα-helixtrans-64.2-43175.2-66.8-59.6157.800111.2R820 I821 A826 K827 E828R820-E824 WeakPolarHBondContact O-CG 3.47Å; R820-E824 PolarHBondContact O-N 3.14Å; I821-E824 PolarHBondContact O-N 3.13Å; E824-A826 PolarHBondContact O-N 3.12Å; E824-K827 WeakPolarHBondContact O-CB 3.44Å; E824-K827 PolarHBondContact O-N 2.81Å; E824-E828 WeakPolarHBondContact O-CG 3.38Å; E824-E828 PolarHBondContact O-N 3.16Å
825Q83.9Confident84.6Confident116 Ų11672.6 Ų72.654%0.54235%0.345SS..Hα-helixtrans-60.2-42.8175-74.9175.4-10.500112.8I821 E828 G829I821-Q825 HydrophobicContact CG2-CG 4.46Å; I821-Q825 WeakPolarHBondContact O-CB 3.41Å; I821-Q825 VanDerWaalsContact O-CG 3.28Å; I821-Q825 WeakPolarHBondContact O-CG 3.47Å; I821-Q825 PolarHBondContact O-N 2.78Å; Q825-E828 PolarHBondContact O-N 3.39Å; Q825-G829 PolarHBondContact O-N 2.83Å
826A85.9Confident84.9Confident5 Ų568.5 Ų68.54%0.04132%0.324CS..Hα-helixtrans-65.6-41.3177.500000111.5L519 I523 Q822 F823 E824 G829 V830L519-A826 HydrophobicContact CD2-CB 4.4Å; I523-A826 HydrophobicContact CD1-CB 4.38Å; I523-A826 HydrophobicContact CG1-CB 3.7Å; Q822-A826 WeakPolarHBondContact O-CB 3.42Å; Q822-A826 PolarHBondContact O-N 3.05Å; F823-A826 PolarHBondContact O-N 3.29Å; E824-A826 PolarHBondContact O-N 3.12Å; A826-G829 PolarHBondContact O-N 3.41Å; A826-V830 PolarHBondContact O-N 3.43Å
827K86.8Confident85.1Confident88 Ų8869.4 Ų69.438%0.38333%0.328SS..Hα-helixtrans-60.6-49.2174-86.6-175.1167.8178.50112.5I523 F823 E824 G829 V830 T831I523-K827 HydrophobicContact CD1-CG 4.02Å; I523-K827 HydrophobicContact CG1-CG 4.37Å; F823-K827 HydrophobicContact CD1-CD 4.31Å; F823-K827 HydrophobicContact CE1-CD 3.8Å; F823-K827 VanDerWaalsContact CE1-CE 3.42Å; F823-K827 VanDerWaalsContact CE1-NZ 3.3Å; F823-K827 HydrophobicContact CZ-CD 4.02Å; F823-K827 PolarHBondContact O-N 3.35Å; E824-K827 WeakPolarHBondContact O-CB 3.44Å; E824-K827 PolarHBondContact O-N 2.81Å; K827-G829 VanDerWaalsContact C-N 3.25Å; K827-G829 PolarHBondContact O-N 2.78Å; K827-V830 PolarHBondContact O-N 3.2Å; K827-T831 WeakPolarHBondContact O-CG2 3.41Å; K827-T831 PolarHBondContact O-N 3.23Å; K827-T831 PolarHBondContact O-OG1 3.27Å
828E84.4Confident85.4Confident127 Ų12768.8 Ų68.859%0.59333%0.334SS*.Hα-helixtrans-57.2-43.2175.6-73.8-178.7173.400110.7E824 Q825 V830 T831 A832E824-E828 WeakPolarHBondContact O-CG 3.38Å; E824-E828 PolarHBondContact O-N 3.16Å; Q825-E828 PolarHBondContact O-N 3.39Å; E828-V830 PolarHBondContact O-N 2.78Å; E828-T831 WeakPolarHBondContact CA-OG1 3.48Å; E828-T831 PolarHBondContact O-N 2.83Å; E828-T831 PolarHBondContact O-OG1 2.88Å; E828-A832 PolarHBondContact O-N 3.44Å
829G86.3Confident85.6Confident3 Ų366.9 Ų66.93%0.03132%0.322CS..Hα-helixtrans-56.3-49.5174.300000113.3Q825 A826 K827 T831 A832 L833Q825-G829 PolarHBondContact O-N 2.83Å; A826-G829 PolarHBondContact O-N 3.41Å; K827-G829 VanDerWaalsContact C-N 3.25Å; K827-G829 PolarHBondContact O-N 2.78Å; G829-T831 PolarHBondContact O-N 3.49Å; G829-A832 PolarHBondContact O-N 2.93Å; G829-L833 WeakPolarHBondContact O-CG 3.33Å; G829-L833 PolarHBondContact O-N 3.21Å
830V87.8Confident85.6Confident13 Ų1364.8 Ų64.88%0.07931%0.313CS..Hα-helixtrans-62.7-42177.1169.10000111.8L519 E520 I523 A826 K827 E828 A832 L833 N834L519-V830 HydrophobicContact CB-CG2 3.62Å; L519-V830 HydrophobicContact CD1-CG2 4.41Å; E520-V830 HydrophobicContact CG-CG1 4.48Å; E520-V830 HydrophobicContact CG-CG2 4.19Å; I523-V830 HydrophobicContact CD1-CB 4.07Å; I523-V830 HydrophobicContact CD1-CG2 3.54Å; A826-V830 PolarHBondContact O-N 3.43Å; K827-V830 PolarHBondContact O-N 3.2Å; E828-V830 PolarHBondContact O-N 2.78Å; V830-A832 VanDerWaalsContact C-N 3.29Å; V830-A832 PolarHBondContact O-N 3.45Å; V830-L833 PolarHBondContact O-N 2.96Å; V830-N834 WeakPolarHBondContact O-CB 3.32Å; V830-N834 PolarHBondContact O-N 3.39Å; V830-N834 PolarHBondContact O-ND2 2.84Å
831T87.5Confident85.6Confident82 Ų8266.1 Ų66.150%0.50333%0.329SS..Hα-helixtrans-64.1-33.8178.361.60000113.1K827 E828 G829K827-T831 WeakPolarHBondContact O-CG2 3.41Å; K827-T831 PolarHBondContact O-N 3.23Å; K827-T831 PolarHBondContact O-OG1 3.27Å; E828-T831 WeakPolarHBondContact CA-OG1 3.48Å; E828-T831 PolarHBondContact O-N 2.83Å; E828-T831 PolarHBondContact O-OG1 2.88Å; G829-T831 PolarHBondContact O-N 3.49Å
832A85.3Confident85.7Confident22 Ų2262.9 Ų62.918%0.18231%0.313CS..Hα-helixtrans-71.3-46174.500000111.3F499 E828 G829 V830 N834 R835F499-A832 HydrophobicContact CD2-CB 3.68Å; F499-A832 HydrophobicContact CE2-CB 4.29Å; E828-A832 PolarHBondContact O-N 3.44Å; G829-A832 PolarHBondContact O-N 2.93Å; V830-A832 VanDerWaalsContact C-N 3.29Å; V830-A832 PolarHBondContact O-N 3.45Å; A832-N834 VanDerWaalsContact C-N 3.32Å; A832-N834 PolarHBondContact O-N 3.45Å; A832-R835 WeakPolarHBondContact O-CB 3.36Å; A832-R835 PolarHBondContact O-N 2.67Å; A832-R835 VanDerWaalsContact O-N 3.07Å
833L87.3Confident85.5Confident0 Ų060.2 Ų60.20%030%0.3CS..Hα-helixtrans-59.5-40.1176.7-75.4172.6000112.5F499 L512 L515 H516 L519 G829 V830 R835 I836 L837F499-L833 HydrophobicContact CD1-CD2 4.21Å; F499-L833 HydrophobicContact CD2-CG 4.43Å; F499-L833 HydrophobicContact CE1-CD2 3.67Å; F499-L833 HydrophobicContact CE1-CG 4.21Å; F499-L833 HydrophobicContact CE2-CD1 4.26Å; F499-L833 HydrophobicContact CE2-CD2 4.02Å; F499-L833 HydrophobicContact CE2-CG 3.68Å; F499-L833 HydrophobicContact CZ-CD1 3.85Å; F499-L833 HydrophobicContact CZ-CD2 3.55Å; F499-L833 HydrophobicContact CZ-CG 3.55Å; L512-L833 HydrophobicContact CB-CD2 4.46Å; L512-L833 HydrophobicContact CD2-CD2 3.9Å; L515-L833 HydrophobicContact CD2-CD1 4.27Å; L515-L833 HydrophobicContact CG-CD1 4.27Å; H516-L833 HydrophobicContact CB-CD1 3.98Å; L519-L833 HydrophobicContact CD1-CD1 3.88Å; G829-L833 WeakPolarHBondContact O-CG 3.33Å; G829-L833 PolarHBondContact O-N 3.21Å; V830-L833 PolarHBondContact O-N 2.96Å; L833-R835 PolarHBondContact O-N 2.81Å; L833-I836 WeakPolarHBondContact O-CA 3.4Å; L833-I836 PolarHBondContact O-N 3.28Å; L833-L837 WeakPolarHBondContact O-CG 3.26Å; L833-L837 PolarHBondContact O-N 3.07Å
834N88.2Confident85.4Confident82 Ų8261.9 Ų61.944%0.43932%0.319SS..Hα-helixtrans-58.1-22.3176.6-79.1-21.3000113.9H516 V830 A832 P838H516-N834 PolarHBondContact CE1-OD1 3.46Å; V830-N834 WeakPolarHBondContact O-CB 3.32Å; V830-N834 PolarHBondContact O-N 3.39Å; V830-N834 PolarHBondContact O-ND2 2.84Å; A832-N834 VanDerWaalsContact C-N 3.32Å; A832-N834 PolarHBondContact O-N 3.45Å; N834-P838 WeakPolarHBondContact O-CD 3.42Å
835R86.1Confident85.4Confident169 Ų16959 Ų5964%0.63831%0.307SS*.Hα-helixtrans-84.5-24.8174.4-61.5177.9-177.7-174.2-0.1112.7A832 L833A832-R835 WeakPolarHBondContact O-CB 3.36Å; A832-R835 PolarHBondContact O-N 2.67Å; A832-R835 VanDerWaalsContact O-N 3.07Å; L833-R835 PolarHBondContact O-N 2.81Å
836I88Confident85.2Confident2 Ų260.2 Ų60.21%0.0132%0.317CS..Hα-helixtrans-89.8-42.3-176.7-60.1167.2000110.8L495 L496 F499 L512 L833 R839 L843L495-I836 HydrophobicContact CB-CG1 4.06Å; L496-I836 HydrophobicContact CD1-CG2 4.3Å; F499-I836 HydrophobicContact CB-CD1 3.81Å; F499-I836 HydrophobicContact CG-CD1 4.14Å; L512-I836 HydrophobicContact CD1-CG2 4.1Å; L833-I836 WeakPolarHBondContact O-CA 3.4Å; L833-I836 PolarHBondContact O-N 3.28Å; I836-R839 WeakPolarHBondContact O-CA 3.4Å; I836-R839 WeakPolarHBondContact O-CB 3.35Å; I836-R839 PolarHBondContact O-N 2.86Å; I836-L843 HydrophobicContact CG2-CD1 3.94Å
837L86.8Confident85Confident39 Ų3962.5 Ų62.520%0.20433%0.333CS..G310 helixtrans-52-43.1-173.9-71.9174.1000114.7E513 H516 L833 R839 L840E513-L837 HydrophobicContact CG-CD2 3.94Å; H516-L837 HydrophobicContact CB-CD1 4.18Å; L833-L837 WeakPolarHBondContact O-CG 3.26Å; L833-L837 PolarHBondContact O-N 3.07Å; L837-R839 PolarHBondContact O-N 2.89Å; L837-R839 VanDerWaalsContact O-N 3.1Å; L837-L840 HydrophobicContact CD2-CD1 3.84Å; L837-L840 VanDerWaalsContact O-CG 3.28Å; L837-L840 WeakPolarHBondContact O-CG 3.44Å; L837-L840 PolarHBondContact O-N 3.18Å
838P86.2Confident84.8Confident105 Ų10558.4 Ų58.468%0.68232%0.315SS*.G310 helixtrans-65.4-14.7177.2-21.634.4000114.4N834N834-P838 WeakPolarHBondContact O-CD 3.42Å
839R87.2Confident84.8Confident75 Ų7554.3 Ų54.328%0.28330%0.303SS..G310 helixtrans-105.25.8-175.4-54.9-174.9-178-165.5-4.3113.1E491 A492 I836 L837 N841 L842 L843E491-R839 IonicContact OE2-CZ 2.66Å; E491-R839 IonicContact OE2-NH1 2.7Å; E491-R839 PolarHBondContact OE2-NH1 3.2Å; E491-R839 VanDerWaalsContact OE2-NH1 3.16Å; E491-R839 IonicContact OE2-NH2 3.5Å; A492-R839 HydrophobicContact CB-CB 3.9Å; A492-R839 HydrophobicContact CB-CG 4.5Å; I836-R839 WeakPolarHBondContact O-CA 3.4Å; I836-R839 WeakPolarHBondContact O-CB 3.35Å; I836-R839 PolarHBondContact O-N 2.86Å; L837-R839 PolarHBondContact O-N 2.89Å; L837-R839 VanDerWaalsContact O-N 3.1Å; R839-N841 VanDerWaalsContact C-N 3.26Å; R839-N841 PolarHBondContact O-N 3.29Å; R839-L842 WeakPolarHBondContact O-CB 3.36Å; R839-L842 PolarHBondContact O-N 2.66Å; R839-L843 PolarHBondContact O-N 3.38Å; R839-L843 VanDerWaalsContact O-N 3.16Å
840L82.9Confident84.6Confident20 Ų2059.7 Ų59.711%0.10533%0.331CS..Hα-helixtrans-54.3-41.8-179.3-71.2171.2000112.6I509 L512 E513 L837 L842 L843 A844I509-L840 HydrophobicContact CG2-CD2 3.71Å; L512-L840 HydrophobicContact CB-CD2 4.43Å; L512-L840 HydrophobicContact CD1-CD2 3.73Å; E513-L840 HydrophobicContact CG-CD1 4.01Å; L837-L840 HydrophobicContact CD2-CD1 3.84Å; L837-L840 VanDerWaalsContact O-CG 3.28Å; L837-L840 WeakPolarHBondContact O-CG 3.44Å; L837-L840 PolarHBondContact O-N 3.18Å; L840-L842 PolarHBondContact O-N 3.21Å; L840-L843 PolarHBondContact O-N 3.18Å; L840-L843 VanDerWaalsContact O-N 3.13Å; L840-A844 PolarHBondContact O-N 3.18Å
841N82.1Confident84.5Confident144 Ų14462.8 Ų62.877%0.7734%0.342SS*.Hα-helixtrans-62.5-29.8178.7-66-19.9000113.4R839R839-N841 VanDerWaalsContact C-N 3.26Å; R839-N841 PolarHBondContact O-N 3.29Å
842L83.6Confident84.4Confident32 Ų3259 Ų5917%0.16832%0.318CS..Hα-helixtrans-76.6-39.4175.3-70.7168.9000110.8R485 E488 Q489 R839 L840 A844 D845 L848R485-L842 HydrophobicContact CB-CD2 4.34Å; E488-L842 HydrophobicContact CB-CD1 3.84Å; Q489-L842 HydrophobicContact CB-CB 4.41Å; Q489-L842 WeakPolarHBondContact CG-O 3.37Å; Q489-L842 PolarHBondContact NE2-O 2.92Å; R839-L842 WeakPolarHBondContact O-CB 3.36Å; R839-L842 PolarHBondContact O-N 2.66Å; L840-L842 PolarHBondContact O-N 3.21Å; L842-A844 VanDerWaalsContact C-N 3.28Å; L842-A844 PolarHBondContact O-N 3.19Å; L842-D845 PolarHBondContact O-N 3.34Å; L842-L848 HydrophobicContact CD2-CD1 4.32Å
843L81.6Confident84.3Confident11 Ų1161.8 Ų61.86%0.05833%0.33CS..Hα-helixtrans-65-32.2176.9-71.6172.4000112.5A492 E493 L496 I509 I836 R839 L840 D845A492-L843 HydrophobicContact CB-CD1 4.24Å; A492-L843 HydrophobicContact CB-CD2 3.7Å; A492-L843 HydrophobicContact CB-CG 3.84Å; E493-L843 HydrophobicContact CB-CD2 4.37Å; E493-L843 HydrophobicContact CG-CD2 3.65Å; L496-L843 HydrophobicContact CD1-CD1 4.44Å; I509-L843 HydrophobicContact CD1-CB 3.86Å; I509-L843 WeakPolarHBondContact CD1-O 3.03Å; I509-L843 HydrophobicContact CG1-CB 4.36Å; I836-L843 HydrophobicContact CG2-CD1 3.94Å; R839-L843 PolarHBondContact O-N 3.38Å; R839-L843 VanDerWaalsContact O-N 3.16Å; L840-L843 PolarHBondContact O-N 3.18Å; L840-L843 VanDerWaalsContact O-N 3.13Å; L843-D845 VanDerWaalsContact C-N 3.32Å
844A81.5Confident84Confident62 Ų6266.2 Ų66.251%0.51235%0.351SS..THydrogen-bonded Turntrans-81.5-4.9178.800000114.3L840 L842 D846L840-A844 PolarHBondContact O-N 3.18Å; L842-A844 VanDerWaalsContact C-N 3.28Å; L842-A844 PolarHBondContact O-N 3.19Å; A844-D846 PolarHBondContact O-N 2.88Å
845D84.1Confident84Confident42 Ų4263 Ų6323%0.22533%0.333CS..  trans-97.386.5-175.8-166.8-13.8000111.9Q489 L842 L843 S847 L848 R851Q489-D845 PolarHBondContact NE2-O 3.01Å; L842-D845 PolarHBondContact O-N 3.34Å; L843-D845 VanDerWaalsContact C-N 3.32Å; D845-S847 PolarHBondContact O-N 2.85Å; D845-S847 PolarHBondContact OD1-N 3.35Å; D845-S847 PolarHBondContact OD1-OG 3.37Å; D845-L848 HydrophobicContact CB-CD1 4.41Å; D845-R851 IonicContact OD1-CZ 2.73Å; D845-R851 IonicContact OD1-NH2 3.04Å; D845-R851 PolarHBondContact OD1-NH2 3.47Å; D845-R851 IonicContact OD2-CZ 3.72Å; D845-R851 IonicContact OD2-NH1 3.12Å; D845-R851 IonicContact OD2-NH2 3.87Å; D845-R851 PolarHBondContact OD2-NH2 3.47Å
846D79.9Confident84Confident142 Ų14259.9 Ų59.976%0.75932%0.322SS*.THydrogen-bonded Turntrans-69.8-15.7179-62.2-25.8000113.3A844 L848A844-D846 PolarHBondContact O-N 2.88Å; D846-L848 PolarHBondContact O-N 3.48Å
847S81.6Confident83.7Confident53 Ų5366.4 Ų66.437%0.37135%0.352SS..THydrogen-bonded Turntrans-88.81-173.174.10000114.2D845 R851D845-S847 PolarHBondContact O-N 2.85Å; D845-S847 PolarHBondContact OD1-N 3.35Å; D845-S847 PolarHBondContact OD1-OG 3.37Å; S847-R851 WeakPolarHBondContact O-CG 3.18Å; S847-R851 PolarHBondContact O-N 2.98Å; S847-R851 PolarHBondContact O-NE 2.98Å; S847-R851 PolarHBondContact OG-NE 3.43Å; S847-R851 PolarHBondContact OG-NH2 2.83Å
848L83Confident83.6Confident1 Ų170.4 Ų70.41%0.00536%0.364CS..Hα-helixtrans-73.3-40-170-143.9148.5000112.5L482 R485 L486 L842 D845 D846 R851 V852L482-L848 WeakPolarHBondContact O-CD2 3.34Å; R485-L848 HydrophobicContact CB-CD1 4.1Å; R485-L848 HydrophobicContact CB-CD2 4.03Å; L486-L848 HydrophobicContact CB-CD2 3.77Å; L486-L848 HydrophobicContact CD1-CD2 4.15Å; L842-L848 HydrophobicContact CD2-CD1 4.32Å; D845-L848 HydrophobicContact CB-CD1 4.41Å; D846-L848 PolarHBondContact O-N 3.48Å; L848-R851 VanDerWaalsContact CA-NH2 3.29Å; L848-R851 PolarHBondContact O-N 3.4Å; L848-V852 WeakPolarHBondContact O-CG2 3.4Å; L848-V852 PolarHBondContact O-N 3.03Å; L848-V852 VanDerWaalsContact O-N 3.17Å
849A83.3Confident83.7Confident42 Ų4265.9 Ų65.935%0.34734%0.335SS..Hα-helixtrans-62.9-48.4173.900000111.7L486 R851 V852 D853L486-A849 HydrophobicContact CD1-CB 4.36Å; A849-R851 VanDerWaalsContact C-N 3.27Å; A849-R851 PolarHBondContact O-N 3.36Å; A849-V852 WeakPolarHBondContact O-CB 3.35Å; A849-V852 PolarHBondContact O-N 3.18Å; A849-D853 PolarHBondContact O-N 2.8Å
850D81.7Confident83.5Confident115 Ų11566.7 Ų66.762%0.61535%0.345SS*.Hα-helixtrans-57.2-40.1179-63.3-22000112.1D853 E854D850-D853 PolarHBondContact O-N 3.04Å; D850-E854 PolarHBondContact O-N 3.29Å
851R87Confident83.5Confident79 Ų7971.7 Ų71.730%0.29837%0.367SS..Hα-helixtrans-69.3-32.4176.7-73.9176.8-66173.83.4113.3L482 D845 S847 L848 A849 I855L482-R851 HydrophobicContact CD1-CB 4.21Å; D845-R851 IonicContact OD1-CZ 2.73Å; D845-R851 IonicContact OD1-NH2 3.04Å; D845-R851 PolarHBondContact OD1-NH2 3.47Å; D845-R851 IonicContact OD2-CZ 3.72Å; D845-R851 IonicContact OD2-NH1 3.12Å; D845-R851 IonicContact OD2-NH2 3.87Å; D845-R851 PolarHBondContact OD2-NH2 3.47Å; S847-R851 WeakPolarHBondContact O-CG 3.18Å; S847-R851 PolarHBondContact O-N 2.98Å; S847-R851 PolarHBondContact O-NE 2.98Å; S847-R851 PolarHBondContact OG-NE 3.43Å; S847-R851 PolarHBondContact OG-NH2 2.83Å; L848-R851 VanDerWaalsContact CA-NH2 3.29Å; L848-R851 PolarHBondContact O-N 3.4Å; A849-R851 VanDerWaalsContact C-N 3.27Å; A849-R851 PolarHBondContact O-N 3.36Å; R851-I855 VanDerWaalsContact O-CG1 3.31Å; R851-I855 WeakPolarHBondContact O-CG1 3.18Å; R851-I855 PolarHBondContact O-N 3.4Å
852V85.4Confident83.7Confident2 Ų264.9 Ų64.91%0.01233%0.331CS..Hα-helixtrans-66.4-46174167.80000109.6L479 L482 E483 L486 L848 A849 I855 R856L479-V852 HydrophobicContact CD1-CG1 3.86Å; L482-V852 HydrophobicContact CB-CG2 3.59Å; E483-V852 HydrophobicContact CG-CG1 4.14Å; L486-V852 HydrophobicContact CD2-CG2 4.33Å; L848-V852 WeakPolarHBondContact O-CG2 3.4Å; L848-V852 PolarHBondContact O-N 3.03Å; L848-V852 VanDerWaalsContact O-N 3.17Å; A849-V852 WeakPolarHBondContact O-CB 3.35Å; A849-V852 PolarHBondContact O-N 3.18Å; V852-I855 PolarHBondContact O-N 3.32Å; V852-R856 WeakPolarHBondContact O-CG 3.27Å; V852-R856 PolarHBondContact O-N 2.93Å; V852-R856 VanDerWaalsContact O-N 3.07Å
853D82.6Confident83.8Confident81 Ų8165.4 Ų65.443%0.43333%0.333SS..Hα-helixtrans-64.8-43-179.5-69.9-21.2000111.4A849 D850 I855 R856 E857A849-D853 PolarHBondContact O-N 2.8Å; D850-D853 PolarHBondContact O-N 3.04Å; D853-I855 VanDerWaalsContact C-N 3.32Å; D853-I855 PolarHBondContact O-N 3.46Å; D853-R856 PolarHBondContact O-N 3.2Å; D853-R856 VanDerWaalsContact O-N 3.15Å; D853-R856 IonicContact OD1-NH1 3.88Å; D853-E857 PolarHBondContact O-N 3.3Å; D853-E857 VanDerWaalsContact O-N 3.1Å
854E81.2Confident83.7Confident93 Ų9371.3 Ų71.344%0.43536%0.36SS..Hα-helixtrans-58.1-40.2175.7-170.9-172.8176.300112.7D850 R858D850-E854 PolarHBondContact O-N 3.29Å; E854-R858 WeakPolarHBondContact O-CG 3.47Å; E854-R858 PolarHBondContact O-N 3.43Å; E854-R858 IonicContact OE1-CZ 2.8Å; E854-R858 IonicContact OE1-NE 3.79Å; E854-R858 IonicContact OE1-NH2 2.81Å; E854-R858 PolarHBondContact OE1-NH2 3.26Å
855I87.6Confident83.8Confident14 Ų1468.4 Ų68.47%0.07234%0.336CS..Hα-helixtrans-74.2-32179.6-65.5-67.9000111.7L475 L479 L482 R851 V852 D853 L859L475-I855 HydrophobicContact CD2-CD1 4.24Å; L475-I855 HydrophobicContact CD2-CG2 4.38Å; L479-I855 HydrophobicContact CB-CG2 3.82Å; L479-I855 HydrophobicContact CD1-CG2 4.3Å; L482-I855 HydrophobicContact CD1-CG1 4.06Å; R851-I855 VanDerWaalsContact O-CG1 3.31Å; R851-I855 WeakPolarHBondContact O-CG1 3.18Å; R851-I855 PolarHBondContact O-N 3.4Å; V852-I855 PolarHBondContact O-N 3.32Å; D853-I855 VanDerWaalsContact C-N 3.32Å; D853-I855 PolarHBondContact O-N 3.46Å; I855-L859 WeakPolarHBondContact O-CB 3.33Å; I855-L859 PolarHBondContact O-N 2.91Å
856R86.6Confident83.7Confident104 Ų10468.1 Ų68.139%0.39234%0.339SS..Hα-helixtrans-64.5-47.8175-76.9176.8174.4171.5-3.2111.7L479 E483 V852 D853 R858 L859 D860L479-R856 HydrophobicContact CD1-CG 3.57Å; L479-R856 HydrophobicContact CD2-CG 3.74Å; L479-R856 HydrophobicContact CG-CG 4.32Å; E483-R856 IonicContact OE1-CZ 3.34Å; E483-R856 IonicContact OE1-NE 3.78Å; E483-R856 PolarHBondContact OE1-NE 2.91Å; E483-R856 IonicContact OE1-NH2 3.87Å; E483-R856 PolarHBondContact OE1-NH2 3.4Å; V852-R856 WeakPolarHBondContact O-CG 3.27Å; V852-R856 PolarHBondContact O-N 2.93Å; V852-R856 VanDerWaalsContact O-N 3.07Å; D853-R856 PolarHBondContact O-N 3.2Å; D853-R856 VanDerWaalsContact O-N 3.15Å; D853-R856 IonicContact OD1-NH1 3.88Å; R856-R858 VanDerWaalsContact C-N 3.35Å; R856-R858 PolarHBondContact O-N 3.05Å; R856-L859 WeakPolarHBondContact O-CB 3.48Å; R856-L859 PolarHBondContact O-N 3.46Å; R856-L859 VanDerWaalsContact O-N 3.1Å; R856-D860 PolarHBondContact O-N 2.93Å
857E82.7Confident83.8Confident139 Ų13967.8 Ų67.865%0.6533%0.328SS*.Hα-helixtrans-58.3-46.5178.9-70.6-175.3165.200111.6D853 L859 D860 E861D853-E857 PolarHBondContact O-N 3.3Å; D853-E857 VanDerWaalsContact O-N 3.1Å; E857-L859 VanDerWaalsContact C-N 3.29Å; E857-L859 PolarHBondContact O-N 3.2Å; E857-D860 PolarHBondContact O-N 3.41Å; E857-E861 PolarHBondContact O-N 3.32Å; E857-E861 VanDerWaalsContact O-N 3.14Å
858R84.5Confident83.8Confident122 Ų12267.4 Ų67.446%0.4632%0.319SS..Hα-helixtrans-63-35.3176.2-68.5-177-171.6-171.74.9113.2L475 E854 R856 D860 A862L475-R858 HydrophobicContact CD1-CB 4.03Å; L475-R858 HydrophobicContact CD2-CB 4.26Å; E854-R858 WeakPolarHBondContact O-CG 3.47Å; E854-R858 PolarHBondContact O-N 3.43Å; E854-R858 IonicContact OE1-CZ 2.8Å; E854-R858 IonicContact OE1-NE 3.79Å; E854-R858 IonicContact OE1-NH2 2.81Å; E854-R858 PolarHBondContact OE1-NH2 3.26Å; R856-R858 VanDerWaalsContact C-N 3.35Å; R856-R858 PolarHBondContact O-N 3.05Å; R858-D860 VanDerWaalsContact C-N 3.34Å; R858-A862 WeakPolarHBondContact O-CB 3.38Å; R858-A862 PolarHBondContact O-N 3.47Å; R858-A862 VanDerWaalsContact O-N 3.16Å
859L86.9Confident83.7Confident11 Ų1169.1 Ų69.16%0.05833%0.33CS..Hα-helixtrans-68-37.5177.9176.462.3000111.1V472 L475 R476 L479 I855 R856 E857 A862 Q863V472-L859 HydrophobicContact CG1-CD1 4.01Å; V472-L859 WeakPolarHBondContact O-CD1 3.48Å; L475-L859 HydrophobicContact CB-CB 4.21Å; L475-L859 HydrophobicContact CB-CD1 3.94Å; R476-L859 HydrophobicContact CG-CD1 3.69Å; R476-L859 HydrophobicContact CG-CD2 3.77Å; R476-L859 HydrophobicContact CG-CG 4.41Å; L479-L859 HydrophobicContact CD2-CD2 3.95Å; I855-L859 WeakPolarHBondContact O-CB 3.33Å; I855-L859 PolarHBondContact O-N 2.91Å; R856-L859 WeakPolarHBondContact O-CB 3.48Å; R856-L859 PolarHBondContact O-N 3.46Å; R856-L859 VanDerWaalsContact O-N 3.1Å; E857-L859 VanDerWaalsContact C-N 3.29Å; E857-L859 PolarHBondContact O-N 3.2Å; L859-A862 PolarHBondContact O-N 2.89Å; L859-Q863 HydrophobicContact CD1-CG 4.37Å; L859-Q863 WeakPolarHBondContact O-CB 3.17Å; L859-Q863 VanDerWaalsContact O-CG 3.27Å; L859-Q863 WeakPolarHBondContact O-CG 3.28Å; L859-Q863 PolarHBondContact O-N 2.68Å
860D82.8Confident83.5Confident92 Ų9274.8 Ų74.849%0.49235%0.349SS..Hα-helixtrans-66.3-46.2177.6-73.8-19.4000111.2R856 E857 R858 A862 Q863 E864R856-D860 PolarHBondContact O-N 2.93Å; E857-D860 PolarHBondContact O-N 3.41Å; R858-D860 VanDerWaalsContact C-N 3.34Å; D860-A862 VanDerWaalsContact C-N 3.34Å; D860-A862 PolarHBondContact O-N 3.41Å; D860-Q863 WeakPolarHBondContact O-CB 3.36Å; D860-Q863 PolarHBondContact O-N 3.28Å; D860-Q863 VanDerWaalsContact O-N 3.09Å; D860-E864 PolarHBondContact O-N 3.46Å
861E82.9Confident83.5Confident124 Ų12475.3 Ų75.358%0.57935%0.348SS*.Hα-helixtrans-55.8-46.7173.9-70.5-177.8171.900112.1E857 Q863 E864 A865E857-E861 PolarHBondContact O-N 3.32Å; E857-E861 VanDerWaalsContact O-N 3.14Å; E861-Q863 VanDerWaalsContact C-N 3.29Å; E861-Q863 PolarHBondContact O-N 3.26Å; E861-E864 PolarHBondContact O-N 3.15Å; E861-A865 PolarHBondContact O-N 3.44Å; E861-A865 VanDerWaalsContact O-N 3.13Å
862A86.4Confident83.3Confident2 Ų273.8 Ų73.82%0.01734%0.343CS..Hα-helixtrans-64.1-33.5178.100000112.5L468 Q471 V472 L475 R858 L859 D860 A866L468-A862 WeakPolarHBondContact O-CB 3.48Å; Q471-A862 HydrophobicContact CB-CB 4.48Å; V472-A862 HydrophobicContact CG2-CB 3.64Å; V472-A862 WeakPolarHBondContact CG2-O 3.28Å; L475-A862 HydrophobicContact CD1-CB 4.24Å; R858-A862 WeakPolarHBondContact O-CB 3.38Å; R858-A862 PolarHBondContact O-N 3.47Å; R858-A862 VanDerWaalsContact O-N 3.16Å; L859-A862 PolarHBondContact O-N 2.89Å; D860-A862 VanDerWaalsContact C-N 3.34Å; D860-A862 PolarHBondContact O-N 3.41Å; A862-A866 PolarHBondContact O-N 3.28Å; A862-A866 VanDerWaalsContact O-N 3.11Å
863Q85.6Confident83.1Confident42 Ų4274.1 Ų74.120%0.19635%0.347CS..Hα-helixtrans-72.9-36.7176.6-76.6-178.631.300112.7V472 L859 D860 E861 A865 A866 R867V472-Q863 HydrophobicContact CG1-CG 4.1Å; V472-Q863 HydrophobicContact CG2-CG 4.16Å; L859-Q863 HydrophobicContact CD1-CG 4.37Å; L859-Q863 WeakPolarHBondContact O-CB 3.17Å; L859-Q863 VanDerWaalsContact O-CG 3.27Å; L859-Q863 WeakPolarHBondContact O-CG 3.28Å; L859-Q863 PolarHBondContact O-N 2.68Å; D860-Q863 WeakPolarHBondContact O-CB 3.36Å; D860-Q863 PolarHBondContact O-N 3.28Å; D860-Q863 VanDerWaalsContact O-N 3.09Å; E861-Q863 VanDerWaalsContact C-N 3.29Å; E861-Q863 PolarHBondContact O-N 3.26Å; Q863-A865 VanDerWaalsContact C-N 3.33Å; Q863-A866 PolarHBondContact O-N 3.17Å; Q863-R867 WeakPolarHBondContact O-CG 3.25Å; Q863-R867 PolarHBondContact O-N 3.25Å; Q863-R867 VanDerWaalsContact O-N 3.09Å
864E80.7Confident83Confident135 Ų13576.3 Ų76.363%0.63136%0.359SS*.Hα-helixtrans-62.2-43.6173.6-70.8-172.1166.200111.2D860 E861 A866 R867 F868D860-E864 PolarHBondContact O-N 3.46Å; E861-E864 PolarHBondContact O-N 3.15Å; E864-A866 VanDerWaalsContact C-N 3.34Å; E864-A866 PolarHBondContact O-N 3.25Å; E864-R867 WeakPolarHBondContact O-CB 3.5Å; E864-R867 PolarHBondContact O-N 3.01Å; E864-R867 VanDerWaalsContact O-N 3.14Å; E864-F868 PolarHBondContact O-N 2.88Å
865A82.9Confident83.1Confident1 Ų174.8 Ų74.81%0.00835%0.352CS..Hα-helixtrans-59.7-43.2174.800000112.6Q465 L468 A469 E861 Q863 R867 F868 V869Q465-A865 WeakPolarHBondContact O-CB 3.47Å; L468-A865 HydrophobicContact CB-CB 3.51Å; L468-A865 HydrophobicContact CD1-CB 4.4Å; A469-A865 HydrophobicContact CB-CB 4.5Å; E861-A865 PolarHBondContact O-N 3.44Å; E861-A865 VanDerWaalsContact O-N 3.13Å; Q863-A865 VanDerWaalsContact C-N 3.33Å; A865-R867 VanDerWaalsContact C-N 3.3Å; A865-R867 PolarHBondContact O-N 3.49Å; A865-F868 PolarHBondContact O-N 3.22Å; A865-V869 WeakPolarHBondContact O-CG2 3.44Å; A865-V869 PolarHBondContact O-N 3.48Å; A865-V869 VanDerWaalsContact O-N 3.11Å
866A82.1Confident83Confident36 Ų3674.4 Ų74.430%0.29835%0.35SS..Hα-helixtrans-60.7-38.1175.500000112.5A469 A862 Q863 E864 Q870A469-A866 HydrophobicContact CB-CB 3.77Å; A862-A866 PolarHBondContact O-N 3.28Å; A862-A866 VanDerWaalsContact O-N 3.11Å; Q863-A866 PolarHBondContact O-N 3.17Å; E864-A866 VanDerWaalsContact C-N 3.34Å; E864-A866 PolarHBondContact O-N 3.25Å; A866-Q870 WeakPolarHBondContact O-CB 3.47Å; A866-Q870 PolarHBondContact O-N 2.97Å
867R82.2Confident82.7Confident135 Ų13571.8 Ų71.851%0.50935%0.35SS..Hα-helixtrans-66.5-42.3175.3-70177.9-170.9163.49.4112.1Q863 E864 A865 V869 Q870 Q871Q863-R867 WeakPolarHBondContact O-CG 3.25Å; Q863-R867 PolarHBondContact O-N 3.25Å; Q863-R867 VanDerWaalsContact O-N 3.09Å; E864-R867 WeakPolarHBondContact O-CB 3.5Å; E864-R867 PolarHBondContact O-N 3.01Å; E864-R867 VanDerWaalsContact O-N 3.14Å; A865-R867 VanDerWaalsContact C-N 3.3Å; A865-R867 PolarHBondContact O-N 3.49Å; R867-V869 VanDerWaalsContact C-N 3.34Å; R867-V869 PolarHBondContact O-N 3.06Å; R867-Q870 WeakPolarHBondContact O-CB 3.36Å; R867-Q870 PolarHBondContact O-N 3.5Å; R867-Q871 WeakPolarHBondContact O-CG 3.29Å; R867-Q871 PolarHBondContact O-N 3.44Å
868F81Confident82.7Confident45 Ų4571.8 Ų71.820%0.19735%0.348CS..Hα-helixtrans-58.7-46.4177.2179.1-91.3000111.5Q465 E864 A865 Q870 Q871 F872 L876Q465-F868 HydrophobicContact CB-CD1 3.72Å; Q465-F868 HydrophobicContact CB-CE1 4.3Å; Q465-F868 HydrophobicContact CB-CG 4.5Å; Q465-F868 HydrophobicContact CG-CD1 3.6Å; Q465-F868 HydrophobicContact CG-CE1 3.98Å; Q465-F868 HydrophobicContact CG-CG 4.18Å; E864-F868 PolarHBondContact O-N 2.88Å; A865-F868 PolarHBondContact O-N 3.22Å; F868-Q870 VanDerWaalsContact C-N 3.31Å; F868-Q870 PolarHBondContact O-N 2.85Å; F868-Q871 PolarHBondContact O-N 3.44Å; F868-F872 AromaticContact CD2-CD2 3.76Å; F868-F872 HydrophobicContact CD2-CD2 3.76Å; F868-F872 HydrophobicContact CD2-CE2 4.22Å; F868-F872 AromaticContact CE2-CD2 3.69Å; F868-F872 HydrophobicContact CE2-CD2 3.69Å; F868-F872 HydrophobicContact CE2-CE2 4.23Å; F868-F872 HydrophobicContact CG-CD2 4.4Å; F868-F872 HydrophobicContact CZ-CD2 4.28Å; F868-F872 PolarHBondContact O-N 3.41Å; F868-L876 HydrophobicContact CE1-CD1 4.3Å
869V82Confident82.7Confident37 Ų3766 Ų6622%0.22433%0.326CS..Hα-helixtrans-62.2-39.8177.3176.50000111.3Q465 R466 A865 R867 G873Q465-V869 HydrophobicContact CB-CG2 4.04Å; R466-V869 HydrophobicContact CB-CG2 4.39Å; R466-V869 HydrophobicContact CG-CB 4.5Å; R466-V869 HydrophobicContact CG-CG1 3.93Å; R466-V869 HydrophobicContact CG-CG2 3.66Å; A865-V869 WeakPolarHBondContact O-CG2 3.44Å; A865-V869 PolarHBondContact O-N 3.48Å; A865-V869 VanDerWaalsContact O-N 3.11Å; R867-V869 VanDerWaalsContact C-N 3.34Å; R867-V869 PolarHBondContact O-N 3.06Å; V869-G873 WeakPolarHBondContact O-CA 3.27Å; V869-G873 PolarHBondContact O-N 3.45Å
870Q79.6Confident82.4Confident161 Ų16171.1 Ų71.175%0.75235%0.35SS*.Hα-helixtrans-64.9-39177-169.8-1799.700112.3A866 R867 F868A866-Q870 WeakPolarHBondContact O-CB 3.47Å; A866-Q870 PolarHBondContact O-N 2.97Å; R867-Q870 WeakPolarHBondContact O-CB 3.36Å; R867-Q870 PolarHBondContact O-N 3.5Å; F868-Q870 VanDerWaalsContact C-N 3.31Å; F868-Q870 PolarHBondContact O-N 2.85Å
871Q80.6Confident82.5Confident126 Ų12671.3 Ų71.359%0.58936%0.356SS*.Hα-helixtrans-75.4-49.8-177.7-72.7179.2-2.900112.9R867 F868R867-Q871 WeakPolarHBondContact O-CG 3.29Å; R867-Q871 PolarHBondContact O-N 3.44Å; F868-Q871 PolarHBondContact O-N 3.44Å
872F82.9Confident82.4Confident47 Ų4767.5 Ų67.521%0.20634%0.34CS..Hα-helixtrans-109-6.4-169-59.6-71.4000114.1I442 F868 N874 Q875 L876I442-F872 HydrophobicContact CB-CD1 4.4Å; I442-F872 HydrophobicContact CG1-CD1 4.31Å; I442-F872 HydrophobicContact CG2-CB 4.37Å; I442-F872 HydrophobicContact CG2-CD1 4.12Å; I442-F872 HydrophobicContact CG2-CG 4.3Å; F868-F872 AromaticContact CD2-CD2 3.76Å; F868-F872 HydrophobicContact CD2-CD2 3.76Å; F868-F872 HydrophobicContact CD2-CE2 4.22Å; F868-F872 AromaticContact CE2-CD2 3.69Å; F868-F872 HydrophobicContact CE2-CD2 3.69Å; F868-F872 HydrophobicContact CE2-CE2 4.23Å; F868-F872 HydrophobicContact CG-CD2 4.4Å; F868-F872 HydrophobicContact CZ-CD2 4.28Å; F868-F872 PolarHBondContact O-N 3.41Å; F872-N874 VanDerWaalsContact C-N 3.33Å; F872-N874 PolarHBondContact O-N 3.37Å; F872-Q875 PolarHBondContact O-N 3.4Å; F872-L876 HydrophobicContact CB-CD1 4.4Å; F872-L876 WeakPolarHBondContact O-CG 3.4Å; F872-L876 PolarHBondContact O-N 3.34Å
873G80.7Confident82.2Confident9 Ų968.2 Ų68.29%0.09334%0.344CS..Hα-helixtrans-57.3-40.8-174.700000114.2V869 A877V869-G873 WeakPolarHBondContact O-CA 3.27Å; V869-G873 PolarHBondContact O-N 3.45Å; G873-A877 WeakPolarHBondContact O-CB 3.45Å; G873-A877 PolarHBondContact O-N 2.9Å
874N81.7Confident82Confident128 Ų12869.4 Ų69.468%0.68436%0.356SS*.Hα-helixtrans-69-34.8177.5-74-19.6000112.7F872 K878F872-N874 VanDerWaalsContact C-N 3.33Å; F872-N874 PolarHBondContact O-N 3.37Å; N874-K878 WeakPolarHBondContact O-CG 3.44Å; N874-K878 PolarHBondContact O-N 3Å; N874-K878 VanDerWaalsContact O-N 3.14Å
875Q81.8Confident82Confident60 Ų6064.7 Ų64.728%0.2834%0.337SS..Hα-helixtrans-74.8-42.1-179.4-63.6171.9-4.200110.4I442 F872 A877 K878 L879I442-Q875 HydrophobicContact CD1-CB 3.76Å; I442-Q875 HydrophobicContact CG1-CB 3.72Å; F872-Q875 PolarHBondContact O-N 3.4Å; Q875-A877 VanDerWaalsContact C-N 3.32Å; Q875-A877 PolarHBondContact O-N 2.9Å; Q875-K878 PolarHBondContact O-N 3.18Å; Q875-L879 WeakPolarHBondContact O-CB 3.42Å; Q875-L879 PolarHBondContact O-N 2.9Å
876L85.2Confident81.8Confident7 Ų765.2 Ų65.24%0.03734%0.34CS..Hα-helixtrans-57.3-45171.5-71.4167.8000111.3I442 L458 L459 F868 F872 K878 L879 E880I442-L876 HydrophobicContact CD1-CD2 3.85Å; I442-L876 HydrophobicContact CD1-CG 4.04Å; L458-L876 HydrophobicContact CB-CD2 3.93Å; L458-L876 WeakPolarHBondContact O-CD2 3.43Å; L459-L876 HydrophobicContact CD2-CB 4.31Å; L459-L876 HydrophobicContact CD2-CD2 4.12Å; F868-L876 HydrophobicContact CE1-CD1 4.3Å; F872-L876 HydrophobicContact CB-CD1 4.4Å; F872-L876 WeakPolarHBondContact O-CG 3.4Å; F872-L876 PolarHBondContact O-N 3.34Å; L876-K878 VanDerWaalsContact C-N 3.33Å; L876-K878 PolarHBondContact O-N 2.97Å; L876-L879 PolarHBondContact O-N 2.97Å; L876-E880 PolarHBondContact O-N 2.72Å; L876-E880 VanDerWaalsContact O-N 3.11Å
877A81Confident81.5Confident48 Ų4869.6 Ų69.640%0.39735%0.354SS..Hα-helixtrans-64.2-33.9177.800000113.5G873 Q875 P881G873-A877 WeakPolarHBondContact O-CB 3.45Å; G873-A877 PolarHBondContact O-N 2.9Å; Q875-A877 VanDerWaalsContact C-N 3.32Å; Q875-A877 PolarHBondContact O-N 2.9Å; A877-P881 VanDerWaalsContact O-CD 3.29Å; A877-P881 WeakPolarHBondContact O-CD 3.41Å
878K82.5Confident80.6Confident139 Ų13967.6 Ų67.660%0.60436%0.361SS*.Hα-helixtrans-76.2-32.6175.7-74.2179.6-178-176.70113L438 N874 Q875 L876 P881L438-K878 HydrophobicContact CD1-CB 4.03Å; L438-K878 HydrophobicContact CD2-CB 4.18Å; N874-K878 WeakPolarHBondContact O-CG 3.44Å; N874-K878 PolarHBondContact O-N 3Å; N874-K878 VanDerWaalsContact O-N 3.14Å; Q875-K878 PolarHBondContact O-N 3.18Å; L876-K878 VanDerWaalsContact C-N 3.33Å; L876-K878 PolarHBondContact O-N 2.97Å; K878-P881 WeakPolarHBondContact O-CD 2.9Å
879L84.1Confident79.8Confident0 Ų069.7 Ų69.70%037%0.374CS..Hα-helixtrans-70.1-40.6179.3179.461.6000111.6L438 V439 I442 A455 Q875 L876 I882 V883L438-L879 HydrophobicContact CB-CB 4.33Å; L438-L879 HydrophobicContact CB-CD1 4.02Å; V439-L879 HydrophobicContact CG2-CD1 3.58Å; V439-L879 HydrophobicContact CG2-CD2 3.99Å; V439-L879 HydrophobicContact CG2-CG 4.44Å; I442-L879 HydrophobicContact CD1-CD2 4.18Å; A455-L879 HydrophobicContact CB-CD1 4.45Å; A455-L879 HydrophobicContact CB-CD2 3.93Å; A455-L879 HydrophobicContact CB-CG 4.45Å; Q875-L879 WeakPolarHBondContact O-CB 3.42Å; Q875-L879 PolarHBondContact O-N 2.9Å; L876-L879 PolarHBondContact O-N 2.97Å; L879-I882 PolarHBondContact O-N 3.39Å; L879-V883 HydrophobicContact CD1-CG2 4.27Å; L879-V883 HydrophobicContact CG-CG2 4.38Å; L879-V883 WeakPolarHBondContact O-CB 3.38Å; L879-V883 PolarHBondContact O-N 2.83Å
880E82.5Confident78.8Confident119 Ų11970.2 Ų70.256%0.55638%0.378SS*.THydrogen-bonded Turntrans-47.7-49.5-175-168.4171.1-166.600115.5L459 L876 V883L459-E880 HydrophobicContact CD2-CB 4.08Å; L459-E880 HydrophobicContact CD2-CG 4.45Å; L876-E880 PolarHBondContact O-N 2.72Å; L876-E880 VanDerWaalsContact O-N 3.11Å; E880-V883 WeakPolarHBondContact O-CG1 3.49Å
881P83.1Confident77.7Confident96 Ų9671 Ų7162%0.62338%0.382SS*.THydrogen-bonded Turntrans-75.7-25.6-177.427.2-35.4000115.4A877 K878A877-P881 VanDerWaalsContact O-CD 3.29Å; A877-P881 WeakPolarHBondContact O-CD 3.41Å; K878-P881 WeakPolarHBondContact O-CD 2.9Å
882I81.9Confident76.5Confident45 Ų4573.1 Ų73.123%0.23139%0.392CS..THydrogen-bonded Turntrans-105.6-2.5-173.463.3173000113.1Q434 A435 L438 L879 S884 V885Q434-I882 HydrophobicContact CG-CD1 4.35Å; A435-I882 HydrophobicContact CB-CD1 3.85Å; A435-I882 HydrophobicContact CB-CG1 3.98Å; L438-I882 HydrophobicContact CD1-CD1 3.78Å; L879-I882 PolarHBondContact O-N 3.39Å; I882-S884 PolarHBondContact O-N 3.47Å; I882-S884 VanDerWaalsContact O-N 3.07Å; I882-V885 WeakPolarHBondContact O-CB 3.48Å; I882-V885 WeakPolarHBondContact O-CG2 3.44Å; I882-V885 PolarHBondContact O-N 2.93Å
883V82.8Confident75.5Confident17 Ų1774 Ų7410%0.10340%0.396CS..G310 helixtrans-54.7-35.5-17374.50000111.8W452 A455 L879 E880 V885 L886W452-V883 HydrophobicContact CE3-CG2 3.91Å; W452-V883 HydrophobicContact CH2-CG1 4.21Å; W452-V883 HydrophobicContact CZ3-CB 3.98Å; W452-V883 HydrophobicContact CZ3-CG1 3.67Å; W452-V883 HydrophobicContact CZ3-CG2 3.69Å; W452-V883 WeakPolarHBondContact CZ3-O 3.42Å; A455-V883 HydrophobicContact CB-CG2 3.49Å; A455-V883 VanDerWaalsContact CB-CG2 3.49Å; L879-V883 HydrophobicContact CD1-CG2 4.27Å; L879-V883 HydrophobicContact CG-CG2 4.38Å; L879-V883 WeakPolarHBondContact O-CB 3.38Å; L879-V883 PolarHBondContact O-N 2.83Å; E880-V883 WeakPolarHBondContact O-CG1 3.49Å; V883-V885 PolarHBondContact O-N 2.92Å; V883-L886 WeakPolarHBondContact O-CB 3.45Å; V883-L886 PolarHBondContact O-N 3.14Å
884S81.5Confident74.7Confident66 Ų6679.6 Ų79.646%0.46242%0.419SS..G310 helixtrans-63.6-22.1-177.758.90000114.4I882 L886 Q887I882-S884 PolarHBondContact O-N 3.47Å; I882-S884 VanDerWaalsContact O-N 3.07Å; S884-L886 PolarHBondContact O-N 2.79Å; S884-Q887 WeakPolarHBondContact O-CB 3.5Å; S884-Q887 WeakPolarHBondContact O-CG 3.47Å; S884-Q887 PolarHBondContact O-N 3.41Å
885V79.3Confident73.8Confident36 Ų3680.5 Ų80.522%0.21842%0.419CS..G310 helixtrans-65.9-24.6-179.7-1770000111.3Q431 F432 I882 V883 Q887Q431-V885 HydrophobicContact CB-CG1 3.92Å; Q431-V885 HydrophobicContact CB-CG2 4.49Å; F432-V885 HydrophobicContact CB-CG1 4.15Å; F432-V885 WeakPolarHBondContact CD2-O 3.32Å; I882-V885 WeakPolarHBondContact O-CB 3.48Å; I882-V885 WeakPolarHBondContact O-CG2 3.44Å; I882-V885 PolarHBondContact O-N 2.93Å; V883-V885 PolarHBondContact O-N 2.92Å; V885-Q887 PolarHBondContact O-N 3.46Å
886L79.1Confident73.1Confident13 Ų1379.8 Ų79.87%0.06842%0.417CS..G310 helixtrans-66.40.5177.5-66.2170.5000114.4F432 A435 V439 A451 W452 V883 S884F432-L886 HydrophobicContact CD2-CD2 4.26Å; F432-L886 HydrophobicContact CE2-CD2 4.06Å; F432-L886 HydrophobicContact CZ-CD2 4.19Å; A435-L886 HydrophobicContact CB-CD1 4.04Å; A435-L886 HydrophobicContact CB-CD2 3.94Å; A435-L886 HydrophobicContact CB-CG 3.74Å; V439-L886 HydrophobicContact CG2-CD1 4.1Å; A451-L886 HydrophobicContact CB-CD1 4.08Å; A451-L886 HydrophobicContact CB-CD2 4.31Å; W452-L886 HydrophobicContact CB-CB 4.28Å; W452-L886 HydrophobicContact CE3-CB 4.43Å; V883-L886 WeakPolarHBondContact O-CB 3.45Å; V883-L886 PolarHBondContact O-N 3.14Å; S884-L886 PolarHBondContact O-N 2.79Å
887Q76.5Confident72.3Confident128 Ų12884 Ų8460%0.59844%0.435SS*.G310 helixtrans-82.8-22.5-177.4-70.2-178.2-0.800115.5W452 S884 V885W452-Q887 HydrophobicContact CD2-CG 4.29Å; W452-Q887 HydrophobicContact CE3-CG 4.46Å; W452-Q887 VanDerWaalsContact CZ2-NE2 3.27Å; S884-Q887 WeakPolarHBondContact O-CB 3.5Å; S884-Q887 WeakPolarHBondContact O-CG 3.47Å; S884-Q887 PolarHBondContact O-N 3.41Å; V885-Q887 PolarHBondContact O-N 3.46Å
888S62.8Low71.9Confident93 Ų9388.9 Ų88.965%0.6545%0.45SS*.  trans-153.2124.4-17354.70000114.3
889D64.5Low71.6Confident88 Ų8887.1 Ų87.147%0.47145%0.447SS..  trans-99.2125.6-172.5-161.5-7.3000112.9
890P60.5Low71.3Confident49 Ų4990.1 Ų90.132%0.31846%0.459SS..  trans-90.8107.2-175.731.2-32000115.6A428 H429A428-P890 HydrophobicContact CB-CG 4.3Å; H429-P890 HydrophobicContact CB-CG 4.2Å
891E57.7Low70.9Confident177 Ų17787 Ų8783%0.82745%0.454SS*.  trans-102.6-12.2-178.3-72-173.4153.200117.7F893E891-F893 PolarHBondContact O-N 3.43Å
892Q54.9Low70.5Confident171 Ų17190.5 Ų90.580%0.79946%0.456SS*.  trans-86.723.3-167.3-68.2-173-8.800117.7E894Q892-E894 PolarHBondContact O-N 2.96Å
893F61.1Low70.4Confident66 Ų6689 Ų8929%0.28945%0.449SS..THydrogen-bonded Turntrans-69.6-25.8-170.6-174.6-109.9000115.8M422 A425 Q426 E891M422-F893 HydrophobicContact CG-CE2 3.74Å; M422-F893 HydrophobicContact CG-CZ 4.06Å; A425-F893 HydrophobicContact CB-CD2 3.98Å; Q426-F893 HydrophobicContact CB-CE2 4.37Å; E891-F893 PolarHBondContact O-N 3.43Å
894E63.5Low70.1Confident125 Ų12591.7 Ų91.758%0.58446%0.461SS*.THydrogen-bonded Turntrans-79.1-32.8-170-77-70.1133.100115.4Q892 L896 K897Q892-E894 PolarHBondContact O-N 2.96Å; E894-L896 VanDerWaalsContact C-N 3.28Å; E894-L896 PolarHBondContact O-N 3.07Å; E894-K897 PolarHBondContact O-N 3.18Å; E894-K897 IonicContact OE1-NZ 3.86Å; E894-K897 PolarHBondContact OE1-NZ 3.33Å; E894-K897 IonicContact OE2-NZ 2.75Å
895Q63.6Low69.8Low148 Ų14894.5 Ų94.569%0.69247%0.467SS*.Hα-helixtrans-65-30.5179.4-78.8178.8-14.100113.1K897 E898Q895-K897 PolarHBondContact O-N 3.36Å; Q895-E898 PolarHBondContact O-N 2.98Å
896L67.5Low69.7Low44 Ų4498 Ų9823%0.2348%0.482CS..Hα-helixtrans-64.7-22178.4-100.8148.1000113.6K421 E894K421-L896 HydrophobicContact CB-CD2 3.52Å; K421-L896 HydrophobicContact CD-CD2 4.41Å; E894-L896 VanDerWaalsContact C-N 3.28Å; E894-L896 PolarHBondContact O-N 3.07Å
897K68.6Low69.8Low95 Ų9598.8 Ų98.841%0.41349%0.485SS..Hα-helixtrans-74.4-35.3177.2-85.4174.5179.7161.80113.6M422 E894 Q895M422-K897 HydrophobicContact SD-CG 4.28Å; E894-K897 PolarHBondContact O-N 3.18Å; E894-K897 IonicContact OE1-NZ 3.86Å; E894-K897 PolarHBondContact OE1-NZ 3.33Å; E894-K897 IonicContact OE2-NZ 2.75Å; Q895-K897 PolarHBondContact O-N 3.36Å
898E71.2Confident69.8Low152 Ų152100.1 Ų100.171%0.7149%0.485SS*.Hα-helixtrans-72.9-42.1-173.3-69.3-172.1158.800112.3Q895 Y900 A901Q895-E898 PolarHBondContact O-N 2.98Å; E898-Y900 VanDerWaalsContact C-N 3.26Å; E898-Y900 PolarHBondContact O-N 2.9Å; E898-A901 PolarHBondContact O-N 3.01Å; E898-A901 VanDerWaalsContact O-N 3.14Å
899D76.8Confident70.6Confident102 Ų102100 Ų10055%0.54548%0.477SS..Hα-helixtrans-61.3-35178.7-75.6-21.4000112.4L418 A901 Y902 S903L418-D899 HydrophobicContact CD1-CB 4.1Å; L418-D899 HydrophobicContact CD2-CB 4.09Å; D899-A901 VanDerWaalsContact C-N 3.33Å; D899-A901 PolarHBondContact O-N 2.99Å; D899-Y902 PolarHBondContact O-N 3.1Å; D899-S903 PolarHBondContact O-N 3.25Å
900Y77.7Confident71.4Confident62 Ų6296.3 Ų96.324%0.24346%0.458CS..Hα-helixtrans-62.1-39176.8178.3-100.4000112M415 L418 E419 E898 Q904M415-Y900 HydrophobicContact CG-CD2 4.06Å; M415-Y900 HydrophobicContact CG-CE2 3.59Å; M415-Y900 HydrophobicContact SD-CE2 4.34Å; L418-Y900 HydrophobicContact CB-CD2 4.37Å; E419-Y900 HydrophobicContact CB-CE2 4.22Å; E898-Y900 VanDerWaalsContact C-N 3.26Å; E898-Y900 PolarHBondContact O-N 2.9Å; Y900-Q904 PolarHBondContact O-N 3.4Å
901A75Confident72.1Confident55 Ų55100.9 Ų100.946%0.45547%0.469SS..Hα-helixtrans-68.2-37.5-178.900000113.2E898 D899 Q904E898-A901 PolarHBondContact O-N 3.01Å; E898-A901 VanDerWaalsContact O-N 3.14Å; D899-A901 VanDerWaalsContact C-N 3.33Å; D899-A901 PolarHBondContact O-N 2.99Å; A901-Q904 WeakPolarHBondContact O-CB 3.48Å; A901-Q904 PolarHBondContact O-N 3Å
902Y74.5Confident73.2Confident169 Ų16998.2 Ų98.266%0.66346%0.457SS*.Hα-helixtrans-67.4-43.9178.5-179.5-102.7000112.2D899 Q904 Q905D899-Y902 PolarHBondContact O-N 3.1Å; Y902-Q904 PolarHBondContact O-N 3.49Å; Y902-Q905 PolarHBondContact O-N 2.95Å; Y902-Q905 VanDerWaalsContact O-N 3.11Å
903S80Confident74.5Confident14 Ų1492.9 Ų92.910%0.09843%0.432CS..Hα-helixtrans-61.9-29.5178.6-160.40000112.3M415 D899 Q905M415-S903 PolarHBondContact N-OG 3.28Å; D899-S903 PolarHBondContact O-N 3.25Å; S903-Q905 VanDerWaalsContact C-N 3.31Å; S903-Q905 PolarHBondContact O-N 3.42Å
904Q75.9Confident75.5Confident73 Ų7389.9 Ų89.934%0.34142%0.419SS..Hα-helixtrans-65.3-30.8177-16218033.700113.1Y900 A901 Y902Y900-Q904 PolarHBondContact O-N 3.4Å; A901-Q904 WeakPolarHBondContact O-CB 3.48Å; A901-Q904 PolarHBondContact O-N 3Å; Y902-Q904 PolarHBondContact O-N 3.49Å
905Q75.8Confident76.2Confident125 Ų12590 Ų9058%0.58442%0.418SS*.Hα-helixtrans-78.1-41.1-175.3-155.9160.65.500112.2Y902 S903 Q907 R908 D909Y902-Q905 PolarHBondContact O-N 2.95Å; Y902-Q905 VanDerWaalsContact O-N 3.11Å; S903-Q905 VanDerWaalsContact C-N 3.31Å; S903-Q905 PolarHBondContact O-N 3.42Å; Q905-Q907 VanDerWaalsContact C-N 3.3Å; Q905-Q907 PolarHBondContact O-N 3.25Å; Q905-R908 WeakPolarHBondContact O-CB 3.23Å; Q905-R908 PolarHBondContact O-N 3.03Å; Q905-R908 VanDerWaalsContact O-N 3.13Å; Q905-D909 PolarHBondContact O-N 3.01Å
906M77.6Confident77Confident110 Ų11083.1 Ų83.154%0.54239%0.386SS..Hα-helixtrans-60.7-37.1174.4-81.1-70.3-68.400113R908 D909 A910M906-R908 VanDerWaalsContact C-N 3.3Å; M906-R908 PolarHBondContact O-N 2.7Å; M906-D909 PolarHBondContact O-N 3.2Å; M906-A910 PolarHBondContact O-N 2.99Å
907Q80.7Confident77.8Confident28 Ų2881 Ų8113%0.13138%0.375CS..Hα-helixtrans-61.8-38.7175.5-170.6-140.2-2.100111.8A411 T412 Q905 D909 R911A411-Q907 HydrophobicContact CB-CB 4Å; A411-Q907 HydrophobicContact CB-CG 4.37Å; T412-Q907 HydrophobicContact CG2-CG 3.8Å; Q905-Q907 VanDerWaalsContact C-N 3.3Å; Q905-Q907 PolarHBondContact O-N 3.25Å; Q907-D909 PolarHBondContact O-N 3Å; Q907-R911 VanDerWaalsContact O-CB 3.24Å; Q907-R911 WeakPolarHBondContact O-CB 3.26Å; Q907-R911 PolarHBondContact O-N 2.76Å
908R76.5Confident78.3Confident157 Ų15777.9 Ų77.959%0.59237%0.365SS*.Hα-helixtrans-64-41.1-179.1-73.7178.5173.2177.20.2112.5Q905 M906 R911 Q912Q905-R908 WeakPolarHBondContact O-CB 3.23Å; Q905-R908 PolarHBondContact O-N 3.03Å; Q905-R908 VanDerWaalsContact O-N 3.13Å; M906-R908 VanDerWaalsContact C-N 3.3Å; M906-R908 PolarHBondContact O-N 2.7Å; R908-R911 PolarHBondContact O-N 2.88Å; R908-Q912 PolarHBondContact O-N 3.39Å
909D79.1Confident78.7Confident91 Ų9171.8 Ų71.849%0.48734%0.336SS..Hα-helixtrans-67.5-46.1-178.8-68.9-12.5000111.7Q905 M906 Q907 R911 Q912 Q913Q905-D909 PolarHBondContact O-N 3.01Å; M906-D909 PolarHBondContact O-N 3.2Å; Q907-D909 PolarHBondContact O-N 3Å; D909-R911 VanDerWaalsContact C-N 3.29Å; D909-R911 PolarHBondContact O-N 3.39Å; D909-Q912 PolarHBondContact O-N 3.45Å; D909-Q913 PolarHBondContact O-N 3.24Å
910A80.6Confident78.8Confident10 Ų1067 Ų678%0.08331%0.31CS..Hα-helixtrans-59.9-41.5175.600000111.4K407 E408 M906 Q912 Q913 A914K407-A910 HydrophobicContact CB-CB 4.28Å; E408-A910 HydrophobicContact CB-CB 4.24Å; M906-A910 PolarHBondContact O-N 2.99Å; A910-Q912 VanDerWaalsContact C-N 3.35Å; A910-Q912 PolarHBondContact O-N 2.68Å; A910-Q913 PolarHBondContact O-N 3.3Å; A910-A914 WeakPolarHBondContact O-CB 3.2Å; A910-A914 PolarHBondContact O-N 3.45Å
911R77.1Confident78.8Confident145 Ų14566.1 Ų66.155%0.54731%0.311SS..Hα-helixtrans-62.9-37.7176.1-172.2172.6-176.7176.13.3112.6E408 Q907 R908 D909 F915E408-R911 HydrophobicContact CG-CB 4.34Å; E408-R911 WeakPolarHBondContact OE1-CD 3.2Å; E408-R911 WeakPolarHBondContact OE1-CG 3.36Å; E408-R911 IonicContact OE1-NE 2.67Å; Q907-R911 VanDerWaalsContact O-CB 3.24Å; Q907-R911 WeakPolarHBondContact O-CB 3.26Å; Q907-R911 PolarHBondContact O-N 2.76Å; R908-R911 PolarHBondContact O-N 2.88Å; D909-R911 VanDerWaalsContact C-N 3.29Å; D909-R911 PolarHBondContact O-N 3.39Å; R911-F915 WeakPolarHBondContact O-CB 3.21Å; R911-F915 PolarHBondContact O-N 3.18Å
912Q80.2Confident78.9Confident121 Ų12170 Ų7057%0.56532%0.32SS*.Hα-helixtrans-67.6-37.6179.2-162.1176.818.200112.2R908 D909 A910 F915 A916R908-Q912 PolarHBondContact O-N 3.39Å; D909-Q912 PolarHBondContact O-N 3.45Å; A910-Q912 VanDerWaalsContact C-N 3.35Å; A910-Q912 PolarHBondContact O-N 2.68Å; Q912-F915 PolarHBondContact O-N 3.06Å; Q912-A916 PolarHBondContact O-N 3.34Å; Q912-A916 VanDerWaalsContact O-N 3.12Å
913Q82.7Confident79Confident58 Ų5864.5 Ų64.527%0.27130%0.298SS..Hα-helixtrans-69.3-46.3175.7-66.3168.8-21.700111.5F404 D909 A910 F915 A916 L917F404-Q913 HydrophobicContact CD1-CB 3.41Å; F404-Q913 VanDerWaalsContact CD1-CB 3.41Å; F404-Q913 HydrophobicContact CD1-CG 4.22Å; F404-Q913 VanDerWaalsContact CD1-OE1 3.26Å; F404-Q913 HydrophobicContact CE1-CB 3.7Å; F404-Q913 HydrophobicContact CE1-CG 4.07Å; F404-Q913 HydrophobicContact CG-CB 4.1Å; D909-Q913 PolarHBondContact O-N 3.24Å; A910-Q913 PolarHBondContact O-N 3.3Å; Q913-F915 VanDerWaalsContact C-N 3.27Å; Q913-F915 PolarHBondContact O-N 2.9Å; Q913-A916 PolarHBondContact O-N 3.35Å; Q913-L917 PolarHBondContact O-N 3.24Å
914A82.1Confident78.6Confident3 Ų369.3 Ų69.33%0.02531%0.314CS..Hα-helixtrans-59.5-39.8173.600000111.4L401 F404 Q405 A910 L917 T918L401-A914 HydrophobicContact CD1-CB 4.31Å; L401-A914 WeakPolarHBondContact CD1-O 3.38Å; F404-A914 HydrophobicContact CB-CB 4.06Å; Q405-A914 HydrophobicContact CG-CB 4.33Å; A910-A914 WeakPolarHBondContact O-CB 3.2Å; A910-A914 PolarHBondContact O-N 3.45Å; A914-L917 PolarHBondContact O-N 3.05Å; A914-T918 WeakPolarHBondContact O-CB 3.22Å; A914-T918 PolarHBondContact O-N 3.41Å; A914-T918 PolarHBondContact O-OG1 2.93Å
915F77.6Confident78.2Confident127 Ų12768.6 Ų68.656%0.55732%0.321SS*.Hα-helixtrans-62.8-44.7177.7-177.1-97.1000112.7R911 Q912 Q913 L917 T918 E919R911-F915 WeakPolarHBondContact O-CB 3.21Å; R911-F915 PolarHBondContact O-N 3.18Å; Q912-F915 PolarHBondContact O-N 3.06Å; Q913-F915 VanDerWaalsContact C-N 3.27Å; Q913-F915 PolarHBondContact O-N 2.9Å; F915-L917 VanDerWaalsContact C-N 3.28Å; F915-L917 PolarHBondContact O-N 2.92Å; F915-T918 WeakPolarHBondContact O-CB 3.38Å; F915-T918 PolarHBondContact O-N 3.45Å; F915-T918 VanDerWaalsContact O-N 3.11Å; F915-E919 PolarHBondContact O-N 3.49Å
916A79.6Confident78.3Confident4 Ų464.7 Ų64.73%0.03330%0.302CS..Hα-helixtrans-59.2-39.8178.300000112.1A383 L386 Q912 Q913 E919A383-A916 HydrophobicContact CB-CB 4.46Å; L386-A916 HydrophobicContact CB-CB 4.17Å; L386-A916 HydrophobicContact CD1-CB 3.62Å; Q912-A916 PolarHBondContact O-N 3.34Å; Q912-A916 VanDerWaalsContact O-N 3.12Å; Q913-A916 PolarHBondContact O-N 3.35Å; A916-E919 WeakPolarHBondContact O-CB 3.42Å; A916-E919 PolarHBondContact O-N 2.89Å
917L84.8Confident77.8Confident0 Ų061.6 Ų61.60%029%0.286CS..Hα-helixtrans-71.1-38.6174.2-72.2162.3000112.2A383 C387 L392 W400 L401 F404 Q913 A914 F915 E919 V920 V921A383-L917 HydrophobicContact CB-CD2 4.23Å; C387-L917 HydrophobicContact CB-CD1 4.5Å; C387-L917 VanDerWaalsContact SG-CD1 3.58Å; C387-L917 VanDerWaalsContact SG-CG 3.57Å; L392-L917 HydrophobicContact CD1-CD2 3.88Å; L392-L917 HydrophobicContact CD2-CD2 4.06Å; W400-L917 HydrophobicContact CB-CD1 4.02Å; W400-L917 HydrophobicContact CB-CD2 3.93Å; L401-L917 HydrophobicContact CB-CB 4.05Å; L401-L917 HydrophobicContact CD1-CB 3.94Å; F404-L917 HydrophobicContact CB-CD1 4.31Å; F404-L917 HydrophobicContact CD2-CD1 3.34Å; F404-L917 HydrophobicContact CE2-CD1 3.9Å; F404-L917 HydrophobicContact CG-CD1 4.07Å; Q913-L917 PolarHBondContact O-N 3.24Å; A914-L917 PolarHBondContact O-N 3.05Å; F915-L917 VanDerWaalsContact C-N 3.28Å; F915-L917 PolarHBondContact O-N 2.92Å; L917-E919 VanDerWaalsContact C-N 3.25Å; L917-E919 PolarHBondContact O-N 2.96Å; L917-V920 WeakPolarHBondContact O-CB 2.85Å; L917-V920 PolarHBondContact O-N 2.99Å; L917-V920 VanDerWaalsContact O-N 3.15Å; L917-V921 WeakPolarHBondContact O-CG2 3.34Å; L917-V921 PolarHBondContact O-N 3.07Å
918T79.2Confident77Confident30 Ų3064 Ų6418%0.18431%0.306CS..Hα-helixtrans-58.6-40.5174.1-54.30000110.6L401 A914 F915 V920 V921 Q922L401-T918 WeakPolarHBondContact CD1-OG1 3.49Å; A914-T918 WeakPolarHBondContact O-CB 3.22Å; A914-T918 PolarHBondContact O-N 3.41Å; A914-T918 PolarHBondContact O-OG1 2.93Å; F915-T918 WeakPolarHBondContact O-CB 3.38Å; F915-T918 PolarHBondContact O-N 3.45Å; F915-T918 VanDerWaalsContact O-N 3.11Å; T918-V920 VanDerWaalsContact C-N 3.27Å; T918-V920 PolarHBondContact O-N 3.21Å; T918-V921 PolarHBondContact O-N 2.89Å; T918-Q922 HydrophobicContact CG2-CG 4.07Å; T918-Q922 WeakPolarHBondContact O-CB 3.39Å; T918-Q922 WeakPolarHBondContact O-CG 3.25Å; T918-Q922 PolarHBondContact O-N 2.98Å
919E79.7Confident76.5Confident23 Ų2359.5 Ų59.511%0.10729%0.289CS..Hα-helixtrans-61-36178.9-148.6-171.3169.300111.8R382 F915 A916 L917 R923R382-E919 IonicContact CZ-OE1 3.91Å; R382-E919 IonicContact CZ-OE2 2.95Å; R382-E919 VanDerWaalsContact NH1-CD 3.29Å; R382-E919 IonicContact NH1-OE1 3.28Å; R382-E919 PolarHBondContact NH1-OE1 3.23Å; R382-E919 IonicContact NH1-OE2 2.84Å; R382-E919 PolarHBondContact NH1-OE2 3.34Å; F915-E919 PolarHBondContact O-N 3.49Å; A916-E919 WeakPolarHBondContact O-CB 3.42Å; A916-E919 PolarHBondContact O-N 2.89Å; L917-E919 VanDerWaalsContact C-N 3.25Å; L917-E919 PolarHBondContact O-N 2.96Å; E919-R923 VanDerWaalsContact CG-NH1 3.32Å; E919-R923 WeakPolarHBondContact O-CB 3.49Å; E919-R923 VanDerWaalsContact O-CG 3.28Å; E919-R923 WeakPolarHBondContact O-CG 3.39Å; E919-R923 PolarHBondContact O-N 3.23Å; E919-R923 IonicContact OE1-CZ 3.88Å; E919-R923 IonicContact OE1-NH1 3.98Å; E919-R923 PolarHBondContact OE1-NH1 2.87Å; E919-R923 IonicContact OE1-NH2 3.13Å; E919-R923 PolarHBondContact OE1-NH2 3.41Å
920V78.9Confident75.5Confident1 Ų158 Ų581%0.00629%0.286CS..Hα-helixtrans-72-45174.7-178.90000111.3A379 L380 A383 A397 L917 T918 R923 R924A379-V920 HydrophobicContact CB-CG2 4.3Å; A379-V920 WeakPolarHBondContact O-CG2 3.32Å; L380-V920 HydrophobicContact CB-CG1 4.45Å; L380-V920 HydrophobicContact CD1-CG1 3.56Å; A383-V920 HydrophobicContact CB-CG2 3.52Å; A397-V920 HydrophobicContact CB-CB 4.21Å; A397-V920 HydrophobicContact CB-CG1 3.67Å; L917-V920 WeakPolarHBondContact O-CB 2.85Å; L917-V920 PolarHBondContact O-N 2.99Å; L917-V920 VanDerWaalsContact O-N 3.15Å; T918-V920 VanDerWaalsContact C-N 3.27Å; T918-V920 PolarHBondContact O-N 3.21Å; V920-R923 CarbonylContact O-C 3.55Å; V920-R923 PolarHBondContact O-N 3.07Å; V920-R924 PolarHBondContact O-N 3.21Å; V920-R924 VanDerWaalsContact O-N 3.14Å
921V78Confident74.1Confident44 Ų4462.5 Ų62.527%0.26731%0.309SS..Hα-helixtrans-66.4-38.7-179.4174.40000111.6A397 A398 L401 L917 T918 R924A397-V921 HydrophobicContact CB-CG2 4.09Å; A398-V921 HydrophobicContact CB-CG2 4.35Å; L401-V921 HydrophobicContact CD2-CB 4.36Å; L401-V921 HydrophobicContact CD2-CG2 4.09Å; L917-V921 WeakPolarHBondContact O-CG2 3.34Å; L917-V921 PolarHBondContact O-N 3.07Å; T918-V921 PolarHBondContact O-N 2.89Å; V921-R924 WeakPolarHBondContact O-CB 3.41Å; V921-R924 PolarHBondContact O-N 2.95Å
922Q76.6Confident73.1Confident138 Ų13856.4 Ų56.465%0.64529%0.288SS*.Hα-helixtrans-67.5-39.5175.9-75-179-6.500111.8T918 R924T918-Q922 HydrophobicContact CG2-CG 4.07Å; T918-Q922 WeakPolarHBondContact O-CB 3.39Å; T918-Q922 WeakPolarHBondContact O-CG 3.25Å; T918-Q922 PolarHBondContact O-N 2.98Å; Q922-R924 PolarHBondContact O-N 3.46Å
923R77.5Confident71.6Confident53 Ų5354.1 Ų54.120%0.229%0.29CS..G310 helixtrans-78.76.3175.7-64.1-172.1-176.4124.610113A376 E919 V920 A925 H926 F927A376-R923 HydrophobicContact CB-CB 3.94Å; E919-R923 VanDerWaalsContact CG-NH1 3.32Å; E919-R923 WeakPolarHBondContact O-CB 3.49Å; E919-R923 VanDerWaalsContact O-CG 3.28Å; E919-R923 WeakPolarHBondContact O-CG 3.39Å; E919-R923 PolarHBondContact O-N 3.23Å; E919-R923 IonicContact OE1-CZ 3.88Å; E919-R923 IonicContact OE1-NH1 3.98Å; E919-R923 PolarHBondContact OE1-NH1 2.87Å; E919-R923 IonicContact OE1-NH2 3.13Å; E919-R923 PolarHBondContact OE1-NH2 3.41Å; V920-R923 CarbonylContact O-C 3.55Å; V920-R923 PolarHBondContact O-N 3.07Å; R923-A925 PolarHBondContact O-N 3.24Å; R923-H926 WeakPolarHBondContact O-CB 3.35Å; R923-H926 PolarHBondContact O-N 2.85Å; R923-F927 WeakPolarHBondContact O-CD2 3.47Å
924R70.7Confident70Confident115 Ų11558.7 Ų58.743%0.43431%0.311SS..G310 helixtrans-56.3-39.8179.9-165.8175.9-173.9-171.13.5112D395 V920 V921 Q922 H926 F927D395-R924 IonicContact OD1-CZ 3.19Å; D395-R924 IonicContact OD1-NE 3.8Å; D395-R924 IonicContact OD1-NH2 2.93Å; D395-R924 PolarHBondContact OD1-NH2 2.85Å; V920-R924 PolarHBondContact O-N 3.21Å; V920-R924 VanDerWaalsContact O-N 3.14Å; V921-R924 WeakPolarHBondContact O-CB 3.41Å; V921-R924 PolarHBondContact O-N 2.95Å; Q922-R924 PolarHBondContact O-N 3.46Å; R924-H926 VanDerWaalsContact C-N 3.27Å; R924-H926 PolarHBondContact O-N 3.27Å; R924-F927 PolarHBondContact O-N 3.5Å
925A68.3Low68.5Low57 Ų5765.1 Ų65.147%0.47134%0.343SS..G310 helixtrans-63.2-32.5175.600000112.6R923 F927 S928R923-A925 PolarHBondContact O-N 3.24Å; A925-F927 PolarHBondContact O-N 3.35Å; A925-S928 VanDerWaalsContact O-CB 3.31Å; A925-S928 WeakPolarHBondContact O-CB 3.41Å; A925-S928 PolarHBondContact O-N 3.48Å; A925-S928 PolarHBondContact O-OG 3Å
926H77.1Confident67.3Low43 Ų4364.9 Ų64.920%0.19935%0.346CS..G310 helixtrans-70.5-20.1-177.4-53.8-25.1000112.9Q372 Y373 A376 R923 R924 S928 Y929Q372-H926 HydrophobicContact CB-CB 4.4Å; Y373-H926 WeakPolarHBondContact CD2-O 3.34Å; A376-H926 HydrophobicContact CB-CB 4.01Å; R923-H926 WeakPolarHBondContact O-CB 3.35Å; R923-H926 PolarHBondContact O-N 2.85Å; R924-H926 VanDerWaalsContact C-N 3.27Å; R924-H926 PolarHBondContact O-N 3.27Å; H926-S928 PolarHBondContact O-N 3.31Å; H926-Y929 HydrophobicContact CB-CD2 3.98Å; H926-Y929 HydrophobicContact CB-CE2 4.04Å; H926-Y929 AromaticContact CG-CE2 3.91Å; H926-Y929 AromaticContact ND1-CE2 3.26Å; H926-Y929 VanDerWaalsContact ND1-CE2 3.26Å; H926-Y929 WeakPolarHBondContact ND1-CE2 3.38Å; H926-Y929 AromaticContact ND1-CZ 3.8Å; H926-Y929 WeakPolarHBondContact O-CB 3.25Å; H926-Y929 PolarHBondContact O-N 3.42Å
927F65.9Low65.7Low45 Ų4570 Ų7020%0.19738%0.382CS..G310 helixtrans-67.2-19.7170.6-64.2-83.3000112.8A376 I377 L380 A394 R923 R924 A925 Y929A376-F927 HydrophobicContact CB-CD1 4.22Å; A376-F927 HydrophobicContact CB-CD2 4.07Å; A376-F927 HydrophobicContact CB-CE1 3.88Å; A376-F927 HydrophobicContact CB-CE2 3.74Å; A376-F927 HydrophobicContact CB-CG 4.32Å; A376-F927 HydrophobicContact CB-CZ 3.64Å; A376-F927 WeakPolarHBondContact O-CZ 3.28Å; I377-F927 HydrophobicContact CG1-CE1 4.18Å; L380-F927 HydrophobicContact CB-CZ 4.4Å; A394-F927 HydrophobicContact CB-CD2 4.27Å; A394-F927 HydrophobicContact CB-CE2 4.07Å; A394-F927 HydrophobicContact CB-CZ 4.21Å; R923-F927 WeakPolarHBondContact O-CD2 3.47Å; R924-F927 PolarHBondContact O-N 3.5Å; A925-F927 PolarHBondContact O-N 3.35Å; F927-Y929 PolarHBondContact O-N 2.77Å
928S64.2Low63.7Low78 Ų7872.8 Ų72.855%0.54541%0.411SS..G310 helixtrans-75.8-11.4173.874.50000113.7A925 H926 S930A925-S928 VanDerWaalsContact O-CB 3.31Å; A925-S928 WeakPolarHBondContact O-CB 3.41Å; A925-S928 PolarHBondContact O-N 3.48Å; A925-S928 PolarHBondContact O-OG 3Å; H926-S928 PolarHBondContact O-N 3.31Å; S928-S930 PolarHBondContact O-N 3.48Å; S928-S930 VanDerWaalsContact O-N 3.09Å
929Y67.5Low62.2Low63 Ų6376.9 Ų76.925%0.24743%0.432CS..G310 helixtrans-77.114179.6-60.4-22.8000113.5R369 Q372 H926 F927 D931 S932R369-Y929 HydrophobicContact CB-CD2 4.09Å; R369-Y929 HydrophobicContact CB-CE2 4.48Å; R369-Y929 HydrophobicContact CB-CG 4.36Å; R369-Y929 HydrophobicContact CG-CD2 4.38Å; R369-Y929 HydrophobicContact CG-CE2 4.3Å; Q372-Y929 HydrophobicContact CB-CD2 4.33Å; Q372-Y929 HydrophobicContact CB-CE2 4.4Å; H926-Y929 HydrophobicContact CB-CD2 3.98Å; H926-Y929 HydrophobicContact CB-CE2 4.04Å; H926-Y929 AromaticContact CG-CE2 3.91Å; H926-Y929 AromaticContact ND1-CE2 3.26Å; H926-Y929 VanDerWaalsContact ND1-CE2 3.26Å; H926-Y929 WeakPolarHBondContact ND1-CE2 3.38Å; H926-Y929 AromaticContact ND1-CZ 3.8Å; H926-Y929 WeakPolarHBondContact O-CB 3.25Å; H926-Y929 PolarHBondContact O-N 3.42Å; F927-Y929 PolarHBondContact O-N 2.77Å; Y929-D931 PolarHBondContact O-N 2.93Å; Y929-S932 WeakPolarHBondContact CA-OG 3.46Å; Y929-S932 VanDerWaalsContact CB-OG 3.3Å; Y929-S932 WeakPolarHBondContact CB-OG 3.44Å; Y929-S932 WeakPolarHBondContact O-CB 3.48Å; Y929-S932 PolarHBondContact O-N 2.94Å; Y929-S932 VanDerWaalsContact O-N 3.09Å; Y929-S932 PolarHBondContact O-OG 3.45Å
930S57.2Low61Low61 Ų6180.9 Ų80.943%0.42746%0.463SS..G310 helixtrans-49.9-39.7173.355.50000111.7S928S928-S930 PolarHBondContact O-N 3.48Å; S928-S930 VanDerWaalsContact O-N 3.09Å
931D51.4Low59.8Low104 Ų10487.2 Ų87.256%0.55650%0.496SS*.G310 helixtrans-83.2-15-172.8-58.50.2000112.5Y929 A933 E934 M935Y929-D931 PolarHBondContact O-N 2.93Å; D931-A933 PolarHBondContact O-N 3.47Å; D931-A933 VanDerWaalsContact O-N 3.13Å; D931-E934 PolarHBondContact O-N 3.24Å; D931-M935 PolarHBondContact O-N 3.14Å
932S55.5Low59.1Low17 Ų1787.9 Ų87.912%0.11950%0.498CS..G310 helixtrans-62.9-19.2174.2-27.80000111.7Y929Y929-S932 WeakPolarHBondContact CA-OG 3.46Å; Y929-S932 VanDerWaalsContact CB-OG 3.3Å; Y929-S932 WeakPolarHBondContact CB-OG 3.44Å; Y929-S932 WeakPolarHBondContact O-CB 3.48Å; Y929-S932 PolarHBondContact O-N 2.94Å; Y929-S932 VanDerWaalsContact O-N 3.09Å; Y929-S932 PolarHBondContact O-OG 3.45Å
933A49.8Very low58.7Low73 Ų7384.9 Ų84.960%0.60349%0.486SS*.G310 helixtrans-72.8-25.117000000113.2D931D931-A933 PolarHBondContact O-N 3.47Å; D931-A933 VanDerWaalsContact O-N 3.13Å
934E48.8Very low58.3Low153 Ų15390.1 Ų90.172%0.71551%0.513SS*.THydrogen-bonded Turntrans-92.2-28.7-179.8-71.2-168.7159.400113.5D931 L936 S937D931-E934 PolarHBondContact O-N 3.24Å; E934-L936 PolarHBondContact O-N 3.21Å; E934-S937 PolarHBondContact O-OG 3.48Å
935M49.8Very low58.1Low138 Ų13892.2 Ų92.268%0.6853%0.526SS*.G310 helixtrans-68.81.2-178.8-77.1-87.6-104.100115.1D931 S937D931-M935 PolarHBondContact O-N 3.14Å; M935-S937 PolarHBondContact O-N 3.1Å; M935-S937 VanDerWaalsContact O-N 3.08Å
936L52.3Low58.2Low122 Ų12290.5 Ų90.564%0.63951%0.508SS*.G310 helixtrans-65.9-0.1171.6-98.2143.9000114.4L363 E934L363-L936 HydrophobicContact CD2-CD2 4.35Å; E934-L936 PolarHBondContact O-N 3.21Å
937S47Very low58.2Low111 Ų11196.8 Ų96.878%0.77653%0.53SS*.G310 helixtrans-117.7-2.8-172.265.10000117.9E934 M935E934-S937 PolarHBondContact O-OG 3.48Å; M935-S937 PolarHBondContact O-N 3.1Å; M935-S937 VanDerWaalsContact O-N 3.08Å
938G41.5Very low58.7Low60 Ų60101.3 Ų101.362%0.61955%0.552SS**  trans-135.1115.9179.900000114.1
939N49Very low59.3Low115 Ų115105.6 Ų105.662%0.61556%0.556SS**  trans-111.418.9-151.2-100.6-18.8000118.9Y359Y359-N939 PolarHBondContact OH-O 2.93Å; Y359-N939 PolarHBondContact OH-OD1 3.4Å
940S53.3Low60Low108 Ų108104 Ų10476%0.75555%0.552SS**SBendtrans-116.8-11-173.6590000119.8
941D54.4Low61.1Low134 Ų134108.1 Ų108.172%0.71756%0.564SS**SBendtrans-95-3.8-171.6-783.8000116.3
942L62.7Low62.5Low57 Ų57109.9 Ų109.930%0.29857%0.569SS.*Hα-helixtrans-75.2-33.6-167.2-165.170.4000114.8Y359 A362Y359-L942 HydrophobicContact CE2-CD2 4.14Å; A362-L942 HydrophobicContact CB-CD2 3.56Å
943N69Low63.7Low75 Ų75109.3 Ų109.340%0.40157%0.565SS.*Hα-helixtrans-77.1-27.5-169.3-77.5-29.5000114.6
944E68.3Low65.4Low164 Ų164108.9 Ų108.977%0.76655%0.551SS**Hα-helixtrans-69.3-43.1-178.9-80.5-169154.100111.9L946 R947E944-L946 VanDerWaalsContact C-N 3.28Å; E944-L946 PolarHBondContact O-N 3.46Å; E944-R947 PolarHBondContact O-N 3.28Å
945K67.5Low67.1Low159 Ų159103.6 Ų103.669%0.69153%0.533SS*.Hα-helixtrans-65.3-28.1-177.1-72.8178.8178171.20114
946L71Confident68.6Low21 Ų21102.4 Ų102.411%0.1153%0.526CS..Hα-helixtrans-74.3-28.3178.5-70.8170.7000112.4Q355 L356 E944 L950Q355-L946 HydrophobicContact CB-CD1 4.2Å; Q355-L946 HydrophobicContact CB-CD2 4.29Å; Q355-L946 VanDerWaalsContact OE1-CD2 3.29Å; L356-L946 HydrophobicContact CD1-CB 4.14Å; L356-L946 HydrophobicContact CD2-CB 3.94Å; L356-L946 HydrophobicContact CG-CB 3.74Å; E944-L946 VanDerWaalsContact C-N 3.28Å; E944-L946 PolarHBondContact O-N 3.46Å; L946-L950 PolarHBondContact O-N 3.46Å
947R76.6Confident70.2Confident174 Ų17499.1 Ų99.166%0.65751%0.505SS*.Hα-helixtrans-71.3-41.9-179.6-70.3-176.3177178-1.4112.9L356 E944 R949 L950 E951L356-R947 HydrophobicContact CD1-CG 4.03Å; L356-R947 HydrophobicContact CD2-CG 3.66Å; E944-R947 PolarHBondContact O-N 3.28Å; R947-R949 VanDerWaalsContact C-N 3.31Å; R947-R949 PolarHBondContact O-N 2.74Å; R947-L950 PolarHBondContact O-N 2.78Å; R947-E951 PolarHBondContact O-N 3.07Å
948E76.5Confident72.1Confident140 Ų14097.2 Ų97.265%0.65449%0.489SS*.Hα-helixtrans-62.4-38.1179.8-74.1-175157.100112.6
949R75.7Confident74.2Confident169 Ų169102.7 Ų102.764%0.63849%0.491SS*.Hα-helixtrans-68.4-38.2178.3-80.1-174.5175.9176.9-3.4112.9L352 R947 E951 Q952 A953L352-R949 HydrophobicContact CD1-CB 4.11Å; L352-R949 HydrophobicContact CD2-CB 3.95Å; R947-R949 VanDerWaalsContact C-N 3.31Å; R947-R949 PolarHBondContact O-N 2.74Å; R949-E951 VanDerWaalsContact C-N 3.3Å; R949-E951 PolarHBondContact O-N 3.31Å; R949-Q952 PolarHBondContact O-N 2.95Å; R949-A953 PolarHBondContact O-N 2.84Å
950L82.2Confident76Confident28 Ų2898 Ų9815%0.14747%0.468CS..Hα-helixtrans-62.1-40-179.3179.465000111.9V349 L352 K353 L356 L946 R947 Q952 A953 E954V349-L950 HydrophobicContact CG1-CD1 4.27Å; L352-L950 HydrophobicContact CB-CB 4.18Å; L352-L950 HydrophobicContact CB-CD1 3.66Å; K353-L950 HydrophobicContact CD-CD1 4.42Å; K353-L950 HydrophobicContact CG-CD1 3.51Å; K353-L950 HydrophobicContact CG-CD2 3.91Å; K353-L950 HydrophobicContact CG-CG 4.36Å; L356-L950 HydrophobicContact CD1-CB 4.4Å; L356-L950 HydrophobicContact CD1-CD2 3.94Å; L946-L950 PolarHBondContact O-N 3.46Å; R947-L950 PolarHBondContact O-N 2.78Å; L950-Q952 VanDerWaalsContact C-N 3.31Å; L950-Q952 PolarHBondContact O-N 3.26Å; L950-A953 PolarHBondContact O-N 3.05Å; L950-E954 HydrophobicContact CD1-CG 4.49Å; L950-E954 PolarHBondContact O-N 2.87Å; L950-E954 VanDerWaalsContact O-N 3.16Å
951E81.2Confident77.6Confident149 Ų14998.2 Ų98.270%0.69645%0.452SS*.Hα-helixtrans-64.1-36.1-178.9-163.8174.2-164.800112.3R947 R949R947-E951 PolarHBondContact O-N 3.07Å; R949-E951 VanDerWaalsContact C-N 3.3Å; R949-E951 PolarHBondContact O-N 3.31Å
952Q79.7Confident79.1Confident141 Ų14198.8 Ų98.866%0.65945%0.451SS*.Hα-helixtrans-69.2-46.3177.9-67.1178.51.200112.1R949 L950 E954 A955 E956R949-Q952 PolarHBondContact O-N 2.95Å; L950-Q952 VanDerWaalsContact C-N 3.31Å; L950-Q952 PolarHBondContact O-N 3.26Å; Q952-E954 VanDerWaalsContact C-N 3.33Å; Q952-E954 PolarHBondContact O-N 3.09Å; Q952-A955 PolarHBondContact O-N 2.72Å; Q952-E956 PolarHBondContact O-N 2.94Å
953A82.2Confident80.2Confident4 Ų498.1 Ų98.13%0.03345%0.453CS..Hα-helixtrans-63.6-37.3-18000000112.2E348 V349 L352 R949 L950 A955 E956 R957E348-A953 HydrophobicContact CG-CB 4.09Å; V349-A953 HydrophobicContact CG2-CB 3.64Å; V349-A953 VanDerWaalsContact CG2-O 3.31Å; V349-A953 WeakPolarHBondContact CG2-O 3.29Å; L352-A953 HydrophobicContact CD1-CB 3.87Å; R949-A953 PolarHBondContact O-N 2.84Å; L950-A953 PolarHBondContact O-N 3.05Å; A953-A955 VanDerWaalsContact C-N 3.29Å; A953-A955 PolarHBondContact O-N 2.98Å; A953-E956 PolarHBondContact O-N 3.44Å; A953-R957 PolarHBondContact O-N 2.58Å; A953-R957 VanDerWaalsContact O-N 3.16Å
954E84Confident81.1Confident65 Ų6596.4 Ų96.430%0.30444%0.444SS..Hα-helixtrans-63.2-35178-76.8-166.4148.200112.8V349 K353 L950 Q952 T958V349-E954 HydrophobicContact CG1-CG 3.67Å; V349-E954 HydrophobicContact CG2-CG 4.04Å; K353-E954 WeakPolarHBondContact CE-OE1 3.3Å; K353-E954 IonicContact NZ-OE1 3.03Å; K353-E954 PolarHBondContact NZ-OE1 2.89Å; L950-E954 HydrophobicContact CD1-CG 4.49Å; L950-E954 PolarHBondContact O-N 2.87Å; L950-E954 VanDerWaalsContact O-N 3.16Å; Q952-E954 VanDerWaalsContact C-N 3.33Å; Q952-E954 PolarHBondContact O-N 3.09Å; E954-T958 PolarHBondContact O-N 3.3Å
955A85.1Confident82Confident42 Ų4298.2 Ų98.235%0.34744%0.444SS..Hα-helixtrans-67.1-41.7177.400000112.1Q952 A953 T958 R959Q952-A955 PolarHBondContact O-N 2.72Å; A953-A955 VanDerWaalsContact C-N 3.29Å; A953-A955 PolarHBondContact O-N 2.98Å; A955-T958 PolarHBondContact O-N 3.44Å; A955-T958 PolarHBondContact O-OG1 2.67Å; A955-R959 PolarHBondContact O-N 3.21Å
956E82.3Confident83Confident112 Ų11292.7 Ų92.752%0.52343%0.432SS..Hα-helixtrans-67.2-40.4179-68.7-168.8161.400112.3Q952 A953 T958 R959 A960Q952-E956 PolarHBondContact O-N 2.94Å; A953-E956 PolarHBondContact O-N 3.44Å; E956-T958 VanDerWaalsContact C-N 3.27Å; E956-T958 PolarHBondContact O-N 3.46Å; E956-R959 PolarHBondContact O-N 2.87Å; E956-A960 PolarHBondContact O-N 3.3Å; E956-A960 VanDerWaalsContact O-N 3.16Å
957R86.1Confident83.7Confident53 Ų5394.1 Ų94.120%0.244%0.438CS..Hα-helixtrans-55.8-40.9174.3-171.6-168.869.2167.11.6112.8A345 E346 V349 A953 R961A345-R957 HydrophobicContact CB-CB 4.1Å; E346-R957 HydrophobicContact CG-CG 3.8Å; V349-R957 HydrophobicContact CG2-CB 4.18Å; A953-R957 PolarHBondContact O-N 2.58Å; A953-R957 VanDerWaalsContact O-N 3.16Å; R957-R961 PolarHBondContact O-N 2.92Å
958T86.5Confident84.2Confident72 Ų7287.7 Ų87.744%0.44242%0.422SS..Hα-helixtrans-66.4-42.217955.90000112.6E954 A955 E956 A960 R961 E962E954-T958 PolarHBondContact O-N 3.3Å; A955-T958 PolarHBondContact O-N 3.44Å; A955-T958 PolarHBondContact O-OG1 2.67Å; E956-T958 VanDerWaalsContact C-N 3.27Å; E956-T958 PolarHBondContact O-N 3.46Å; T958-A960 PolarHBondContact O-N 2.93Å; T958-R961 PolarHBondContact O-N 3.4Å; T958-E962 PolarHBondContact O-N 2.91Å
959R85.4Confident84.8Confident175 Ų17583.9 Ų83.966%0.6641%0.414SS*.Hα-helixtrans-63.7-42179.1-68.4-177.7-168.5158.25.5112.5A955 E956 R961 E962 A963A955-R959 PolarHBondContact O-N 3.21Å; E956-R959 PolarHBondContact O-N 2.87Å; R959-R961 PolarHBondContact O-N 3.34Å; R959-E962 PolarHBondContact O-N 2.87Å; R959-A963 PolarHBondContact O-N 3.48Å
960A85.5Confident85.4Confident16 Ų1680.1 Ų80.113%0.13240%0.404CS..Hα-helixtrans-65.2-39.4-178.400000112.3A342 E956 T958 E962 A963 L964A342-A960 HydrophobicContact CB-CB 4.05Å; E956-A960 PolarHBondContact O-N 3.3Å; E956-A960 VanDerWaalsContact O-N 3.16Å; T958-A960 PolarHBondContact O-N 2.93Å; A960-E962 PolarHBondContact O-N 3.03Å; A960-A963 PolarHBondContact O-N 3.5Å; A960-L964 PolarHBondContact O-N 2.88Å
961R87.2Confident85.7Confident112 Ų11280 Ų8042%0.42340%0.403SS..Hα-helixtrans-66.2-33.5176.6-76-179.5170.4-175.2-3.3113.7E346 R957 T958 R959 R965E346-R961 IonicContact OE1-CZ 2.68Å; E346-R961 IonicContact OE1-NE 3.93Å; E346-R961 PolarHBondContact OE1-NE 3.01Å; E346-R961 IonicContact OE1-NH2 2.84Å; E346-R961 PolarHBondContact OE1-NH2 3.49Å; E346-R961 IonicContact OE2-NH2 3.86Å; E346-R961 PolarHBondContact OE2-NH2 3.28Å; R957-R961 PolarHBondContact O-N 2.92Å; T958-R961 PolarHBondContact O-N 3.4Å; R959-R961 PolarHBondContact O-N 3.34Å; R961-R965 PolarHBondContact O-N 3.39Å
962E86.8Confident86.1Confident146 Ų14676.1 Ų76.168%0.68239%0.392SS*.Hα-helixtrans-70.4-42.2177.7-74.1-177.516800112.2T958 R959 A960 L964 R965 G966T958-E962 PolarHBondContact O-N 2.91Å; R959-E962 PolarHBondContact O-N 2.87Å; A960-E962 PolarHBondContact O-N 3.03Å; E962-L964 VanDerWaalsContact C-N 3.35Å; E962-L964 PolarHBondContact O-N 3.48Å; E962-R965 PolarHBondContact O-N 3.37Å; E962-G966 PolarHBondContact O-N 3.1Å
963A85.6Confident86.6Confident43 Ų4375.3 Ų75.336%0.35539%0.389SS..Hα-helixtrans-60.7-43.2177.800000112.2R959 A960 R965 G966 H967R959-A963 PolarHBondContact O-N 3.48Å; A960-A963 PolarHBondContact O-N 3.5Å; A963-R965 PolarHBondContact O-N 3.39Å; A963-G966 PolarHBondContact O-N 2.93Å; A963-H967 PolarHBondContact O-N 3.39Å
964L87.3Confident87.1Confident39 Ų3979.3 Ų79.320%0.20440%0.404CS..Hα-helixtrans-59.4-45.3178.5176.357.5000112.8Q335 N338 E339 A960 E962 G966 A968Q335-L964 HydrophobicContact CG-CD1 4.29Å; N338-L964 HydrophobicContact CB-CB 4.3Å; N338-L964 HydrophobicContact CB-CD1 4.14Å; E339-L964 HydrophobicContact CB-CD1 4.29Å; E339-L964 HydrophobicContact CG-CD1 3.23Å; E339-L964 HydrophobicContact CG-CD2 3.85Å; E339-L964 HydrophobicContact CG-CG 4.16Å; A960-L964 PolarHBondContact O-N 2.88Å; E962-L964 VanDerWaalsContact C-N 3.35Å; E962-L964 PolarHBondContact O-N 3.48Å; L964-G966 VanDerWaalsContact C-N 3.3Å; L964-G966 PolarHBondContact O-N 3.36Å; L964-A968 PolarHBondContact O-N 3.45Å
965R88.8Confident87.4Confident203 Ų20379.6 Ų79.677%0.76641%0.407SS*.Hα-helixtrans-62.8-35179-83.1-176.1-179.7157.60.9113.2R961 E962 A963R961-R965 PolarHBondContact O-N 3.39Å; E962-R965 PolarHBondContact O-N 3.37Å; A963-R965 PolarHBondContact O-N 3.39Å
966G87.1Confident87.7Confident42 Ų4284.1 Ų84.143%0.43342%0.421SS..Hα-helixtrans-64.8-45.5-178.600000113.1E962 A963 L964 A969E962-G966 PolarHBondContact O-N 3.1Å; A963-G966 PolarHBondContact O-N 2.93Å; L964-G966 VanDerWaalsContact C-N 3.3Å; L964-G966 PolarHBondContact O-N 3.36Å; G966-A969 PolarHBondContact O-N 3.15Å
967H86Confident88Confident52 Ų5281.9 Ų81.924%0.24142%0.415CS..Hα-helixtrans-73.1-34.8-177.6-82.2-64.3000113.5N338 A963 A969 Q970 L971N338-H967 PolarHBondContact ND2-CD2 2.94Å; A963-H967 PolarHBondContact O-N 3.39Å; H967-A969 PolarHBondContact O-N 3.49Å; H967-Q970 PolarHBondContact ND1-OE1 2.77Å; H967-Q970 PolarHBondContact O-N 3.45Å; H967-Q970 VanDerWaalsContact O-N 3.11Å; H967-L971 PolarHBondContact O-N 2.87Å
968A86.9Confident88.2Confident39 Ų3980.7 Ų80.732%0.32241%0.412SS..Hα-helixtrans-58.7-33.7175.900000113.1L964L964-A968 PolarHBondContact O-N 3.45Å
969A88.5Confident88.3Confident59 Ų5980.2 Ų80.249%0.48842%0.416SS..Hα-helixtrans-70.6-35.8177.100000113.1G966 H967G966-A969 PolarHBondContact O-N 3.15Å; H967-A969 PolarHBondContact O-N 3.49Å
970Q88.4Confident88.5Confident90 Ų9075.1 Ų75.142%0.42141%0.407SS..Hα-helixtrans-69-44.1178.7-69.4177.6-17.500111.4H967 S972 Q973 Y974H967-Q970 PolarHBondContact ND1-OE1 2.77Å; H967-Q970 PolarHBondContact O-N 3.45Å; H967-Q970 VanDerWaalsContact O-N 3.11Å; Q970-S972 PolarHBondContact O-N 3.23Å; Q970-Q973 PolarHBondContact O-N 3.21Å; Q970-Y974 HydrophobicContact CB-CE2 4.43Å; Q970-Y974 WeakPolarHBondContact O-CD2 3.49Å; Q970-Y974 PolarHBondContact O-N 3.37Å
971L89.6Confident88.7Confident26 Ų2675.7 Ų75.714%0.13641%0.408CS..Hα-helixtrans-57.3-37.5178.3179.362.8000112.4V328 A331 I332 H967 Q973 N975V328-L971 HydrophobicContact CG1-CD1 4.39Å; A331-L971 HydrophobicContact CB-CD1 3.75Å; I332-L971 HydrophobicContact CD1-CD1 4.43Å; I332-L971 HydrophobicContact CG1-CD1 3.5Å; I332-L971 HydrophobicContact CG1-CD2 4Å; I332-L971 HydrophobicContact CG1-CG 4.41Å; H967-L971 PolarHBondContact O-N 2.87Å; L971-Q973 VanDerWaalsContact C-N 3.33Å; L971-Q973 PolarHBondContact O-N 2.89Å; L971-N975 PolarHBondContact O-N 3.41Å; L971-N975 PolarHBondContact O-ND2 3.16Å
972S89.8Confident88.9Confident67 Ų6776 Ų7647%0.46941%0.412SS..Hα-helixtrans-64.4-34.8177.6-179.10000113.2Q970 Q976Q970-S972 PolarHBondContact O-N 3.23Å; S972-Q976 PolarHBondContact O-N 3.38Å
973Q90.1Very high89Confident125 Ų12572.6 Ų72.658%0.58440%0.404SS*.Hα-helixtrans-71.2-43.8-179.8-67179.22.300111.6Q970 L971 N975 Q976 V977Q970-Q973 PolarHBondContact O-N 3.21Å; L971-Q973 VanDerWaalsContact C-N 3.33Å; L971-Q973 PolarHBondContact O-N 2.89Å; Q973-N975 VanDerWaalsContact C-N 3.29Å; Q973-N975 PolarHBondContact O-N 3.19Å; Q973-Q976 PolarHBondContact O-N 2.82Å; Q973-Q976 VanDerWaalsContact O-N 3.14Å; Q973-V977 PolarHBondContact O-N 3.31Å
974Y92.5Very high89.1Confident88 Ų8872.5 Ų72.535%0.34540%0.401SS..Hα-helixtrans-63.1-35.9179.5-61.3-41.1000112.8Q324 V327 A331 Q970 Q976 V977 L978Q324-Y974 PolarHBondContact NE2-O 2.79Å; V327-Y974 HydrophobicContact CG1-CD1 3.77Å; V327-Y974 HydrophobicContact CG1-CD2 3.94Å; V327-Y974 HydrophobicContact CG1-CE1 3.9Å; V327-Y974 HydrophobicContact CG1-CE2 4.05Å; V327-Y974 HydrophobicContact CG1-CG 3.8Å; A331-Y974 HydrophobicContact CB-CD2 3.76Å; A331-Y974 HydrophobicContact CB-CE2 4.08Å; Q970-Y974 HydrophobicContact CB-CE2 4.43Å; Q970-Y974 WeakPolarHBondContact O-CD2 3.49Å; Q970-Y974 PolarHBondContact O-N 3.37Å; Y974-Q976 VanDerWaalsContact C-N 3.33Å; Y974-Q976 PolarHBondContact O-N 3.45Å; Y974-V977 PolarHBondContact O-N 2.96Å; Y974-L978 PolarHBondContact O-N 3.33Å
975N90.9Very high89.3Confident70 Ų7072.6 Ų72.637%0.37440%0.399SS..Hα-helixtrans-64.8-33175.1-81.7-60.7000113.5V328 L971 Q973 A979V328-N975 WeakPolarHBondContact CG1-OD1 3.24Å; L971-N975 PolarHBondContact O-N 3.41Å; L971-N975 PolarHBondContact O-ND2 3.16Å; Q973-N975 VanDerWaalsContact C-N 3.29Å; Q973-N975 PolarHBondContact O-N 3.19Å; N975-A979 PolarHBondContact O-N 2.9Å
976Q90.5Very high89.3Confident137 Ų13766.5 Ų66.564%0.6438%0.382SS*.Hα-helixtrans-68-41.5177.4-73.3-179.1-4.700112.2S972 Q973 Y974 A979 S980S972-Q976 PolarHBondContact O-N 3.38Å; Q973-Q976 PolarHBondContact O-N 2.82Å; Q973-Q976 VanDerWaalsContact O-N 3.14Å; Y974-Q976 VanDerWaalsContact C-N 3.33Å; Y974-Q976 PolarHBondContact O-N 3.45Å; Q976-A979 PolarHBondContact O-N 3.32Å; Q976-S980 PolarHBondContact O-N 2.86Å
977V88.9Confident89.2Confident65 Ų6567.7 Ų67.739%0.39438%0.381SS..Hα-helixtrans-63.7-44.2177.3179.50000110.2Q324 Q973 Y974 A979 S980 L981Q324-V977 HydrophobicContact CG-CB 4.28Å; Q324-V977 HydrophobicContact CG-CG1 3.99Å; Q973-V977 PolarHBondContact O-N 3.31Å; Y974-V977 PolarHBondContact O-N 2.96Å; V977-A979 VanDerWaalsContact C-N 3.35Å; V977-A979 PolarHBondContact O-N 3.34Å; V977-S980 PolarHBondContact O-N 3.47Å; V977-S980 VanDerWaalsContact O-N 3.13Å; V977-S980 PolarHBondContact O-OG 2.94Å; V977-L981 HydrophobicContact CG1-CD1 4.19Å; V977-L981 PolarHBondContact O-N 2.84Å; V977-L981 VanDerWaalsContact O-N 3.13Å
978L90.5Very high89.3Confident28 Ų2867.7 Ų67.715%0.14738%0.38CS..Hα-helixtrans-57.4-45.6177.8-177.460.9000112.5Q324 N325 V328 Y974 S980 L981 K982Q324-L978 HydrophobicContact CB-CD1 4.13Å; Q324-L978 HydrophobicContact CG-CB 3.85Å; Q324-L978 HydrophobicContact CG-CD1 4.09Å; N325-L978 VanDerWaalsContact OD1-CD1 3.26Å; N325-L978 WeakPolarHBondContact OD1-CD1 3.4Å; N325-L978 WeakPolarHBondContact OD1-CD2 3.37Å; V328-L978 HydrophobicContact CG2-CB 4.4Å; V328-L978 HydrophobicContact CG2-CD2 4.17Å; Y974-L978 PolarHBondContact O-N 3.33Å; L978-S980 VanDerWaalsContact C-N 3.3Å; L978-S980 PolarHBondContact O-N 2.99Å; L978-L981 PolarHBondContact O-N 3.2Å; L978-K982 PolarHBondContact O-N 2.68Å
979A88Confident89.4Confident62 Ų6270.3 Ų70.351%0.51238%0.384SS..Hα-helixtrans-62.4-37.3178.200000112.5N975 Q976 V977 S983N975-A979 PolarHBondContact O-N 2.9Å; Q976-A979 PolarHBondContact O-N 3.32Å; V977-A979 VanDerWaalsContact C-N 3.35Å; V977-A979 PolarHBondContact O-N 3.34Å; A979-S983 PolarHBondContact O-N 2.98Å
980S90.4Very high89.2Confident69 Ų6973.7 Ų73.748%0.48339%0.39SS..Hα-helixtrans-67.8-42.3179.575.30000113Q976 V977 L978 K982 S984Q976-S980 PolarHBondContact O-N 2.86Å; V977-S980 PolarHBondContact O-N 3.47Å; V977-S980 VanDerWaalsContact O-N 3.13Å; V977-S980 PolarHBondContact O-OG 2.94Å; L978-S980 VanDerWaalsContact C-N 3.3Å; L978-S980 PolarHBondContact O-N 2.99Å; S980-K982 VanDerWaalsContact C-N 3.35Å; S980-K982 PolarHBondContact O-N 2.95Å; S980-S984 PolarHBondContact O-N 3.27Å
981L89.9Confident89.1Confident27 Ų2773.2 Ų73.214%0.14139%0.39CS..Hα-helixtrans-64.4-41.9178.4-71.2169.8000111.1R320 L321 Q324 V977 L978 S984 Y985R320-L981 HydrophobicContact CB-CD1 4.32Å; R320-L981 HydrophobicContact CB-CD2 4.16Å; L321-L981 HydrophobicContact CD1-CB 4.23Å; L321-L981 HydrophobicContact CG-CB 4.36Å; Q324-L981 HydrophobicContact CB-CD1 3.77Å; Q324-L981 HydrophobicContact CG-CD1 4.09Å; V977-L981 HydrophobicContact CG1-CD1 4.19Å; V977-L981 PolarHBondContact O-N 2.84Å; V977-L981 VanDerWaalsContact O-N 3.13Å; L978-L981 PolarHBondContact O-N 3.2Å; L981-S984 PolarHBondContact O-N 2.9Å; L981-Y985 PolarHBondContact O-N 2.94Å
982K89.9Confident88.9Confident120 Ų12072.7 Ų72.752%0.52239%0.387SS..Hα-helixtrans-62.7-45.8179.2-163.6172-177.11750113.1L321 L978 S980 S984 Y985 D986L321-K982 VanDerWaalsContact CD1-CA 3.43Å; L321-K982 HydrophobicContact CD1-CB 3.95Å; L321-K982 HydrophobicContact CD1-CG 4.3Å; L978-K982 PolarHBondContact O-N 2.68Å; S980-K982 VanDerWaalsContact C-N 3.35Å; S980-K982 PolarHBondContact O-N 2.95Å; K982-S984 VanDerWaalsContact C-N 3.3Å; K982-S984 PolarHBondContact O-N 2.89Å; K982-Y985 PolarHBondContact O-N 2.79Å; K982-D986 VanDerWaalsContact O-CG 3.31Å; K982-D986 PolarHBondContact O-N 3.12Å
983S88.7Confident88.7Confident74 Ų7473 Ų7352%0.51738%0.383SS..Hα-helixtrans-57.4-42173.4160.30000112.8A979 T987A979-S983 PolarHBondContact O-N 2.98Å; S983-T987 WeakPolarHBondContact O-CG2 3.43Å; S983-T987 PolarHBondContact O-N 2.82Å; S983-T987 PolarHBondContact O-OG1 2.8Å
984S88.6Confident88.4Confident41 Ų4171.3 Ų71.329%0.28738%0.378SS..Hα-helixtrans-68.6-36.9179.1-175.30000112.4S980 L981 K982 T987 K988S980-S984 PolarHBondContact O-N 3.27Å; L981-S984 PolarHBondContact O-N 2.9Å; K982-S984 VanDerWaalsContact C-N 3.3Å; K982-S984 PolarHBondContact O-N 2.89Å; S984-T987 PolarHBondContact O-OG1 2.83Å; S984-T987 VanDerWaalsContact O-OG1 3.07Å; S984-K988 PolarHBondContact O-N 2.87Å
985Y91.4Very high88Confident41 Ų4167.9 Ų67.916%0.16137%0.366CS..Hα-helixtrans-66.3-48.2177.8179.2-93.5000111.1L314 L317 Q318 L981 K982 T987 K988 K989L314-Y985 HydrophobicContact CB-CE2 4.43Å; L314-Y985 HydrophobicContact CD2-CD2 3.73Å; L314-Y985 HydrophobicContact CD2-CE2 3.75Å; L314-Y985 HydrophobicContact CD2-CG 4.29Å; L314-Y985 WeakPolarHBondContact CD2-O 3.19Å; L317-Y985 HydrophobicContact CB-CD2 3.9Å; Q318-Y985 HydrophobicContact CB-CD2 4.47Å; Q318-Y985 HydrophobicContact CB-CE2 3.91Å; Q318-Y985 HydrophobicContact CG-CE2 4.49Å; L981-Y985 PolarHBondContact O-N 2.94Å; K982-Y985 PolarHBondContact O-N 2.79Å; Y985-T987 PolarHBondContact O-N 3.27Å; Y985-K988 PolarHBondContact O-N 3.19Å; Y985-K989 HydrophobicContact CE1-CD 3.97Å; Y985-K989 WeakPolarHBondContact O-CB 3.48Å; Y985-K989 PolarHBondContact O-N 3Å; Y985-K989 VanDerWaalsContact O-N 3.12Å
986D88.2Confident87.6Confident75 Ų7567.8 Ų67.840%0.40136%0.363SS..Hα-helixtrans-61.9-43.4-177.1-67.3-26.6000111.8K982 K989 E990K982-D986 VanDerWaalsContact O-CG 3.31Å; K982-D986 PolarHBondContact O-N 3.12Å; D986-K989 PolarHBondContact O-N 3.03Å; D986-E990 PolarHBondContact O-N 3.16Å; D986-E990 VanDerWaalsContact O-N 3.12Å
987T85.9Confident87.2Confident67 Ų6769.4 Ų69.441%0.41136%0.364SS..Hα-helixtrans-64.6-42.3179.849.20000113.5S983 S984 Y985 K989 E990 L991S983-T987 WeakPolarHBondContact O-CG2 3.43Å; S983-T987 PolarHBondContact O-N 2.82Å; S983-T987 PolarHBondContact O-OG1 2.8Å; S984-T987 PolarHBondContact O-OG1 2.83Å; S984-T987 VanDerWaalsContact O-OG1 3.07Å; Y985-T987 PolarHBondContact O-N 3.27Å; T987-K989 VanDerWaalsContact C-N 3.31Å; T987-K989 PolarHBondContact O-N 3.28Å; T987-E990 PolarHBondContact O-N 3.03Å; T987-L991 WeakPolarHBondContact O-CD1 3.2Å; T987-L991 PolarHBondContact O-N 3.22Å
988K87.8Confident86.9Confident52 Ų5270.9 Ų70.923%0.22637%0.366CS..Hα-helixtrans-68.4-32.3177.2-71.5-162.6-172.6-1760112.2Y310 D313 L314 L317 S984 Y985 L991 L992Y310-K988 HydrophobicContact CD1-CB 4.41Å; Y310-K988 HydrophobicContact CD1-CD 4.48Å; Y310-K988 HydrophobicContact CD1-CG 4.47Å; D313-K988 HydrophobicContact CB-CD 3.87Å; D313-K988 IonicContact OD2-NZ 3.19Å; D313-K988 PolarHBondContact OD2-NZ 3.09Å; L314-K988 HydrophobicContact CD2-CB 3.83Å; L314-K988 HydrophobicContact CG-CB 4.15Å; L317-K988 HydrophobicContact CD1-CD 3.77Å; L317-K988 HydrophobicContact CD1-CG 4.37Å; S984-K988 PolarHBondContact O-N 2.87Å; Y985-K988 PolarHBondContact O-N 3.19Å; K988-L991 PolarHBondContact O-N 3.19Å; K988-L992 PolarHBondContact O-N 3.29Å
989K87.9Confident86.4Confident94 Ų9471.3 Ų71.341%0.40937%0.368SS..Hα-helixtrans-68-39177.8-170174.3-177170.20112.2L314 Y985 D986 T987 L992 N993L314-K989 HydrophobicContact CD1-CB 4.21Å; L314-K989 HydrophobicContact CD2-CB 3.91Å; Y985-K989 HydrophobicContact CE1-CD 3.97Å; Y985-K989 WeakPolarHBondContact O-CB 3.48Å; Y985-K989 PolarHBondContact O-N 3Å; Y985-K989 VanDerWaalsContact O-N 3.12Å; D986-K989 PolarHBondContact O-N 3.03Å; T987-K989 VanDerWaalsContact C-N 3.31Å; T987-K989 PolarHBondContact O-N 3.28Å; K989-L992 PolarHBondContact O-N 2.93Å; K989-N993 VanDerWaalsContact O-CG 3.29Å; K989-N993 PolarHBondContact O-N 3.02Å; K989-N993 PolarHBondContact O-ND2 3.16Å; K989-N993 VanDerWaalsContact O-ND2 3.11Å
990E85.5Confident86Confident129 Ų12975.7 Ų75.760%0.60338%0.378SS*.Hα-helixtrans-63.2-48.6173.5-73.2-178.3167.500111.6D986 T987 L992 N993 D994D986-E990 PolarHBondContact O-N 3.16Å; D986-E990 VanDerWaalsContact O-N 3.12Å; T987-E990 PolarHBondContact O-N 3.03Å; E990-L992 VanDerWaalsContact C-N 3.29Å; E990-L992 PolarHBondContact O-N 3.38Å; E990-N993 PolarHBondContact O-N 2.87Å; E990-N993 VanDerWaalsContact O-N 3.14Å; E990-D994 PolarHBondContact O-N 2.9Å
991L86Confident85.3Confident80 Ų8079.2 Ų79.242%0.41939%0.392SS..Hα-helixtrans-59.1-38.7177.2-97.1105.8000113.1Y310 T987 K988 D994 L995Y310-L991 HydrophobicContact CE1-CB 4.41Å; Y310-L991 HydrophobicContact CE1-CD2 4.41Å; T987-L991 WeakPolarHBondContact O-CD1 3.2Å; T987-L991 PolarHBondContact O-N 3.22Å; K988-L991 PolarHBondContact O-N 3.19Å; L991-D994 PolarHBondContact O-N 3.27Å; L991-L995 WeakPolarHBondContact O-CG 3.44Å; L991-L995 PolarHBondContact O-N 3.33Å
992L85.5Confident84.8Confident16 Ų1679.7 Ų79.78%0.08439%0.394CS..Hα-helixtrans-59.8-48.1175.7-175.884.3000111.3I307 E311 L314 K988 K989 E990 D994 L995 Q996I307-L992 HydrophobicContact CG2-CD1 4.07Å; I307-L992 WeakPolarHBondContact O-CD1 3.39Å; E311-L992 HydrophobicContact CG-CD1 3.51Å; E311-L992 HydrophobicContact CG-CD2 3.99Å; E311-L992 HydrophobicContact CG-CG 4.37Å; L314-L992 HydrophobicContact CD1-CB 4.19Å; L314-L992 HydrophobicContact CD1-CD2 3.95Å; K988-L992 PolarHBondContact O-N 3.29Å; K989-L992 PolarHBondContact O-N 2.93Å; E990-L992 VanDerWaalsContact C-N 3.29Å; E990-L992 PolarHBondContact O-N 3.38Å; L992-D994 VanDerWaalsContact C-N 3.29Å; L992-D994 PolarHBondContact O-N 3.33Å; L992-L995 PolarHBondContact O-N 2.87Å; L992-Q996 WeakPolarHBondContact O-CG 3.27Å; L992-Q996 PolarHBondContact O-N 3.18Å
993N85.7Confident84Confident73 Ų7377.1 Ų77.139%0.3940%0.402SS..Hα-helixtrans-63.1-38.2-178.9-68.7-32.8000111.7K989 E990 Q996 R997K989-N993 VanDerWaalsContact O-CG 3.29Å; K989-N993 PolarHBondContact O-N 3.02Å; K989-N993 PolarHBondContact O-ND2 3.16Å; K989-N993 VanDerWaalsContact O-ND2 3.11Å; E990-N993 PolarHBondContact O-N 2.87Å; E990-N993 VanDerWaalsContact O-N 3.14Å; N993-Q996 PolarHBondContact O-N 3.35Å; N993-R997 PolarHBondContact O-N 3.42Å
994D84.3Confident83.3Confident89 Ų8974.9 Ų74.948%0.47639%0.385SS..Hα-helixtrans-64.1-46176-71.7-18.9000110.9E990 L991 L992 Q996 R997 E998E990-D994 PolarHBondContact O-N 2.9Å; L991-D994 PolarHBondContact O-N 3.27Å; L992-D994 VanDerWaalsContact C-N 3.29Å; L992-D994 PolarHBondContact O-N 3.33Å; D994-Q996 PolarHBondContact O-N 3.06Å; D994-R997 PolarHBondContact O-N 3.31Å; D994-E998 WeakPolarHBondContact O-CG 3.38Å; D994-E998 PolarHBondContact O-N 3.32Å
995L84Confident82.2Confident16 Ų1683.6 Ų83.68%0.08441%0.412CS..Hα-helixtrans-61.9-40.3176.5-71.5168.8000112.7Q303 K306 I307 Y310 L991 L992 R997 E998 L999Q303-L995 HydrophobicContact CG-CD2 4.49Å; K306-L995 HydrophobicContact CB-CD1 3.88Å; K306-L995 HydrophobicContact CB-CD2 4.47Å; K306-L995 HydrophobicContact CD-CD2 4.13Å; I307-L995 HydrophobicContact CD1-CB 4.26Å; I307-L995 HydrophobicContact CG1-CB 3.67Å; Y310-L995 HydrophobicContact CD2-CD1 3.53Å; Y310-L995 HydrophobicContact CE2-CD1 3.7Å; L991-L995 WeakPolarHBondContact O-CG 3.44Å; L991-L995 PolarHBondContact O-N 3.33Å; L992-L995 PolarHBondContact O-N 2.87Å; L995-R997 VanDerWaalsContact C-N 3.35Å; L995-E998 PolarHBondContact O-N 2.75Å; L995-L999 WeakPolarHBondContact O-CB 3.43Å; L995-L999 PolarHBondContact O-N 2.88Å
996Q82.6Confident80.8Confident69 Ų6982.7 Ų82.732%0.32241%0.413SS..Hα-helixtrans-65.3-37176.8-74.7-178.9-8.800112.2I307 E311 L992 N993 D994 Q1000I307-Q996 HydrophobicContact CD1-CG 3.94Å; I307-Q996 HydrophobicContact CG1-CG 4.19Å; I307-Q996 HydrophobicContact CG2-CG 4.06Å; E311-Q996 PolarHBondContact OE1-NE2 3.34Å; E311-Q996 VanDerWaalsContact OE1-NE2 3.14Å; L992-Q996 WeakPolarHBondContact O-CG 3.27Å; L992-Q996 PolarHBondContact O-N 3.18Å; N993-Q996 PolarHBondContact O-N 3.35Å; D994-Q996 PolarHBondContact O-N 3.06Å; Q996-Q1000 PolarHBondContact O-N 3.07Å
997R82.4Confident80.1Confident171 Ų17182.7 Ų82.765%0.64541%0.413SS*.Hα-helixtrans-67.8-46.2173.5-79.2-178.7178.6173.21.7112.1N993 D994 L995 L999 Q1000 D1001N993-R997 PolarHBondContact O-N 3.42Å; D994-R997 PolarHBondContact O-N 3.31Å; L995-R997 VanDerWaalsContact C-N 3.35Å; R997-L999 VanDerWaalsContact C-N 3.26Å; R997-L999 PolarHBondContact O-N 3Å; R997-Q1000 WeakPolarHBondContact O-CB 3.44Å; R997-Q1000 PolarHBondContact O-N 3.27Å; R997-Q1000 VanDerWaalsContact O-N 3.12Å; R997-D1001 PolarHBondContact O-N 3.49Å
998E80.9Confident79.2Confident95 Ų9586.1 Ų86.144%0.44444%0.439SS..Hα-helixtrans-58.1-41.2177-70.5-178.5174.500111.3Q303 D994 L995 Q1000 D1001 I1002Q303-E998 VanDerWaalsContact NE2-CB 3.34Å; Q303-E998 PolarHBondContact NE2-OE2 3.45Å; D994-E998 WeakPolarHBondContact O-CG 3.38Å; D994-E998 PolarHBondContact O-N 3.32Å; L995-E998 PolarHBondContact O-N 2.75Å; E998-Q1000 VanDerWaalsContact C-N 3.34Å; E998-Q1000 PolarHBondContact O-N 3.3Å; E998-D1001 PolarHBondContact O-N 3.37Å; E998-I1002 WeakPolarHBondContact O-CG1 3.4Å; E998-I1002 PolarHBondContact O-N 3.48Å; E998-I1002 VanDerWaalsContact O-N 3.11Å
999L80.7Confident78.7Confident37 Ų3784.7 Ų84.719%0.19444%0.439CS..Hα-helixtrans-64.9-38177.6-173.967.8000112.1A300 Q303 Q304 I307 L995 R997A300-L999 HydrophobicContact CB-CD1 3.84Å; A300-L999 WeakPolarHBondContact O-CD1 3.28Å; Q303-L999 HydrophobicContact CB-CD1 4.14Å; Q304-L999 HydrophobicContact CB-CD2 4.31Å; Q304-L999 HydrophobicContact CG-CD2 4.47Å; I307-L999 HydrophobicContact CD1-CB 4.16Å; I307-L999 HydrophobicContact CD1-CD2 3.74Å; L995-L999 WeakPolarHBondContact O-CB 3.43Å; L995-L999 PolarHBondContact O-N 2.88Å; R997-L999 VanDerWaalsContact C-N 3.26Å; R997-L999 PolarHBondContact O-N 3Å
1000Q78.8Confident78.1Confident154 Ų15480.8 Ų80.872%0.7242%0.424SS*.Hα-helixtrans-65.7-41.7174.1-78.4-178.5-2.400112.1Q996 R997 E998 I1002 G1003Q996-Q1000 PolarHBondContact O-N 3.07Å; R997-Q1000 WeakPolarHBondContact O-CB 3.44Å; R997-Q1000 PolarHBondContact O-N 3.27Å; R997-Q1000 VanDerWaalsContact O-N 3.12Å; E998-Q1000 VanDerWaalsContact C-N 3.34Å; E998-Q1000 PolarHBondContact O-N 3.3Å; Q1000-I1002 VanDerWaalsContact C-N 3.28Å; Q1000-I1002 PolarHBondContact O-N 2.91Å; Q1000-G1003 PolarHBondContact O-N 2.93Å; Q1000-G1003 VanDerWaalsContact O-N 3.08Å
1001D76.4Confident77.8Confident144 Ų14478.1 Ų78.177%0.7741%0.412SS*.Hα-helixtrans-66.4-28.3179.8-73.1-20.5000112.6R997 E998 G1003R997-D1001 PolarHBondContact O-N 3.49Å; E998-D1001 PolarHBondContact O-N 3.37Å; D1001-G1003 VanDerWaalsContact C-N 3.28Å; D1001-G1003 PolarHBondContact O-N 3.5Å
1002I80.5Confident77.3Confident36 Ų3680.8 Ų80.819%0.18542%0.422CS..Hα-helixtrans-66.9-29.4173.1-66.8171000111.6L296 T299 A300 E998 Q1000 V1004L296-I1002 HydrophobicContact CB-CG2 4.38Å; L296-I1002 HydrophobicContact CD2-CG2 4.42Å; T299-I1002 HydrophobicContact CG2-CD1 3.99Å; A300-I1002 HydrophobicContact CB-CG2 4.02Å; E998-I1002 WeakPolarHBondContact O-CG1 3.4Å; E998-I1002 PolarHBondContact O-N 3.48Å; E998-I1002 VanDerWaalsContact O-N 3.11Å; Q1000-I1002 VanDerWaalsContact C-N 3.28Å; Q1000-I1002 PolarHBondContact O-N 2.91Å; I1002-V1004 HydrophobicContact CG2-CB 4.09Å; I1002-V1004 HydrophobicContact CG2-CG2 3.83Å; I1002-V1004 PolarHBondContact O-N 3.35Å; I1002-V1004 VanDerWaalsContact O-N 3.11Å
1003G72.7Confident77.1Confident67 Ų6787.1 Ų87.169%0.69145%0.445SS*.  trans67.58.6172.500000116.1Q1000 D1001Q1000-G1003 PolarHBondContact O-N 2.93Å; Q1000-G1003 VanDerWaalsContact O-N 3.08Å; D1001-G1003 VanDerWaalsContact C-N 3.28Å; D1001-G1003 PolarHBondContact O-N 3.5Å
1004V72.6Confident77Confident27 Ų2784.1 Ų84.116%0.16443%0.43CS..  trans-94.6129.7-179.4178.30000110.5L296 V297 A300 I1002 A1006L296-V1004 HydrophobicContact CB-CG2 4.03Å; V297-V1004 HydrophobicContact CB-CG1 4.32Å; V297-V1004 HydrophobicContact CG2-CG1 3.65Å; A300-V1004 HydrophobicContact CB-CB 4.35Å; I1002-V1004 HydrophobicContact CG2-CB 4.09Å; I1002-V1004 HydrophobicContact CG2-CG2 3.83Å; I1002-V1004 PolarHBondContact O-N 3.35Å; I1002-V1004 VanDerWaalsContact O-N 3.11Å; V1004-A1006 PolarHBondContact O-N 3.42Å; V1004-A1006 VanDerWaalsContact O-N 3.13Å
1005R65.3Low77Confident224 Ų22486.4 Ų86.485%0.84543%0.432SS*.  trans-77.495170.4-73.6-175.4178.61780.7109.8D1007R1005-D1007 PolarHBondContact O-N 2.97Å
1006A62Low77Confident22 Ų2289.6 Ų89.618%0.18245%0.449CS..  trans-74.190.2174.800000110.5A300 L301 Q304 V1004A300-A1006 HydrophobicContact CB-CB 4.36Å; L301-A1006 HydrophobicContact CD2-CB 3.97Å; L301-A1006 HydrophobicContact CG-CB 4.11Å; Q304-A1006 VanDerWaalsContact OE1-CB 3.26Å; V1004-A1006 PolarHBondContact O-N 3.42Å; V1004-A1006 VanDerWaalsContact O-N 3.13Å
1007D74.6Confident77.1Confident75 Ų7592.3 Ų92.340%0.40146%0.456SS..  trans-97.3166.1163.367.324.7000110.7R1005 G1009 A1010 R1013R1005-D1007 PolarHBondContact O-N 2.97Å; D1007-G1009 PolarHBondContact O-N 3.45Å; D1007-G1009 PolarHBondContact OD1-N 3.26Å; D1007-A1010 WeakPolarHBondContact O-CB 3.47Å; D1007-A1010 PolarHBondContact O-N 3.16Å; D1007-A1010 VanDerWaalsContact O-N 3.11Å; D1007-A1010 WeakPolarHBondContact OD1-CA 3.48Å; D1007-A1010 WeakPolarHBondContact OD1-CB 3.17Å; D1007-A1010 PolarHBondContact OD1-N 3.47Å; D1007-R1013 IonicContact OD1-CZ 2.87Å; D1007-R1013 IonicContact OD1-NH2 2.62Å; D1007-R1013 PolarHBondContact OD1-NH2 3.05Å; D1007-R1013 IonicContact OD2-CZ 2.75Å; D1007-R1013 IonicContact OD2-NH2 2.9Å; D1007-R1013 PolarHBondContact OD2-NH2 3.46Å
1008S67.5Low77.5Confident139 Ų13986.9 Ų86.997%0.97244%0.435SS*.THydrogen-bonded Turntrans-62.3-13.9-174.760.10000114.5
1009G76.8Confident77.8Confident22 Ų2285.7 Ų85.723%0.22743%0.432CS..THydrogen-bonded Turntrans-1112.6178.900000114.4D1007 R1013D1007-G1009 PolarHBondContact O-N 3.45Å; D1007-G1009 PolarHBondContact OD1-N 3.26Å; G1009-R1013 WeakPolarHBondContact O-CG 3.39Å; G1009-R1013 PolarHBondContact O-N 2.96Å; G1009-R1013 PolarHBondContact O-NE 2.67Å
1010A74.7Confident78Confident11 Ų1188.4 Ų88.49%0.09144%0.444CS..Hα-helixtrans-66.7-42.1-175.500000111.8V297 D1007 A1014V297-A1010 HydrophobicContact CG1-CB 3.86Å; D1007-A1010 WeakPolarHBondContact O-CB 3.47Å; D1007-A1010 PolarHBondContact O-N 3.16Å; D1007-A1010 VanDerWaalsContact O-N 3.11Å; D1007-A1010 WeakPolarHBondContact OD1-CA 3.48Å; D1007-A1010 WeakPolarHBondContact OD1-CB 3.17Å; D1007-A1010 PolarHBondContact OD1-N 3.47Å; A1010-A1014 WeakPolarHBondContact O-CB 3.24Å; A1010-A1014 PolarHBondContact O-N 3.23Å
1011E79.2Confident78.5Confident74 Ų7481.3 Ų81.335%0.34641%0.41SS..Hα-helixtrans-65-44.7179.8-174.1178.9-177.900111.7L294 V297 Q298 L301 R1013 A1014 R1015L294-E1011 HydrophobicContact CD1-CG 4.11Å; V297-E1011 HydrophobicContact CG1-CB 4.27Å; Q298-E1011 HydrophobicContact CG-CG 4.29Å; Q298-E1011 PolarHBondContact NE2-OE1 3.37Å; L301-E1011 HydrophobicContact CD1-CB 4.05Å; E1011-R1013 PolarHBondContact O-N 3.45Å; E1011-A1014 PolarHBondContact O-N 3Å; E1011-R1015 VanDerWaalsContact O-CB 3.26Å; E1011-R1015 WeakPolarHBondContact O-CB 3.02Å; E1011-R1015 PolarHBondContact O-N 3.04Å
1012E77Confident79.1Confident136 Ų13678.9 Ų78.964%0.63640%0.395SS*.Hα-helixtrans-63.5-44.1-179.2-170.5171.6-165.700111.5R1015 I1016E1012-R1015 PolarHBondContact O-N 3.45Å; E1012-I1016 HydrophobicContact CG-CD1 4.04Å; E1012-I1016 VanDerWaalsContact O-CG1 3.31Å; E1012-I1016 WeakPolarHBondContact O-CG1 3.5Å; E1012-I1016 PolarHBondContact O-N 3.02Å
1013R81.2Confident79.3Confident149 Ų14979.3 Ų79.356%0.56240%0.403SS*.Hα-helixtrans-61.8-47.2175.6-73.1-177.2-69.5173.2-5.2112.5D1007 G1009 E1011 R1015 I1016 R1017D1007-R1013 IonicContact OD1-CZ 2.87Å; D1007-R1013 IonicContact OD1-NH2 2.62Å; D1007-R1013 PolarHBondContact OD1-NH2 3.05Å; D1007-R1013 IonicContact OD2-CZ 2.75Å; D1007-R1013 IonicContact OD2-NH2 2.9Å; D1007-R1013 PolarHBondContact OD2-NH2 3.46Å; G1009-R1013 WeakPolarHBondContact O-CG 3.39Å; G1009-R1013 PolarHBondContact O-N 2.96Å; G1009-R1013 PolarHBondContact O-NE 2.67Å; E1011-R1013 PolarHBondContact O-N 3.45Å; R1013-R1015 VanDerWaalsContact C-N 3.27Å; R1013-R1015 PolarHBondContact O-N 3.41Å; R1013-I1016 PolarHBondContact O-N 3.37Å; R1013-R1017 WeakPolarHBondContact O-CB 3.07Å; R1013-R1017 PolarHBondContact O-N 3.23Å
1014A82.2Confident80.1Confident10 Ų1080.8 Ų80.88%0.08339%0.392CS..Hα-helixtrans-62.3-37.1178.100000111.6L294 V297 A1010 E1011 R1018L294-A1014 HydrophobicContact CB-CB 4.24Å; L294-A1014 HydrophobicContact CD1-CB 3.81Å; V297-A1014 HydrophobicContact CG2-CB 4.37Å; A1010-A1014 WeakPolarHBondContact O-CB 3.24Å; A1010-A1014 PolarHBondContact O-N 3.23Å; E1011-A1014 PolarHBondContact O-N 3Å; A1014-R1018 WeakPolarHBondContact O-CB 3.26Å; A1014-R1018 PolarHBondContact O-N 2.97Å; A1014-R1018 VanDerWaalsContact O-N 3.1Å
1015R85Confident80.8Confident137 Ų13779.7 Ų79.752%0.51739%0.386SS..Hα-helixtrans-68.4-47.4177.6-169.7178.2-177.8173.22.7112.7L294 E1011 E1012 R1013 R1017 R1018 D1019L294-R1015 HydrophobicContact CD1-CB 4.29Å; E1011-R1015 VanDerWaalsContact O-CB 3.26Å; E1011-R1015 WeakPolarHBondContact O-CB 3.02Å; E1011-R1015 PolarHBondContact O-N 3.04Å; E1012-R1015 PolarHBondContact O-N 3.45Å; R1013-R1015 VanDerWaalsContact C-N 3.27Å; R1013-R1015 PolarHBondContact O-N 3.41Å; R1015-R1017 VanDerWaalsContact C-N 3.32Å; R1015-R1017 PolarHBondContact O-N 3.37Å; R1015-R1018 PolarHBondContact O-N 2.93Å; R1015-D1019 WeakPolarHBondContact O-CB 3.08Å; R1015-D1019 VanDerWaalsContact O-CG 3.28Å; R1015-D1019 PolarHBondContact O-N 3.14Å
1016I83.4Confident81.9Confident83 Ų8371.9 Ų71.943%0.42637%0.365SS..Hα-helixtrans-58-47.2176.1-69.5166.7000110E1012 R1013 R1018 D1019 E1020E1012-I1016 HydrophobicContact CG-CD1 4.04Å; E1012-I1016 VanDerWaalsContact O-CG1 3.31Å; E1012-I1016 WeakPolarHBondContact O-CG1 3.5Å; E1012-I1016 PolarHBondContact O-N 3.02Å; R1013-I1016 PolarHBondContact O-N 3.37Å; I1016-R1018 VanDerWaalsContact C-N 3.35Å; I1016-R1018 PolarHBondContact O-N 3.36Å; I1016-D1019 PolarHBondContact O-N 3.23Å; I1016-D1019 VanDerWaalsContact O-N 3.12Å; I1016-E1020 HydrophobicContact CG2-CG 4.3Å; I1016-E1020 WeakPolarHBondContact O-CG 3.43Å; I1016-E1020 PolarHBondContact O-N 2.68Å
1017R85.5Confident83.1Confident126 Ų12675.8 Ų75.848%0.47538%0.383SS..Hα-helixtrans-60.2-43.5179.9-178.157.9178.1176.33112.4R1013 R1015 L1021R1013-R1017 WeakPolarHBondContact O-CB 3.07Å; R1013-R1017 PolarHBondContact O-N 3.23Å; R1015-R1017 VanDerWaalsContact C-N 3.32Å; R1015-R1017 PolarHBondContact O-N 3.37Å; R1017-L1021 HydrophobicContact CG-CD1 4.25Å; R1017-L1021 WeakPolarHBondContact O-CG 3.38Å; R1017-L1021 PolarHBondContact O-N 3.34Å; R1017-L1021 VanDerWaalsContact O-N 3.15Å
1018R90.4Very high83.8Confident57 Ų5772.9 Ų72.922%0.21537%0.368CS..Hα-helixtrans-61-44.2174.5-179.2-149.364.5-174.7-4.3111.4Y287 A290 A1014 R1015 I1016 L1021 H1022Y287-R1018 HydrophobicContact CD2-CG 4.08Å; Y287-R1018 HydrophobicContact CE2-CG 3.62Å; A290-R1018 HydrophobicContact CB-CB 4.3Å; A1014-R1018 WeakPolarHBondContact O-CB 3.26Å; A1014-R1018 PolarHBondContact O-N 2.97Å; A1014-R1018 VanDerWaalsContact O-N 3.1Å; R1015-R1018 PolarHBondContact O-N 2.93Å; I1016-R1018 VanDerWaalsContact C-N 3.35Å; I1016-R1018 PolarHBondContact O-N 3.36Å; R1018-L1021 PolarHBondContact O-N 3.24Å; R1018-H1022 WeakPolarHBondContact O-CB 3.3Å; R1018-H1022 PolarHBondContact O-N 2.87Å
1019D87.6Confident84.9Confident69 Ų6970.9 Ų70.937%0.36934%0.339SS..Hα-helixtrans-69.2-38.8-176.5-71-16.8000112.5R1015 I1016 H1022 A1023R1015-D1019 WeakPolarHBondContact O-CB 3.08Å; R1015-D1019 VanDerWaalsContact O-CG 3.28Å; R1015-D1019 PolarHBondContact O-N 3.14Å; I1016-D1019 PolarHBondContact O-N 3.23Å; I1016-D1019 VanDerWaalsContact O-N 3.12Å; D1019-H1022 PolarHBondContact O-N 3.24Å; D1019-A1023 WeakPolarHBondContact O-CB 3.45Å; D1019-A1023 PolarHBondContact O-N 3.26Å
1020E85.6Confident85.3Confident95 Ų9572.2 Ų72.244%0.44435%0.345SS..Hα-helixtrans-59.3-47.8171.1-73.9175.8173.400111.5I1016 A1023 Q1024I1016-E1020 HydrophobicContact CG2-CG 4.3Å; I1016-E1020 WeakPolarHBondContact O-CG 3.43Å; I1016-E1020 PolarHBondContact O-N 2.68Å; E1020-A1023 PolarHBondContact O-N 3.34Å; E1020-Q1024 WeakPolarHBondContact O-CG 3.33Å; E1020-Q1024 PolarHBondContact O-N 3.19Å
1021L89Confident85.9Confident4 Ų476.4 Ų76.42%0.02136%0.358CS..Hα-helixtrans-65.6-38.9178.4-72.2169.4000111.8L283 D286 Y287 A290 R1017 R1018 Q1024 L1025L283-L1021 HydrophobicContact CD2-CD2 4.4Å; D286-L1021 HydrophobicContact CB-CD1 4.15Å; D286-L1021 HydrophobicContact CB-CD2 4.1Å; Y287-L1021 HydrophobicContact CD2-CB 4.42Å; A290-L1021 HydrophobicContact CB-CD1 3.74Å; R1017-L1021 HydrophobicContact CG-CD1 4.25Å; R1017-L1021 WeakPolarHBondContact O-CG 3.38Å; R1017-L1021 PolarHBondContact O-N 3.34Å; R1017-L1021 VanDerWaalsContact O-N 3.15Å; R1018-L1021 PolarHBondContact O-N 3.24Å; L1021-Q1024 PolarHBondContact O-N 2.87Å; L1021-L1025 VanDerWaalsContact O-CB 3.31Å; L1021-L1025 WeakPolarHBondContact O-CB 3.43Å; L1021-L1025 PolarHBondContact O-N 3.01Å
1022H88.1Confident86.4Confident94 Ų9475.2 Ų75.244%0.43535%0.35SS..Hα-helixtrans-62.4-43.4173.8-177.4-92.1000112Y287 R1018 D1019 L1025 S1026Y287-H1022 HydrophobicContact CD2-CB 3.93Å; Y287-H1022 HydrophobicContact CE2-CB 3.66Å; Y287-H1022 AromaticContact CE2-CD2 3.91Å; Y287-H1022 AromaticContact CZ-CD2 3.99Å; R1018-H1022 WeakPolarHBondContact O-CB 3.3Å; R1018-H1022 PolarHBondContact O-N 2.87Å; D1019-H1022 PolarHBondContact O-N 3.24Å; H1022-L1025 PolarHBondContact O-N 3.07Å; H1022-S1026 VanDerWaalsContact O-CB 3.25Å; H1022-S1026 WeakPolarHBondContact O-CB 3.34Å; H1022-S1026 PolarHBondContact O-N 3.19Å
1023A85.9Confident86.9Confident45 Ų4572 Ų7237%0.37234%0.338SS..Hα-helixtrans-63.7-42.8177.400000111.3D1019 E1020 S1026 N1027D1019-A1023 WeakPolarHBondContact O-CB 3.45Å; D1019-A1023 PolarHBondContact O-N 3.26Å; E1020-A1023 PolarHBondContact O-N 3.34Å; A1023-S1026 PolarHBondContact O-N 3.26Å; A1023-N1027 VanDerWaalsContact O-CB 3.31Å; A1023-N1027 WeakPolarHBondContact O-CB 3.33Å; A1023-N1027 PolarHBondContact O-N 2.84Å; A1023-N1027 PolarHBondContact O-ND2 3Å
1024Q87.6Confident87.3Confident97 Ų9770.2 Ų70.245%0.45334%0.336SS..Hα-helixtrans-62.3-46.3174.8-71.3176.214.100111.9L283 E1020 L1021 N1027 N1028L283-Q1024 HydrophobicContact CD2-CB 3.97Å; E1020-Q1024 WeakPolarHBondContact O-CG 3.33Å; E1020-Q1024 PolarHBondContact O-N 3.19Å; L1021-Q1024 PolarHBondContact O-N 2.87Å; Q1024-N1027 PolarHBondContact O-N 3.2Å; Q1024-N1028 WeakPolarHBondContact O-CB 3.35Å; Q1024-N1028 PolarHBondContact O-N 3.43Å
1025L88.7Confident87.7Confident5 Ų570 Ų703%0.02633%0.333CS..Hα-helixtrans-62.1-44.9176.7179.963.2000111.8E280 L283 E284 Y287 L1021 H1022 N1028 R1029E280-L1025 HydrophobicContact CG-CD1 3.95Å; L283-L1025 HydrophobicContact CB-CB 4.43Å; L283-L1025 HydrophobicContact CB-CD1 3.97Å; E284-L1025 HydrophobicContact CG-CD1 3.66Å; E284-L1025 HydrophobicContact CG-CD2 3.94Å; E284-L1025 HydrophobicContact CG-CG 4.46Å; Y287-L1025 HydrophobicContact CD1-CD2 4.47Å; L1021-L1025 VanDerWaalsContact O-CB 3.31Å; L1021-L1025 WeakPolarHBondContact O-CB 3.43Å; L1021-L1025 PolarHBondContact O-N 3.01Å; H1022-L1025 PolarHBondContact O-N 3.07Å; L1025-N1028 PolarHBondContact O-N 3.35Å; L1025-R1029 WeakPolarHBondContact O-CB 3.47Å; L1025-R1029 WeakPolarHBondContact O-CG 3.36Å; L1025-R1029 PolarHBondContact O-N 3Å
1026S88.1Confident87.9Confident60 Ų6066.8 Ų66.842%0.4232%0.324SS..Hα-helixtrans-62.1-43.7176.4179.80000111.6H1022 A1023 R1029 S1030H1022-S1026 VanDerWaalsContact O-CB 3.25Å; H1022-S1026 WeakPolarHBondContact O-CB 3.34Å; H1022-S1026 PolarHBondContact O-N 3.19Å; A1023-S1026 PolarHBondContact O-N 3.26Å; S1026-R1029 PolarHBondContact O-N 3.41Å; S1026-S1030 WeakPolarHBondContact O-CB 3.42Å; S1026-S1030 PolarHBondContact O-N 2.63Å
1027N87.8Confident88.2Confident104 Ų10470 Ų7056%0.55634%0.335SS*.Hα-helixtrans-64-44.7176.5-74-19000111.2A1023 Q1024 S1030 R1031A1023-N1027 VanDerWaalsContact O-CB 3.31Å; A1023-N1027 WeakPolarHBondContact O-CB 3.33Å; A1023-N1027 PolarHBondContact O-N 2.84Å; A1023-N1027 PolarHBondContact O-ND2 3Å; Q1024-N1027 PolarHBondContact O-N 3.2Å; N1027-S1030 PolarHBondContact O-N 2.83Å; N1027-S1030 PolarHBondContact O-OG 3.15Å; N1027-R1031 WeakPolarHBondContact O-CB 3.46Å; N1027-R1031 PolarHBondContact O-N 2.99Å
1028N88.9Confident88.4Confident14 Ų1465.8 Ų65.88%0.07533%0.327CS..Hα-helixtrans-58.7-50.8175.8-174.3-55.1000110.9H276 L283 Q1024 L1025 S1030 R1031 R1032H276-N1028 PolarHBondContact ND1-ND2 3Å; H276-N1028 PolarHBondContact O-ND2 3.37Å; H276-N1028 PolarHBondContact O-OD1 3.38Å; L283-N1028 HydrophobicContact CD1-CB 3.97Å; Q1024-N1028 WeakPolarHBondContact O-CB 3.35Å; Q1024-N1028 PolarHBondContact O-N 3.43Å; L1025-N1028 PolarHBondContact O-N 3.35Å; N1028-S1030 VanDerWaalsContact C-N 3.32Å; N1028-S1030 PolarHBondContact O-N 2.82Å; N1028-R1031 PolarHBondContact O-N 3.4Å; N1028-R1031 VanDerWaalsContact O-N 3.12Å; N1028-R1032 WeakPolarHBondContact O-CB 3.41Å; N1028-R1032 PolarHBondContact O-N 3.11Å
1029R89.2Confident88.3Confident97 Ų9763.7 Ų63.737%0.36632%0.32SS..Hα-helixtrans-58.3-40.7175.3-77.4175.1172.61740.8113.2E280 E284 L1025 S1026 R1031 N1033E280-R1029 HydrophobicContact CG-CG 4.47Å; E280-R1029 WeakPolarHBondContact OE1-CG 3.39Å; E280-R1029 IonicContact OE1-CZ 3.45Å; E280-R1029 IonicContact OE1-NE 3.86Å; E280-R1029 PolarHBondContact OE1-NE 2.86Å; E280-R1029 IonicContact OE1-NH2 2.66Å; E284-R1029 IonicContact OE1-CZ 3.8Å; E284-R1029 IonicContact OE1-NE 3.75Å; E284-R1029 IonicContact OE1-NH2 3.61Å; E284-R1029 PolarHBondContact OE1-NH2 2.94Å; L1025-R1029 WeakPolarHBondContact O-CB 3.47Å; L1025-R1029 WeakPolarHBondContact O-CG 3.36Å; L1025-R1029 PolarHBondContact O-N 3Å; S1026-R1029 PolarHBondContact O-N 3.41Å; R1029-R1031 VanDerWaalsContact C-N 3.35Å; R1029-N1033 WeakPolarHBondContact O-CB 3.39Å; R1029-N1033 VanDerWaalsContact O-CG 3.22Å; R1029-N1033 PolarHBondContact O-N 2.77Å; R1029-N1033 PolarHBondContact O-ND2 3.2Å
1030S87.1Confident88.4Confident50 Ų5064.4 Ų64.435%0.3533%0.327SS..Hα-helixtrans-64.6-41.2177.380.60000111.6S1026 N1027 N1028 N1033 Q1034S1026-S1030 WeakPolarHBondContact O-CB 3.42Å; S1026-S1030 PolarHBondContact O-N 2.63Å; N1027-S1030 PolarHBondContact O-N 2.83Å; N1027-S1030 PolarHBondContact O-OG 3.15Å; N1028-S1030 VanDerWaalsContact C-N 3.32Å; N1028-S1030 PolarHBondContact O-N 2.82Å; S1030-N1033 PolarHBondContact O-N 2.8Å; S1030-Q1034 VanDerWaalsContact O-CG 3.31Å; S1030-Q1034 WeakPolarHBondContact O-CG 3.47Å; S1030-Q1034 PolarHBondContact O-N 3.22Å
1031R87.1Confident88.5Confident98 Ų9866 Ų6637%0.3733%0.332SS..Hα-helixtrans-69.3-42.5178.2-176.659.2179.91783.5111.1E272 H276 N1027 N1028 R1029 N1033 Q1034 L1035E272-R1031 IonicContact OE2-CZ 3.98Å; E272-R1031 IonicContact OE2-NH2 3.72Å; E272-R1031 PolarHBondContact OE2-NH2 3.48Å; H276-R1031 WeakPolarHBondContact NE2-CG 3.36Å; N1027-R1031 WeakPolarHBondContact O-CB 3.46Å; N1027-R1031 PolarHBondContact O-N 2.99Å; N1028-R1031 PolarHBondContact O-N 3.4Å; N1028-R1031 VanDerWaalsContact O-N 3.12Å; R1029-R1031 VanDerWaalsContact C-N 3.35Å; R1031-N1033 PolarHBondContact O-N 2.9Å; R1031-Q1034 WeakPolarHBondContact O-CB 3.43Å; R1031-Q1034 PolarHBondContact O-N 3.32Å; R1031-L1035 HydrophobicContact CG-CD1 4.12Å; R1031-L1035 WeakPolarHBondContact O-CB 3.28Å; R1031-L1035 WeakPolarHBondContact O-CG 3.37Å; R1031-L1035 PolarHBondContact O-N 3.02Å
1032R89.2Confident88.5Confident49 Ų4966 Ų6619%0.18533%0.332CS..Hα-helixtrans-53.9-53.1171.1-173.6-178.761.873.3-2.6111.1L273 N277 E280 N1028 Q1034 L1035 E1036L273-R1032 HydrophobicContact CD1-CB 4.38Å; L273-R1032 HydrophobicContact CD1-CG 3.57Å; N277-R1032 WeakPolarHBondContact OD1-CD 3.32Å; E280-R1032 WeakPolarHBondContact OE2-CD 3.43Å; E280-R1032 IonicContact OE2-CZ 2.81Å; E280-R1032 IonicContact OE2-NE 3.99Å; E280-R1032 PolarHBondContact OE2-NE 2.89Å; N1028-R1032 WeakPolarHBondContact O-CB 3.41Å; N1028-R1032 PolarHBondContact O-N 3.11Å; R1032-Q1034 VanDerWaalsContact C-N 3.29Å; R1032-Q1034 PolarHBondContact O-N 2.83Å; R1032-L1035 PolarHBondContact O-N 3.02Å; R1032-L1035 VanDerWaalsContact O-N 3.15Å; R1032-E1036 IonicContact CZ-OE1 2.83Å; R1032-E1036 IonicContact NH1-OE1 3.33Å; R1032-E1036 PolarHBondContact NH1-OE1 2.97Å; R1032-E1036 IonicContact NH1-OE2 3.68Å; R1032-E1036 PolarHBondContact NH1-OE2 3.11Å; R1032-E1036 VanDerWaalsContact NH1-OE2 3.12Å; R1032-E1036 WeakPolarHBondContact O-CG 3.41Å; R1032-E1036 PolarHBondContact O-N 2.92Å
1033N88.2Confident88.6Confident69 Ų6965.8 Ų65.837%0.36933%0.332SS..Hα-helixtrans-61.6-34.3178.9-72.8-29.2000113R1029 S1030 R1031 K1037R1029-N1033 WeakPolarHBondContact O-CB 3.39Å; R1029-N1033 VanDerWaalsContact O-CG 3.22Å; R1029-N1033 PolarHBondContact O-N 2.77Å; R1029-N1033 PolarHBondContact O-ND2 3.2Å; S1030-N1033 PolarHBondContact O-N 2.8Å; R1031-N1033 PolarHBondContact O-N 2.9Å; N1033-K1037 VanDerWaalsContact O-CG 3.29Å; N1033-K1037 WeakPolarHBondContact O-CG 3.46Å; N1033-K1037 PolarHBondContact O-N 3.09Å
1034Q88.9Confident88.8Confident112 Ų11265.8 Ų65.852%0.52333%0.332SS..Hα-helixtrans-68.8-44.8174.2-74.7172.88.900111.6S1030 R1031 R1032 K1037 A1038S1030-Q1034 VanDerWaalsContact O-CG 3.31Å; S1030-Q1034 WeakPolarHBondContact O-CG 3.47Å; S1030-Q1034 PolarHBondContact O-N 3.22Å; R1031-Q1034 WeakPolarHBondContact O-CB 3.43Å; R1031-Q1034 PolarHBondContact O-N 3.32Å; R1032-Q1034 VanDerWaalsContact C-N 3.29Å; R1032-Q1034 PolarHBondContact O-N 2.83Å; Q1034-K1037 PolarHBondContact O-N 2.94Å; Q1034-A1038 WeakPolarHBondContact O-CB 3.06Å; Q1034-A1038 PolarHBondContact O-N 3.29Å
1035L89.9Confident88.9Confident5 Ų564.6 Ų64.63%0.02633%0.326CS..Hα-helixtrans-64.4-40.8177.7-73.9169.8000111.7M269 E272 L273 R1031 R1032 K1037 A1038 L1039M269-L1035 HydrophobicContact CB-CD2 4.25Å; M269-L1035 HydrophobicContact CG-CD2 4.21Å; E272-L1035 HydrophobicContact CB-CD1 3.86Å; E272-L1035 HydrophobicContact CB-CD2 4.38Å; L273-L1035 HydrophobicContact CB-CB 4.43Å; L273-L1035 HydrophobicContact CD1-CB 3.9Å; R1031-L1035 HydrophobicContact CG-CD1 4.12Å; R1031-L1035 WeakPolarHBondContact O-CB 3.28Å; R1031-L1035 WeakPolarHBondContact O-CG 3.37Å; R1031-L1035 PolarHBondContact O-N 3.02Å; R1032-L1035 PolarHBondContact O-N 3.02Å; R1032-L1035 VanDerWaalsContact O-N 3.15Å; L1035-K1037 PolarHBondContact O-N 3.48Å; L1035-A1038 PolarHBondContact O-N 3.07Å; L1035-L1039 WeakPolarHBondContact O-CB 3.47Å; L1035-L1039 WeakPolarHBondContact O-CG 3.42Å; L1035-L1039 PolarHBondContact O-N 3.2Å
1036E90.4Very high89Confident69 Ų6965.9 Ų65.932%0.32233%0.333SS..Hα-helixtrans-60.3-45.6173.9-74.8175.7178.200111.8L273 R1032 A1038 L1039 T1040L273-E1036 HydrophobicContact CD1-CG 3.76Å; L273-E1036 HydrophobicContact CD2-CG 4.08Å; R1032-E1036 IonicContact CZ-OE1 2.83Å; R1032-E1036 IonicContact NH1-OE1 3.33Å; R1032-E1036 PolarHBondContact NH1-OE1 2.97Å; R1032-E1036 IonicContact NH1-OE2 3.68Å; R1032-E1036 PolarHBondContact NH1-OE2 3.11Å; R1032-E1036 VanDerWaalsContact NH1-OE2 3.12Å; R1032-E1036 WeakPolarHBondContact O-CG 3.41Å; R1032-E1036 PolarHBondContact O-N 2.92Å; E1036-A1038 PolarHBondContact O-N 3.44Å; E1036-L1039 PolarHBondContact O-N 3.1Å; E1036-T1040 WeakPolarHBondContact O-CG2 3.29Å; E1036-T1040 PolarHBondContact O-N 3.44Å; E1036-T1040 PolarHBondContact O-OG1 3.11Å
1037K88.9Confident89.2Confident152 Ų15267.7 Ų67.766%0.66134%0.337SS*.Hα-helixtrans-62.8-43.3175.4-73.2174.6-175.9179.40111.8N1033 Q1034 L1035 T1040 F1041N1033-K1037 VanDerWaalsContact O-CG 3.29Å; N1033-K1037 WeakPolarHBondContact O-CG 3.46Å; N1033-K1037 PolarHBondContact O-N 3.09Å; Q1034-K1037 PolarHBondContact O-N 2.94Å; L1035-K1037 PolarHBondContact O-N 3.48Å; K1037-T1040 PolarHBondContact O-N 3.25Å; K1037-T1040 PolarHBondContact O-OG1 2.81Å; K1037-F1041 PolarHBondContact O-N 3.13Å
1038A88.8Confident89.3Confident37 Ų3766.8 Ų66.831%0.30633%0.333SS..Hα-helixtrans-65.2-40.117800000111.9M269 Q1034 L1035 E1036 F1041 C1042M269-A1038 HydrophobicContact SD-CB 3.66Å; Q1034-A1038 WeakPolarHBondContact O-CB 3.06Å; Q1034-A1038 PolarHBondContact O-N 3.29Å; L1035-A1038 PolarHBondContact O-N 3.07Å; E1036-A1038 PolarHBondContact O-N 3.44Å; A1038-F1041 PolarHBondContact O-N 3.41Å; A1038-C1042 VanDerWaalsContact O-CB 3.27Å; A1038-C1042 WeakPolarHBondContact O-CB 3.4Å; A1038-C1042 PolarHBondContact O-N 3.46Å
1039L89.4Confident89.4Confident12 Ų1267.2 Ų67.26%0.06334%0.335CS..Hα-helixtrans-63.3-48175-81.4163.2000111.7H266 M269 A270 L273 L1035 E1036 F1041 C1042 E1043H266-L1039 WeakPolarHBondContact O-CD2 3.48Å; M269-L1039 HydrophobicContact CB-CD1 4.45Å; M269-L1039 HydrophobicContact CB-CD2 3.83Å; M269-L1039 HydrophobicContact CB-CG 3.94Å; M269-L1039 HydrophobicContact CE-CD2 4.41Å; A270-L1039 HydrophobicContact CB-CD2 4.14Å; L273-L1039 HydrophobicContact CB-CD1 4.12Å; L273-L1039 HydrophobicContact CD2-CD1 3.63Å; L273-L1039 HydrophobicContact CG-CD1 4.4Å; L1035-L1039 WeakPolarHBondContact O-CB 3.47Å; L1035-L1039 WeakPolarHBondContact O-CG 3.42Å; L1035-L1039 PolarHBondContact O-N 3.2Å; E1036-L1039 PolarHBondContact O-N 3.1Å; L1039-F1041 VanDerWaalsContact C-N 3.28Å; L1039-F1041 PolarHBondContact O-N 2.85Å; L1039-C1042 WeakPolarHBondContact O-CB 3.48Å; L1039-C1042 PolarHBondContact O-N 3.44Å; L1039-C1042 VanDerWaalsContact O-N 3.17Å; L1039-E1043 WeakPolarHBondContact O-CB 3.27Å; L1039-E1043 VanDerWaalsContact O-CG 3.31Å; L1039-E1043 WeakPolarHBondContact O-CG 3.08Å; L1039-E1043 PolarHBondContact O-N 3.29Å
1040T89.4Confident89.6Confident84 Ų8464.7 Ų64.752%0.51533%0.33SS..Hα-helixtrans-61-37.1176.956.90000112.6E1036 K1037 A1044E1036-T1040 WeakPolarHBondContact O-CG2 3.29Å; E1036-T1040 PolarHBondContact O-N 3.44Å; E1036-T1040 PolarHBondContact O-OG1 3.11Å; K1037-T1040 PolarHBondContact O-N 3.25Å; K1037-T1040 PolarHBondContact O-OG1 2.81Å; T1040-A1044 WeakPolarHBondContact O-CB 3.3Å; T1040-A1044 PolarHBondContact O-N 3.22Å; T1040-A1044 VanDerWaalsContact O-N 3.08Å
1041F87.7Confident89.8Confident129 Ų12969.7 Ų69.757%0.56634%0.341SS*.Hα-helixtrans-66.2-47.1173.7-179.4-94.4000111.6K1037 A1038 L1039 E1043 A1044 E1045K1037-F1041 PolarHBondContact O-N 3.13Å; A1038-F1041 PolarHBondContact O-N 3.41Å; L1039-F1041 VanDerWaalsContact C-N 3.28Å; L1039-F1041 PolarHBondContact O-N 2.85Å; F1041-E1043 VanDerWaalsContact C-N 3.33Å; F1041-E1043 PolarHBondContact O-N 3.18Å; F1041-A1044 PolarHBondContact O-N 2.9Å; F1041-E1045 HydrophobicContact CD1-CG 4.25Å; F1041-E1045 HydrophobicContact CE1-CG 3.74Å; F1041-E1045 WeakPolarHBondContact CE1-OE1 3.43Å; F1041-E1045 HydrophobicContact CZ-CG 3.9Å; F1041-E1045 VanDerWaalsContact CZ-OE1 3.22Å; F1041-E1045 WeakPolarHBondContact CZ-OE1 3.38Å; F1041-E1045 PolarHBondContact O-N 3.18Å
1042C89.2Confident90Very high3 Ų369.9 Ų69.92%0.0235%0.345CS..Hα-helixtrans-59.8-42.2177.2-167.20000111.6E262 M269 A1038 L1039 E1045 M1046E262-C1042 PolarHBondContact O-SG 3.41Å; E262-C1042 VanDerWaalsContact O-SG 3.33Å; M269-C1042 HydrophobicContact CE-CB 3.77Å; A1038-C1042 VanDerWaalsContact O-CB 3.27Å; A1038-C1042 WeakPolarHBondContact O-CB 3.4Å; A1038-C1042 PolarHBondContact O-N 3.46Å; L1039-C1042 WeakPolarHBondContact O-CB 3.48Å; L1039-C1042 PolarHBondContact O-N 3.44Å; L1039-C1042 VanDerWaalsContact O-N 3.17Å; C1042-E1045 PolarHBondContact O-N 3.02Å; C1042-M1046 WeakPolarHBondContact O-CB 3.49Å; C1042-M1046 WeakPolarHBondContact O-CG 3.39Å; C1042-M1046 PolarHBondContact O-N 3.31Å
1043E90.1Very high90.2Very high90 Ų9068.1 Ų68.142%0.42134%0.339SS..Hα-helixtrans-61.1-44.8174.5-74.8173.1178.700111.7H266 L1039 F1041 E1045 M1046 D1047H266-E1043 IonicContact CD2-OE1 3.15Å; H266-E1043 IonicContact CE1-OE1 3.89Å; H266-E1043 VanDerWaalsContact NE2-CG 3.32Å; H266-E1043 WeakPolarHBondContact NE2-CG 3.09Å; H266-E1043 IonicContact NE2-OE1 2.7Å; H266-E1043 PolarHBondContact NE2-OE1 3.45Å; L1039-E1043 WeakPolarHBondContact O-CB 3.27Å; L1039-E1043 VanDerWaalsContact O-CG 3.31Å; L1039-E1043 WeakPolarHBondContact O-CG 3.08Å; L1039-E1043 PolarHBondContact O-N 3.29Å; F1041-E1043 VanDerWaalsContact C-N 3.33Å; F1041-E1043 PolarHBondContact O-N 3.18Å; E1043-E1045 PolarHBondContact O-N 3.44Å; E1043-M1046 PolarHBondContact O-N 2.98Å; E1043-D1047 WeakPolarHBondContact O-CB 3.32Å; E1043-D1047 PolarHBondContact O-N 2.92Å
1044A90.4Very high90.4Very high45 Ų4572.3 Ų72.337%0.37235%0.35SS..Hα-helixtrans-63.7-40.3176.600000112.4T1040 F1041 D1047 N1048T1040-A1044 WeakPolarHBondContact O-CB 3.3Å; T1040-A1044 PolarHBondContact O-N 3.22Å; T1040-A1044 VanDerWaalsContact O-N 3.08Å; F1041-A1044 PolarHBondContact O-N 2.9Å; A1044-D1047 PolarHBondContact O-N 3.17Å; A1044-N1048 WeakPolarHBondContact O-CB 3.35Å; A1044-N1048 PolarHBondContact O-N 2.97Å; A1044-N1048 PolarHBondContact O-ND2 2.97Å
1045E89.7Confident90.6Very high72 Ų7273.4 Ų73.434%0.33635%0.353SS..Hα-helixtrans-66-44174.1-73.3-154.614800112F1041 C1042 E1043 D1047 N1048 L1049F1041-E1045 HydrophobicContact CD1-CG 4.25Å; F1041-E1045 HydrophobicContact CE1-CG 3.74Å; F1041-E1045 WeakPolarHBondContact CE1-OE1 3.43Å; F1041-E1045 HydrophobicContact CZ-CG 3.9Å; F1041-E1045 VanDerWaalsContact CZ-OE1 3.22Å; F1041-E1045 WeakPolarHBondContact CZ-OE1 3.38Å; F1041-E1045 PolarHBondContact O-N 3.18Å; C1042-E1045 PolarHBondContact O-N 3.02Å; E1043-E1045 PolarHBondContact O-N 3.44Å; E1045-D1047 VanDerWaalsContact C-N 3.33Å; E1045-D1047 PolarHBondContact O-N 3.44Å; E1045-N1048 PolarHBondContact O-N 3.34Å; E1045-L1049 WeakPolarHBondContact O-CB 3.42Å; E1045-L1049 WeakPolarHBondContact O-CG 3.17Å; E1045-L1049 PolarHBondContact O-N 2.93Å
1046M90.7Very high90.7Very high33 Ų3373.8 Ų73.816%0.16336%0.355CS..Hα-helixtrans-58.7-43.7174-74172.654.400111.5L259 E262 Q263 H266 C1042 E1043 L1049 T1050L259-M1046 HydrophobicContact CD1-CB 4.1Å; L259-M1046 HydrophobicContact CD1-CG 4.14Å; E262-M1046 HydrophobicContact CB-CG 3.79Å; Q263-M1046 HydrophobicContact CG-CE 3.59Å; Q263-M1046 HydrophobicContact CG-SD 4.33Å; H266-M1046 HydrophobicContact CB-SD 3.83Å; C1042-M1046 WeakPolarHBondContact O-CB 3.49Å; C1042-M1046 WeakPolarHBondContact O-CG 3.39Å; C1042-M1046 PolarHBondContact O-N 3.31Å; E1043-M1046 PolarHBondContact O-N 2.98Å; M1046-L1049 PolarHBondContact O-N 2.99Å; M1046-T1050 VanDerWaalsContact O-CB 3.29Å; M1046-T1050 WeakPolarHBondContact O-CB 3.41Å; M1046-T1050 PolarHBondContact O-N 3.5Å; M1046-T1050 PolarHBondContact O-OG1 3.43Å
1047D91.4Very high90.9Very high97 Ų9773.4 Ų73.452%0.51935%0.353SS..Hα-helixtrans-64.9-39176.3-84.9-15.4000112.5E1043 A1044 E1045 R1051E1043-D1047 WeakPolarHBondContact O-CB 3.32Å; E1043-D1047 PolarHBondContact O-N 2.92Å; A1044-D1047 PolarHBondContact O-N 3.17Å; E1045-D1047 VanDerWaalsContact C-N 3.33Å; E1045-D1047 PolarHBondContact O-N 3.44Å; D1047-R1051 WeakPolarHBondContact O-CB 3.44Å; D1047-R1051 WeakPolarHBondContact O-CG 3.48Å; D1047-R1051 PolarHBondContact O-N 3.46Å; D1047-R1051 PolarHBondContact O-NE 2.99Å
1048N90.6Very high91.1Very high86 Ų8674.2 Ų74.246%0.4635%0.352SS..Hα-helixtrans-65.6-46.4174.7-75.6-28.5000111.3A1044 E1045 T1050 R1051 K1052A1044-N1048 WeakPolarHBondContact O-CB 3.35Å; A1044-N1048 PolarHBondContact O-N 2.97Å; A1044-N1048 PolarHBondContact O-ND2 2.97Å; E1045-N1048 PolarHBondContact O-N 3.34Å; N1048-T1050 VanDerWaalsContact C-N 3.34Å; N1048-T1050 PolarHBondContact O-N 2.85Å; N1048-R1051 PolarHBondContact O-N 3.09Å; N1048-R1051 PolarHBondContact OD1-NH2 3.45Å; N1048-K1052 WeakPolarHBondContact O-CB 3.41Å; N1048-K1052 PolarHBondContact O-N 3.01Å
1049L91.2Very high91.3Very high22 Ų2274.6 Ų74.612%0.11535%0.349CS..Hα-helixtrans-62.4-40.8175.9-74.8170.8000111.3Q258 L259 E262 E1045 M1046 K1052 L1053Q258-L1049 HydrophobicContact CB-CD1 4.14Å; Q258-L1049 HydrophobicContact CB-CD2 4.26Å; L259-L1049 HydrophobicContact CB-CB 4.48Å; L259-L1049 HydrophobicContact CB-CD1 4.48Å; L259-L1049 HydrophobicContact CD1-CB 4.14Å; E262-L1049 HydrophobicContact CG-CD1 4.18Å; E1045-L1049 WeakPolarHBondContact O-CB 3.42Å; E1045-L1049 WeakPolarHBondContact O-CG 3.17Å; E1045-L1049 PolarHBondContact O-N 2.93Å; M1046-L1049 PolarHBondContact O-N 2.99Å; L1049-K1052 PolarHBondContact O-N 2.96Å; L1049-L1053 VanDerWaalsContact O-CB 3.32Å; L1049-L1053 WeakPolarHBondContact O-CB 3.25Å; L1049-L1053 VanDerWaalsContact O-CG 3.31Å; L1049-L1053 WeakPolarHBondContact O-CG 3.41Å; L1049-L1053 PolarHBondContact O-N 2.94Å
1050T92.3Very high91.6Very high45 Ų4576.1 Ų76.128%0.27635%0.354SS..Hα-helixtrans-65-42.2177.5-550000111.3M1046 N1048 L1053 R1054M1046-T1050 VanDerWaalsContact O-CB 3.29Å; M1046-T1050 WeakPolarHBondContact O-CB 3.41Å; M1046-T1050 PolarHBondContact O-N 3.5Å; M1046-T1050 PolarHBondContact O-OG1 3.43Å; N1048-T1050 VanDerWaalsContact C-N 3.34Å; N1048-T1050 PolarHBondContact O-N 2.85Å; T1050-L1053 PolarHBondContact O-N 3.3Å; T1050-R1054 WeakPolarHBondContact O-CG 3.2Å; T1050-R1054 PolarHBondContact O-N 2.82Å
1051R92.1Very high91.7Very high154 Ų15477.6 Ų77.658%0.58135%0.354SS*.Hα-helixtrans-63.7-44.3173.1-78.4-178.6-84.3165.3-8.5112D1047 N1048 R1054 K1055D1047-R1051 WeakPolarHBondContact O-CB 3.44Å; D1047-R1051 WeakPolarHBondContact O-CG 3.48Å; D1047-R1051 PolarHBondContact O-N 3.46Å; D1047-R1051 PolarHBondContact O-NE 2.99Å; N1048-R1051 PolarHBondContact O-N 3.09Å; N1048-R1051 PolarHBondContact OD1-NH2 3.45Å; R1051-R1054 PolarHBondContact O-N 3.3Å; R1051-K1055 PolarHBondContact O-N 2.82Å
1052K91.6Very high91.9Very high102 Ų10277 Ų7744%0.44335%0.352SS..Hα-helixtrans-61.1-44.3176.3-172.1-176.4179.3-171.40111.3N1048 L1049 K1055 L1056N1048-K1052 WeakPolarHBondContact O-CB 3.41Å; N1048-K1052 PolarHBondContact O-N 3.01Å; L1049-K1052 PolarHBondContact O-N 2.96Å; K1052-K1055 PolarHBondContact O-N 2.94Å; K1052-L1056 HydrophobicContact CD-CD1 4.48Å; K1052-L1056 HydrophobicContact CG-CD1 4.01Å; K1052-L1056 HydrophobicContact CG-CG 4.38Å; K1052-L1056 WeakPolarHBondContact O-CG 3.29Å; K1052-L1056 PolarHBondContact O-N 2.84Å
1053L92.5Very high92.1Very high12 Ų1277.7 Ų77.76%0.06336%0.355CS..Hα-helixtrans-60.9-45176.9-81.7169000112.3L252 R256 L259 L1049 T1050 K1055 L1056 E1057L252-L1053 HydrophobicContact CG-CD2 4.41Å; R256-L1053 HydrophobicContact CG-CD1 4.21Å; R256-L1053 HydrophobicContact CG-CD2 3.65Å; L259-L1053 HydrophobicContact CB-CD1 4.13Å; L259-L1053 HydrophobicContact CD2-CD1 3.6Å; L259-L1053 HydrophobicContact CG-CD1 4.47Å; L1049-L1053 VanDerWaalsContact O-CB 3.32Å; L1049-L1053 WeakPolarHBondContact O-CB 3.25Å; L1049-L1053 VanDerWaalsContact O-CG 3.31Å; L1049-L1053 WeakPolarHBondContact O-CG 3.41Å; L1049-L1053 PolarHBondContact O-N 2.94Å; T1050-L1053 PolarHBondContact O-N 3.3Å; L1053-K1055 VanDerWaalsContact C-N 3.26Å; L1053-K1055 PolarHBondContact O-N 3.35Å; L1053-L1056 PolarHBondContact O-N 2.97Å; L1053-E1057 VanDerWaalsContact O-CB 3.31Å; L1053-E1057 WeakPolarHBondContact O-CB 3.44Å; L1053-E1057 WeakPolarHBondContact O-CG 3.38Å; L1053-E1057 PolarHBondContact O-N 3.19Å
1054R92.7Very high92.1Very high157 Ų15779.6 Ų79.659%0.59236%0.359SS*.Hα-helixtrans-60-37175.7-73.4178.5-177.1178.23.5112.5T1050 R1051 R1058T1050-R1054 WeakPolarHBondContact O-CG 3.2Å; T1050-R1054 PolarHBondContact O-N 2.82Å; R1051-R1054 PolarHBondContact O-N 3.3Å; R1054-R1058 VanDerWaalsContact O-CG 3.31Å; R1054-R1058 WeakPolarHBondContact O-CG 3.44Å; R1054-R1058 PolarHBondContact O-N 3.19Å
1055K93.1Very high92.1Very high136 Ų13684 Ų8459%0.59137%0.372SS*.Hα-helixtrans-69.7-52.5175.7-175-176.7174-173.70111.2R1051 K1052 L1053 E1057 R1058 D1059R1051-K1055 PolarHBondContact O-N 2.82Å; K1052-K1055 PolarHBondContact O-N 2.94Å; L1053-K1055 VanDerWaalsContact C-N 3.26Å; L1053-K1055 PolarHBondContact O-N 3.35Å; K1055-E1057 VanDerWaalsContact C-N 3.26Å; K1055-E1057 PolarHBondContact O-N 2.68Å; K1055-R1058 PolarHBondContact O-N 3.41Å; K1055-R1058 VanDerWaalsContact O-N 3.1Å; K1055-D1059 VanDerWaalsContact O-CG 3.3Å; K1055-D1059 PolarHBondContact O-N 2.68Å
1056L93.2Very high92Very high12 Ų1285 Ų856%0.06338%0.376CS..Hα-helixtrans-58.7-36.7178.6-73.2174.6000112.6F248 E251 K1052 L1053 Y1060F248-L1056 HydrophobicContact CD1-CD2 4.18Å; E251-L1056 HydrophobicContact CB-CD1 4.08Å; E251-L1056 HydrophobicContact CB-CD2 4.35Å; E251-L1056 VanDerWaalsContact OE2-CD2 3.27Å; E251-L1056 WeakPolarHBondContact OE2-CD2 3.48Å; K1052-L1056 HydrophobicContact CD-CD1 4.48Å; K1052-L1056 HydrophobicContact CG-CD1 4.01Å; K1052-L1056 HydrophobicContact CG-CG 4.38Å; K1052-L1056 WeakPolarHBondContact O-CG 3.29Å; K1052-L1056 PolarHBondContact O-N 2.84Å; L1053-L1056 PolarHBondContact O-N 2.97Å; L1056-Y1060 WeakPolarHBondContact O-CB 3.45Å; L1056-Y1060 PolarHBondContact O-N 3.47Å
1057E93.6Very high91.8Very high61 Ų6184.4 Ų84.429%0.28538%0.375SS..Hα-helixtrans-61.7-48.6174.2-84.2177.7176.900111.6L252 R256 L1053 K1055 Y1060 F1061L252-E1057 HydrophobicContact CD1-CB 4.26Å; L252-E1057 HydrophobicContact CD1-CG 3.42Å; L252-E1057 VanDerWaalsContact CD1-CG 3.42Å; L252-E1057 HydrophobicContact CG-CG 4.41Å; R256-E1057 IonicContact CZ-OE1 3.32Å; R256-E1057 IonicContact NE-OE1 3.72Å; R256-E1057 IonicContact NH2-OE1 3.78Å; R256-E1057 PolarHBondContact NH2-OE1 3.25Å; L1053-E1057 VanDerWaalsContact O-CB 3.31Å; L1053-E1057 WeakPolarHBondContact O-CB 3.44Å; L1053-E1057 WeakPolarHBondContact O-CG 3.38Å; L1053-E1057 PolarHBondContact O-N 3.19Å; K1055-E1057 VanDerWaalsContact C-N 3.26Å; K1055-E1057 PolarHBondContact O-N 2.68Å; E1057-Y1060 PolarHBondContact O-N 2.93Å; E1057-F1061 HydrophobicContact CB-CD2 4.5Å; E1057-F1061 HydrophobicContact CB-CE2 4.41Å; E1057-F1061 WeakPolarHBondContact O-CD2 3.3Å; E1057-F1061 PolarHBondContact O-N 3.46Å
1058R92.9Very high91.6Very high169 Ų16984 Ų8464%0.63838%0.375SS*.Hα-helixtrans-60.7-51.2177-69.4171.4-171.6-179.30.9111.2R1054 K1055 Y1060 F1061 E1062R1054-R1058 VanDerWaalsContact O-CG 3.31Å; R1054-R1058 WeakPolarHBondContact O-CG 3.44Å; R1054-R1058 PolarHBondContact O-N 3.19Å; K1055-R1058 PolarHBondContact O-N 3.41Å; K1055-R1058 VanDerWaalsContact O-N 3.1Å; R1058-Y1060 VanDerWaalsContact C-N 3.29Å; R1058-Y1060 PolarHBondContact O-N 3.36Å; R1058-F1061 PolarHBondContact O-N 2.82Å; R1058-F1061 VanDerWaalsContact O-N 3.12Å; R1058-E1062 WeakPolarHBondContact O-CG 3.45Å; R1058-E1062 PolarHBondContact O-N 2.78Å
1059D93.7Very high91.3Very high45 Ų4584.2 Ų84.224%0.24138%0.38CS..Hα-helixtrans-59.7-40.1-179.3-63.6-12.7000111.1F248 K1055 M1063F248-D1059 HydrophobicContact CD2-CB 4.34Å; F248-D1059 HydrophobicContact CE2-CB 4.04Å; F248-D1059 HydrophobicContact CZ-CB 4.13Å; K1055-D1059 VanDerWaalsContact O-CG 3.3Å; K1055-D1059 PolarHBondContact O-N 2.68Å; D1059-M1063 VanDerWaalsContact O-CB 3.28Å; D1059-M1063 WeakPolarHBondContact O-CB 3.37Å; D1059-M1063 PolarHBondContact O-N 3.21Å
1060Y94.6Very high91Very high45 Ų4584.6 Ų84.618%0.17639%0.387CS..Hα-helixtrans-66.1-44.4174172.6-107.1000112.8A245 F248 R249 L1056 E1057 R1058 M1063 R1064A245-Y1060 HydrophobicContact CB-CE2 4.5Å; A245-Y1060 WeakPolarHBondContact O-CD2 3.24Å; A245-Y1060 WeakPolarHBondContact O-CE2 3.47Å; F248-Y1060 HydrophobicContact CB-CD2 4.27Å; R249-Y1060 HydrophobicContact CB-CD2 4.13Å; R249-Y1060 HydrophobicContact CB-CE2 3.77Å; R249-Y1060 HydrophobicContact CG-CE2 4.37Å; L1056-Y1060 WeakPolarHBondContact O-CB 3.45Å; L1056-Y1060 PolarHBondContact O-N 3.47Å; E1057-Y1060 PolarHBondContact O-N 2.93Å; R1058-Y1060 VanDerWaalsContact C-N 3.29Å; R1058-Y1060 PolarHBondContact O-N 3.36Å; Y1060-M1063 PolarHBondContact O-N 3.24Å; Y1060-R1064 WeakPolarHBondContact O-CB 3.33Å; Y1060-R1064 PolarHBondContact O-N 2.9Å
1061F92Very high90.7Very high115 Ų11587.7 Ų87.750%0.50440%0.396SS..Hα-helixtrans-64.9-44.7179-79.9-61.3000111.9E1057 R1058 R1064 E1065E1057-F1061 HydrophobicContact CB-CD2 4.5Å; E1057-F1061 HydrophobicContact CB-CE2 4.41Å; E1057-F1061 WeakPolarHBondContact O-CD2 3.3Å; E1057-F1061 PolarHBondContact O-N 3.46Å; R1058-F1061 PolarHBondContact O-N 2.82Å; R1058-F1061 VanDerWaalsContact O-N 3.12Å; F1061-R1064 PolarHBondContact O-N 3.07Å; F1061-E1065 PolarHBondContact O-N 3.05Å
1062E92.9Very high90.3Very high116 Ų11683.3 Ų83.354%0.54239%0.393SS..Hα-helixtrans-60.2-48.2175-72.2-180-171.700111R1058 R1064 E1065 Q1066R1058-E1062 WeakPolarHBondContact O-CG 3.45Å; R1058-E1062 PolarHBondContact O-N 2.78Å; E1062-R1064 VanDerWaalsContact C-N 3.33Å; E1062-R1064 PolarHBondContact O-N 2.87Å; E1062-E1065 PolarHBondContact O-N 2.97Å; E1062-Q1066 WeakPolarHBondContact O-CG 3.46Å; E1062-Q1066 PolarHBondContact O-N 2.82Å
1063M92.4Very high90Very high17 Ų1779.2 Ų79.28%0.08438%0.379CS..Hα-helixtrans-66-36.3178.6-170.354.2115.900112H241 K244 A245 F248 D1059 Y1060 Q1066 V1067H241-M1063 HydrophobicContact CB-CE 4.48Å; H241-M1063 HydrophobicContact CB-SD 3.95Å; H241-M1063 WeakPolarHBondContact ND1-CE 3.41Å; H241-M1063 PolarHBondContact ND1-SD 3.45Å; K244-M1063 HydrophobicContact CB-CE 3.72Å; K244-M1063 HydrophobicContact CD-CE 3.45Å; K244-M1063 VanDerWaalsContact CD-CE 3.45Å; K244-M1063 HydrophobicContact CG-CE 3.59Å; A245-M1063 HydrophobicContact CB-CG 4.01Å; F248-M1063 HydrophobicContact CD2-CB 4.28Å; F248-M1063 HydrophobicContact CE2-CB 4.36Å; D1059-M1063 VanDerWaalsContact O-CB 3.28Å; D1059-M1063 WeakPolarHBondContact O-CB 3.37Å; D1059-M1063 PolarHBondContact O-N 3.21Å; Y1060-M1063 PolarHBondContact O-N 3.24Å; M1063-Q1066 WeakPolarHBondContact O-CB 3.46Å; M1063-Q1066 PolarHBondContact O-N 3.42Å; M1063-Q1066 HydrophobicContact SD-CB 4.3Å; M1063-Q1066 PolarHBondContact SD-OE1 3.48Å; M1063-V1067 WeakPolarHBondContact O-CG2 3.42Å; M1063-V1067 PolarHBondContact O-N 3.14Å
1064R90.8Very high89.7Confident131 Ų13180.1 Ų80.149%0.49438%0.382SS..Hα-helixtrans-64.1-40.4174.8-179.5-179.4173.1-143.3-2.2111.6Y1060 F1061 E1062 Q1066 V1067 V1068Y1060-R1064 WeakPolarHBondContact O-CB 3.33Å; Y1060-R1064 PolarHBondContact O-N 2.9Å; F1061-R1064 PolarHBondContact O-N 3.07Å; E1062-R1064 VanDerWaalsContact C-N 3.33Å; E1062-R1064 PolarHBondContact O-N 2.87Å; R1064-Q1066 VanDerWaalsContact C-N 3.32Å; R1064-V1067 PolarHBondContact O-N 3.41Å; R1064-V1068 VanDerWaalsContact O-CG2 3.31Å; R1064-V1068 WeakPolarHBondContact O-CG2 3.15Å; R1064-V1068 PolarHBondContact O-N 2.9Å
1065E89.9Confident89.4Confident136 Ų13675.6 Ų75.664%0.63637%0.374SS*.Hα-helixtrans-62.1-41.6174.7-172178.4175.300111.2F1061 E1062 V1068 T1069F1061-E1065 PolarHBondContact O-N 3.05Å; E1062-E1065 PolarHBondContact O-N 2.97Å; E1065-V1068 PolarHBondContact O-N 3.48Å; E1065-T1069 WeakPolarHBondContact O-CB 3.45Å; E1065-T1069 PolarHBondContact O-N 2.98Å; E1065-T1069 PolarHBondContact O-OG1 3.39Å
1066Q88.1Confident89.1Confident93 Ų9371 Ų7144%0.43536%0.361SS..Hα-helixtrans-61-45.6172.8-67.7176.612.800111.8E1062 M1063 R1064 V1068 T1069 A1070E1062-Q1066 WeakPolarHBondContact O-CG 3.46Å; E1062-Q1066 PolarHBondContact O-N 2.82Å; M1063-Q1066 WeakPolarHBondContact O-CB 3.46Å; M1063-Q1066 PolarHBondContact O-N 3.42Å; M1063-Q1066 HydrophobicContact SD-CB 4.3Å; M1063-Q1066 PolarHBondContact SD-OE1 3.48Å; R1064-Q1066 VanDerWaalsContact C-N 3.32Å; Q1066-V1068 VanDerWaalsContact C-N 3.32Å; Q1066-V1068 PolarHBondContact O-N 3.33Å; Q1066-T1069 PolarHBondContact O-N 2.85Å; Q1066-A1070 VanDerWaalsContact O-CB 3.23Å; Q1066-A1070 WeakPolarHBondContact O-CB 3.46Å; Q1066-A1070 PolarHBondContact O-N 3.27Å
1067V87.3Confident89Confident22 Ų2270.6 Ų70.613%0.13336%0.359CS..Hα-helixtrans-58.7-43175.4171.70000111.5H241 L242 A245 M1063 R1064 K1071H241-V1067 VanDerWaalsContact C-CG2 3.47Å; H241-V1067 HydrophobicContact CB-CG2 3.58Å; H241-V1067 WeakPolarHBondContact O-CG2 3.45Å; L242-V1067 HydrophobicContact CD1-CG1 4.48Å; A245-V1067 HydrophobicContact CB-CG2 4.19Å; M1063-V1067 WeakPolarHBondContact O-CG2 3.42Å; M1063-V1067 PolarHBondContact O-N 3.14Å; R1064-V1067 PolarHBondContact O-N 3.41Å; V1067-K1071 WeakPolarHBondContact O-CB 3.39Å; V1067-K1071 PolarHBondContact O-N 3.38Å
1068V86.7Confident88.7Confident87 Ų8769.7 Ų69.753%0.52736%0.355SS..Hα-helixtrans-66.2-44.6179.2171.20000110.9R1064 E1065 Q1066 K1071 A1072R1064-V1068 VanDerWaalsContact O-CG2 3.31Å; R1064-V1068 WeakPolarHBondContact O-CG2 3.15Å; R1064-V1068 PolarHBondContact O-N 2.9Å; E1065-V1068 PolarHBondContact O-N 3.48Å; Q1066-V1068 VanDerWaalsContact C-N 3.32Å; Q1066-V1068 PolarHBondContact O-N 3.33Å; V1068-K1071 PolarHBondContact O-N 2.94Å; V1068-A1072 PolarHBondContact O-N 3.49Å
1069T84.7Confident88.5Confident92 Ų9269.9 Ų69.956%0.56436%0.356SS*.Hα-helixtrans-65-48179.4-56.30000111.1E1065 Q1066 K1071 A1072 G1073E1065-T1069 WeakPolarHBondContact O-CB 3.45Å; E1065-T1069 PolarHBondContact O-N 2.98Å; E1065-T1069 PolarHBondContact O-OG1 3.39Å; Q1066-T1069 PolarHBondContact O-N 2.85Å; T1069-K1071 VanDerWaalsContact C-N 3.31Å; T1069-K1071 PolarHBondContact O-N 3.35Å; T1069-A1072 PolarHBondContact O-N 2.7Å; T1069-G1073 PolarHBondContact O-N 2.92Å
1070A84.1Confident88.3Confident30 Ų3069.4 Ų69.425%0.24835%0.353CS..Hα-helixtrans-60.4-39.717500000111.7Q1066 W1074Q1066-A1070 VanDerWaalsContact O-CB 3.23Å; Q1066-A1070 WeakPolarHBondContact O-CB 3.46Å; Q1066-A1070 PolarHBondContact O-N 3.27Å; A1070-W1074 VanDerWaalsContact O-CB 3.22Å; A1070-W1074 WeakPolarHBondContact O-CB 3.13Å; A1070-W1074 PolarHBondContact O-N 2.99Å
1071K85.7Confident88.1Confident109 Ų10967.2 Ų67.247%0.47434%0.344SS..Hα-helixtrans-64.1-43.3175-178.2-179.2177.9-1770112V1067 V1068 T1069 W1074 C1075V1067-K1071 WeakPolarHBondContact O-CB 3.39Å; V1067-K1071 PolarHBondContact O-N 3.38Å; V1068-K1071 PolarHBondContact O-N 2.94Å; T1069-K1071 VanDerWaalsContact C-N 3.31Å; T1069-K1071 PolarHBondContact O-N 3.35Å; K1071-W1074 PolarHBondContact O-N 3.14Å; K1071-C1075 WeakPolarHBondContact O-CB 3.41Å; K1071-C1075 PolarHBondContact O-N 3.32Å; K1071-C1075 PolarHBondContact O-SG 3.24Å
1072A84.5Confident87.9Confident63 Ų6367.6 Ų67.652%0.52135%0.346SS..Hα-helixtrans-63.1-47.6178.600000111.5V1068 T1069 C1075 A1076V1068-A1072 PolarHBondContact O-N 3.49Å; T1069-A1072 PolarHBondContact O-N 2.7Å; A1072-C1075 PolarHBondContact O-N 2.85Å; A1072-A1076 PolarHBondContact O-N 2.97Å; A1072-A1076 VanDerWaalsContact O-N 3.17Å
1073G84.2Confident87.7Confident15 Ų1567.9 Ų67.916%0.15535%0.351CS..Hα-helixtrans-59.6-45.5174.400000112.3T1069 C1075 A1076 V1077T1069-G1073 PolarHBondContact O-N 2.92Å; G1073-C1075 PolarHBondContact O-N 2.64Å; G1073-A1076 WeakPolarHBondContact O-CB 3.32Å; G1073-A1076 PolarHBondContact O-N 3.01Å; G1073-A1076 VanDerWaalsContact O-N 3.13Å; G1073-V1077 WeakPolarHBondContact O-CG2 3.34Å; G1073-V1077 PolarHBondContact O-N 3.36Å
1074W86.1Confident87.5Confident31 Ų3170.6 Ų70.612%0.11737%0.366CS..Hα-helixtrans-61.6-40.1177.1-175.7-108.2000113.3Y231 H234 A235 R238 A1070 K1071 A1076 V1077 M1078Y231-W1074 HydrophobicContact CD1-CH2 4.09Å; Y231-W1074 AromaticContact CD2-CH2 3.62Å; Y231-W1074 HydrophobicContact CD2-CH2 3.62Å; Y231-W1074 AromaticContact CD2-CZ3 3.72Å; Y231-W1074 HydrophobicContact CD2-CZ3 3.72Å; Y231-W1074 AromaticContact CE1-CH2 3.8Å; Y231-W1074 HydrophobicContact CE1-CH2 3.8Å; Y231-W1074 AromaticContact CE2-CH2 3.29Å; Y231-W1074 HydrophobicContact CE2-CH2 3.29Å; Y231-W1074 HydrophobicContact CE2-CZ2 4.02Å; Y231-W1074 AromaticContact CE2-CZ3 3.79Å; Y231-W1074 HydrophobicContact CE2-CZ3 3.79Å; Y231-W1074 AromaticContact CG-CH2 4Å; Y231-W1074 HydrophobicContact CG-CH2 4Å; Y231-W1074 HydrophobicContact CG-CZ3 4.2Å; Y231-W1074 AromaticContact CZ-CH2 3.38Å; Y231-W1074 AromaticContact CZ-CZ2 3.9Å; Y231-W1074 WeakPolarHBondContact O-CH2 3.42Å; Y231-W1074 WeakPolarHBondContact O-CZ3 3.37Å; H234-W1074 HydrophobicContact CB-CE3 3.77Å; H234-W1074 HydrophobicContact CB-CZ3 3.86Å; A235-W1074 HydrophobicContact CB-CH2 3.81Å; A235-W1074 HydrophobicContact CB-CZ2 4.06Å; A235-W1074 HydrophobicContact CB-CZ3 4.38Å; R238-W1074 VanDerWaalsContact NH1-CD1 3.34Å; A1070-W1074 VanDerWaalsContact O-CB 3.22Å; A1070-W1074 WeakPolarHBondContact O-CB 3.13Å; A1070-W1074 PolarHBondContact O-N 2.99Å; K1071-W1074 PolarHBondContact O-N 3.14Å; W1074-A1076 VanDerWaalsContact C-N 3.3Å; W1074-A1076 PolarHBondContact O-N 3.29Å; W1074-V1077 HydrophobicContact CE3-CB 4.38Å; W1074-V1077 HydrophobicContact CE3-CG1 4.2Å; W1074-V1077 HydrophobicContact CZ3-CG1 4.08Å; W1074-V1077 PolarHBondContact O-N 2.89Å; W1074-M1078 HydrophobicContact CD2-CG 4.16Å; W1074-M1078 HydrophobicContact CG-CG 4.38Å; W1074-M1078 HydrophobicContact CH2-SD 4.4Å; W1074-M1078 HydrophobicContact CZ2-CG 3.94Å; W1074-M1078 HydrophobicContact CZ2-SD 3.67Å; W1074-M1078 WeakPolarHBondContact O-CB 3.41Å; W1074-M1078 WeakPolarHBondContact O-CG 3.33Å; W1074-M1078 PolarHBondContact O-N 3.36Å
1075C86.8Confident87.2Confident63 Ų6367.4 Ų67.443%0.42637%0.374SS..Hα-helixtrans-62.6-37.6175-74.60000112K1071 A1072 G1073 R1079K1071-C1075 WeakPolarHBondContact O-CB 3.41Å; K1071-C1075 PolarHBondContact O-N 3.32Å; K1071-C1075 PolarHBondContact O-SG 3.24Å; A1072-C1075 PolarHBondContact O-N 2.85Å; G1073-C1075 PolarHBondContact O-N 2.64Å; C1075-R1079 WeakPolarHBondContact O-CB 3.41Å; C1075-R1079 PolarHBondContact O-N 2.72Å
1076A87.6Confident86.9Confident38 Ų3861.4 Ų61.431%0.31435%0.346SS..Hα-helixtrans-66.6-46.1175.200000111.4A1072 G1073 W1074 R1079 M1080 E1138A1072-A1076 PolarHBondContact O-N 2.97Å; A1072-A1076 VanDerWaalsContact O-N 3.17Å; G1073-A1076 WeakPolarHBondContact O-CB 3.32Å; G1073-A1076 PolarHBondContact O-N 3.01Å; G1073-A1076 VanDerWaalsContact O-N 3.13Å; W1074-A1076 VanDerWaalsContact C-N 3.3Å; W1074-A1076 PolarHBondContact O-N 3.29Å; A1076-R1079 PolarHBondContact O-N 3.07Å; A1076-M1080 PolarHBondContact O-N 3.19Å; A1076-E1138 HydrophobicContact CB-CB 4.47Å
1077V90.1Very high86.8Confident4 Ų460.2 Ų60.22%0.02434%0.341CS..Hα-helixtrans-56.2-53.7173.71690000110.7Y231 G1073 W1074 R1079 M1080 V1081 P1137 E1138 I1141Y231-V1077 HydrophobicContact CD2-CG1 3.71Å; Y231-V1077 HydrophobicContact CE2-CG1 3.96Å; G1073-V1077 WeakPolarHBondContact O-CG2 3.34Å; G1073-V1077 PolarHBondContact O-N 3.36Å; W1074-V1077 HydrophobicContact CE3-CB 4.38Å; W1074-V1077 HydrophobicContact CE3-CG1 4.2Å; W1074-V1077 HydrophobicContact CZ3-CG1 4.08Å; W1074-V1077 PolarHBondContact O-N 2.89Å; V1077-R1079 VanDerWaalsContact C-N 3.33Å; V1077-R1079 PolarHBondContact O-N 3.01Å; V1077-M1080 PolarHBondContact O-N 3.38Å; V1077-V1081 HydrophobicContact CG1-CG2 4.15Å; V1077-V1081 WeakPolarHBondContact O-CB 3.33Å; V1077-V1081 VanDerWaalsContact O-CG2 3.25Å; V1077-V1081 WeakPolarHBondContact O-CG2 3.38Å; V1077-V1081 PolarHBondContact O-N 3.39Å; V1077-P1137 HydrophobicContact CG2-CB 4Å; V1077-P1137 HydrophobicContact CG2-CG 4.07Å; V1077-E1138 HydrophobicContact CG2-CB 4.4Å; V1077-I1141 HydrophobicContact CG1-CD1 4.18Å; V1077-I1141 HydrophobicContact CG1-CG1 3.98Å
1078M88.4Confident86.4Confident43 Ų4370.8 Ų70.821%0.21238%0.378CS..Hα-helixtrans-59.2-40.8-179.2-79-64.7-69.600113.1Y231 W1074 K1082Y231-M1078 HydrophobicContact CE2-SD 4.1Å; Y231-M1078 PolarHBondContact OH-SD 2.88Å; W1074-M1078 HydrophobicContact CD2-CG 4.16Å; W1074-M1078 HydrophobicContact CG-CG 4.38Å; W1074-M1078 HydrophobicContact CH2-SD 4.4Å; W1074-M1078 HydrophobicContact CZ2-CG 3.94Å; W1074-M1078 HydrophobicContact CZ2-SD 3.67Å; W1074-M1078 WeakPolarHBondContact O-CB 3.41Å; W1074-M1078 WeakPolarHBondContact O-CG 3.33Å; W1074-M1078 PolarHBondContact O-N 3.36Å; M1078-K1082 WeakPolarHBondContact O-CB 3.44Å; M1078-K1082 WeakPolarHBondContact O-CG 3.29Å; M1078-K1082 PolarHBondContact O-N 3.5Å; M1078-K1082 VanDerWaalsContact O-N 3.08Å
1079R88.7Confident86.1Confident172 Ų17270.1 Ų70.165%0.64937%0.367SS*.Hα-helixtrans-62.2-50.1176.4-172.9-178.1-66.3155.6-1.6110.1C1075 A1076 V1077 V1081 K1082 D1083C1075-R1079 WeakPolarHBondContact O-CB 3.41Å; C1075-R1079 PolarHBondContact O-N 2.72Å; A1076-R1079 PolarHBondContact O-N 3.07Å; V1077-R1079 VanDerWaalsContact C-N 3.33Å; V1077-R1079 PolarHBondContact O-N 3.01Å; R1079-V1081 VanDerWaalsContact C-N 3.35Å; R1079-V1081 PolarHBondContact O-N 3.48Å; R1079-K1082 PolarHBondContact O-N 3.23Å; R1079-D1083 WeakPolarHBondContact CG-OD2 3.48Å; R1079-D1083 WeakPolarHBondContact O-CB 3.27Å; R1079-D1083 PolarHBondContact O-N 2.92Å
1080M89Confident86.3Confident35 Ų3565.8 Ų65.817%0.17234%0.34CS..Hα-helixtrans-67.1-35.2-178.4-159.8153.769.100113.2A1076 V1077 K1082 N1084 E1138 I1141 Q1142A1076-M1080 PolarHBondContact O-N 3.19Å; V1077-M1080 PolarHBondContact O-N 3.38Å; M1080-K1082 VanDerWaalsContact C-N 3.35Å; M1080-N1084 WeakPolarHBondContact O-CB 3.47Å; M1080-N1084 PolarHBondContact O-N 3.43Å; M1080-N1084 VanDerWaalsContact O-N 3.16Å; M1080-N1084 PolarHBondContact O-ND2 3.5Å; M1080-E1138 HydrophobicContact CE-CB 3.88Å; M1080-E1138 WeakPolarHBondContact CE-O 3.34Å; M1080-I1141 HydrophobicContact CB-CG2 4.15Å; M1080-I1141 HydrophobicContact CE-CB 3.45Å; M1080-I1141 VanDerWaalsContact CE-CB 3.45Å; M1080-I1141 HydrophobicContact CE-CG1 4.38Å; M1080-I1141 HydrophobicContact CE-CG2 3.68Å; M1080-I1141 HydrophobicContact CG-CG2 3.93Å; M1080-Q1142 HydrophobicContact CE-CB 4.46Å; M1080-Q1142 HydrophobicContact CE-CG 3.63Å; M1080-Q1142 HydrophobicContact SD-CG 3.9Å
1081V89.6Confident86.3Confident0 Ų068.7 Ų68.70%035%0.348CS..Hα-helixtrans-62.5-41.3174165.60000111.4Y231 V1077 R1079 G1085 V1086 E1087 L1090 I1141Y231-V1081 HydrophobicContact CD2-CG2 4.29Å; Y231-V1081 HydrophobicContact CE2-CG1 4.48Å; Y231-V1081 HydrophobicContact CE2-CG2 4.05Å; V1077-V1081 HydrophobicContact CG1-CG2 4.15Å; V1077-V1081 WeakPolarHBondContact O-CB 3.33Å; V1077-V1081 VanDerWaalsContact O-CG2 3.25Å; V1077-V1081 WeakPolarHBondContact O-CG2 3.38Å; V1077-V1081 PolarHBondContact O-N 3.39Å; R1079-V1081 VanDerWaalsContact C-N 3.35Å; R1079-V1081 PolarHBondContact O-N 3.48Å; V1081-G1085 PolarHBondContact O-N 3.2Å; V1081-V1086 HydrophobicContact CB-CG2 4.29Å; V1081-V1086 HydrophobicContact CG1-CG2 4.16Å; V1081-V1086 HydrophobicContact CG2-CG2 4.29Å; V1081-V1086 PolarHBondContact O-N 3.45Å; V1081-V1086 VanDerWaalsContact O-N 3.07Å; V1081-E1087 HydrophobicContact CG1-CB 3.62Å; V1081-E1087 HydrophobicContact CG1-CG 4.03Å; V1081-L1090 HydrophobicContact CG1-CD1 4.5Å; V1081-L1090 HydrophobicContact CG2-CD1 3.78Å; V1081-I1141 HydrophobicContact CG2-CD1 3.69Å; V1081-I1141 HydrophobicContact CG2-CG1 3.98Å; V1081-I1141 HydrophobicContact CG2-CG2 4.07Å
1082K87.3Confident86.2Confident122 Ų12267.2 Ų67.253%0.5334%0.34SS..Hα-helixtrans-72.1-46176.4-74.8-175.9176.2-170.20112.8M1078 R1079 M1080 N1084 G1085 E1087M1078-K1082 WeakPolarHBondContact O-CB 3.44Å; M1078-K1082 WeakPolarHBondContact O-CG 3.29Å; M1078-K1082 PolarHBondContact O-N 3.5Å; M1078-K1082 VanDerWaalsContact O-N 3.08Å; R1079-K1082 PolarHBondContact O-N 3.23Å; M1080-K1082 VanDerWaalsContact C-N 3.35Å; K1082-N1084 PolarHBondContact O-N 3.44Å; K1082-G1085 PolarHBondContact O-N 2.89Å; K1082-E1087 WeakPolarHBondContact CE-OE2 3.3Å
1083D88.7Confident86Confident123 Ų12369.1 Ų69.166%0.65833%0.333SS*.Hα-helixtrans-60.9-27.7-178.8-66.7-11.8000112R1079R1079-D1083 WeakPolarHBondContact CG-OD2 3.48Å; R1079-D1083 WeakPolarHBondContact O-CB 3.27Å; R1079-D1083 PolarHBondContact O-N 2.92Å
1084N88.3Confident85.9Confident73 Ų7370.7 Ų70.739%0.3934%0.337SS..THydrogen-bonded Turntrans-102.81.8178-65.9-84.3000114M1080 K1082 V1086 V1145M1080-N1084 WeakPolarHBondContact O-CB 3.47Å; M1080-N1084 PolarHBondContact O-N 3.43Å; M1080-N1084 VanDerWaalsContact O-N 3.16Å; M1080-N1084 PolarHBondContact O-ND2 3.5Å; K1082-N1084 PolarHBondContact O-N 3.44Å; N1084-V1086 VanDerWaalsContact C-N 3.29Å; N1084-V1086 HydrophobicContact CB-CG1 4.48Å; N1084-V1086 HydrophobicContact CB-CG2 4.44Å; N1084-V1086 PolarHBondContact O-N 3.36Å; N1084-V1145 HydrophobicContact CB-CG2 3.88Å
1085G84.4Confident85.8Confident65 Ų6569.8 Ų69.867%0.6733%0.334SS*.THydrogen-bonded Turntrans65.523.3176.400000115.6V1081 K1082V1081-G1085 PolarHBondContact O-N 3.2Å; K1082-G1085 PolarHBondContact O-N 2.89Å
1086V85.5Confident85.5Confident9 Ų968.8 Ų68.86%0.05533%0.33CS..  trans-95.21.8-175.2-66.60000114.1V1081 N1084 R1088 R1089 L1090 F1144V1081-V1086 HydrophobicContact CB-CG2 4.29Å; V1081-V1086 HydrophobicContact CG1-CG2 4.16Å; V1081-V1086 HydrophobicContact CG2-CG2 4.29Å; V1081-V1086 PolarHBondContact O-N 3.45Å; V1081-V1086 VanDerWaalsContact O-N 3.07Å; N1084-V1086 VanDerWaalsContact C-N 3.29Å; N1084-V1086 HydrophobicContact CB-CG1 4.48Å; N1084-V1086 HydrophobicContact CB-CG2 4.44Å; N1084-V1086 PolarHBondContact O-N 3.36Å; V1086-R1088 PolarHBondContact O-N 3.26Å; V1086-R1089 PolarHBondContact O-N 3Å; V1086-R1089 VanDerWaalsContact O-N 3.1Å; V1086-L1090 HydrophobicContact CB-CD1 4.37Å; V1086-L1090 HydrophobicContact CG2-CD1 3.86Å; V1086-L1090 PolarHBondContact O-N 3.19Å; V1086-F1144 HydrophobicContact CB-CD1 4.12Å; V1086-F1144 HydrophobicContact CB-CE1 3.9Å; V1086-F1144 HydrophobicContact CG1-CD1 3.93Å; V1086-F1144 HydrophobicContact CG1-CE1 3.8Å; V1086-F1144 HydrophobicContact CG2-CD1 4.38Å
1087E84.3Confident85.3Confident68 Ų6870.1 Ų70.132%0.31833%0.328SS..Hα-helixtrans-55.5-47.8-173.6-167168.6-164.400113.4V1081 K1082 R1089 L1090 H1091V1081-E1087 HydrophobicContact CG1-CB 3.62Å; V1081-E1087 HydrophobicContact CG1-CG 4.03Å; K1082-E1087 WeakPolarHBondContact CE-OE2 3.3Å; E1087-R1089 PolarHBondContact O-N 2.86Å; E1087-R1089 VanDerWaalsContact O-N 3.12Å; E1087-L1090 PolarHBondContact O-N 3.37Å; E1087-H1091 VanDerWaalsContact O-CB 3.29Å; E1087-H1091 WeakPolarHBondContact O-CB 3.04Å; E1087-H1091 PolarHBondContact O-N 3.39Å
1088R80.3Confident84.9Confident244 Ų24473 Ų7392%0.92134%0.342SS*.Hα-helixtrans-59.2-27.1-179.3-72-175.1177.8179.4-1.3113.4V1086V1086-R1088 PolarHBondContact O-N 3.26Å
1089R80.6Confident84.6Confident74 Ų7473.5 Ų73.528%0.27935%0.35SS..Hα-helixtrans-90.7-34-176-60.3-171.1-170.3-148.72.8113.1V1086 E1087 Y1148 D1164V1086-R1089 PolarHBondContact O-N 3Å; V1086-R1089 VanDerWaalsContact O-N 3.1Å; E1087-R1089 PolarHBondContact O-N 2.86Å; E1087-R1089 VanDerWaalsContact O-N 3.12Å; R1089-Y1148 WeakPolarHBondContact CD-OH 3.34Å; R1089-Y1148 VanDerWaalsContact CZ-OH 3.29Å; R1089-Y1148 PolarHBondContact NE-OH 2.81Å; R1089-Y1148 PolarHBondContact NH1-OH 2.84Å; R1089-D1164 IonicContact CZ-OD1 3.35Å; R1089-D1164 IonicContact CZ-OD2 2.67Å; R1089-D1164 IonicContact NH1-OD1 3.12Å; R1089-D1164 PolarHBondContact NH1-OD1 3.44Å; R1089-D1164 VanDerWaalsContact NH1-OD1 3.12Å; R1089-D1164 IonicContact NH1-OD2 3.43Å; R1089-D1164 IonicContact NH2-OD1 3.93Å; R1089-D1164 PolarHBondContact NH2-OD1 2.87Å; R1089-D1164 IonicContact NH2-OD2 3.97Å; R1089-D1164 PolarHBondContact NH2-OD2 3.12Å
1090L87.6Confident84.2Confident0 Ų067.3 Ų67.30%034%0.336CS..Hα-helixtrans-83.7-31-179.5-61.2-179.7000112.1V227 A228 Y231 V1081 V1086 E1087 R1092 I1141 F1144V227-L1090 HydrophobicContact CB-CD2 3.87Å; V227-L1090 HydrophobicContact CG1-CD1 3.96Å; V227-L1090 HydrophobicContact CG1-CD2 3.61Å; V227-L1090 HydrophobicContact CG1-CG 4.44Å; A228-L1090 HydrophobicContact CB-CD2 4.37Å; A228-L1090 WeakPolarHBondContact CB-O 3.26Å; Y231-L1090 HydrophobicContact CD1-CB 4.26Å; Y231-L1090 HydrophobicContact CG-CB 4.22Å; V1081-L1090 HydrophobicContact CG1-CD1 4.5Å; V1081-L1090 HydrophobicContact CG2-CD1 3.78Å; V1086-L1090 HydrophobicContact CB-CD1 4.37Å; V1086-L1090 HydrophobicContact CG2-CD1 3.86Å; V1086-L1090 PolarHBondContact O-N 3.19Å; E1087-L1090 PolarHBondContact O-N 3.37Å; L1090-R1092 VanDerWaalsContact C-N 3.27Å; L1090-R1092 PolarHBondContact O-N 3.41Å; L1090-I1141 HydrophobicContact CD1-CD1 3.62Å; L1090-F1144 HydrophobicContact CD2-CD1 4.2Å; L1090-F1144 HydrophobicContact CD2-CE1 3.94Å; L1090-F1144 HydrophobicContact CD2-CE2 4.29Å; L1090-F1144 HydrophobicContact CD2-CG 4.46Å; L1090-F1144 HydrophobicContact CD2-CZ 3.96Å; L1090-F1144 HydrophobicContact CG-CE1 4.33Å
1091H83.9Confident83.9Confident92 Ų9271.4 Ų71.443%0.42636%0.359SS..  trans-81.570.1-179.9-167.3-72.2000112.1Y231 E1087 R1093Y231-H1091 HydrophobicContact CE1-CB 4.13Å; Y231-H1091 AromaticContact CE1-CD2 3.97Å; E1087-H1091 VanDerWaalsContact O-CB 3.29Å; E1087-H1091 WeakPolarHBondContact O-CB 3.04Å; E1087-H1091 PolarHBondContact O-N 3.39Å; H1091-R1093 PolarHBondContact O-N 3.01Å
1092R83.7Confident83.7Confident78 Ų7875.4 Ų75.429%0.29438%0.38SS..  trans-83.1101.9174.8-74.8-169-178.7-179.91.1112.6T224 N225 M232 L1090 E1094 L1095T224-R1092 VanDerWaalsContact CG2-NH2 3.27Å; N225-R1092 PolarHBondContact OD1-NH1 3.13Å; M232-R1092 WeakPolarHBondContact CE-O 3.28Å; L1090-R1092 VanDerWaalsContact C-N 3.27Å; L1090-R1092 PolarHBondContact O-N 3.41Å; R1092-E1094 WeakPolarHBondContact CB-OE1 3.4Å; R1092-E1094 WeakPolarHBondContact CD-OE1 3.39Å; R1092-E1094 PolarHBondContact O-N 3.15Å; R1092-E1094 VanDerWaalsContact O-N 3.15Å; R1092-L1095 HydrophobicContact CB-CB 4.5Å; R1092-L1095 HydrophobicContact CB-CD1 3.78Å; R1092-L1095 HydrophobicContact CB-CG 3.8Å; R1092-L1095 WeakPolarHBondContact O-CB 3.47Å; R1092-L1095 PolarHBondContact O-N 2.91Å
1093R81Confident83.8Confident103 Ų10369.6 Ų69.639%0.38936%0.355SS..G310 helixtrans-54.6-36.4-172-69.1172.368.4-175.41.4113L562 E792 H1091 L1095 A1096L562-R1093 HydrophobicContact CD1-CB 3.83Å; L562-R1093 HydrophobicContact CD2-CB 4.17Å; E792-R1093 IonicContact OE2-CZ 3.73Å; E792-R1093 IonicContact OE2-NE 3.58Å; E792-R1093 IonicContact OE2-NH2 2.81Å; E792-R1093 PolarHBondContact OE2-NH2 2.92Å; H1091-R1093 PolarHBondContact O-N 3.01Å; R1093-L1095 PolarHBondContact O-N 3.47Å; R1093-A1096 VanDerWaalsContact O-CB 3.29Å; R1093-A1096 WeakPolarHBondContact O-CB 3.32Å; R1093-A1096 PolarHBondContact O-N 3.45Å; R1093-A1096 VanDerWaalsContact O-N 3.15Å
1094E81.7Confident83.7Confident48 Ų4870.1 Ų70.122%0.22435%0.348CS..G310 helixtrans-60.7-30.717962.1-82.6-17000113.4L562 N566 R1092 A1096L562-E1094 HydrophobicContact CB-CB 4.43Å; N566-E1094 PolarHBondContact ND2-OE2 3.39Å; R1092-E1094 WeakPolarHBondContact CB-OE1 3.4Å; R1092-E1094 WeakPolarHBondContact CD-OE1 3.39Å; R1092-E1094 PolarHBondContact O-N 3.15Å; R1092-E1094 VanDerWaalsContact O-N 3.15Å; E1094-A1096 VanDerWaalsContact C-N 3.26Å; E1094-A1096 PolarHBondContact O-N 3.33Å
1095L84.7Confident83.8Confident11 Ų1170.3 Ų70.36%0.05835%0.354CS..G310 helixtrans-73.2-18.4179.6-60.6-174.6000112.8A228 M232 R1092 R1093 Y1097 L1098 L1103 M1106A228-L1095 HydrophobicContact CB-CD1 3.98Å; M232-L1095 HydrophobicContact CB-CB 3.96Å; M232-L1095 HydrophobicContact CG-CB 3.86Å; M232-L1095 HydrophobicContact CG-CD1 4.29Å; R1092-L1095 HydrophobicContact CB-CB 4.5Å; R1092-L1095 HydrophobicContact CB-CD1 3.78Å; R1092-L1095 HydrophobicContact CB-CG 3.8Å; R1092-L1095 WeakPolarHBondContact O-CB 3.47Å; R1092-L1095 PolarHBondContact O-N 2.91Å; R1093-L1095 PolarHBondContact O-N 3.47Å; L1095-Y1097 PolarHBondContact O-N 3.32Å; L1095-Y1097 VanDerWaalsContact O-N 3.17Å; L1095-L1098 HydrophobicContact CD2-CD1 3.68Å; L1095-L1098 PolarHBondContact O-N 3.12Å; L1095-L1103 HydrophobicContact CB-CD2 3.89Å; L1095-L1103 HydrophobicContact CD2-CD2 4.32Å; L1095-L1103 HydrophobicContact CG-CD2 4.47Å; L1095-M1106 HydrophobicContact CD1-CE 3.69Å; L1095-M1106 HydrophobicContact CD2-CE 3.56Å; L1095-M1106 HydrophobicContact CD2-SD 4.12Å; L1095-M1106 HydrophobicContact CG-CE 4.28Å
1096A81.3Confident84.2Confident43 Ų4369.6 Ų69.636%0.35533%0.334SS..G310 helixtrans-63.5-21.2179.100000112.9N236 R1093 E1094N236-A1096 PolarHBondContact ND2-O 3.31Å; N236-A1096 VanDerWaalsContact ND2-O 3.13Å; R1093-A1096 VanDerWaalsContact O-CB 3.29Å; R1093-A1096 WeakPolarHBondContact O-CB 3.32Å; R1093-A1096 PolarHBondContact O-N 3.45Å; R1093-A1096 VanDerWaalsContact O-N 3.15Å; E1094-A1096 VanDerWaalsContact C-N 3.26Å; E1094-A1096 PolarHBondContact O-N 3.33Å
1097Y82.3Confident84.4Confident66 Ų6669.2 Ų69.226%0.25933%0.332SS..G310 helixtrans-91.5-9.1-179.4-64.4-88000114.1M555 A558 P559 L562 E792 L1095M555-Y1097 WeakPolarHBondContact O-CD1 3.41Å; A558-Y1097 HydrophobicContact CB-CD1 4.41Å; A558-Y1097 HydrophobicContact CB-CE1 3.65Å; A558-Y1097 HydrophobicContact CB-CE2 4.12Å; A558-Y1097 VanDerWaalsContact CB-CZ 3.49Å; A558-Y1097 WeakPolarHBondContact CB-OH 3.46Å; P559-Y1097 VanDerWaalsContact CG-CB 3.5Å; P559-Y1097 HydrophobicContact CG-CD1 4.14Å; P559-Y1097 HydrophobicContact CG-CD2 3.91Å; P559-Y1097 HydrophobicContact CG-CG 3.58Å; L562-Y1097 HydrophobicContact CD1-CD2 4.32Å; L562-Y1097 HydrophobicContact CD1-CE2 3.67Å; E792-Y1097 VanDerWaalsContact CD-OH 3.26Å; E792-Y1097 WeakPolarHBondContact CG-OH 3.44Å; E792-Y1097 PolarHBondContact OE1-OH 2.87Å; L1095-Y1097 PolarHBondContact O-N 3.32Å; L1095-Y1097 VanDerWaalsContact O-N 3.17Å
1098L82.7Confident84.8Confident63 Ų6370 Ų7033%0.3334%0.339SS..SBendtrans-79.6150176.8-67.9176.4000110.7L1095 D1102 L1103L1095-L1098 HydrophobicContact CD2-CD1 3.68Å; L1095-L1098 PolarHBondContact O-N 3.12Å; L1098-D1102 HydrophobicContact CB-CB 4.11Å; L1098-D1102 HydrophobicContact CD2-CB 4.31Å; L1098-L1103 HydrophobicContact CB-CD1 4.47Å; L1098-L1103 HydrophobicContact CB-CD2 3.87Å; L1098-L1103 HydrophobicContact CB-CG 3.82Å; L1098-L1103 HydrophobicContact CD1-CD2 3.83Å; L1098-L1103 HydrophobicContact CG-CD2 4.47Å
1099S82.1Confident85.4Confident54 Ų5466.4 Ų66.438%0.37833%0.33SS..  trans-68.1159.8173.575.10000110.9D1101 D1102 L1103S1099-D1101 PolarHBondContact O-N 2.88Å; S1099-D1102 WeakPolarHBondContact CB-OD2 3.47Å; S1099-D1102 PolarHBondContact N-OD2 2.88Å; S1099-D1102 PolarHBondContact O-N 2.88Å; S1099-D1102 PolarHBondContact OG-N 2.96Å; S1099-D1102 VanDerWaalsContact OG-N 3.11Å; S1099-D1102 PolarHBondContact OG-OD2 3.12Å; S1099-L1103 WeakPolarHBondContact O-CG 3.48Å; S1099-L1103 PolarHBondContact O-N 3.2Å
1100A79.3Confident86Confident43 Ų4362.9 Ų62.936%0.35532%0.317SS..Hα-helixtrans-59.1-32175.800000112.2R233 R1104R233-A1100 HydrophobicContact CG-CB 4.31Å; A1100-R1104 VanDerWaalsContact O-CB 3.28Å; A1100-R1104 WeakPolarHBondContact O-CB 3.38Å; A1100-R1104 PolarHBondContact O-N 3.03Å
1101D82.9Confident86.3Confident120 Ų12063.6 Ų63.664%0.64232%0.32SS*.Hα-helixtrans-73.4-39.5177.4-68.5-33.4000112S1099 R1104 S1105S1099-D1101 PolarHBondContact O-N 2.88Å; D1101-R1104 PolarHBondContact O-N 3.23Å; D1101-S1105 WeakPolarHBondContact O-CB 3.32Å; D1101-S1105 PolarHBondContact O-N 3.05Å
1102D86Confident86.7Confident84 Ų8460.8 Ų60.845%0.44932%0.316SS..Hα-helixtrans-64.6-44174.9-62.5-41.7000111.1L1098 S1099 R1104 S1105 M1106L1098-D1102 HydrophobicContact CB-CB 4.11Å; L1098-D1102 HydrophobicContact CD2-CB 4.31Å; S1099-D1102 WeakPolarHBondContact CB-OD2 3.47Å; S1099-D1102 PolarHBondContact N-OD2 2.88Å; S1099-D1102 PolarHBondContact O-N 2.88Å; S1099-D1102 PolarHBondContact OG-N 2.96Å; S1099-D1102 VanDerWaalsContact OG-N 3.11Å; S1099-D1102 PolarHBondContact OG-OD2 3.12Å; D1102-R1104 VanDerWaalsContact C-N 3.32Å; D1102-R1104 PolarHBondContact O-N 2.75Å; D1102-S1105 PolarHBondContact O-N 3.1Å; D1102-M1106 WeakPolarHBondContact O-CB 3.35Å; D1102-M1106 PolarHBondContact O-N 3.46Å
1103L89.1Confident87.2Confident1 Ų158.1 Ų58.11%0.00531%0.311CS..Hα-helixtrans-63.2-40.6175.6-67.9171.8000111.1A229 M232 R233 L1095 L1098 S1099 M1106 S1107A229-L1103 WeakPolarHBondContact CB-O 3.39Å; M232-L1103 HydrophobicContact CB-CD1 4.41Å; R233-L1103 HydrophobicContact CB-CB 4.05Å; R233-L1103 HydrophobicContact CB-CD1 3.98Å; R233-L1103 HydrophobicContact CG-CB 4.48Å; L1095-L1103 HydrophobicContact CB-CD2 3.89Å; L1095-L1103 HydrophobicContact CD2-CD2 4.32Å; L1095-L1103 HydrophobicContact CG-CD2 4.47Å; L1098-L1103 HydrophobicContact CB-CD1 4.47Å; L1098-L1103 HydrophobicContact CB-CD2 3.87Å; L1098-L1103 HydrophobicContact CB-CG 3.82Å; L1098-L1103 HydrophobicContact CD1-CD2 3.83Å; L1098-L1103 HydrophobicContact CG-CD2 4.47Å; S1099-L1103 WeakPolarHBondContact O-CG 3.48Å; S1099-L1103 PolarHBondContact O-N 3.2Å; L1103-M1106 HydrophobicContact CD2-CE 4.48Å; L1103-M1106 PolarHBondContact O-N 2.76Å; L1103-S1107 WeakPolarHBondContact O-CB 3.44Å; L1103-S1107 PolarHBondContact O-N 2.53Å
1104R87.2Confident87.8Confident134 Ų13453.2 Ų53.251%0.50629%0.292SS..Hα-helixtrans-63.5-45174.6-171.2178.3-167.81754.2111.5A1100 D1101 D1102 M1106 S1107 D1108A1100-R1104 VanDerWaalsContact O-CB 3.28Å; A1100-R1104 WeakPolarHBondContact O-CB 3.38Å; A1100-R1104 PolarHBondContact O-N 3.03Å; D1101-R1104 PolarHBondContact O-N 3.23Å; D1102-R1104 VanDerWaalsContact C-N 3.32Å; D1102-R1104 PolarHBondContact O-N 2.75Å; R1104-M1106 VanDerWaalsContact C-N 3.33Å; R1104-M1106 PolarHBondContact O-N 2.73Å; R1104-S1107 WeakPolarHBondContact O-CB 3.37Å; R1104-S1107 PolarHBondContact O-N 3.34Å; R1104-D1108 WeakPolarHBondContact O-CB 3.43Å; R1104-D1108 VanDerWaalsContact O-CG 3.25Å; R1104-D1108 PolarHBondContact O-N 3.39Å
1105S90.2Very high88.4Confident76 Ų7656.9 Ų56.953%0.53130%0.304SS..Hα-helixtrans-60-43.6176.9-174.10000111.7D1101 D1102 D1108 K1109D1101-S1105 WeakPolarHBondContact O-CB 3.32Å; D1101-S1105 PolarHBondContact O-N 3.05Å; D1102-S1105 PolarHBondContact O-N 3.1Å; S1105-D1108 PolarHBondContact O-N 3.25Å; S1105-K1109 WeakPolarHBondContact O-CB 3.36Å; S1105-K1109 PolarHBondContact O-N 3.35Å
1106M91.2Very high88.7Confident50 Ų5063.1 Ų63.125%0.24634%0.336CS..Hα-helixtrans-62.7-43.7175.6-169.1174.376.600111.7A229 L1095 D1102 L1103 R1104 A1110A229-M1106 HydrophobicContact CB-CB 4.4Å; A229-M1106 HydrophobicContact CB-CE 3.38Å; L1095-M1106 HydrophobicContact CD1-CE 3.69Å; L1095-M1106 HydrophobicContact CD2-CE 3.56Å; L1095-M1106 HydrophobicContact CD2-SD 4.12Å; L1095-M1106 HydrophobicContact CG-CE 4.28Å; D1102-M1106 WeakPolarHBondContact O-CB 3.35Å; D1102-M1106 PolarHBondContact O-N 3.46Å; L1103-M1106 HydrophobicContact CD2-CE 4.48Å; L1103-M1106 PolarHBondContact O-N 2.76Å; R1104-M1106 VanDerWaalsContact C-N 3.33Å; R1104-M1106 PolarHBondContact O-N 2.73Å; M1106-A1110 WeakPolarHBondContact O-CB 3.4Å; M1106-A1110 PolarHBondContact O-N 3.35Å
1107S91.6Very high89.2Confident2 Ų262 Ų621%0.01433%0.328CS..Hα-helixtrans-59.8-47.1173.5168.90000111.7Y226 L1103 R1104 A1110 L1111 K1140Y226-S1107 WeakPolarHBondContact CD2-O 3.49Å; Y226-S1107 WeakPolarHBondContact CD2-OG 3.37Å; Y226-S1107 WeakPolarHBondContact CE2-OG 3.06Å; L1103-S1107 WeakPolarHBondContact O-CB 3.44Å; L1103-S1107 PolarHBondContact O-N 2.53Å; R1104-S1107 WeakPolarHBondContact O-CB 3.37Å; R1104-S1107 PolarHBondContact O-N 3.34Å; S1107-A1110 PolarHBondContact O-N 3.13Å; S1107-L1111 WeakPolarHBondContact O-CB 3.45Å; S1107-L1111 PolarHBondContact O-N 3.48Å; S1107-K1140 PolarHBondContact OG-NZ 3.45Å; S1107-K1140 VanDerWaalsContact OG-NZ 3.12Å
1108D91.1Very high89.6Confident84 Ų8459 Ų5945%0.44932%0.316SS..Hα-helixtrans-69.8-36.4-176.3-69.6-17.2000111.8R1104 S1105 L1111 G1112R1104-D1108 WeakPolarHBondContact O-CB 3.43Å; R1104-D1108 VanDerWaalsContact O-CG 3.25Å; R1104-D1108 PolarHBondContact O-N 3.39Å; S1105-D1108 PolarHBondContact O-N 3.25Å; D1108-L1111 WeakPolarHBondContact O-CB 3.42Å; D1108-L1111 PolarHBondContact O-N 3.08Å; D1108-G1112 PolarHBondContact O-N 3.28Å
1109K92.6Very high89.8Confident168 Ų16857.8 Ų57.873%0.7332%0.315SS*.Hα-helixtrans-63-47.9172.8-174.3-179178.6-175.20111.1S1105 L1111 G1112 A1113S1105-K1109 WeakPolarHBondContact O-CB 3.36Å; S1105-K1109 PolarHBondContact O-N 3.35Å; K1109-L1111 VanDerWaalsContact C-N 3.32Å; K1109-L1111 PolarHBondContact O-N 2.66Å; K1109-G1112 PolarHBondContact O-N 2.98Å; K1109-A1113 PolarHBondContact O-N 2.63Å
1110A93.7Very high90Very high1 Ų163.2 Ų63.21%0.00834%0.34CS..Hα-helixtrans-63-39.6176.900000111.6E222 N225 M1106 S1107 G1112 A1113 L1114E222-A1110 WeakPolarHBondContact OE2-CA 3.47Å; E222-A1110 WeakPolarHBondContact OE2-CB 3.48Å; N225-A1110 HydrophobicContact CB-CB 4.09Å; M1106-A1110 WeakPolarHBondContact O-CB 3.4Å; M1106-A1110 PolarHBondContact O-N 3.35Å; S1107-A1110 PolarHBondContact O-N 3.13Å; A1110-G1112 VanDerWaalsContact C-N 3.31Å; A1110-G1112 PolarHBondContact O-N 2.96Å; A1110-A1113 PolarHBondContact O-N 3.23Å; A1110-L1114 WeakPolarHBondContact O-CB 3.47Å; A1110-L1114 VanDerWaalsContact O-CG 3.24Å; A1110-L1114 WeakPolarHBondContact O-CG 3.14Å; A1110-L1114 PolarHBondContact O-N 3Å
1111L94.1Very high90.5Very high15 Ų1562.8 Ų62.88%0.07933%0.332CS..Hα-helixtrans-58.5-41.7174.3178.361.5000112.1Y226 S1107 D1108 K1109 L1114 R1115 L1128 E1132Y226-L1111 HydrophobicContact CD2-CB 4.13Å; Y226-L1111 HydrophobicContact CE2-CB 4.03Å; Y226-L1111 HydrophobicContact CE2-CD1 4.16Å; Y226-L1111 HydrophobicContact CE2-CD2 4.49Å; Y226-L1111 HydrophobicContact CE2-CG 4.46Å; S1107-L1111 WeakPolarHBondContact O-CB 3.45Å; S1107-L1111 PolarHBondContact O-N 3.48Å; D1108-L1111 WeakPolarHBondContact O-CB 3.42Å; D1108-L1111 PolarHBondContact O-N 3.08Å; K1109-L1111 VanDerWaalsContact C-N 3.32Å; K1109-L1111 PolarHBondContact O-N 2.66Å; L1111-L1114 PolarHBondContact O-N 2.95Å; L1111-R1115 WeakPolarHBondContact O-CG 3.3Å; L1111-R1115 PolarHBondContact O-N 3.08Å; L1111-L1128 HydrophobicContact CD1-CD1 3.65Å; L1111-L1128 HydrophobicContact CD1-CD2 4.22Å; L1111-L1128 HydrophobicContact CD1-CG 3.96Å; L1111-E1132 HydrophobicContact CD1-CG 4.16Å; L1111-E1132 HydrophobicContact CD2-CG 4.12Å
1112G92.8Very high90.9Very high33 Ų3363.8 Ų63.834%0.3433%0.333SS..Hα-helixtrans-59.3-46.1174.500000112.8D1108 K1109 A1110 R1115D1108-G1112 PolarHBondContact O-N 3.28Å; K1109-G1112 PolarHBondContact O-N 2.98Å; A1110-G1112 VanDerWaalsContact C-N 3.31Å; A1110-G1112 PolarHBondContact O-N 2.96Å; G1112-R1115 PolarHBondContact O-N 3.29Å
1113A93Very high91.3Very high21 Ų2165.4 Ų65.417%0.17434%0.337CS..Hα-helixtrans-66.2-41.517700000112.2E222 K1109 A1110 R1115 L1116 A1117E222-A1113 HydrophobicContact CB-CB 4.47Å; E222-A1113 HydrophobicContact CG-CB 3.8Å; K1109-A1113 PolarHBondContact O-N 2.63Å; A1110-A1113 PolarHBondContact O-N 3.23Å; A1113-R1115 PolarHBondContact O-N 3.41Å; A1113-L1116 PolarHBondContact O-N 2.84Å; A1113-A1117 PolarHBondContact O-N 3.31Å
1114L94.8Very high91.5Very high0 Ų065.4 Ų65.40%034%0.337CS..Hα-helixtrans-61.2-41176.9-73.2169.3000112.2L219 E222 A223 Y226 A1110 L1111 L1116 A1117 V1118 L1128 F1143L219-L1114 HydrophobicContact CD1-CD2 3.82Å; E222-L1114 HydrophobicContact CB-CD2 3.84Å; E222-L1114 HydrophobicContact CB-CG 3.88Å; A223-L1114 HydrophobicContact CB-CD2 4.18Å; Y226-L1114 HydrophobicContact CD1-CD1 3.8Å; Y226-L1114 HydrophobicContact CG-CD1 3.84Å; A1110-L1114 WeakPolarHBondContact O-CB 3.47Å; A1110-L1114 VanDerWaalsContact O-CG 3.24Å; A1110-L1114 WeakPolarHBondContact O-CG 3.14Å; A1110-L1114 PolarHBondContact O-N 3Å; L1111-L1114 PolarHBondContact O-N 2.95Å; L1114-L1116 PolarHBondContact O-N 3.24Å; L1114-A1117 PolarHBondContact O-N 3.5Å; L1114-V1118 HydrophobicContact CB-CG2 4.49Å; L1114-V1118 VanDerWaalsContact O-CB 3.3Å; L1114-V1118 WeakPolarHBondContact O-CB 3.43Å; L1114-V1118 WeakPolarHBondContact O-CG2 3.47Å; L1114-V1118 PolarHBondContact O-N 3.38Å; L1114-L1128 HydrophobicContact CB-CD1 4.38Å; L1114-L1128 HydrophobicContact CB-CD2 3.87Å; L1114-L1128 HydrophobicContact CD1-CD1 4.22Å; L1114-F1143 HydrophobicContact CD1-CE1 3.73Å; L1114-F1143 HydrophobicContact CD1-CZ 4.19Å; L1114-F1143 HydrophobicContact CD2-CE1 4.19Å; L1114-F1143 HydrophobicContact CD2-CZ 4.08Å
1115R94.1Very high91.9Very high125 Ų12564.3 Ų64.347%0.47233%0.333SS..Hα-helixtrans-57.5-34177.3-75.7173.1179.7161-3.5112.8L1111 G1112 A1113 L1128 E1132L1111-R1115 WeakPolarHBondContact O-CG 3.3Å; L1111-R1115 PolarHBondContact O-N 3.08Å; G1112-R1115 PolarHBondContact O-N 3.29Å; A1113-R1115 PolarHBondContact O-N 3.41Å; R1115-L1128 HydrophobicContact CG-CD2 4.01Å; R1115-E1132 IonicContact CZ-OE1 3.21Å; R1115-E1132 IonicContact NE-OE1 3.14Å; R1115-E1132 PolarHBondContact NE-OE1 3.08Å; R1115-E1132 VanDerWaalsContact NE-OE1 3.15Å; R1115-E1132 IonicContact NH2-OE1 3.05Å; R1115-E1132 PolarHBondContact NH2-OE1 2.9Å; R1115-E1132 IonicContact NH2-OE2 2.89Å; R1115-E1132 PolarHBondContact NH2-OE2 2.9Å
1116L91.5Very high92Very high142 Ų14264.9 Ų64.974%0.74333%0.33SS*.Hα-helixtrans-77.7-47175.5-62.9173.7000111.4A1113 L1114 V1118 A1119A1113-L1116 PolarHBondContact O-N 2.84Å; L1114-L1116 PolarHBondContact O-N 3.24Å; L1116-V1118 PolarHBondContact O-N 2.86Å; L1116-A1119 VanDerWaalsContact O-CB 3.31Å; L1116-A1119 WeakPolarHBondContact O-CB 3.12Å; L1116-A1119 PolarHBondContact O-N 2.93Å
1117A90Very high92.2Very high21 Ų2163.9 Ų63.917%0.17433%0.327CS..Hα-helixtrans-62.5-27-178.800000113.3L215 L219 A1113 L1114L215-A1117 HydrophobicContact CD1-CB 4.16Å; L219-A1117 HydrophobicContact CD1-CB 4.15Å; A1113-A1117 PolarHBondContact O-N 3.31Å; L1114-A1117 PolarHBondContact O-N 3.5Å
1118V91.8Very high92.4Very high2 Ų263.9 Ų63.91%0.01233%0.327CS..THydrogen-bonded Turntrans-101.40.7-175.4-161.20000111.6L219 L1114 L1116 D1120 N1121 L1124 R1125 L1128 F1143L219-V1118 HydrophobicContact CD1-CG2 3.7Å; L1114-V1118 HydrophobicContact CB-CG2 4.49Å; L1114-V1118 VanDerWaalsContact O-CB 3.3Å; L1114-V1118 WeakPolarHBondContact O-CB 3.43Å; L1114-V1118 WeakPolarHBondContact O-CG2 3.47Å; L1114-V1118 PolarHBondContact O-N 3.38Å; L1116-V1118 PolarHBondContact O-N 2.86Å; V1118-D1120 PolarHBondContact O-N 3.08Å; V1118-N1121 HydrophobicContact CG1-CB 4.16Å; V1118-N1121 PolarHBondContact O-N 2.62Å; V1118-L1124 VanDerWaalsContact CG1-C 3.5Å; V1118-L1124 HydrophobicContact CG1-CB 3.08Å; V1118-L1124 HydrophobicContact CG1-CD1 4.11Å; V1118-L1124 HydrophobicContact CG1-CG 4.25Å; V1118-R1125 HydrophobicContact CB-CG 4.4Å; V1118-R1125 HydrophobicContact CG1-CG 4.18Å; V1118-R1125 WeakPolarHBondContact O-CG 3.47Å; V1118-L1128 HydrophobicContact CG2-CD2 4.45Å; V1118-F1143 HydrophobicContact CG2-CZ 4.44Å
1119A87.8Confident92.5Very high37 Ų3768.8 Ų68.831%0.30634%0.339SS..THydrogen-bonded Turntrans-53.1-32.7-17000000114.5L1116 R1125L1116-A1119 VanDerWaalsContact O-CB 3.31Å; L1116-A1119 WeakPolarHBondContact O-CB 3.12Å; L1116-A1119 PolarHBondContact O-N 2.93Å; A1119-R1125 PolarHBondContact O-NE 3.17Å; A1119-R1125 PolarHBondContact O-NH1 3.39Å; A1119-R1125 PolarHBondContact O-NH2 3.3Å
1120D85.5Confident92.5Very high168 Ų16865.6 Ų65.690%0.89833%0.328SS*.THydrogen-bonded Turntrans-95-2.8-178.3-59.9-37.1000113.8V1118V1118-D1120 PolarHBondContact O-N 3.08Å
1121N89.5Confident92.5Very high35 Ų3565.6 Ų65.619%0.18733%0.328CS..  trans-107.2109.1176.6-172.1-37.7000110.3V1118 H1123 L1124 R1125 H1150V1118-N1121 HydrophobicContact CG1-CB 4.16Å; V1118-N1121 PolarHBondContact O-N 2.62Å; N1121-H1123 PolarHBondContact OD1-N 3.34Å; N1121-H1123 VanDerWaalsContact OD1-N 3.1Å; N1121-L1124 HydrophobicContact CB-CB 4.2Å; N1121-L1124 HydrophobicContact CB-CD1 4.42Å; N1121-L1124 PolarHBondContact OD1-N 3.14Å; N1121-R1125 WeakPolarHBondContact O-CB 3.46Å; N1121-R1125 WeakPolarHBondContact O-CG 3.31Å; N1121-R1125 PolarHBondContact O-N 3.5Å; N1121-R1125 VanDerWaalsContact O-N 3.1Å; N1121-R1125 PolarHBondContact O-NE 2.86Å; N1121-H1150 PolarHBondContact ND2-CE1 3.45Å; N1121-H1150 PolarHBondContact ND2-ND1 2.85Å
1122E91.2Very high92.3Very high141 Ų14168.4 Ų68.466%0.65934%0.34SS*.Hα-helixtrans-61.5-49179.4-172.4175-174.500112.4R1125 D1126E1122-R1125 PolarHBondContact O-N 3Å; E1122-D1126 PolarHBondContact O-N 2.75Å
1123H93.6Very high92Very high118 Ų11869.4 Ų69.455%0.54634%0.338SS..Hα-helixtrans-61.5-51.2-177.6179.159000112.3N1121 R1125 D1126 V1127N1121-H1123 PolarHBondContact OD1-N 3.34Å; N1121-H1123 VanDerWaalsContact OD1-N 3.1Å; H1123-R1125 VanDerWaalsContact C-N 3.3Å; H1123-R1125 PolarHBondContact O-N 3.41Å; H1123-D1126 PolarHBondContact O-N 3.37Å; H1123-V1127 WeakPolarHBondContact O-CG2 3.09Å; H1123-V1127 PolarHBondContact O-N 3.12Å
1124L94.6Very high91.3Very high1 Ų173 Ų731%0.00536%0.36CS..Hα-helixtrans-66.7-31.8-179.8-72.1-178000112L219 V1118 N1121 L1128 A1146 V1147 H1150L219-L1124 HydrophobicContact CD2-CD1 4.29Å; V1118-L1124 VanDerWaalsContact CG1-C 3.5Å; V1118-L1124 HydrophobicContact CG1-CB 3.08Å; V1118-L1124 HydrophobicContact CG1-CD1 4.11Å; V1118-L1124 HydrophobicContact CG1-CG 4.25Å; N1121-L1124 HydrophobicContact CB-CB 4.2Å; N1121-L1124 HydrophobicContact CB-CD1 4.42Å; N1121-L1124 PolarHBondContact OD1-N 3.14Å; L1124-L1128 WeakPolarHBondContact O-CB 3.27Å; L1124-L1128 PolarHBondContact O-N 3.34Å; L1124-A1146 HydrophobicContact CD2-CB 3.71Å; L1124-V1147 HydrophobicContact CD2-CG2 4.15Å; L1124-H1150 HydrophobicContact CD1-CB 3.88Å; L1124-H1150 HydrophobicContact CD2-CB 4.32Å; L1124-H1150 HydrophobicContact CG-CB 4.34Å
1125R94.4Very high90.6Very high110 Ų11081.5 Ų81.542%0.41540%0.397SS..Hα-helixtrans-62.8-45.4172.6-92.4-178.2-63.1175.41.2111.9V1118 A1119 N1121 E1122 H1123 L1128 R1129V1118-R1125 HydrophobicContact CB-CG 4.4Å; V1118-R1125 HydrophobicContact CG1-CG 4.18Å; V1118-R1125 WeakPolarHBondContact O-CG 3.47Å; A1119-R1125 PolarHBondContact O-NE 3.17Å; A1119-R1125 PolarHBondContact O-NH1 3.39Å; A1119-R1125 PolarHBondContact O-NH2 3.3Å; N1121-R1125 WeakPolarHBondContact O-CB 3.46Å; N1121-R1125 WeakPolarHBondContact O-CG 3.31Å; N1121-R1125 PolarHBondContact O-N 3.5Å; N1121-R1125 VanDerWaalsContact O-N 3.1Å; N1121-R1125 PolarHBondContact O-NE 2.86Å; E1122-R1125 PolarHBondContact O-N 3Å; H1123-R1125 VanDerWaalsContact C-N 3.3Å; H1123-R1125 PolarHBondContact O-N 3.41Å; R1125-L1128 PolarHBondContact O-N 3.09Å; R1125-R1129 WeakPolarHBondContact O-CB 3.37Å; R1125-R1129 PolarHBondContact O-N 3.16Å
1126D94Very high90.1Very high88 Ų8881.5 Ų81.547%0.47140%0.397SS..Hα-helixtrans-64.9-45.3180-75-16.1000110.9E1122 H1123 L1128 R1129 M1130E1122-D1126 PolarHBondContact O-N 2.75Å; H1123-D1126 PolarHBondContact O-N 3.37Å; D1126-L1128 PolarHBondContact O-N 3.43Å; D1126-R1129 PolarHBondContact O-N 3.08Å; D1126-M1130 VanDerWaalsContact O-CG 3.24Å; D1126-M1130 WeakPolarHBondContact O-CG 3.23Å; D1126-M1130 PolarHBondContact O-N 2.62Å
1127V94.9Very high89.8Confident29 Ų2975.4 Ų75.418%0.17637%0.366CS..Hα-helixtrans-64.2-40.5176.5-176.80000111.1H1123 M1130 S1131 F1143 A1146H1123-V1127 WeakPolarHBondContact O-CG2 3.09Å; H1123-V1127 PolarHBondContact O-N 3.12Å; V1127-M1130 PolarHBondContact O-N 2.93Å; V1127-S1131 WeakPolarHBondContact O-CB 3.48Å; V1127-S1131 PolarHBondContact O-N 2.89Å; V1127-F1143 HydrophobicContact CB-CD2 4.42Å; V1127-F1143 HydrophobicContact CG1-CB 3.91Å; V1127-F1143 HydrophobicContact CG1-CD2 4.24Å; V1127-A1146 HydrophobicContact CG1-CB 4.25Å
1128L95.6Very high89.8Confident3 Ų376.3 Ų76.32%0.01637%0.366CS..Hα-helixtrans-60.4-49.2175.2-177.162000110.9Y226 L1111 L1114 R1115 V1118 L1124 R1125 D1126 M1130 S1131 E1132 F1143Y226-L1128 HydrophobicContact CD1-CD1 4.45Å; Y226-L1128 HydrophobicContact CE1-CD1 3.92Å; L1111-L1128 HydrophobicContact CD1-CD1 3.65Å; L1111-L1128 HydrophobicContact CD1-CD2 4.22Å; L1111-L1128 HydrophobicContact CD1-CG 3.96Å; L1114-L1128 HydrophobicContact CB-CD1 4.38Å; L1114-L1128 HydrophobicContact CB-CD2 3.87Å; L1114-L1128 HydrophobicContact CD1-CD1 4.22Å; R1115-L1128 HydrophobicContact CG-CD2 4.01Å; V1118-L1128 HydrophobicContact CG2-CD2 4.45Å; L1124-L1128 WeakPolarHBondContact O-CB 3.27Å; L1124-L1128 PolarHBondContact O-N 3.34Å; R1125-L1128 PolarHBondContact O-N 3.09Å; D1126-L1128 PolarHBondContact O-N 3.43Å; L1128-M1130 VanDerWaalsContact C-N 3.3Å; L1128-M1130 PolarHBondContact O-N 3.28Å; L1128-S1131 WeakPolarHBondContact O-CA 3.42Å; L1128-S1131 WeakPolarHBondContact O-CB 3.31Å; L1128-S1131 PolarHBondContact O-N 3.37Å; L1128-S1131 PolarHBondContact O-OG 2.93Å; L1128-E1132 PolarHBondContact O-N 3.45Å; L1128-F1143 HydrophobicContact CB-CD2 3.76Å; L1128-F1143 HydrophobicContact CB-CE2 3.63Å; L1128-F1143 HydrophobicContact CB-CZ 4.33Å; L1128-F1143 HydrophobicContact CD1-CD1 4.02Å; L1128-F1143 HydrophobicContact CD1-CD2 4.03Å; L1128-F1143 HydrophobicContact CD1-CE1 3.83Å; L1128-F1143 HydrophobicContact CD1-CE2 3.84Å; L1128-F1143 HydrophobicContact CD1-CG 4.12Å; L1128-F1143 HydrophobicContact CD1-CZ 3.73Å; L1128-F1143 HydrophobicContact CG-CE2 4.22Å; L1128-F1143 HydrophobicContact CG-CZ 4.44Å
1129R93.1Very high89.8Confident186 Ų18679.1 Ų79.170%0.70238%0.377SS*.Hα-helixtrans-59.2-41.7178.9-175.3-179.2178.9-178.40.7111.8R1125 D1126 S1131 E1132R1125-R1129 WeakPolarHBondContact O-CB 3.37Å; R1125-R1129 PolarHBondContact O-N 3.16Å; D1126-R1129 PolarHBondContact O-N 3.08Å; R1129-S1131 PolarHBondContact O-N 3.46Å; R1129-E1132 PolarHBondContact O-N 3.39Å
1130M92.4Very high90.1Very high101 Ų10178.2 Ų78.250%0.49837%0.366SS..Hα-helixtrans-67.1-27.6177-68.5-59.5-70.600112.7D1126 V1127 L1128 E1132 R1139D1126-M1130 VanDerWaalsContact O-CG 3.24Å; D1126-M1130 WeakPolarHBondContact O-CG 3.23Å; D1126-M1130 PolarHBondContact O-N 2.62Å; V1127-M1130 PolarHBondContact O-N 2.93Å; L1128-M1130 VanDerWaalsContact C-N 3.3Å; L1128-M1130 PolarHBondContact O-N 3.28Å; M1130-E1132 VanDerWaalsContact C-N 3.29Å; M1130-E1132 PolarHBondContact O-N 2.9Å; M1130-R1139 WeakPolarHBondContact O-CD 3.45Å; M1130-R1139 PolarHBondContact O-NH1 3.04Å
1131S93.1Very high90.4Very high1 Ų170.4 Ų70.41%0.00732%0.324CS..Hα-helixtrans-74-14.8178.483.90000114.7Y226 V1127 L1128 R1129 D1133 R1139 K1140Y226-S1131 WeakPolarHBondContact CE1-OG 3.44Å; Y226-S1131 PolarHBondContact OH-O 3.28Å; Y226-S1131 PolarHBondContact OH-OG 3.21Å; V1127-S1131 WeakPolarHBondContact O-CB 3.48Å; V1127-S1131 PolarHBondContact O-N 2.89Å; L1128-S1131 WeakPolarHBondContact O-CA 3.42Å; L1128-S1131 WeakPolarHBondContact O-CB 3.31Å; L1128-S1131 PolarHBondContact O-N 3.37Å; L1128-S1131 PolarHBondContact O-OG 2.93Å; R1129-S1131 PolarHBondContact O-N 3.46Å; S1131-D1133 PolarHBondContact O-N 3.16Å; S1131-R1139 WeakPolarHBondContact CB-O 3.37Å; S1131-K1140 WeakPolarHBondContact O-CG 3.42Å
1132E90.5Very high90.6Very high74 Ų7473.1 Ų73.135%0.34634%0.336SS..THydrogen-bonded Turntrans-72.5-15.1-178.4-58.9-175.5-174.600113.1L1111 R1115 L1128 R1129 M1130 P1134L1111-E1132 HydrophobicContact CD1-CG 4.16Å; L1111-E1132 HydrophobicContact CD2-CG 4.12Å; R1115-E1132 IonicContact CZ-OE1 3.21Å; R1115-E1132 IonicContact NE-OE1 3.14Å; R1115-E1132 PolarHBondContact NE-OE1 3.08Å; R1115-E1132 VanDerWaalsContact NE-OE1 3.15Å; R1115-E1132 IonicContact NH2-OE1 3.05Å; R1115-E1132 PolarHBondContact NH2-OE1 2.9Å; R1115-E1132 IonicContact NH2-OE2 2.89Å; R1115-E1132 PolarHBondContact NH2-OE2 2.9Å; L1128-E1132 PolarHBondContact O-N 3.45Å; R1129-E1132 PolarHBondContact O-N 3.39Å; M1130-E1132 VanDerWaalsContact C-N 3.29Å; M1130-E1132 PolarHBondContact O-N 2.9Å; E1132-P1134 VanDerWaalsContact O-CD 3.25Å; E1132-P1134 WeakPolarHBondContact O-CD 3.4Å
1133D86Confident90.8Very high54 Ų5466.4 Ų66.429%0.28930%0.304SS..  trans-70.3110.8-179.1-178.33.2000111.8S1131 K1135 R1136 R1139S1131-D1133 PolarHBondContact O-N 3.16Å; D1133-K1135 PolarHBondContact O-N 3.5Å; D1133-K1135 VanDerWaalsContact O-N 3.09Å; D1133-K1135 WeakPolarHBondContact OD1-CB 3.35Å; D1133-K1135 PolarHBondContact OD1-N 3.4Å; D1133-R1136 PolarHBondContact O-N 3.24Å; D1133-R1136 VanDerWaalsContact O-N 3.12Å; D1133-R1139 IonicContact OD2-NH1 3.67Å; D1133-R1139 PolarHBondContact OD2-NH1 3.08Å
1134P78.4Confident90.8Very high98 Ų9860.8 Ų60.864%0.63628%0.278SS*.THydrogen-bonded Turntrans-67.5-13.2-17729.1-35.7000113.4E1132 R1136E1132-P1134 VanDerWaalsContact O-CD 3.25Å; E1132-P1134 WeakPolarHBondContact O-CD 3.4Å; P1134-R1136 VanDerWaalsContact C-N 3.29Å
1135K79.8Confident90.6Very high177 Ų17762.3 Ų62.377%0.7729%0.288SS*.THydrogen-bonded Turntrans-79.9-10.5177-62.2179.9178.8178.50113.2D1133D1133-K1135 PolarHBondContact O-N 3.5Å; D1133-K1135 VanDerWaalsContact O-N 3.09Å; D1133-K1135 WeakPolarHBondContact OD1-CB 3.35Å; D1133-K1135 PolarHBondContact OD1-N 3.4Å
1136R84.5Confident90.6Very high125 Ų12557.7 Ų57.747%0.47227%0.273SS..  trans-133.565.2-171.8-65.2-75-174-133.10.7110.7D1133 P1134 E1138 R1139D1133-R1136 PolarHBondContact O-N 3.24Å; D1133-R1136 VanDerWaalsContact O-N 3.12Å; P1134-R1136 VanDerWaalsContact C-N 3.29Å; R1136-E1138 VanDerWaalsContact C-OE2 3.3Å; R1136-E1138 WeakPolarHBondContact CD-OE1 3.49Å; R1136-E1138 PolarHBondContact O-N 3.24Å; R1136-E1138 VanDerWaalsContact O-N 3.15Å; R1136-R1139 HydrophobicContact CB-CG 3.97Å; R1136-R1139 WeakPolarHBondContact O-CB 3.27Å; R1136-R1139 PolarHBondContact O-N 3.03Å
1137P85.8Confident90.5Very high15 Ų1553.5 Ų53.510%0.09725%0.25CS..THydrogen-bonded Turntrans-61.5-25.9-174.128.1-37.6000113.9H234 V1077 R1139 K1140H234-P1137 VanDerWaalsContact NE2-CB 3.27Å; H234-P1137 WeakPolarHBondContact NE2-CB 3.45Å; V1077-P1137 HydrophobicContact CG2-CB 4Å; V1077-P1137 HydrophobicContact CG2-CG 4.07Å; P1137-R1139 PolarHBondContact O-N 3.32Å; P1137-R1139 VanDerWaalsContact O-N 3.16Å; P1137-K1140 PolarHBondContact O-N 3.23Å; P1137-K1140 VanDerWaalsContact O-N 3.17Å
1138E89.2Confident90.2Very high39 Ų3953.3 Ų53.318%0.18225%0.246CC..Hα-helixtrans-55.9-29.8172.466-81.9-171.800112.6A1076 V1077 M1080 R1136 K1140 I1141 Q1142A1076-E1138 HydrophobicContact CB-CB 4.47Å; V1077-E1138 HydrophobicContact CG2-CB 4.4Å; M1080-E1138 HydrophobicContact CE-CB 3.88Å; M1080-E1138 WeakPolarHBondContact CE-O 3.34Å; R1136-E1138 VanDerWaalsContact C-OE2 3.3Å; R1136-E1138 WeakPolarHBondContact CD-OE1 3.49Å; R1136-E1138 PolarHBondContact O-N 3.24Å; R1136-E1138 VanDerWaalsContact O-N 3.15Å; E1138-K1140 VanDerWaalsContact C-N 3.27Å; E1138-K1140 PolarHBondContact O-N 2.83Å; E1138-I1141 WeakPolarHBondContact O-CB 3.48Å; E1138-I1141 PolarHBondContact O-N 3.15Å; E1138-Q1142 PolarHBondContact O-N 3.16Å
1139R92.2Very high89.8Confident61 Ų6158.3 Ų58.323%0.2327%0.27CS..Hα-helixtrans-66.9-25.7-179.4-67.4-177.6178.6163.5-0.9113.6M1130 S1131 D1133 R1136 P1137 I1141 Q1142 F1143M1130-R1139 WeakPolarHBondContact O-CD 3.45Å; M1130-R1139 PolarHBondContact O-NH1 3.04Å; S1131-R1139 WeakPolarHBondContact CB-O 3.37Å; D1133-R1139 IonicContact OD2-NH1 3.67Å; D1133-R1139 PolarHBondContact OD2-NH1 3.08Å; R1136-R1139 HydrophobicContact CB-CG 3.97Å; R1136-R1139 WeakPolarHBondContact O-CB 3.27Å; R1136-R1139 PolarHBondContact O-N 3.03Å; P1137-R1139 PolarHBondContact O-N 3.32Å; P1137-R1139 VanDerWaalsContact O-N 3.16Å; R1139-I1141 VanDerWaalsContact C-N 3.34Å; R1139-Q1142 WeakPolarHBondContact O-CB 3.48Å; R1139-Q1142 PolarHBondContact O-N 3.23Å; R1139-F1143 PolarHBondContact O-N 3.08Å
1140K93.3Very high89.7Confident18 Ų1850.9 Ų50.98%0.07824%0.243CC..Hα-helixtrans-66.8-37.6171.4-69.9-163.4-173.1-177.50111.9Y226 V227 D230 S1107 S1131 P1137 E1138 Q1142 F1143 F1144Y226-K1140 HydrophobicContact CE1-CB 4.44Å; Y226-K1140 HydrophobicContact CE1-CD 3.97Å; Y226-K1140 HydrophobicContact CE1-CG 3.95Å; Y226-K1140 HydrophobicContact CE2-CD 3.94Å; Y226-K1140 VanDerWaalsContact OH-CE 3.31Å; Y226-K1140 WeakPolarHBondContact OH-CE 3.34Å; V227-K1140 HydrophobicContact CG2-CB 4.39Å; V227-K1140 WeakPolarHBondContact CG2-O 3.45Å; D230-K1140 HydrophobicContact CB-CD 3.67Å; D230-K1140 IonicContact OD1-NZ 2.92Å; D230-K1140 PolarHBondContact OD1-NZ 3.43Å; D230-K1140 WeakPolarHBondContact OD2-CD 3.45Å; D230-K1140 IonicContact OD2-NZ 3.87Å; S1107-K1140 PolarHBondContact OG-NZ 3.45Å; S1107-K1140 VanDerWaalsContact OG-NZ 3.12Å; S1131-K1140 WeakPolarHBondContact O-CG 3.42Å; P1137-K1140 PolarHBondContact O-N 3.23Å; P1137-K1140 VanDerWaalsContact O-N 3.17Å; E1138-K1140 VanDerWaalsContact C-N 3.27Å; E1138-K1140 PolarHBondContact O-N 2.83Å; K1140-Q1142 VanDerWaalsContact C-N 3.34Å; K1140-F1143 PolarHBondContact O-N 3.44Å; K1140-F1144 PolarHBondContact O-N 2.93Å
1141I92.6Very high89.4Confident4 Ų446 Ų462%0.02122%0.219CC..Hα-helixtrans-66.2-39172.9-52.4-54.1000110.3V227 V1077 M1080 V1081 L1090 E1138 R1139 F1143 F1144 V1145V227-I1141 HydrophobicContact CG1-CD1 3.44Å; V227-I1141 VanDerWaalsContact CG1-CD1 3.44Å; V1077-I1141 HydrophobicContact CG1-CD1 4.18Å; V1077-I1141 HydrophobicContact CG1-CG1 3.98Å; M1080-I1141 HydrophobicContact CB-CG2 4.15Å; M1080-I1141 HydrophobicContact CE-CB 3.45Å; M1080-I1141 VanDerWaalsContact CE-CB 3.45Å; M1080-I1141 HydrophobicContact CE-CG1 4.38Å; M1080-I1141 HydrophobicContact CE-CG2 3.68Å; M1080-I1141 HydrophobicContact CG-CG2 3.93Å; V1081-I1141 HydrophobicContact CG2-CD1 3.69Å; V1081-I1141 HydrophobicContact CG2-CG1 3.98Å; V1081-I1141 HydrophobicContact CG2-CG2 4.07Å; L1090-I1141 HydrophobicContact CD1-CD1 3.62Å; E1138-I1141 WeakPolarHBondContact O-CB 3.48Å; E1138-I1141 PolarHBondContact O-N 3.15Å; R1139-I1141 VanDerWaalsContact C-N 3.34Å; I1141-F1143 VanDerWaalsContact C-N 3.34Å; I1141-F1143 PolarHBondContact O-N 3.42Å; I1141-F1144 WeakPolarHBondContact O-CB 3.36Å; I1141-F1144 PolarHBondContact O-N 3.41Å; I1141-V1145 HydrophobicContact CG2-CG2 4.48Å; I1141-V1145 WeakPolarHBondContact O-CG2 3.47Å; I1141-V1145 PolarHBondContact O-N 2.91Å
1142Q93.1Very high88.9Confident93 Ų9353 Ų5344%0.43525%0.245SC..Hα-helixtrans-60.2-43174.1-79166.44.400112.1M1080 E1138 R1139 K1140 F1144 V1145 A1146M1080-Q1142 HydrophobicContact CE-CB 4.46Å; M1080-Q1142 HydrophobicContact CE-CG 3.63Å; M1080-Q1142 HydrophobicContact SD-CG 3.9Å; E1138-Q1142 PolarHBondContact O-N 3.16Å; R1139-Q1142 WeakPolarHBondContact O-CB 3.48Å; R1139-Q1142 PolarHBondContact O-N 3.23Å; K1140-Q1142 VanDerWaalsContact C-N 3.34Å; Q1142-F1144 VanDerWaalsContact C-N 3.34Å; Q1142-F1144 PolarHBondContact O-N 3.03Å; Q1142-V1145 PolarHBondContact O-N 3.47Å; Q1142-A1146 WeakPolarHBondContact O-CB 3.5Å; Q1142-A1146 PolarHBondContact O-N 2.93Å
1143F95Very high88.6Confident0 Ų056.1 Ų56.10%026%0.26CS..Hα-helixtrans-59.2-45.6173.1173.6-103.5000111.8A223 Y226 L1114 V1118 V1127 L1128 R1139 K1140 I1141 V1145 A1146 V1147A223-F1143 HydrophobicContact CB-CE1 4.08Å; Y226-F1143 AromaticContact CD1-CD1 3.97Å; Y226-F1143 HydrophobicContact CD1-CD1 3.97Å; Y226-F1143 HydrophobicContact CD1-CE1 4.22Å; Y226-F1143 HydrophobicContact CE1-CD1 4.07Å; L1114-F1143 HydrophobicContact CD1-CE1 3.73Å; L1114-F1143 HydrophobicContact CD1-CZ 4.19Å; L1114-F1143 HydrophobicContact CD2-CE1 4.19Å; L1114-F1143 HydrophobicContact CD2-CZ 4.08Å; V1118-F1143 HydrophobicContact CG2-CZ 4.44Å; V1127-F1143 HydrophobicContact CB-CD2 4.42Å; V1127-F1143 HydrophobicContact CG1-CB 3.91Å; V1127-F1143 HydrophobicContact CG1-CD2 4.24Å; L1128-F1143 HydrophobicContact CB-CD2 3.76Å; L1128-F1143 HydrophobicContact CB-CE2 3.63Å; L1128-F1143 HydrophobicContact CB-CZ 4.33Å; L1128-F1143 HydrophobicContact CD1-CD1 4.02Å; L1128-F1143 HydrophobicContact CD1-CD2 4.03Å; L1128-F1143 HydrophobicContact CD1-CE1 3.83Å; L1128-F1143 HydrophobicContact CD1-CE2 3.84Å; L1128-F1143 HydrophobicContact CD1-CG 4.12Å; L1128-F1143 HydrophobicContact CD1-CZ 3.73Å; L1128-F1143 HydrophobicContact CG-CE2 4.22Å; L1128-F1143 HydrophobicContact CG-CZ 4.44Å; R1139-F1143 PolarHBondContact O-N 3.08Å; K1140-F1143 PolarHBondContact O-N 3.44Å; I1141-F1143 VanDerWaalsContact C-N 3.34Å; I1141-F1143 PolarHBondContact O-N 3.42Å; F1143-V1145 VanDerWaalsContact C-N 3.34Å; F1143-V1145 PolarHBondContact O-N 2.77Å; F1143-A1146 PolarHBondContact O-N 3.41Å; F1143-V1147 HydrophobicContact CD1-CG2 4.35Å; F1143-V1147 HydrophobicContact CD2-CG2 4.34Å; F1143-V1147 HydrophobicContact CE1-CG2 3.75Å; F1143-V1147 HydrophobicContact CE2-CG2 3.74Å; F1143-V1147 HydrophobicContact CZ-CG2 3.41Å; F1143-V1147 VanDerWaalsContact CZ-CG2 3.41Å; F1143-V1147 WeakPolarHBondContact O-CG2 3.41Å; F1143-V1147 PolarHBondContact O-N 3.11Å
1144F93.8Very high88.5Confident0 Ų058.3 Ų58.30%026%0.264CS..Hα-helixtrans-57.1-47.4176.3-161.6-115.4000112A223 V227 V1086 L1090 K1140 I1141 Q1142 A1146 V1147 Y1148A223-F1144 HydrophobicContact CB-CD2 4.04Å; A223-F1144 HydrophobicContact CB-CE2 4.25Å; V227-F1144 HydrophobicContact CB-CB 4.47Å; V227-F1144 HydrophobicContact CB-CD2 4.19Å; V227-F1144 HydrophobicContact CB-CG 4.45Å; V227-F1144 HydrophobicContact CG1-CB 4.24Å; V227-F1144 HydrophobicContact CG1-CG 4.41Å; V227-F1144 HydrophobicContact CG2-CB 3.95Å; V227-F1144 HydrophobicContact CG2-CD2 3.98Å; V227-F1144 HydrophobicContact CG2-CG 4.28Å; V1086-F1144 HydrophobicContact CB-CD1 4.12Å; V1086-F1144 HydrophobicContact CB-CE1 3.9Å; V1086-F1144 HydrophobicContact CG1-CD1 3.93Å; V1086-F1144 HydrophobicContact CG1-CE1 3.8Å; V1086-F1144 HydrophobicContact CG2-CD1 4.38Å; L1090-F1144 HydrophobicContact CD2-CD1 4.2Å; L1090-F1144 HydrophobicContact CD2-CE1 3.94Å; L1090-F1144 HydrophobicContact CD2-CE2 4.29Å; L1090-F1144 HydrophobicContact CD2-CG 4.46Å; L1090-F1144 HydrophobicContact CD2-CZ 3.96Å; L1090-F1144 HydrophobicContact CG-CE1 4.33Å; K1140-F1144 PolarHBondContact O-N 2.93Å; I1141-F1144 WeakPolarHBondContact O-CB 3.36Å; I1141-F1144 PolarHBondContact O-N 3.41Å; Q1142-F1144 VanDerWaalsContact C-N 3.34Å; Q1142-F1144 PolarHBondContact O-N 3.03Å; F1144-A1146 VanDerWaalsContact C-N 3.34Å; F1144-A1146 PolarHBondContact O-N 3.04Å; F1144-V1147 PolarHBondContact O-N 2.96Å; F1144-Y1148 HydrophobicContact CD1-CD2 4.13Å; F1144-Y1148 AromaticContact CD1-CE2 3.97Å; F1144-Y1148 HydrophobicContact CD1-CE2 3.97Å; F1144-Y1148 HydrophobicContact CD2-CE2 4.41Å; F1144-Y1148 AromaticContact CE1-CD2 3.95Å; F1144-Y1148 HydrophobicContact CE1-CD2 3.95Å; F1144-Y1148 AromaticContact CE1-CE2 3.34Å; F1144-Y1148 HydrophobicContact CE1-CE2 3.34Å; F1144-Y1148 HydrophobicContact CE2-CD2 4.49Å; F1144-Y1148 AromaticContact CE2-CE2 3.83Å; F1144-Y1148 HydrophobicContact CE2-CE2 3.83Å; F1144-Y1148 HydrophobicContact CG-CE2 4.48Å; F1144-Y1148 HydrophobicContact CZ-CD2 4.18Å; F1144-Y1148 AromaticContact CZ-CE2 3.29Å; F1144-Y1148 HydrophobicContact CZ-CE2 3.29Å; F1144-Y1148 WeakPolarHBondContact O-CD2 3.48Å; F1144-Y1148 PolarHBondContact O-N 2.78Å
1145V91.7Very high88.6Confident33 Ų3354.1 Ų54.120%0.224%0.236CC..Hα-helixtrans-61.9-42.2177.6173.50000111.1N1084 I1141 Q1142 F1143 V1147 Y1148 Q1149N1084-V1145 HydrophobicContact CB-CG2 3.88Å; I1141-V1145 HydrophobicContact CG2-CG2 4.48Å; I1141-V1145 WeakPolarHBondContact O-CG2 3.47Å; I1141-V1145 PolarHBondContact O-N 2.91Å; Q1142-V1145 PolarHBondContact O-N 3.47Å; F1143-V1145 VanDerWaalsContact C-N 3.34Å; F1143-V1145 PolarHBondContact O-N 2.77Å; V1145-V1147 PolarHBondContact O-N 3.27Å; V1145-Y1148 WeakPolarHBondContact O-CB 3.38Å; V1145-Y1148 PolarHBondContact O-N 2.68Å; V1145-Q1149 PolarHBondContact O-N 3.29Å
1146A93Very high88.3Confident12 Ų1251.2 Ų51.210%0.09922%0.22CC..Hα-helixtrans-62.9-40.2176.900000112.2L1124 V1127 Q1142 F1143 F1144 Q1149 H1150L1124-A1146 HydrophobicContact CD2-CB 3.71Å; V1127-A1146 HydrophobicContact CG1-CB 4.25Å; Q1142-A1146 WeakPolarHBondContact O-CB 3.5Å; Q1142-A1146 PolarHBondContact O-N 2.93Å; F1143-A1146 PolarHBondContact O-N 3.41Å; F1144-A1146 VanDerWaalsContact C-N 3.34Å; F1144-A1146 PolarHBondContact O-N 3.04Å; A1146-Q1149 PolarHBondContact O-N 3.23Å; A1146-H1150 WeakPolarHBondContact O-CB 3.46Å; A1146-H1150 PolarHBondContact O-N 3.31Å
1147V92.9Very high87.8Confident0 Ų049.8 Ų49.80%022%0.219CC..Hα-helixtrans-59.9-46.4173.1168.50000110.6L219 I220 A223 L1124 F1143 F1144 V1145 Q1149 H1150 L1151L219-V1147 HydrophobicContact CD1-CG2 4.49Å; L219-V1147 HydrophobicContact CD2-CG1 3.89Å; L219-V1147 HydrophobicContact CG-CG1 3.81Å; L219-V1147 HydrophobicContact CG-CG2 4.44Å; I220-V1147 HydrophobicContact CD1-CG1 4.48Å; A223-V1147 HydrophobicContact CB-CB 4.47Å; A223-V1147 HydrophobicContact CB-CG1 4.15Å; A223-V1147 HydrophobicContact CB-CG2 4.22Å; L1124-V1147 HydrophobicContact CD2-CG2 4.15Å; F1143-V1147 HydrophobicContact CD1-CG2 4.35Å; F1143-V1147 HydrophobicContact CD2-CG2 4.34Å; F1143-V1147 HydrophobicContact CE1-CG2 3.75Å; F1143-V1147 HydrophobicContact CE2-CG2 3.74Å; F1143-V1147 HydrophobicContact CZ-CG2 3.41Å; F1143-V1147 VanDerWaalsContact CZ-CG2 3.41Å; F1143-V1147 WeakPolarHBondContact O-CG2 3.41Å; F1143-V1147 PolarHBondContact O-N 3.11Å; F1144-V1147 PolarHBondContact O-N 2.96Å; V1145-V1147 PolarHBondContact O-N 3.27Å; V1147-Q1149 VanDerWaalsContact C-N 3.33Å; V1147-Q1149 PolarHBondContact O-N 3.39Å; V1147-H1150 PolarHBondContact O-N 2.92Å; V1147-L1151 HydrophobicContact CG1-CD1 4.03Å; V1147-L1151 HydrophobicContact CG1-CG 4.35Å; V1147-L1151 VanDerWaalsContact O-CG 3.27Å; V1147-L1151 WeakPolarHBondContact O-CG 3.46Å; V1147-L1151 PolarHBondContact O-N 3.17Å
1148Y88.5Confident87.3Confident25 Ų2554.4 Ų54.410%0.09824%0.243CC..Hα-helixtrans-60.3-43.5177.5-94.8-101.8000112.8I220 R1089 F1144 V1145 L1151 R1152 P1165I220-Y1148 HydrophobicContact CD1-CD2 3.95Å; I220-Y1148 HydrophobicContact CD1-CE1 4.5Å; I220-Y1148 HydrophobicContact CD1-CE2 3.28Å; R1089-Y1148 WeakPolarHBondContact CD-OH 3.34Å; R1089-Y1148 VanDerWaalsContact CZ-OH 3.29Å; R1089-Y1148 PolarHBondContact NE-OH 2.81Å; R1089-Y1148 PolarHBondContact NH1-OH 2.84Å; F1144-Y1148 HydrophobicContact CD1-CD2 4.13Å; F1144-Y1148 AromaticContact CD1-CE2 3.97Å; F1144-Y1148 HydrophobicContact CD1-CE2 3.97Å; F1144-Y1148 HydrophobicContact CD2-CE2 4.41Å; F1144-Y1148 AromaticContact CE1-CD2 3.95Å; F1144-Y1148 HydrophobicContact CE1-CD2 3.95Å; F1144-Y1148 AromaticContact CE1-CE2 3.34Å; F1144-Y1148 HydrophobicContact CE1-CE2 3.34Å; F1144-Y1148 HydrophobicContact CE2-CD2 4.49Å; F1144-Y1148 AromaticContact CE2-CE2 3.83Å; F1144-Y1148 HydrophobicContact CE2-CE2 3.83Å; F1144-Y1148 HydrophobicContact CG-CE2 4.48Å; F1144-Y1148 HydrophobicContact CZ-CD2 4.18Å; F1144-Y1148 AromaticContact CZ-CE2 3.29Å; F1144-Y1148 HydrophobicContact CZ-CE2 3.29Å; F1144-Y1148 WeakPolarHBondContact O-CD2 3.48Å; F1144-Y1148 PolarHBondContact O-N 2.78Å; V1145-Y1148 WeakPolarHBondContact O-CB 3.38Å; V1145-Y1148 PolarHBondContact O-N 2.68Å; Y1148-L1151 PolarHBondContact O-N 3.06Å; Y1148-R1152 WeakPolarHBondContact O-CG 3.16Å; Y1148-R1152 PolarHBondContact O-N 3.32Å; Y1148-P1165 HydrophobicContact CD1-CG 4.05Å; Y1148-P1165 HydrophobicContact CE1-CG 4.32Å
1149Q87.9Confident86.5Confident108 Ų10854.2 Ų54.251%0.50524%0.243SC..Hα-helixtrans-63.8-45.7177.9-173.9171.7-7.700111V1145 A1146 V1147 L1151 R1152 E1153V1145-Q1149 PolarHBondContact O-N 3.29Å; A1146-Q1149 PolarHBondContact O-N 3.23Å; V1147-Q1149 VanDerWaalsContact C-N 3.33Å; V1147-Q1149 PolarHBondContact O-N 3.39Å; Q1149-L1151 VanDerWaalsContact C-N 3.33Å; Q1149-L1151 PolarHBondContact O-N 3.46Å; Q1149-R1152 PolarHBondContact O-N 2.98Å; Q1149-E1153 WeakPolarHBondContact CG-OE1 3.35Å; Q1149-E1153 PolarHBondContact NE2-OE1 3.39Å; Q1149-E1153 WeakPolarHBondContact O-CG 3.3Å; Q1149-E1153 PolarHBondContact O-N 3.42Å
1150H89.3Confident85.4Confident30 Ų3051.7 Ų51.714%0.13923%0.234CC..Hα-helixtrans-59-41.4175.6176.675.8000112.8N1121 L1124 A1146 V1147 E1153 R1154N1121-H1150 PolarHBondContact ND2-CE1 3.45Å; N1121-H1150 PolarHBondContact ND2-ND1 2.85Å; L1124-H1150 HydrophobicContact CD1-CB 3.88Å; L1124-H1150 HydrophobicContact CD2-CB 4.32Å; L1124-H1150 HydrophobicContact CG-CB 4.34Å; A1146-H1150 WeakPolarHBondContact O-CB 3.46Å; A1146-H1150 PolarHBondContact O-N 3.31Å; V1147-H1150 PolarHBondContact O-N 2.92Å; H1150-E1153 PolarHBondContact O-N 2.84Å; H1150-R1154 WeakPolarHBondContact CE1-CD 3.47Å; H1150-R1154 PolarHBondContact O-N 3.19Å
1151L87.8Confident84.4Confident0 Ų062.4 Ų62.40%027%0.274CS..Hα-helixtrans-64.9-45.8175.7-69176.4000111.4F216 L219 I220 V1147 Y1148 Q1149 E1153 R1154 I1155 P1165F216-L1151 HydrophobicContact CB-CD2 3.51Å; F216-L1151 HydrophobicContact CD1-CD2 3.39Å; F216-L1151 HydrophobicContact CD2-CD2 4.34Å; F216-L1151 HydrophobicContact CE1-CD2 4.23Å; F216-L1151 HydrophobicContact CG-CD2 3.47Å; F216-L1151 VanDerWaalsContact CG-CD2 3.47Å; L219-L1151 HydrophobicContact CD2-CD2 4.29Å; I220-L1151 HydrophobicContact CB-CD1 4.01Å; I220-L1151 HydrophobicContact CD1-CD1 3.82Å; I220-L1151 HydrophobicContact CG1-CD1 4.25Å; V1147-L1151 HydrophobicContact CG1-CD1 4.03Å; V1147-L1151 HydrophobicContact CG1-CG 4.35Å; V1147-L1151 VanDerWaalsContact O-CG 3.27Å; V1147-L1151 WeakPolarHBondContact O-CG 3.46Å; V1147-L1151 PolarHBondContact O-N 3.17Å; Y1148-L1151 PolarHBondContact O-N 3.06Å; Q1149-L1151 VanDerWaalsContact C-N 3.33Å; Q1149-L1151 PolarHBondContact O-N 3.46Å; L1151-E1153 VanDerWaalsContact C-N 3.27Å; L1151-E1153 PolarHBondContact O-N 3.45Å; L1151-R1154 PolarHBondContact O-N 2.92Å; L1151-I1155 HydrophobicContact CB-CD1 4.12Å; L1151-I1155 VanDerWaalsContact O-CB 3.28Å; L1151-I1155 WeakPolarHBondContact O-CB 3.28Å; L1151-I1155 WeakPolarHBondContact O-CD1 3.31Å; L1151-I1155 WeakPolarHBondContact O-CG1 3.42Å; L1151-I1155 PolarHBondContact O-N 3.35Å; L1151-P1165 HydrophobicContact CB-CB 4.1Å; L1151-P1165 HydrophobicContact CB-CG 4.43Å; L1151-P1165 HydrophobicContact CD1-CB 4.31Å
1152R82.6Confident83.6Confident147 Ų14763.7 Ų63.756%0.55528%0.282SS*.Hα-helixtrans-59.9-36.4177.1-80.2-174.8170.1175.1-0.4113.1Y1148 Q1149 D1163 P1165Y1148-R1152 WeakPolarHBondContact O-CG 3.16Å; Y1148-R1152 PolarHBondContact O-N 3.32Å; Q1149-R1152 PolarHBondContact O-N 2.98Å; R1152-D1163 PolarHBondContact NE-O 2.82Å; R1152-P1165 HydrophobicContact CG-CG 3.84Å
1153E82.8Confident82.6Confident140 Ų14065 Ų6565%0.65429%0.292SS*.Hα-helixtrans-74.6-25.2-179.7-72.4172.6-170.800113.2Q1149 H1150 L1151Q1149-E1153 WeakPolarHBondContact CG-OE1 3.35Å; Q1149-E1153 PolarHBondContact NE2-OE1 3.39Å; Q1149-E1153 WeakPolarHBondContact O-CG 3.3Å; Q1149-E1153 PolarHBondContact O-N 3.42Å; H1150-E1153 PolarHBondContact O-N 2.84Å; L1151-E1153 VanDerWaalsContact C-N 3.27Å; L1151-E1153 PolarHBondContact O-N 3.45Å
1154R83.8Confident81.5Confident99 Ų9966.7 Ų66.737%0.37430%0.301SS..Hα-helixtrans-105-22-177.6-68.9-171.165.4-169.8-5.1115.2D212 F216 H1150 L1151 R1156D212-R1154 IonicContact OD1-CZ 3.26Å; D212-R1154 IonicContact OD1-NH2 3.36Å; D212-R1154 PolarHBondContact OD1-NH2 3.14Å; D212-R1154 IonicContact OD2-CZ 3.56Å; D212-R1154 IonicContact OD2-NH2 2.86Å; D212-R1154 PolarHBondContact OD2-NH2 3.15Å; F216-R1154 HydrophobicContact CE1-CB 4.18Å; F216-R1154 HydrophobicContact CE2-CB 4.35Å; F216-R1154 HydrophobicContact CZ-CB 3.59Å; H1150-R1154 WeakPolarHBondContact CE1-CD 3.47Å; H1150-R1154 PolarHBondContact O-N 3.19Å; L1151-R1154 PolarHBondContact O-N 2.92Å; R1154-R1156 PolarHBondContact O-N 3.5Å
1155I80.6Confident80.6Confident10 Ų1066.8 Ų66.85%0.05130%0.301CS..SBendtrans-67.4124.9175.8-75.6170000109.2F216 L1151 Q1157 I1160 P1165 A1168 I1169 M1172F216-I1155 HydrophobicContact CD2-CG1 3.86Å; F216-I1155 HydrophobicContact CE2-CG1 3.95Å; L1151-I1155 HydrophobicContact CB-CD1 4.12Å; L1151-I1155 VanDerWaalsContact O-CB 3.28Å; L1151-I1155 WeakPolarHBondContact O-CB 3.28Å; L1151-I1155 WeakPolarHBondContact O-CD1 3.31Å; L1151-I1155 WeakPolarHBondContact O-CG1 3.42Å; L1151-I1155 PolarHBondContact O-N 3.35Å; I1155-Q1157 PolarHBondContact O-N 3.02Å; I1155-Q1157 VanDerWaalsContact O-N 3.1Å; I1155-I1160 HydrophobicContact CG2-CD1 3.49Å; I1155-I1160 VanDerWaalsContact CG2-CD1 3.49Å; I1155-P1165 HydrophobicContact CD1-CB 3.8Å; I1155-A1168 HydrophobicContact CD1-CB 4.25Å; I1155-A1168 HydrophobicContact CG2-CB 3.8Å; I1155-I1169 HydrophobicContact CD1-CG1 4.18Å; I1155-M1172 HydrophobicContact CB-CE 4.24Å; I1155-M1172 HydrophobicContact CG1-CE 4.15Å; I1155-M1172 HydrophobicContact CG2-CE 3.86Å
1156R75Confident79.7Confident116 Ų11667.5 Ų67.544%0.43831%0.306SS..  trans-7298.8-177.9-86.1-169.977.4166.35.4112.1R1154 D1158 I1159 I1160R1154-R1156 PolarHBondContact O-N 3.5Å; R1156-D1158 WeakPolarHBondContact CB-OD1 3.42Å; R1156-D1158 IonicContact CZ-OD1 3.3Å; R1156-D1158 IonicContact CZ-OD2 3.8Å; R1156-D1158 IonicContact NE-OD1 3.4Å; R1156-D1158 PolarHBondContact NE-OD1 3.47Å; R1156-D1158 IonicContact NE-OD2 3.51Å; R1156-D1158 PolarHBondContact NE-OD2 3.41Å; R1156-D1158 IonicContact NH2-OD1 3.02Å; R1156-D1158 IonicContact NH2-OD2 2.78Å; R1156-D1158 PolarHBondContact NH2-OD2 2.81Å; R1156-D1158 PolarHBondContact O-N 2.99Å; R1156-I1159 HydrophobicContact CB-CD1 3.89Å; R1156-I1159 HydrophobicContact CB-CG1 4.21Å; R1156-I1159 PolarHBondContact O-N 2.81Å; R1156-I1159 VanDerWaalsContact O-N 3.16Å; R1156-I1160 WeakPolarHBondContact O-CD1 3.33Å
1157Q72.4Confident78.7Confident95 Ų9571.3 Ų71.344%0.44432%0.322SS..THydrogen-bonded Turntrans-63.6-16.5178-70.8-76.7-9.700113.8I1155 I1159 I1160I1155-Q1157 PolarHBondContact O-N 3.02Å; I1155-Q1157 VanDerWaalsContact O-N 3.1Å; Q1157-I1159 PolarHBondContact O-N 3.5Å; Q1157-I1160 VanDerWaalsContact O-O 3.08Å
1158D76.8Confident77.9Confident112 Ų11271.4 Ų71.460%0.59932%0.322SS*.THydrogen-bonded Turntrans-73.3-14.8175.158.9-47.4000113.5R1156R1156-D1158 WeakPolarHBondContact CB-OD1 3.42Å; R1156-D1158 IonicContact CZ-OD1 3.3Å; R1156-D1158 IonicContact CZ-OD2 3.8Å; R1156-D1158 IonicContact NE-OD1 3.4Å; R1156-D1158 PolarHBondContact NE-OD1 3.47Å; R1156-D1158 IonicContact NE-OD2 3.51Å; R1156-D1158 PolarHBondContact NE-OD2 3.41Å; R1156-D1158 IonicContact NH2-OD1 3.02Å; R1156-D1158 IonicContact NH2-OD2 2.78Å; R1156-D1158 PolarHBondContact NH2-OD2 2.81Å; R1156-D1158 PolarHBondContact O-N 2.99Å
1159I70.8Confident77.4Confident35 Ų3570.4 Ų70.418%0.17932%0.319CS..THydrogen-bonded Turntrans-100.5-21.3-180-55.6174.1000111.3R1156 Q1157 E1175 L1176R1156-I1159 HydrophobicContact CB-CD1 3.89Å; R1156-I1159 HydrophobicContact CB-CG1 4.21Å; R1156-I1159 PolarHBondContact O-N 2.81Å; R1156-I1159 VanDerWaalsContact O-N 3.16Å; Q1157-I1159 PolarHBondContact O-N 3.5Å; I1159-E1175 HydrophobicContact CG2-CB 3.49Å; I1159-E1175 VanDerWaalsContact CG2-CB 3.49Å; I1159-E1175 HydrophobicContact CG2-CG 3.91Å; I1159-L1176 HydrophobicContact CD1-CD2 4.34Å
1160I70.3Confident76.6Confident9 Ų970.4 Ų70.45%0.04632%0.319CS..  trans-127.5151.3-158.5-64.2156000109.9I1155 R1156 Q1157 A1168 Q1171 M1172I1155-I1160 HydrophobicContact CG2-CD1 3.49Å; I1155-I1160 VanDerWaalsContact CG2-CD1 3.49Å; R1156-I1160 WeakPolarHBondContact O-CD1 3.33Å; Q1157-I1160 VanDerWaalsContact O-O 3.08Å; I1160-A1168 HydrophobicContact CD1-CB 3.99Å; I1160-A1168 VanDerWaalsContact CD1-O 3.31Å; I1160-A1168 WeakPolarHBondContact CD1-O 3.31Å; I1160-A1168 HydrophobicContact CG2-CB 3.6Å; I1160-Q1171 HydrophobicContact CG1-CB 4.2Å; I1160-Q1171 HydrophobicContact CG2-CB 4.38Å; I1160-Q1171 VanDerWaalsContact CG2-OE1 3.32Å; I1160-M1172 HydrophobicContact CD1-CB 3.95Å; I1160-M1172 HydrophobicContact CD1-CE 3.58Å; I1160-M1172 HydrophobicContact CD1-CG 4.46Å; I1160-M1172 HydrophobicContact CG1-CB 4.47Å
1161R72.4Confident75.9Confident243 Ų24371.9 Ų71.992%0.91733%0.326SS*.  trans-113.28.6-177.7-61.3-174.6-176-178.22.6114.8
1162T75.3Confident75.4Confident30 Ų3072 Ų7218%0.18433%0.326CS..  trans-123.6139.9-174.1-73.90000111.5D1164 E1167 Q1171T1162-D1164 HydrophobicContact CG2-CB 3.58Å; T1162-E1167 HydrophobicContact CG2-CB 3.75Å; T1162-E1167 HydrophobicContact CG2-CG 4.44Å; T1162-E1167 WeakPolarHBondContact CG2-OE2 3Å; T1162-E1167 PolarHBondContact OG1-OE2 3.45Å; T1162-Q1171 PolarHBondContact OG1-NE2 3.44Å
1163D71.6Confident75.1Confident122 Ų12267.8 Ų67.865%0.65231%0.313SS*.SBendtrans-82.4-11.5175-70.3-33.7000114.6R1152 P1165R1152-D1163 PolarHBondContact NE-O 2.82Å; D1163-P1165 WeakPolarHBondContact O-CD 3.48Å
1164D73Confident74.5Confident34 Ų3463.5 Ų63.518%0.18229%0.294CS..  trans-79.1117.3172.9-175.71.4000111.4R1089 T1162 V1166 E1167 A1168R1089-D1164 IonicContact CZ-OD1 3.35Å; R1089-D1164 IonicContact CZ-OD2 2.67Å; R1089-D1164 IonicContact NH1-OD1 3.12Å; R1089-D1164 PolarHBondContact NH1-OD1 3.44Å; R1089-D1164 VanDerWaalsContact NH1-OD1 3.12Å; R1089-D1164 IonicContact NH1-OD2 3.43Å; R1089-D1164 IonicContact NH2-OD1 3.93Å; R1089-D1164 PolarHBondContact NH2-OD1 2.87Å; R1089-D1164 IonicContact NH2-OD2 3.97Å; R1089-D1164 PolarHBondContact NH2-OD2 3.12Å; T1162-D1164 HydrophobicContact CG2-CB 3.58Å; D1164-V1166 PolarHBondContact O-N 3.36Å; D1164-V1166 VanDerWaalsContact O-N 3.14Å; D1164-V1166 PolarHBondContact OD1-N 2.78Å; D1164-V1166 VanDerWaalsContact OD1-N 3.13Å; D1164-E1167 HydrophobicContact CB-CB 4.41Å; D1164-E1167 HydrophobicContact CB-CG 4.5Å; D1164-E1167 PolarHBondContact O-N 3.25Å; D1164-A1168 WeakPolarHBondContact O-CB 3.43Å; D1164-A1168 PolarHBondContact O-N 2.85Å
1165P74.8Confident74.1Confident2 Ų262 Ų621%0.01329%0.291CS..Hα-helixtrans-55.5-30.2178.8-28.437.1000115.4Y1148 L1151 R1152 I1155 D1163 I1169Y1148-P1165 HydrophobicContact CD1-CG 4.05Å; Y1148-P1165 HydrophobicContact CE1-CG 4.32Å; L1151-P1165 HydrophobicContact CB-CB 4.1Å; L1151-P1165 HydrophobicContact CB-CG 4.43Å; L1151-P1165 HydrophobicContact CD1-CB 4.31Å; R1152-P1165 HydrophobicContact CG-CG 3.84Å; I1155-P1165 HydrophobicContact CD1-CB 3.8Å; D1163-P1165 WeakPolarHBondContact O-CD 3.48Å; P1165-I1169 VanDerWaalsContact O-CD1 3.3Å; P1165-I1169 WeakPolarHBondContact O-CD1 3.48Å; P1165-I1169 WeakPolarHBondContact O-CG1 3.46Å; P1165-I1169 PolarHBondContact O-N 3.26Å
1166V72.8Confident74.1Confident48 Ų4861.6 Ų61.629%0.29129%0.289SS..Hα-helixtrans-75.3-51-176.4175.20000111.1I220 D1164 A1168 I1169 E1170I220-V1166 HydrophobicContact CG1-CG2 3.93Å; D1164-V1166 PolarHBondContact O-N 3.36Å; D1164-V1166 VanDerWaalsContact O-N 3.14Å; D1164-V1166 PolarHBondContact OD1-N 2.78Å; D1164-V1166 VanDerWaalsContact OD1-N 3.13Å; V1166-A1168 PolarHBondContact O-N 3.31Å; V1166-I1169 PolarHBondContact O-N 2.68Å; V1166-E1170 PolarHBondContact O-N 2.92Å
1167E71.2Confident74Confident93 Ų9357.7 Ų57.744%0.43528%0.279SS..Hα-helixtrans-59.8-36.5172.3-70-178.1-15600111.4T1162 D1164 I1169 E1170 Q1171T1162-E1167 HydrophobicContact CG2-CB 3.75Å; T1162-E1167 HydrophobicContact CG2-CG 4.44Å; T1162-E1167 WeakPolarHBondContact CG2-OE2 3Å; T1162-E1167 PolarHBondContact OG1-OE2 3.45Å; D1164-E1167 HydrophobicContact CB-CB 4.41Å; D1164-E1167 HydrophobicContact CB-CG 4.5Å; D1164-E1167 PolarHBondContact O-N 3.25Å; E1167-I1169 PolarHBondContact O-N 2.67Å; E1167-E1170 PolarHBondContact O-N 2.83Å; E1167-Q1171 WeakPolarHBondContact O-CG 3.44Å; E1167-Q1171 PolarHBondContact O-N 3.05Å
1168A76.8Confident74.2Confident1 Ų159.4 Ų59.41%0.00828%0.282CS..Hα-helixtrans-61.4-41.9176.600000112.8I1155 I1160 D1164 V1166 E1170 Q1171 M1172I1155-A1168 HydrophobicContact CD1-CB 4.25Å; I1155-A1168 HydrophobicContact CG2-CB 3.8Å; I1160-A1168 HydrophobicContact CD1-CB 3.99Å; I1160-A1168 VanDerWaalsContact CD1-O 3.31Å; I1160-A1168 WeakPolarHBondContact CD1-O 3.31Å; I1160-A1168 HydrophobicContact CG2-CB 3.6Å; D1164-A1168 WeakPolarHBondContact O-CB 3.43Å; D1164-A1168 PolarHBondContact O-N 2.85Å; V1166-A1168 PolarHBondContact O-N 3.31Å; A1168-E1170 VanDerWaalsContact C-N 3.3Å; A1168-E1170 PolarHBondContact O-N 3.21Å; A1168-Q1171 PolarHBondContact O-N 2.89Å; A1168-M1172 WeakPolarHBondContact O-CB 3.46Å; A1168-M1172 PolarHBondContact O-N 3.33Å
1169I78Confident74.3Confident5 Ų557 Ų573%0.02627%0.268CS..Hα-helixtrans-61.8-38.9175.3-73.4161.1000111.1R213 F216 K217 I220 I1155 P1165 V1166 E1167 E1173R213-I1169 HydrophobicContact CG-CG2 4.04Å; F216-I1169 HydrophobicContact CB-CD1 3.69Å; F216-I1169 HydrophobicContact CB-CG1 4.02Å; K217-I1169 HydrophobicContact CB-CG2 4.06Å; K217-I1169 HydrophobicContact CG-CG2 4.44Å; I220-I1169 HydrophobicContact CG2-CD1 4.35Å; I1155-I1169 HydrophobicContact CD1-CG1 4.18Å; P1165-I1169 VanDerWaalsContact O-CD1 3.3Å; P1165-I1169 WeakPolarHBondContact O-CD1 3.48Å; P1165-I1169 WeakPolarHBondContact O-CG1 3.46Å; P1165-I1169 PolarHBondContact O-N 3.26Å; V1166-I1169 PolarHBondContact O-N 2.68Å; E1167-I1169 PolarHBondContact O-N 2.67Å; I1169-E1173 PolarHBondContact O-N 3.3Å
1170E70.1Confident74.8Confident108 Ų10857.1 Ų57.151%0.50527%0.271SS..Hα-helixtrans-71.1-43.8178.2-66.5-177.5172.400112.4V1166 E1167 A1168 M1172 E1173 I1174V1166-E1170 PolarHBondContact O-N 2.92Å; E1167-E1170 PolarHBondContact O-N 2.83Å; A1168-E1170 VanDerWaalsContact C-N 3.3Å; A1168-E1170 PolarHBondContact O-N 3.21Å; E1170-M1172 VanDerWaalsContact C-N 3.29Å; E1170-M1172 PolarHBondContact O-N 2.96Å; E1170-E1173 WeakPolarHBondContact O-CB 3.46Å; E1170-E1173 PolarHBondContact O-N 3.24Å; E1170-I1174 PolarHBondContact O-N 2.69Å
1171Q75.9Confident74.9Confident61 Ų6161.5 Ų61.529%0.28529%0.291SS..Hα-helixtrans-60.8-40.8173.1-72.4-17916.400111.2I1160 T1162 E1167 A1168 E1173 I1174 E1175I1160-Q1171 HydrophobicContact CG1-CB 4.2Å; I1160-Q1171 HydrophobicContact CG2-CB 4.38Å; I1160-Q1171 VanDerWaalsContact CG2-OE1 3.32Å; T1162-Q1171 PolarHBondContact OG1-NE2 3.44Å; E1167-Q1171 WeakPolarHBondContact O-CG 3.44Å; E1167-Q1171 PolarHBondContact O-N 3.05Å; A1168-Q1171 PolarHBondContact O-N 2.89Å; Q1171-E1173 PolarHBondContact O-N 3.06Å; Q1171-I1174 PolarHBondContact O-N 2.77Å; Q1171-E1175 PolarHBondContact O-N 2.8Å
1172M77.2Confident75Confident2 Ų254.3 Ų54.31%0.0127%0.268CS..Hα-helixtrans-62.6-41.4175.9-166.4-174.5-62.300112T209 R213 I1155 I1160 A1168 E1170 I1174 E1175 L1176T209-M1172 HydrophobicContact CG2-SD 3.97Å; R213-M1172 HydrophobicContact CB-SD 3.79Å; R213-M1172 HydrophobicContact CG-CB 4.49Å; R213-M1172 HydrophobicContact CG-CG 4.45Å; R213-M1172 HydrophobicContact CG-SD 4.02Å; I1155-M1172 HydrophobicContact CB-CE 4.24Å; I1155-M1172 HydrophobicContact CG1-CE 4.15Å; I1155-M1172 HydrophobicContact CG2-CE 3.86Å; I1160-M1172 HydrophobicContact CD1-CB 3.95Å; I1160-M1172 HydrophobicContact CD1-CE 3.58Å; I1160-M1172 HydrophobicContact CD1-CG 4.46Å; I1160-M1172 HydrophobicContact CG1-CB 4.47Å; A1168-M1172 WeakPolarHBondContact O-CB 3.46Å; A1168-M1172 PolarHBondContact O-N 3.33Å; E1170-M1172 VanDerWaalsContact C-N 3.29Å; E1170-M1172 PolarHBondContact O-N 2.96Å; M1172-I1174 VanDerWaalsContact C-N 3.31Å; M1172-I1174 PolarHBondContact O-N 2.85Å; M1172-E1175 PolarHBondContact O-N 3.23Å; M1172-L1176 HydrophobicContact CG-CD1 3.61Å; M1172-L1176 HydrophobicContact CG-CG 3.99Å; M1172-L1176 VanDerWaalsContact O-CB 3.27Å; M1172-L1176 WeakPolarHBondContact O-CB 3.47Å; M1172-L1176 WeakPolarHBondContact O-CG 3.44Å; M1172-L1176 PolarHBondContact O-N 3.07Å; M1172-L1176 HydrophobicContact SD-CD1 4.16Å
1173E76.1Confident75.2Confident59 Ų5953.9 Ų53.928%0.27627%0.265SS..Hα-helixtrans-58.9-43.3175.6169.6154.6-13100111.6R213 K217 I1169 E1170 Q1171 S1177R213-E1173 VanDerWaalsContact CZ-CD 3.43Å; R213-E1173 IonicContact CZ-OE1 3.15Å; R213-E1173 IonicContact CZ-OE2 2.96Å; R213-E1173 IonicContact NH1-OE1 2.69Å; R213-E1173 PolarHBondContact NH1-OE1 3.04Å; R213-E1173 IonicContact NH1-OE2 3.82Å; R213-E1173 IonicContact NH2-OE1 2.72Å; R213-E1173 PolarHBondContact NH2-OE1 2.72Å; K217-E1173 IonicContact NZ-OE2 2.77Å; I1169-E1173 PolarHBondContact O-N 3.3Å; E1170-E1173 WeakPolarHBondContact O-CB 3.46Å; E1170-E1173 PolarHBondContact O-N 3.24Å; Q1171-E1173 PolarHBondContact O-N 3.06Å; E1173-S1177 WeakPolarHBondContact O-CB 3.46Å; E1173-S1177 PolarHBondContact O-N 3.14Å; E1173-S1177 PolarHBondContact O-OG 3.37Å
1174I70.7Confident75.4Confident49 Ų4950.9 Ų50.925%0.25125%0.251SS..Hα-helixtrans-64.2-55.4176.8-71164.8000111.3F763 E1170 Q1171 M1172 L1176 S1177 R1178F763-I1174 HydrophobicContact CE2-CB 4.45Å; F763-I1174 HydrophobicContact CE2-CG1 4.37Å; F763-I1174 HydrophobicContact CE2-CG2 3.43Å; F763-I1174 VanDerWaalsContact CE2-CG2 3.43Å; F763-I1174 HydrophobicContact CZ-CG2 3.7Å; E1170-I1174 PolarHBondContact O-N 2.69Å; Q1171-I1174 PolarHBondContact O-N 2.77Å; M1172-I1174 VanDerWaalsContact C-N 3.31Å; M1172-I1174 PolarHBondContact O-N 2.85Å; I1174-L1176 PolarHBondContact O-N 2.96Å; I1174-S1177 PolarHBondContact O-N 3.08Å; I1174-S1177 PolarHBondContact O-OG 2.88Å; I1174-R1178 PolarHBondContact O-N 2.8Å; I1174-R1178 VanDerWaalsContact O-N 3.15Å
1175E75.2Confident75.2Confident67 Ų6751 Ų5131%0.31325%0.254SS..Hα-helixtrans-67.3-37.4-174.7-71.1-65.6163.700112.8I1159 Q1171 M1172 S1177 R1178 L1179I1159-E1175 HydrophobicContact CG2-CB 3.49Å; I1159-E1175 VanDerWaalsContact CG2-CB 3.49Å; I1159-E1175 HydrophobicContact CG2-CG 3.91Å; Q1171-E1175 PolarHBondContact O-N 2.8Å; M1172-E1175 PolarHBondContact O-N 3.23Å; E1175-S1177 VanDerWaalsContact C-N 3.32Å; E1175-S1177 PolarHBondContact O-N 2.98Å; E1175-R1178 PolarHBondContact O-N 3.37Å; E1175-L1179 WeakPolarHBondContact O-CB 3.24Å; E1175-L1179 WeakPolarHBondContact O-CG 3.45Å; E1175-L1179 PolarHBondContact O-N 3.2Å
1176L79.6Confident75Confident2 Ų257 Ų571%0.0128%0.276CS..Hα-helixtrans-67.2-34176.6-67.1176.9000112.1I206 T209 Q210 I1159 M1172 I1174 T1180I206-L1176 HydrophobicContact CB-CD2 4.47Å; I206-L1176 HydrophobicContact CG1-CD2 4.22Å; I206-L1176 HydrophobicContact CG2-CB 4.26Å; I206-L1176 HydrophobicContact CG2-CD2 4.05Å; T209-L1176 HydrophobicContact CG2-CD1 3.82Å; T209-L1176 HydrophobicContact CG2-CD2 4.13Å; Q210-L1176 HydrophobicContact CG-CB 4.04Å; Q210-L1176 HydrophobicContact CG-CD1 3.76Å; Q210-L1176 HydrophobicContact CG-CG 4.5Å; I1159-L1176 HydrophobicContact CD1-CD2 4.34Å; M1172-L1176 HydrophobicContact CG-CD1 3.61Å; M1172-L1176 HydrophobicContact CG-CG 3.99Å; M1172-L1176 VanDerWaalsContact O-CB 3.27Å; M1172-L1176 WeakPolarHBondContact O-CB 3.47Å; M1172-L1176 WeakPolarHBondContact O-CG 3.44Å; M1172-L1176 PolarHBondContact O-N 3.07Å; M1172-L1176 HydrophobicContact SD-CD1 4.16Å; I1174-L1176 PolarHBondContact O-N 2.96Å; L1176-T1180 WeakPolarHBondContact O-CB 3.36Å; L1176-T1180 PolarHBondContact O-N 3.42Å; L1176-T1180 PolarHBondContact O-OG1 3.31Å
1177S72.7Confident74.8Confident34 Ų3456.6 Ų56.624%0.23827%0.271CS..Hα-helixtrans-66-47175.467.90000111.3E1173 I1174 E1175 T1180 E1181E1173-S1177 WeakPolarHBondContact O-CB 3.46Å; E1173-S1177 PolarHBondContact O-N 3.14Å; E1173-S1177 PolarHBondContact O-OG 3.37Å; I1174-S1177 PolarHBondContact O-N 3.08Å; I1174-S1177 PolarHBondContact O-OG 2.88Å; E1175-S1177 VanDerWaalsContact C-N 3.32Å; E1175-S1177 PolarHBondContact O-N 2.98Å; S1177-T1180 WeakPolarHBondContact O-CB 3.47Å; S1177-T1180 PolarHBondContact O-N 3.26Å; S1177-E1181 PolarHBondContact O-N 3.27Å
1178R76.9Confident74.6Confident131 Ų13159 Ų5949%0.49428%0.283SS..Hα-helixtrans-56.7-51.4173.9-179.6-170.6168.7174.14.6112.6I1174 E1175 T1180 E1181 E1182I1174-R1178 PolarHBondContact O-N 2.8Å; I1174-R1178 VanDerWaalsContact O-N 3.15Å; E1175-R1178 PolarHBondContact O-N 3.37Å; R1178-T1180 VanDerWaalsContact C-N 3.26Å; R1178-T1180 PolarHBondContact O-N 3.2Å; R1178-E1181 PolarHBondContact O-N 3.48Å; R1178-E1182 IonicContact CZ-OE1 3.98Å; R1178-E1182 IonicContact NE-OE1 3.35Å; R1178-E1182 PolarHBondContact NE-OE1 3.37Å; R1178-E1182 IonicContact NH2-OE1 3.36Å; R1178-E1182 PolarHBondContact NH2-OE1 2.89Å; R1178-E1182 PolarHBondContact O-N 2.8Å
1179L79Confident73.9Confident61 Ų6164 Ų6432%0.31931%0.305SS..Hα-helixtrans-61.9-35.7180-72.5171000111.9I206 E1175 L1183I206-L1179 HydrophobicContact CD1-CB 3.68Å; E1175-L1179 WeakPolarHBondContact O-CB 3.24Å; E1175-L1179 WeakPolarHBondContact O-CG 3.45Å; E1175-L1179 PolarHBondContact O-N 3.2Å; L1179-L1183 VanDerWaalsContact O-CB 3.26Å; L1179-L1183 WeakPolarHBondContact O-CB 3.26Å; L1179-L1183 WeakPolarHBondContact O-CD1 3.46Å; L1179-L1183 VanDerWaalsContact O-CG 3.23Å; L1179-L1183 WeakPolarHBondContact O-CG 3.41Å; L1179-L1183 PolarHBondContact O-N 3.18Å
1180T80.3Confident73.3Confident38 Ų3866 Ų6623%0.23332%0.315CS..Hα-helixtrans-62.1-50.3174.7-55.90000110.1L203 I206 Q210 L1176 S1177 R1178 E1182 L1183 T1184L203-T1180 HydrophobicContact CD2-CG2 4.07Å; I206-T1180 WeakPolarHBondContact CG2-OG1 3.21Å; Q210-T1180 PolarHBondContact NE2-OG1 3Å; L1176-T1180 WeakPolarHBondContact O-CB 3.36Å; L1176-T1180 PolarHBondContact O-N 3.42Å; L1176-T1180 PolarHBondContact O-OG1 3.31Å; S1177-T1180 WeakPolarHBondContact O-CB 3.47Å; S1177-T1180 PolarHBondContact O-N 3.26Å; R1178-T1180 VanDerWaalsContact C-N 3.26Å; R1178-T1180 PolarHBondContact O-N 3.2Å; T1180-E1182 PolarHBondContact O-N 3.23Å; T1180-L1183 PolarHBondContact O-N 3Å; T1180-T1184 WeakPolarHBondContact O-CB 3.22Å; T1180-T1184 PolarHBondContact O-N 3.49Å; T1180-T1184 PolarHBondContact O-OG1 3.36Å
1181E73.9Confident72.9Confident101 Ų10163.8 Ų63.847%0.47232%0.315SS..Hα-helixtrans-60.7-45.6179.3-71.5179.5-176.400112.3S1177 R1178 L1183 T1184 S1185S1177-E1181 PolarHBondContact O-N 3.27Å; R1178-E1181 PolarHBondContact O-N 3.48Å; E1181-L1183 PolarHBondContact O-N 2.86Å; E1181-T1184 PolarHBondContact O-N 3.03Å; E1181-S1185 WeakPolarHBondContact O-CB 3.47Å; E1181-S1185 PolarHBondContact O-N 2.96Å
1182E74.6Confident72.3Confident92 Ų9264.2 Ų64.243%0.4332%0.318SS..Hα-helixtrans-60-46177.5-75.6-178.9-172.100112.2R1178 T1180 S1185 R1186R1178-E1182 IonicContact CZ-OE1 3.98Å; R1178-E1182 IonicContact NE-OE1 3.35Å; R1178-E1182 PolarHBondContact NE-OE1 3.37Å; R1178-E1182 IonicContact NH2-OE1 3.36Å; R1178-E1182 PolarHBondContact NH2-OE1 2.89Å; R1178-E1182 PolarHBondContact O-N 2.8Å; T1180-E1182 PolarHBondContact O-N 3.23Å; E1182-S1185 PolarHBondContact O-N 2.75Å; E1182-R1186 WeakPolarHBondContact O-CB 3.48Å; E1182-R1186 PolarHBondContact O-N 3.26Å
1183L78.8Confident71.8Confident22 Ų2267 Ų6712%0.11534%0.338CS..Hα-helixtrans-69.9-37.7-179.9-74.8172.9000112.4N199 T202 L203 I206 L1179 T1180 E1181 R1186 E1187N199-L1183 PolarHBondContact ND2-O 3.42Å; N199-L1183 WeakPolarHBondContact OD1-CB 3.41Å; N199-L1183 WeakPolarHBondContact OD1-CD2 3.47Å; N199-L1183 PolarHBondContact OD1-O 2.97Å; T202-L1183 HydrophobicContact CG2-CD1 3.67Å; L203-L1183 HydrophobicContact CD1-CB 4.32Å; L203-L1183 HydrophobicContact CD2-CB 3.61Å; L203-L1183 HydrophobicContact CD2-CD1 4.03Å; L203-L1183 HydrophobicContact CG-CB 3.82Å; L203-L1183 HydrophobicContact CG-CD1 4.12Å; I206-L1183 HydrophobicContact CD1-CD1 3.35Å; L1179-L1183 VanDerWaalsContact O-CB 3.26Å; L1179-L1183 WeakPolarHBondContact O-CB 3.26Å; L1179-L1183 WeakPolarHBondContact O-CD1 3.46Å; L1179-L1183 VanDerWaalsContact O-CG 3.23Å; L1179-L1183 WeakPolarHBondContact O-CG 3.41Å; L1179-L1183 PolarHBondContact O-N 3.18Å; T1180-L1183 PolarHBondContact O-N 3Å; E1181-L1183 PolarHBondContact O-N 2.86Å; L1183-R1186 PolarHBondContact O-N 2.95Å; L1183-E1187 PolarHBondContact O-N 3.05Å
1184T75.2Confident71.6Confident59 Ų5964.3 Ų64.336%0.36233%0.326SS..Hα-helixtrans-65.9-41.8175.8-42.90000110.7T1180 E1181 E1187 Q1188T1180-T1184 WeakPolarHBondContact O-CB 3.22Å; T1180-T1184 PolarHBondContact O-N 3.49Å; T1180-T1184 PolarHBondContact O-OG1 3.36Å; E1181-T1184 PolarHBondContact O-N 3.03Å; T1184-E1187 PolarHBondContact O-N 3.17Å; T1184-Q1188 WeakPolarHBondContact O-CG 3.34Å; T1184-Q1188 PolarHBondContact O-N 3.36Å
1185S68.8Low71.7Confident36 Ų3668.6 Ų68.625%0.25234%0.339SS..Hα-helixtrans-61.6-43.4172.7175.60000111.9E1181 E1182 E1187 Q1188 K1189E1181-S1185 WeakPolarHBondContact O-CB 3.47Å; E1181-S1185 PolarHBondContact O-N 2.96Å; E1182-S1185 PolarHBondContact O-N 2.75Å; S1185-E1187 VanDerWaalsContact C-N 3.32Å; S1185-E1187 PolarHBondContact O-N 3.03Å; S1185-Q1188 PolarHBondContact O-N 3.48Å; S1185-K1189 WeakPolarHBondContact O-CG 3.26Å; S1185-K1189 PolarHBondContact O-N 3.25Å
1186R70.4Confident71.7Confident127 Ų12767.2 Ų67.248%0.47934%0.337SS..Hα-helixtrans-63.4-36.9174.9-175.8178.5178.6-176.4-3.2112.3E1182 L1183 K1189 L1190E1182-R1186 WeakPolarHBondContact O-CB 3.48Å; E1182-R1186 PolarHBondContact O-N 3.26Å; L1183-R1186 PolarHBondContact O-N 2.95Å; R1186-K1189 PolarHBondContact O-N 3.35Å; R1186-L1190 HydrophobicContact CG-CD1 4.08Å; R1186-L1190 WeakPolarHBondContact O-CB 3.49Å; R1186-L1190 WeakPolarHBondContact O-CG 3.41Å; R1186-L1190 PolarHBondContact O-N 2.83Å
1187E69.6Low71.5Confident40 Ų4067.1 Ų67.119%0.18734%0.336CS..Hα-helixtrans-63.4-44.2175.3-168171.8179.400110.8L196 N199 R200 L1183 T1184 S1185 K1189 L1190 A1191L196-E1187 HydrophobicContact CD2-CB 4.47Å; L196-E1187 HydrophobicContact CD2-CG 3.65Å; N199-E1187 PolarHBondContact ND2-N 3.46Å; R200-E1187 IonicContact CZ-OE1 2.91Å; R200-E1187 VanDerWaalsContact CZ-OE1 3.26Å; R200-E1187 IonicContact NE-OE1 3.95Å; R200-E1187 PolarHBondContact NE-OE1 3.33Å; R200-E1187 IonicContact NH2-OE1 4Å; R200-E1187 PolarHBondContact NH2-OE1 3.35Å; L1183-E1187 PolarHBondContact O-N 3.05Å; T1184-E1187 PolarHBondContact O-N 3.17Å; S1185-E1187 VanDerWaalsContact C-N 3.32Å; S1185-E1187 PolarHBondContact O-N 3.03Å; E1187-K1189 PolarHBondContact O-N 2.92Å; E1187-L1190 PolarHBondContact O-N 3.44Å; E1187-A1191 WeakPolarHBondContact O-CB 3.48Å; E1187-A1191 PolarHBondContact O-N 3.02Å
1188Q66.2Low71.9Confident145 Ų14565.5 Ų65.568%0.67833%0.325SS*.Hα-helixtrans-61.6-41.9174.2-70.2176.1-7.100112.5T1184 S1185 L1190 A1191T1184-Q1188 WeakPolarHBondContact O-CG 3.34Å; T1184-Q1188 PolarHBondContact O-N 3.36Å; S1185-Q1188 PolarHBondContact O-N 3.48Å; Q1188-L1190 VanDerWaalsContact C-N 3.35Å; Q1188-L1190 PolarHBondContact O-N 3.18Å; Q1188-A1191 PolarHBondContact O-N 3.47Å
1189K63.5Low72Confident106 Ų10663 Ų6346%0.46132%0.322SS..Hα-helixtrans-63.9-36.7176.4-72.5-177.1-175.5-177.80112.8E752 S1185 R1186 E1187E752-K1189 IonicContact OE1-NZ 2.99Å; E752-K1189 PolarHBondContact OE1-NZ 2.87Å; E752-K1189 IonicContact OE2-NZ 2.9Å; E752-K1189 PolarHBondContact OE2-NZ 3.39Å; S1185-K1189 WeakPolarHBondContact O-CG 3.26Å; S1185-K1189 PolarHBondContact O-N 3.25Å; R1186-K1189 PolarHBondContact O-N 3.35Å; E1187-K1189 PolarHBondContact O-N 2.92Å
1190L63.9Low72Confident47 Ų4763.5 Ų63.525%0.24632%0.324CS..Hα-helixtrans-81-23.7-178.9-74.7171.2000113M192 A195 L196 R1186 E1187 Q1188 I1192M192-L1190 VanDerWaalsContact CG-O 3.3Å; M192-L1190 WeakPolarHBondContact CG-O 3.46Å; A195-L1190 HydrophobicContact CB-CD1 3.77Å; A195-L1190 HydrophobicContact CB-CD2 4.45Å; L196-L1190 HydrophobicContact CD2-CB 3.64Å; L196-L1190 HydrophobicContact CD2-CD1 4.36Å; L196-L1190 HydrophobicContact CG-CB 4.04Å; R1186-L1190 HydrophobicContact CG-CD1 4.08Å; R1186-L1190 WeakPolarHBondContact O-CB 3.49Å; R1186-L1190 WeakPolarHBondContact O-CG 3.41Å; R1186-L1190 PolarHBondContact O-N 2.83Å; E1187-L1190 PolarHBondContact O-N 3.44Å; Q1188-L1190 VanDerWaalsContact C-N 3.35Å; Q1188-L1190 PolarHBondContact O-N 3.18Å; L1190-I1192 PolarHBondContact O-N 2.83Å
1191A63.4Low72.1Confident61 Ų6161.9 Ų61.950%0.50431%0.314SS..  trans-6895.8179.500000110.7E1187 Q1188E1187-A1191 WeakPolarHBondContact O-CB 3.48Å; E1187-A1191 PolarHBondContact O-N 3.02Å; Q1188-A1191 PolarHBondContact O-N 3.47Å
1192I63.2Low72.6Confident69 Ų6961 Ų6135%0.35431%0.306SS..  trans-70.9131.6169.7-77-166.9000109.8F189 M192 L1190 S1196 V1197F189-I1192 HydrophobicContact CE1-CB 4.46Å; F189-I1192 HydrophobicContact CE1-CG2 4.14Å; F189-I1192 HydrophobicContact CZ-CG2 4.4Å; M192-I1192 HydrophobicContact CE-CB 3.68Å; M192-I1192 HydrophobicContact CE-CD1 3.17Å; M192-I1192 HydrophobicContact CE-CG1 3.31Å; M192-I1192 HydrophobicContact SD-CB 4.02Å; M192-I1192 HydrophobicContact SD-CG1 4.12Å; L1190-I1192 PolarHBondContact O-N 2.83Å; I1192-S1196 WeakPolarHBondContact CG2-OG 3.46Å; I1192-V1197 HydrophobicContact CG2-CG2 3.71Å
1193S65.8Low72.7Confident61 Ų6162.1 Ų62.143%0.42731%0.309SS..  trans-68.4140.4173.683.50000111.3R1195 S1196 V1197S1193-R1195 PolarHBondContact O-N 2.77Å; S1193-R1195 VanDerWaalsContact O-N 3.13Å; S1193-S1196 PolarHBondContact O-N 2.91Å; S1193-S1196 PolarHBondContact O-OG 3.33Å; S1193-S1196 PolarHBondContact OG-N 3.44Å; S1193-S1196 VanDerWaalsContact OG-N 3.17Å; S1193-V1197 WeakPolarHBondContact O-CG2 3.47Å; S1193-V1197 PolarHBondContact O-N 3.15Å
1194S72.5Confident72.9Confident3 Ų361.6 Ų61.62%0.02131%0.307CS..Hα-helixtrans-48-36.5170.152.60000112.7V1197 A1198 H1251S1194-V1197 WeakPolarHBondContact O-CB 3.36Å; S1194-V1197 PolarHBondContact O-N 3.43Å; S1194-A1198 PolarHBondContact O-N 2.86Å; S1194-H1251 PolarHBondContact OG-CD2 3.25Å; S1194-H1251 VanDerWaalsContact OG-CD2 3.31Å; S1194-H1251 PolarHBondContact OG-CE1 2.74Å; S1194-H1251 PolarHBondContact OG-ND1 3.48Å; S1194-H1251 PolarHBondContact OG-NE2 3.25Å
1195R73.2Confident73.3Confident139 Ų13959.1 Ų59.153%0.52529%0.291SS..Hα-helixtrans-62.9-42.1176.7-174.8171.5-173.3176.42112.4S1193 V1197 A1198 N1199 L1247S1193-R1195 PolarHBondContact O-N 2.77Å; S1193-R1195 VanDerWaalsContact O-N 3.13Å; R1195-V1197 VanDerWaalsContact C-N 3.29Å; R1195-V1197 PolarHBondContact O-N 2.93Å; R1195-A1198 PolarHBondContact O-N 3.12Å; R1195-N1199 PolarHBondContact O-N 2.96Å; R1195-N1199 PolarHBondContact O-ND2 3.32Å; R1195-L1247 WeakPolarHBondContact CA-O 3.26Å
1196S73.3Confident73.8Confident38 Ų3861.4 Ų61.427%0.26630%0.298SS..Hα-helixtrans-64.8-37.6177.6108.70000111.1I1192 S1193 N1199 I1200I1192-S1196 WeakPolarHBondContact CG2-OG 3.46Å; S1193-S1196 PolarHBondContact O-N 2.91Å; S1193-S1196 PolarHBondContact O-OG 3.33Å; S1193-S1196 PolarHBondContact OG-N 3.44Å; S1193-S1196 VanDerWaalsContact OG-N 3.17Å; S1196-N1199 PolarHBondContact O-N 3.49Å; S1196-I1200 WeakPolarHBondContact O-CG1 3.28Å; S1196-I1200 PolarHBondContact O-N 3.43Å
1197V76.4Confident74.2Confident0 Ų062 Ų620%030%0.3CS..Hα-helixtrans-63.4-47.5177-169.80000111F189 I1192 S1193 S1194 R1195 N1199 I1200 I1201 F1265 L1295F189-V1197 HydrophobicContact CE1-CG2 3.7Å; F189-V1197 HydrophobicContact CE2-CG1 3.88Å; F189-V1197 HydrophobicContact CE2-CG2 4.32Å; F189-V1197 HydrophobicContact CZ-CB 4.03Å; F189-V1197 HydrophobicContact CZ-CG1 3.67Å; F189-V1197 HydrophobicContact CZ-CG2 3.29Å; I1192-V1197 HydrophobicContact CG2-CG2 3.71Å; S1193-V1197 WeakPolarHBondContact O-CG2 3.47Å; S1193-V1197 PolarHBondContact O-N 3.15Å; S1194-V1197 WeakPolarHBondContact O-CB 3.36Å; S1194-V1197 PolarHBondContact O-N 3.43Å; R1195-V1197 VanDerWaalsContact C-N 3.29Å; R1195-V1197 PolarHBondContact O-N 2.93Å; V1197-N1199 VanDerWaalsContact C-N 3.26Å; V1197-N1199 PolarHBondContact O-N 3.28Å; V1197-I1200 PolarHBondContact O-N 3.06Å; V1197-I1201 HydrophobicContact CG1-CD1 4.06Å; V1197-I1201 WeakPolarHBondContact O-CG1 3.45Å; V1197-I1201 PolarHBondContact O-N 2.79Å; V1197-F1265 HydrophobicContact CB-CE1 4.28Å; V1197-F1265 HydrophobicContact CB-CZ 3.98Å; V1197-F1265 HydrophobicContact CG1-CE1 4Å; V1197-F1265 HydrophobicContact CG1-CZ 4.21Å; V1197-F1265 HydrophobicContact CG2-CE1 3.8Å; V1197-F1265 HydrophobicContact CG2-CE2 4.18Å; V1197-F1265 HydrophobicContact CG2-CZ 3.38Å; V1197-L1295 HydrophobicContact CG1-CD2 3.89Å
1198A81.6Confident74.8Confident0 Ų060.8 Ų60.80%030%0.295CS..Hα-helixtrans-57.8-42.4176.300000111.3S1194 R1195 I1201 R1202 L1244 L1247S1194-A1198 PolarHBondContact O-N 2.86Å; R1195-A1198 PolarHBondContact O-N 3.12Å; A1198-I1201 PolarHBondContact O-N 3.01Å; A1198-R1202 WeakPolarHBondContact O-CB 3.44Å; A1198-R1202 WeakPolarHBondContact O-CG 3.49Å; A1198-R1202 PolarHBondContact O-N 2.89Å; A1198-L1244 HydrophobicContact CB-CD2 4.15Å; A1198-L1247 HydrophobicContact CB-CB 3.74Å
1199N79.1Confident75.6Confident79 Ų7957 Ų5742%0.42228%0.277SS..Hα-helixtrans-65.2-41.9177.8-69.4-13.3000112.6R1195 S1196 V1197 I1201 R1202 K1203R1195-N1199 PolarHBondContact O-N 2.96Å; R1195-N1199 PolarHBondContact O-ND2 3.32Å; S1196-N1199 PolarHBondContact O-N 3.49Å; V1197-N1199 VanDerWaalsContact C-N 3.26Å; V1197-N1199 PolarHBondContact O-N 3.28Å; N1199-I1201 VanDerWaalsContact C-N 3.35Å; N1199-I1201 PolarHBondContact O-N 3.13Å; N1199-R1202 PolarHBondContact O-N 3.04Å; N1199-K1203 VanDerWaalsContact O-CB 3.29Å; N1199-K1203 WeakPolarHBondContact O-CB 3.42Å; N1199-K1203 PolarHBondContact O-N 2.78Å
1200I78.9Confident76.3Confident71 Ų7155.7 Ų55.736%0.36428%0.275SS..Hα-helixtrans-61.7-44.4176-69.2165.1000110.6V185 S1196 V1197 T1204V185-I1200 HydrophobicContact CG2-CG2 3.99Å; S1196-I1200 WeakPolarHBondContact O-CG1 3.28Å; S1196-I1200 PolarHBondContact O-N 3.43Å; V1197-I1200 PolarHBondContact O-N 3.06Å; I1200-T1204 WeakPolarHBondContact O-CB 3.5Å; I1200-T1204 PolarHBondContact O-N 2.97Å; I1200-T1204 PolarHBondContact O-OG1 3.1Å
1201I83Confident77Confident4 Ų455.2 Ų55.22%0.02127%0.27CS..Hα-helixtrans-65.6-48.3178.4-65.4172.4000110.3V1197 A1198 N1199 K1203 T1204 I1205 L1244 Y1300V1197-I1201 HydrophobicContact CG1-CD1 4.06Å; V1197-I1201 WeakPolarHBondContact O-CG1 3.45Å; V1197-I1201 PolarHBondContact O-N 2.79Å; A1198-I1201 PolarHBondContact O-N 3.01Å; N1199-I1201 VanDerWaalsContact C-N 3.35Å; N1199-I1201 PolarHBondContact O-N 3.13Å; I1201-K1203 PolarHBondContact O-N 3.2Å; I1201-T1204 PolarHBondContact O-N 2.98Å; I1201-T1204 VanDerWaalsContact O-N 3.14Å; I1201-I1205 HydrophobicContact CG2-CD1 3.74Å; I1201-I1205 HydrophobicContact CG2-CG1 4.32Å; I1201-I1205 WeakPolarHBondContact O-CG1 3.14Å; I1201-I1205 PolarHBondContact O-N 3.25Å; I1201-L1244 HydrophobicContact CB-CD2 3.97Å; I1201-L1244 HydrophobicContact CD1-CD2 4.3Å; I1201-L1244 HydrophobicContact CG2-CD1 4.05Å; I1201-L1244 HydrophobicContact CG2-CD2 3.87Å; I1201-Y1300 HydrophobicContact CG2-CD1 4.4Å; I1201-Y1300 HydrophobicContact CG2-CD2 4.23Å; I1201-Y1300 HydrophobicContact CG2-CE1 4.33Å; I1201-Y1300 HydrophobicContact CG2-CE2 4.09Å; I1201-Y1300 HydrophobicContact CG2-CG 4.41Å
1202R82.8Confident77.8Confident82 Ų8252.4 Ų52.431%0.30925%0.247SC..Hα-helixtrans-55-48.8175.4-76.8179.7-165-142.1-7.3111.9A1198 N1199 T1204 I1205 Q1206 L1244 D1245 S1248A1198-R1202 WeakPolarHBondContact O-CB 3.44Å; A1198-R1202 WeakPolarHBondContact O-CG 3.49Å; A1198-R1202 PolarHBondContact O-N 2.89Å; N1199-R1202 PolarHBondContact O-N 3.04Å; R1202-T1204 VanDerWaalsContact C-N 3.28Å; R1202-T1204 PolarHBondContact O-N 3.37Å; R1202-I1205 WeakPolarHBondContact O-CB 3.39Å; R1202-I1205 PolarHBondContact O-N 2.95Å; R1202-I1205 VanDerWaalsContact O-N 3.17Å; R1202-Q1206 WeakPolarHBondContact O-CB 3.21Å; R1202-Q1206 PolarHBondContact O-N 3.26Å; R1202-L1244 HydrophobicContact CG-CD1 4.1Å; R1202-L1244 VanDerWaalsContact NH2-C 3.28Å; R1202-L1244 PolarHBondContact NH2-O 3.27Å; R1202-D1245 IonicContact CZ-OD1 3.1Å; R1202-D1245 IonicContact NH1-OD1 3.65Å; R1202-D1245 VanDerWaalsContact NH2-CA 3.28Å; R1202-D1245 IonicContact NH2-OD1 3.91Å; R1202-D1245 PolarHBondContact NH2-OD1 2.85Å; R1202-S1248 PolarHBondContact NH2-OG 3.3Å
1203K78.5Confident78.6Confident116 Ų11657.4 Ų57.450%0.50426%0.261SS..Hα-helixtrans-61.4-37.7179.1-169.5173.8-172.3171.80111.9N1199 I1201 R1207N1199-K1203 VanDerWaalsContact O-CB 3.29Å; N1199-K1203 WeakPolarHBondContact O-CB 3.42Å; N1199-K1203 PolarHBondContact O-N 2.78Å; I1201-K1203 PolarHBondContact O-N 3.2Å; K1203-R1207 VanDerWaalsContact O-CB 3.31Å; K1203-R1207 WeakPolarHBondContact O-CB 3.49Å; K1203-R1207 PolarHBondContact O-N 3.31Å
1204T81.4Confident79.1Confident10 Ų1059.8 Ų59.86%0.06127%0.267CS..Hα-helixtrans-69.1-42.9176.2-51.60000111.2I1200 I1201 R1202 R1207 E1208 Y1297I1200-T1204 WeakPolarHBondContact O-CB 3.5Å; I1200-T1204 PolarHBondContact O-N 2.97Å; I1200-T1204 PolarHBondContact O-OG1 3.1Å; I1201-T1204 PolarHBondContact O-N 2.98Å; I1201-T1204 VanDerWaalsContact O-N 3.14Å; R1202-T1204 VanDerWaalsContact C-N 3.28Å; R1202-T1204 PolarHBondContact O-N 3.37Å; T1204-R1207 PolarHBondContact O-N 3.26Å; T1204-E1208 WeakPolarHBondContact O-CG 3.46Å; T1204-E1208 PolarHBondContact O-N 2.85Å; T1204-Y1297 HydrophobicContact CG2-CD1 3.43Å; T1204-Y1297 VanDerWaalsContact CG2-CD1 3.43Å; T1204-Y1297 HydrophobicContact CG2-CD2 3.94Å; T1204-Y1297 HydrophobicContact CG2-CE1 3.66Å; T1204-Y1297 HydrophobicContact CG2-CE2 4.18Å; T1204-Y1297 HydrophobicContact CG2-CG 3.57Å
1205I83.7Confident79.3Confident8 Ų860 Ų604%0.04127%0.268CS..Hα-helixtrans-59-51175.1-71.4169.7000110.7I1201 R1202 R1207 E1208 Q1209 V1236 L1244 Y1297 Y1300 L1301I1201-I1205 HydrophobicContact CG2-CD1 3.74Å; I1201-I1205 HydrophobicContact CG2-CG1 4.32Å; I1201-I1205 WeakPolarHBondContact O-CG1 3.14Å; I1201-I1205 PolarHBondContact O-N 3.25Å; R1202-I1205 WeakPolarHBondContact O-CB 3.39Å; R1202-I1205 PolarHBondContact O-N 2.95Å; R1202-I1205 VanDerWaalsContact O-N 3.17Å; I1205-R1207 PolarHBondContact O-N 2.86Å; I1205-E1208 PolarHBondContact O-N 2.72Å; I1205-Q1209 HydrophobicContact CG2-CG 4.41Å; I1205-Q1209 WeakPolarHBondContact O-CG 3.41Å; I1205-Q1209 PolarHBondContact O-N 3.23Å; I1205-V1236 HydrophobicContact CG2-CG2 4.02Å; I1205-L1244 HydrophobicContact CD1-CD1 3.92Å; I1205-Y1297 HydrophobicContact CG1-CD2 4.29Å; I1205-Y1300 HydrophobicContact CD1-CD1 4.08Å; I1205-Y1300 HydrophobicContact CD1-CG 3.87Å; I1205-L1301 HydrophobicContact CG2-CD2 3.79Å
1206Q79.5Confident79.7Confident84 Ų8454.5 Ų54.539%0.39325%0.249SC..Hα-helixtrans-61.4-43.9-178.8-172.1179.31800111.5E636 R1202 E1208 Q1209 N1210E636-Q1206 PolarHBondContact OE1-NE2 3.21Å; R1202-Q1206 WeakPolarHBondContact O-CB 3.21Å; R1202-Q1206 PolarHBondContact O-N 3.26Å; Q1206-E1208 VanDerWaalsContact C-N 3.33Å; Q1206-E1208 PolarHBondContact O-N 2.69Å; Q1206-Q1209 PolarHBondContact O-N 3.04Å; Q1206-N1210 WeakPolarHBondContact O-CB 3.47Å; Q1206-N1210 PolarHBondContact O-N 3.1Å
1207R79.5Confident79.7Confident139 Ų13957.8 Ų57.853%0.52526%0.26SS..Hα-helixtrans-57.7-45.6175-175.7-171.9-63.4152.4-0.5111.6K1203 T1204 I1205 N1210 R1211K1203-R1207 VanDerWaalsContact O-CB 3.31Å; K1203-R1207 WeakPolarHBondContact O-CB 3.49Å; K1203-R1207 PolarHBondContact O-N 3.31Å; T1204-R1207 PolarHBondContact O-N 3.26Å; I1205-R1207 PolarHBondContact O-N 2.86Å; R1207-N1210 PolarHBondContact O-N 2.79Å; R1207-R1211 WeakPolarHBondContact O-CB 3.46Å; R1207-R1211 PolarHBondContact O-N 3.03Å
1208E81.5Confident79.4Confident15 Ų1559 Ų597%0.0727%0.272CS..Hα-helixtrans-72.5-34.6179.9-68.3-58.2139.400112.5L179 T1204 I1205 Q1206 R1211 I1212 Y1297L179-E1208 HydrophobicContact CD2-CB 3.84Å; L179-E1208 HydrophobicContact CD2-CG 4.12Å; T1204-E1208 WeakPolarHBondContact O-CG 3.46Å; T1204-E1208 PolarHBondContact O-N 2.85Å; I1205-E1208 PolarHBondContact O-N 2.72Å; Q1206-E1208 VanDerWaalsContact C-N 3.33Å; Q1206-E1208 PolarHBondContact O-N 2.69Å; E1208-R1211 WeakPolarHBondContact O-CB 3.08Å; E1208-R1211 PolarHBondContact O-N 3.39Å; E1208-R1211 IonicContact OE2-NH1 3.96Å; E1208-R1211 PolarHBondContact OE2-NH1 2.75Å; E1208-R1211 VanDerWaalsContact OE2-NH1 3.14Å; E1208-I1212 WeakPolarHBondContact O-CG1 3.25Å; E1208-I1212 PolarHBondContact O-N 3.09Å; E1208-Y1297 HydrophobicContact CB-CE2 4.18Å; E1208-Y1297 HydrophobicContact CG-CE2 3.59Å
1209Q82.7Confident79Confident65 Ų6559 Ų5930%0.30427%0.272SS..Hα-helixtrans-60.8-45171-76.8179.2-45.600111.5I1205 Q1206 R1211 I1212 R1213 V1234I1205-Q1209 HydrophobicContact CG2-CG 4.41Å; I1205-Q1209 WeakPolarHBondContact O-CG 3.41Å; I1205-Q1209 PolarHBondContact O-N 3.23Å; Q1206-Q1209 PolarHBondContact O-N 3.04Å; Q1209-R1211 VanDerWaalsContact C-N 3.32Å; Q1209-R1211 PolarHBondContact O-N 3.35Å; Q1209-I1212 PolarHBondContact O-N 2.78Å; Q1209-R1213 WeakPolarHBondContact O-CB 3.43Å; Q1209-R1213 PolarHBondContact O-N 3.32Å; Q1209-V1234 HydrophobicContact CG-CB 4.46Å; Q1209-V1234 HydrophobicContact CG-CG1 4.04Å; Q1209-V1234 PolarHBondContact NE2-O 2.95Å
1210N78.6Confident78.6Confident78 Ų7861 Ų6142%0.41728%0.279SS..Hα-helixtrans-61.5-40.7175.1-74.6-15.1000111.6Q1206 R1207 R1213 M1214Q1206-N1210 WeakPolarHBondContact O-CB 3.47Å; Q1206-N1210 PolarHBondContact O-N 3.1Å; R1207-N1210 PolarHBondContact O-N 2.79Å; N1210-R1213 WeakPolarHBondContact O-CB 3.33Å; N1210-R1213 PolarHBondContact O-N 2.7Å; N1210-M1214 PolarHBondContact O-N 2.81Å
1211R77.7Confident78.1Confident38 Ų3863.3 Ų63.314%0.14329%0.292CS..Hα-helixtrans-62.3-43.3174.8-172.9177.4173.4-128.1-2.9112.3L178 R1207 E1208 Q1209 R1213 M1214 L1215 S1341L178-R1211 PolarHBondContact O-NH1 2.75Å; R1207-R1211 WeakPolarHBondContact O-CB 3.46Å; R1207-R1211 PolarHBondContact O-N 3.03Å; E1208-R1211 WeakPolarHBondContact O-CB 3.08Å; E1208-R1211 PolarHBondContact O-N 3.39Å; E1208-R1211 IonicContact OE2-NH1 3.96Å; E1208-R1211 PolarHBondContact OE2-NH1 2.75Å; E1208-R1211 VanDerWaalsContact OE2-NH1 3.14Å; Q1209-R1211 VanDerWaalsContact C-N 3.32Å; Q1209-R1211 PolarHBondContact O-N 3.35Å; R1211-R1213 VanDerWaalsContact C-N 3.34Å; R1211-M1214 PolarHBondContact O-N 2.94Å; R1211-L1215 PolarHBondContact O-N 2.86Å; R1211-S1341 PolarHBondContact NH2-O 2.77Å; R1211-S1341 PolarHBondContact NH2-OG 2.92Å
1212I82.1Confident77.5Confident2 Ų263.6 Ų63.61%0.0129%0.294CS..Hα-helixtrans-66.8-37.1174.9-62.4-60.1000111.3L178 L179 E1208 Q1209 M1214 L1215 N1216 L1232 V1234L178-I1212 HydrophobicContact CB-CD1 4.26Å; L178-I1212 HydrophobicContact CD1-CD1 4.27Å; L179-I1212 HydrophobicContact CD2-CD1 4.42Å; L179-I1212 HydrophobicContact CD2-CG1 4.45Å; E1208-I1212 WeakPolarHBondContact O-CG1 3.25Å; E1208-I1212 PolarHBondContact O-N 3.09Å; Q1209-I1212 PolarHBondContact O-N 2.78Å; I1212-M1214 VanDerWaalsContact C-N 3.32Å; I1212-M1214 PolarHBondContact O-N 2.69Å; I1212-L1215 HydrophobicContact CD1-CD1 4.02Å; I1212-L1215 PolarHBondContact O-N 2.87Å; I1212-N1216 PolarHBondContact O-N 2.98Å; I1212-L1232 HydrophobicContact CG2-CB 3.84Å; I1212-L1232 HydrophobicContact CG2-CD1 4.48Å; I1212-V1234 HydrophobicContact CB-CG2 3.92Å; I1212-V1234 HydrophobicContact CG1-CG2 3.93Å; I1212-V1234 HydrophobicContact CG2-CG2 3.54Å
1213R79.9Confident77.3Confident173 Ų17361.6 Ų61.665%0.65329%0.293SS*.Hα-helixtrans-59.3-42.7173.7-175-176.6-109.4172.2-6111.5Q1209 N1210 R1211 N1216 Q1217Q1209-R1213 WeakPolarHBondContact O-CB 3.43Å; Q1209-R1213 PolarHBondContact O-N 3.32Å; N1210-R1213 WeakPolarHBondContact O-CB 3.33Å; N1210-R1213 PolarHBondContact O-N 2.7Å; R1211-R1213 VanDerWaalsContact C-N 3.34Å; R1213-N1216 WeakPolarHBondContact O-CB 3.25Å; R1213-N1216 PolarHBondContact O-N 2.97Å; R1213-Q1217 PolarHBondContact O-N 3.23Å
1214M74.6Confident77.3Confident112 Ų11256.1 Ų56.155%0.55227%0.269SS*.Hα-helixtrans-63-43.1173.3-70.4-168-69.500112.2N1210 R1211 I1212 N1216 Q1217N1210-M1214 PolarHBondContact O-N 2.81Å; R1211-M1214 PolarHBondContact O-N 2.94Å; I1212-M1214 VanDerWaalsContact C-N 3.32Å; I1212-M1214 PolarHBondContact O-N 2.69Å; M1214-N1216 VanDerWaalsContact C-N 3.28Å; M1214-N1216 PolarHBondContact O-N 2.99Å; M1214-Q1217 WeakPolarHBondContact O-CB 3.49Å; M1214-Q1217 PolarHBondContact O-N 2.78Å
1215L77.2Confident77.1Confident8 Ų858.7 Ų58.74%0.04230%0.297CS..Hα-helixtrans-62.7-36.1176-68.5172.3000112.1L178 R1211 I1212 Q1217 G1218 M1337 Q1340L178-L1215 HydrophobicContact CD2-CD1 4.49Å; R1211-L1215 PolarHBondContact O-N 2.86Å; I1212-L1215 HydrophobicContact CD1-CD1 4.02Å; I1212-L1215 PolarHBondContact O-N 2.87Å; L1215-Q1217 VanDerWaalsContact C-N 3.34Å; L1215-Q1217 PolarHBondContact O-N 3.17Å; L1215-G1218 PolarHBondContact O-N 2.88Å; L1215-M1337 HydrophobicContact CB-CE 3.37Å; L1215-M1337 HydrophobicContact CD1-CE 4.41Å; L1215-M1337 HydrophobicContact CG-CE 4.5Å; L1215-Q1340 HydrophobicContact CD2-CB 4.37Å; L1215-Q1340 HydrophobicContact CD2-CG 4.01Å
1216N81.1Confident77Confident23 Ų2364.7 Ų64.712%0.12333%0.325CS..Hα-helixtrans-64.7-34.8176.6-76.8-25.1000112.8I1212 R1213 M1214 G1218 L1219 Q1220 R1231 L1232 M1337I1212-N1216 PolarHBondContact O-N 2.98Å; R1213-N1216 WeakPolarHBondContact O-CB 3.25Å; R1213-N1216 PolarHBondContact O-N 2.97Å; M1214-N1216 VanDerWaalsContact C-N 3.28Å; M1214-N1216 PolarHBondContact O-N 2.99Å; N1216-G1218 PolarHBondContact O-N 2.91Å; N1216-L1219 PolarHBondContact O-N 3.46Å; N1216-Q1220 PolarHBondContact O-N 3.24Å; N1216-R1231 HydrophobicContact CB-CB 4.46Å; N1216-R1231 WeakPolarHBondContact OD1-CA 3.42Å; N1216-L1232 PolarHBondContact ND2-O 3.41Å; N1216-L1232 PolarHBondContact OD1-N 2.96Å; N1216-M1337 WeakPolarHBondContact OD1-CE 3.48Å
1217Q74.8Confident77.2Confident106 Ų10660.7 Ų60.750%0.49531%0.306SS..Hα-helixtrans-59.3-35.6175.9-70.5173-14.800111.7R1213 M1214 L1215 L1219 Q1220R1213-Q1217 PolarHBondContact O-N 3.23Å; M1214-Q1217 WeakPolarHBondContact O-CB 3.49Å; M1214-Q1217 PolarHBondContact O-N 2.78Å; L1215-Q1217 VanDerWaalsContact C-N 3.34Å; L1215-Q1217 PolarHBondContact O-N 3.17Å; Q1217-L1219 PolarHBondContact O-N 3.3Å; Q1217-Q1220 PolarHBondContact O-N 3.38Å
1218G69Low77.3Confident25 Ų2558 Ų5826%0.25830%0.302SS..Hα-helixtrans-63.1-23.8174.600000114.3L1215 N1216L1215-G1218 PolarHBondContact O-N 2.88Å; N1216-G1218 PolarHBondContact O-N 2.91Å
1219L73.9Confident77.5Confident2 Ų257.8 Ų57.81%0.0130%0.303CS..Hα-helixtrans-101.2-9.4-178.5-67.2-172.2000114.9N1216 Q1217 N1221 V1222 V1230 M1337 L1379N1216-L1219 PolarHBondContact O-N 3.46Å; Q1217-L1219 PolarHBondContact O-N 3.3Å; L1219-N1221 PolarHBondContact O-N 2.69Å; L1219-N1221 VanDerWaalsContact O-N 3.1Å; L1219-V1222 HydrophobicContact CD2-CG2 4.19Å; L1219-V1222 WeakPolarHBondContact O-CB 3.3Å; L1219-V1222 WeakPolarHBondContact O-CG2 3.09Å; L1219-V1222 PolarHBondContact O-N 2.88Å; L1219-V1230 WeakPolarHBondContact CB-O 3.41Å; L1219-V1230 HydrophobicContact CD1-CB 4.4Å; L1219-V1230 HydrophobicContact CD1-CG1 4.36Å; L1219-M1337 HydrophobicContact CD1-CE 4.29Å; L1219-M1337 HydrophobicContact CD1-CG 3.71Å; L1219-M1337 HydrophobicContact CD1-SD 3.28Å; L1219-M1337 WeakPolarHBondContact CD1-SD 3.32Å; L1219-M1337 HydrophobicContact CG-CG 4.2Å; L1219-M1337 HydrophobicContact CG-SD 4.25Å; L1219-L1379 HydrophobicContact CD2-CD1 4.33Å
1220Q70.1Confident77.6Confident120 Ų12054.8 Ų54.856%0.56129%0.289SS*.THydrogen-bonded Turntrans-56.9-31.6-174.7-81.5-178.8-11.200113.5N1216 Q1217 S1229N1216-Q1220 PolarHBondContact O-N 3.24Å; Q1217-Q1220 PolarHBondContact O-N 3.38Å; Q1220-S1229 WeakPolarHBondContact O-CB 3.41Å
1221N69Low77.9Confident120 Ų12054.8 Ų54.864%0.64228%0.283SS*.THydrogen-bonded Turntrans-94.914.6-177-61.1-10.1000113.5L1219L1219-N1221 PolarHBondContact O-N 2.69Å; L1219-N1221 VanDerWaalsContact O-N 3.1Å
1222V71.1Confident78.3Confident10 Ų1053.1 Ų53.16%0.06128%0.277CS..  trans-106.2110.1-172-172.40000110.2L1219 F1224 N1228 S1229 T1375 L1379L1219-V1222 HydrophobicContact CD2-CG2 4.19Å; L1219-V1222 WeakPolarHBondContact O-CB 3.3Å; L1219-V1222 WeakPolarHBondContact O-CG2 3.09Å; L1219-V1222 PolarHBondContact O-N 2.88Å; V1222-F1224 HydrophobicContact CG1-CD2 4.45Å; V1222-F1224 HydrophobicContact CG1-CE1 4.4Å; V1222-F1224 HydrophobicContact CG1-CE2 3.49Å; V1222-F1224 VanDerWaalsContact CG1-CE2 3.49Å; V1222-F1224 HydrophobicContact CG1-CZ 3.46Å; V1222-F1224 VanDerWaalsContact CG1-CZ 3.46Å; V1222-N1228 CarbonylContact C-O 3.18Å; V1222-S1229 WeakPolarHBondContact O-CA 3.13Å; V1222-T1375 HydrophobicContact CG1-CG2 4.47Å; V1222-L1379 HydrophobicContact CB-CD1 4.16Å; V1222-L1379 HydrophobicContact CG1-CD1 3.53Å; V1222-L1379 HydrophobicContact CG2-CD1 3.5Å; V1222-L1379 VanDerWaalsContact CG2-CD1 3.5Å
1223S76.9Confident78.5Confident40 Ų4054.9 Ų54.928%0.2829%0.286SS..  trans-117140.3-177.467.50000113.4V1227 N1228S1223-V1227 CarbonylContact C-O 3.56Å; S1223-V1227 WeakPolarHBondContact CA-O 3.41Å; S1223-V1227 VanDerWaalsContact CB-O 3.3Å; S1223-V1227 WeakPolarHBondContact CB-O 3.36Å; S1223-N1228 WeakPolarHBondContact CB-O 3.45Å
1224F79Confident78.9Confident1 Ų147.4 Ų47.40%0.00426%0.26CS..BIsolated β-bridgetrans-134.7117.3174.4-54.6-73.6000110.2V1222 Q1226 V1227 E1326 G1329 S1333 T1375 L1376V1222-F1224 HydrophobicContact CG1-CD2 4.45Å; V1222-F1224 HydrophobicContact CG1-CE1 4.4Å; V1222-F1224 HydrophobicContact CG1-CE2 3.49Å; V1222-F1224 VanDerWaalsContact CG1-CE2 3.49Å; V1222-F1224 HydrophobicContact CG1-CZ 3.46Å; V1222-F1224 VanDerWaalsContact CG1-CZ 3.46Å; F1224-Q1226 PolarHBondContact O-N 3.24Å; F1224-Q1226 VanDerWaalsContact O-N 3.12Å; F1224-V1227 PolarHBondContact N-O 3.33Å; F1224-V1227 WeakPolarHBondContact O-CB 3.37Å; F1224-V1227 PolarHBondContact O-N 2.78Å; F1224-E1326 WeakPolarHBondContact O-CG 3.46Å; F1224-G1329 VanDerWaalsContact CE2-O 3.32Å; F1224-G1329 WeakPolarHBondContact CE2-O 3.35Å; F1224-S1333 WeakPolarHBondContact CE2-OG 3.31Å; F1224-T1375 HydrophobicContact CE1-CG2 4.34Å; F1224-L1376 HydrophobicContact CE1-CD2 3.76Å; F1224-L1376 HydrophobicContact CE1-CG 3.93Å; F1224-L1376 HydrophobicContact CZ-CD2 3.85Å
1225G77.9Confident79.4Confident64 Ų6445.4 Ų45.466%0.6625%0.251SS*.THydrogen-bonded Turntrans59.4-115.7-179.400000112.4
1226Q81.5Confident80Confident134 Ų13447.4 Ų47.463%0.62626%0.264SS*.THydrogen-bonded Turntrans-91.4-6.9174.8-63.7-175.5-20.500113.4F1224 N1228 R1309 E1326F1224-Q1226 PolarHBondContact O-N 3.24Å; F1224-Q1226 VanDerWaalsContact O-N 3.12Å; Q1226-N1228 PolarHBondContact O-N 3.32Å; Q1226-R1309 WeakPolarHBondContact O-CA 3.37Å; Q1226-E1326 PolarHBondContact N-OE1 3.26Å
1227V83.5Confident80.4Confident0 Ų049.9 Ų49.90%027%0.271CS..BIsolated β-bridgetrans-79.7111.1174.41780000108.3S1223 F1224 V1230 V1307 N1308 L1322 E1326S1223-V1227 CarbonylContact C-O 3.56Å; S1223-V1227 WeakPolarHBondContact CA-O 3.41Å; S1223-V1227 VanDerWaalsContact CB-O 3.3Å; S1223-V1227 WeakPolarHBondContact CB-O 3.36Å; F1224-V1227 PolarHBondContact N-O 3.33Å; F1224-V1227 WeakPolarHBondContact O-CB 3.37Å; F1224-V1227 PolarHBondContact O-N 2.78Å; V1227-V1230 HydrophobicContact CG1-CG2 4.02Å; V1227-V1307 HydrophobicContact CG1-CB 3.82Å; V1227-V1307 HydrophobicContact CG1-CG1 3.85Å; V1227-V1307 HydrophobicContact CG2-CB 4.18Å; V1227-V1307 HydrophobicContact CG2-CG1 4.32Å; V1227-N1308 CarbonylContact C-O 3.42Å; V1227-N1308 WeakPolarHBondContact CA-O 3.36Å; V1227-L1322 HydrophobicContact CG2-CD2 3.81Å; V1227-E1326 HydrophobicContact CG2-CB 4.21Å; V1227-E1326 HydrophobicContact CG2-CG 3.95Å
1228N82.1Confident80.9Confident82 Ų8253 Ų5344%0.43929%0.286SS..  trans-79.6-34.9179.2-67.8-24.8000112.4V1222 S1223 Q1226 N1308V1222-N1228 CarbonylContact C-O 3.18Å; S1223-N1228 WeakPolarHBondContact CB-O 3.45Å; Q1226-N1228 PolarHBondContact O-N 3.32Å; N1228-N1308 PolarHBondContact N-O 2.99Å
1229S84.4Confident81.8Confident11 Ų1153.6 Ų53.68%0.07729%0.285CS..EExtended strand (participates in β ladder)trans-154.8155.5-178.461.80000111.8Q1220 V1222 N1308 W1314Q1220-S1229 WeakPolarHBondContact O-CB 3.41Å; V1222-S1229 WeakPolarHBondContact O-CA 3.13Å; S1229-N1308 PolarHBondContact O-N 3.5Å; S1229-N1308 WeakPolarHBondContact OG-CB 3.36Å; S1229-W1314 WeakPolarHBondContact OG-CH2 3.16Å; S1229-W1314 WeakPolarHBondContact OG-CZ2 3.48Å
1230V84.6Confident82.7Confident2 Ų254.1 Ų54.11%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-121.6139.4177.6-176.80000109.2L1219 V1227 V1305 V1307 T1330L1219-V1230 WeakPolarHBondContact CB-O 3.41Å; L1219-V1230 HydrophobicContact CD1-CB 4.4Å; L1219-V1230 HydrophobicContact CD1-CG1 4.36Å; V1227-V1230 HydrophobicContact CG1-CG2 4.02Å; V1230-V1305 HydrophobicContact CG1-CG1 4.33Å; V1230-V1307 HydrophobicContact CG2-CG1 4.37Å; V1230-T1330 HydrophobicContact CG1-CG2 3.88Å; V1230-T1330 HydrophobicContact CG2-CG2 4.13Å
1231R86.1Confident83.5Confident77 Ų7749.8 Ų49.829%0.29127%0.271SS..EExtended strand (participates in β ladder)trans-143160.1172.377.8-177.3178.6178.22.2112.2N1216 E1306 W1314N1216-R1231 HydrophobicContact CB-CB 4.46Å; N1216-R1231 WeakPolarHBondContact OD1-CA 3.42Å; R1231-E1306 HydrophobicContact CG-CB 4.05Å; R1231-E1306 IonicContact CZ-OE2 3.29Å; R1231-E1306 PolarHBondContact N-O 3.1Å; R1231-E1306 IonicContact NE-OE2 3.82Å; R1231-E1306 PolarHBondContact NE-OE2 3.12Å; R1231-E1306 IonicContact NH2-OE2 2.95Å; R1231-E1306 PolarHBondContact NH2-OE2 3.33Å; R1231-E1306 PolarHBondContact O-N 3.38Å; R1231-W1314 HydrophobicContact CB-CH2 3.81Å; R1231-W1314 HydrophobicContact CB-CZ3 3.75Å; R1231-W1314 HydrophobicContact CG-CD2 4.25Å; R1231-W1314 HydrophobicContact CG-CE3 3.65Å; R1231-W1314 HydrophobicContact CG-CH2 3.76Å; R1231-W1314 HydrophobicContact CG-CZ2 4.37Å; R1231-W1314 HydrophobicContact CG-CZ3 3.38Å; R1231-W1314 VanDerWaalsContact CZ-CG 3.42Å; R1231-W1314 VanDerWaalsContact NE-CD2 3.29Å; R1231-W1314 VanDerWaalsContact NH2-CG 3.35Å
1232L86.8Confident84.4Confident3 Ų348.1 Ų48.12%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-97.1121.7163.3-62.2-179.4000109.3L174 L178 I1212 N1216 E1304 V1305 M1337L174-L1232 HydrophobicContact CD1-CD2 4.24Å; L178-L1232 HydrophobicContact CD1-CD1 3.24Å; I1212-L1232 HydrophobicContact CG2-CB 3.84Å; I1212-L1232 HydrophobicContact CG2-CD1 4.48Å; N1216-L1232 PolarHBondContact ND2-O 3.41Å; N1216-L1232 PolarHBondContact OD1-N 2.96Å; L1232-E1304 WeakPolarHBondContact CA-O 3.41Å; L1232-V1305 HydrophobicContact CD2-CG2 3.82Å; L1232-M1337 HydrophobicContact CB-CE 4.27Å; L1232-M1337 HydrophobicContact CD1-CE 3.34Å; L1232-M1337 HydrophobicContact CD1-SD 3.54Å; L1232-M1337 VanDerWaalsContact CD1-SD 3.54Å; L1232-M1337 HydrophobicContact CG-CE 3.64Å; L1232-M1337 HydrophobicContact CG-SD 3.67Å
1233N85.6Confident85.4Confident39 Ų3947.7 Ų47.721%0.20926%0.258CS..EExtended strand (participates in β ladder)trans-92.7134.9170.4-166.314.8000109.2N1235 M1303 E1304 E1306N1233-N1235 PolarHBondContact OD1-OD1 3.11Å; N1233-M1303 VanDerWaalsContact O-CA 3.31Å; N1233-M1303 WeakPolarHBondContact O-CA 3.42Å; N1233-E1304 PolarHBondContact N-O 3.15Å; N1233-E1304 PolarHBondContact O-N 3.03Å; N1233-E1306 HydrophobicContact CB-CG 4.24Å; N1233-E1306 WeakPolarHBondContact CB-OE1 3.45Å; N1233-E1306 PolarHBondContact ND2-OE1 3.08Å
1234V87.6Confident85.9Confident16 Ų1646.1 Ų46.110%0.09725%0.247CC..EExtended strand (participates in β ladder)trans-126.5103.3-175.9-175.40000108.7Q1209 I1212 L1301 E1302 M1303Q1209-V1234 HydrophobicContact CG-CB 4.46Å; Q1209-V1234 HydrophobicContact CG-CG1 4.04Å; Q1209-V1234 PolarHBondContact NE2-O 2.95Å; I1212-V1234 HydrophobicContact CB-CG2 3.92Å; I1212-V1234 HydrophobicContact CG1-CG2 3.93Å; I1212-V1234 HydrophobicContact CG2-CG2 3.54Å; V1234-L1301 HydrophobicContact CG1-CB 4.27Å; V1234-L1301 HydrophobicContact CG1-CD1 4.24Å; V1234-L1301 HydrophobicContact CG1-CD2 3.66Å; V1234-L1301 HydrophobicContact CG1-CG 4.26Å; V1234-E1302 WeakPolarHBondContact CA-O 3.31Å; V1234-M1303 HydrophobicContact CB-CG 4.48Å; V1234-M1303 HydrophobicContact CG1-CG 4.19Å; V1234-M1303 HydrophobicContact CG2-CG 3.98Å; V1234-M1303 HydrophobicContact CG2-SD 3.96Å
1235N86Confident86.2Confident71 Ų7149.2 Ų49.238%0.3826%0.263SS..EExtended strand (participates in β ladder)trans-103.5147.6-180-62.9-35.1000110.1N1233 L1301 E1302N1233-N1235 PolarHBondContact OD1-OD1 3.11Å; N1235-L1301 WeakPolarHBondContact O-CA 3.46Å; N1235-E1302 PolarHBondContact N-O 2.75Å; N1235-E1302 PolarHBondContact O-N 3.08Å
1236V88.3Confident86.6Confident49 Ų4946.6 Ų46.630%0.29724%0.235SC..EExtended strand (participates in β ladder)trans-87.3131.7170.7-172.50000107.9I1205 E1238 A1241 Y1300 L1301I1205-V1236 HydrophobicContact CG2-CG2 4.02Å; V1236-E1238 PolarHBondContact O-N 3.34Å; V1236-A1241 HydrophobicContact CG1-CB 3.97Å; V1236-Y1300 CarbonylContact C-O 3.56Å; V1236-Y1300 VanDerWaalsContact CA-O 3.31Å; V1236-Y1300 WeakPolarHBondContact CA-O 3.45Å; V1236-L1301 HydrophobicContact CG2-CD2 4.15Å
1237R89.6Confident86.8Confident75 Ų7540.3 Ų40.328%0.28321%0.205SC..PPolyproline II helixtrans-60.5126.3175-69.2-173.9170.4156.8-0.8110.3T1239 H1240 A1241 N1299 Y1300 E1302R1237-T1239 VanDerWaalsContact C-N 3.3Å; R1237-T1239 PolarHBondContact O-N 3.33Å; R1237-H1240 HydrophobicContact CB-CB 4.08Å; R1237-H1240 PolarHBondContact O-N 2.97Å; R1237-A1241 PolarHBondContact O-N 3.38Å; R1237-N1299 WeakPolarHBondContact CD-O 3.24Å; R1237-N1299 PolarHBondContact NH1-O 3.15Å; R1237-Y1300 PolarHBondContact N-O 3.3Å; R1237-E1302 HydrophobicContact CG-CG 3.59Å; R1237-E1302 WeakPolarHBondContact CG-OE1 3.46Å; R1237-E1302 IonicContact CZ-OE1 3.58Å; R1237-E1302 IonicContact NE-OE1 3.42Å; R1237-E1302 PolarHBondContact NE-OE1 3.18Å; R1237-E1302 IonicContact NH2-OE1 3.89Å
1238E85.7Confident86.5Confident171 Ų17140.9 Ų40.980%0.79921%0.209SC*.Hα-helixtrans-54.3-44.8-179.1-66.8-178.5170.300112.6V1236 H1240 A1241 M1242V1236-E1238 PolarHBondContact O-N 3.34Å; E1238-H1240 PolarHBondContact O-N 3.27Å; E1238-A1241 PolarHBondContact O-N 3.41Å; E1238-M1242 WeakPolarHBondContact O-CB 3.35Å; E1238-M1242 PolarHBondContact O-N 3.38Å
1239T89Confident86.3Confident38 Ų3844 Ų4423%0.23322%0.221CC..Hα-helixtrans-63.5-29-179.263.70000113R1237 Y1273 N1277 I1280R1237-T1239 VanDerWaalsContact C-N 3.3Å; R1237-T1239 PolarHBondContact O-N 3.33Å; T1239-Y1273 PolarHBondContact OG1-OH 3.12Å; T1239-N1277 WeakPolarHBondContact CB-OD1 3.32Å; T1239-N1277 WeakPolarHBondContact CG2-OD1 3.42Å; T1239-N1277 PolarHBondContact O-ND2 2.92Å; T1239-I1280 HydrophobicContact CG2-CD1 4.12Å
1240H91.5Very high85.9Confident14 Ų1447.5 Ų47.57%0.06524%0.236CC..Hα-helixtrans-90.5-32.5-179.9-65.158.5000111.5R1237 E1238 L1243 L1244 Y1273 N1299 Y1300R1237-H1240 HydrophobicContact CB-CB 4.08Å; R1237-H1240 PolarHBondContact O-N 2.97Å; E1238-H1240 PolarHBondContact O-N 3.27Å; H1240-L1243 WeakPolarHBondContact O-CB 3.4Å; H1240-L1243 PolarHBondContact O-N 2.94Å; H1240-L1244 PolarHBondContact O-N 3.42Å; H1240-L1244 VanDerWaalsContact O-N 3.14Å; H1240-Y1273 AromaticContact CE1-CZ 3.91Å; H1240-Y1273 PolarHBondContact CE1-OH 3.27Å; H1240-Y1273 VanDerWaalsContact CE1-OH 3.24Å; H1240-N1299 PolarHBondContact NE2-O 3.15Å; H1240-Y1300 HydrophobicContact CB-CD1 3.36Å; H1240-Y1300 HydrophobicContact CB-CE1 3.64Å; H1240-Y1300 HydrophobicContact CB-CG 3.95Å; H1240-Y1300 WeakPolarHBondContact O-CE1 3.33Å
1241A87.1Confident85.2Confident28 Ų2849.3 Ų49.323%0.23125%0.245CC..Hα-helixtrans-60.1-47.4169.800000110.6V1236 R1237 E1238 L1243 L1244 D1245V1236-A1241 HydrophobicContact CG1-CB 3.97Å; R1237-A1241 PolarHBondContact O-N 3.38Å; E1238-A1241 PolarHBondContact O-N 3.41Å; A1241-L1243 VanDerWaalsContact C-N 3.25Å; A1241-L1243 PolarHBondContact O-N 3.21Å; A1241-L1244 WeakPolarHBondContact O-CA 3.29Å; A1241-L1244 WeakPolarHBondContact O-CB 3.38Å; A1241-L1244 PolarHBondContact O-N 3.31Å; A1241-D1245 PolarHBondContact O-N 3.42Å
1242M89.1Confident84.6Confident86 Ų8653.3 Ų53.342%0.42427%0.267SS..Hα-helixtrans-55.3-40.2175-174.2-169-67.200112.2E1238 D1245 V1246 L1276E1238-M1242 WeakPolarHBondContact O-CB 3.35Å; E1238-M1242 PolarHBondContact O-N 3.38Å; M1242-D1245 PolarHBondContact O-N 2.89Å; M1242-V1246 HydrophobicContact CG-CG2 4.48Å; M1242-V1246 WeakPolarHBondContact O-CB 3.5Å; M1242-V1246 VanDerWaalsContact O-CG2 3.24Å; M1242-V1246 WeakPolarHBondContact O-CG2 3.38Å; M1242-V1246 PolarHBondContact O-N 3.29Å; M1242-L1276 HydrophobicContact SD-CB 4.11Å; M1242-L1276 HydrophobicContact SD-CD2 4.47Å
1243L90.4Very high84.2Confident0 Ų059.6 Ų59.60%030%0.296CS..Hα-helixtrans-61.3-44.6174.617969.1000111.4H1240 A1241 V1246 L1247 L1272 Y1273 L1276 L1294H1240-L1243 WeakPolarHBondContact O-CB 3.4Å; H1240-L1243 PolarHBondContact O-N 2.94Å; A1241-L1243 VanDerWaalsContact C-N 3.25Å; A1241-L1243 PolarHBondContact O-N 3.21Å; L1243-V1246 PolarHBondContact O-N 3.47Å; L1243-L1247 HydrophobicContact CD1-CD1 4.19Å; L1243-L1247 HydrophobicContact CD1-CG 4.4Å; L1243-L1247 HydrophobicContact CG-CD1 3.9Å; L1243-L1247 WeakPolarHBondContact O-CB 3.46Å; L1243-L1247 WeakPolarHBondContact O-CD1 3.41Å; L1243-L1247 WeakPolarHBondContact O-CG 3.24Å; L1243-L1247 PolarHBondContact O-N 3.1Å; L1243-L1272 HydrophobicContact CD1-CB 4.21Å; L1243-L1272 HydrophobicContact CD1-CD2 3.61Å; L1243-L1272 HydrophobicContact CD1-CG 3.73Å; L1243-Y1273 HydrophobicContact CB-CD2 4.42Å; L1243-Y1273 HydrophobicContact CD2-CD2 4.06Å; L1243-L1276 HydrophobicContact CB-CD1 4.39Å; L1243-L1276 HydrophobicContact CD1-CD1 3.97Å; L1243-L1294 HydrophobicContact CD2-CB 4.4Å; L1243-L1294 HydrophobicContact CD2-CD1 4.07Å; L1243-L1294 HydrophobicContact CD2-CD2 3.9Å; L1243-L1294 HydrophobicContact CD2-CG 4.35Å
1244L88.1Confident83.8Confident7 Ų759.3 Ų59.34%0.03729%0.293CS..Hα-helixtrans-66.4-35.3178.2-66.1175000112.8A1198 I1201 R1202 I1205 H1240 A1241 S1248 Y1300A1198-L1244 HydrophobicContact CB-CD2 4.15Å; I1201-L1244 HydrophobicContact CB-CD2 3.97Å; I1201-L1244 HydrophobicContact CD1-CD2 4.3Å; I1201-L1244 HydrophobicContact CG2-CD1 4.05Å; I1201-L1244 HydrophobicContact CG2-CD2 3.87Å; R1202-L1244 HydrophobicContact CG-CD1 4.1Å; R1202-L1244 VanDerWaalsContact NH2-C 3.28Å; R1202-L1244 PolarHBondContact NH2-O 3.27Å; I1205-L1244 HydrophobicContact CD1-CD1 3.92Å; H1240-L1244 PolarHBondContact O-N 3.42Å; H1240-L1244 VanDerWaalsContact O-N 3.14Å; A1241-L1244 WeakPolarHBondContact O-CA 3.29Å; A1241-L1244 WeakPolarHBondContact O-CB 3.38Å; A1241-L1244 PolarHBondContact O-N 3.31Å; L1244-S1248 WeakPolarHBondContact O-CB 3.31Å; L1244-S1248 PolarHBondContact O-N 3.16Å; L1244-S1248 VanDerWaalsContact O-N 3.11Å; L1244-S1248 PolarHBondContact O-OG 2.92Å; L1244-Y1300 HydrophobicContact CD1-CD1 3.6Å; L1244-Y1300 HydrophobicContact CD1-CE1 3.7Å; L1244-Y1300 HydrophobicContact CD2-CE1 3.83Å; L1244-Y1300 HydrophobicContact CG-CD1 4Å; L1244-Y1300 HydrophobicContact CG-CE1 3.56Å
1245D86.3Confident83.3Confident67 Ų6762.1 Ų62.136%0.35831%0.305SS..Hα-helixtrans-68.7-44.5176.9-65.4-29.4000111.3R1202 A1241 M1242 L1247 S1248 E1249R1202-D1245 IonicContact CZ-OD1 3.1Å; R1202-D1245 IonicContact NH1-OD1 3.65Å; R1202-D1245 VanDerWaalsContact NH2-CA 3.28Å; R1202-D1245 IonicContact NH2-OD1 3.91Å; R1202-D1245 PolarHBondContact NH2-OD1 2.85Å; A1241-D1245 PolarHBondContact O-N 3.42Å; M1242-D1245 PolarHBondContact O-N 2.89Å; D1245-L1247 VanDerWaalsContact C-N 3.34Å; D1245-L1247 PolarHBondContact O-N 2.99Å; D1245-S1248 PolarHBondContact O-N 3.47Å; D1245-S1248 PolarHBondContact O-OG 2.88Å; D1245-E1249 WeakPolarHBondContact O-CB 3.44Å; D1245-E1249 PolarHBondContact O-N 3.07Å
1246V85.7Confident83.1Confident9 Ų963 Ų636%0.05531%0.31CS..Hα-helixtrans-64.8-39.9176.8171.70000111.3M1242 L1243 S1248 Q1250 H1251 H1254 L1272 L1276M1242-V1246 HydrophobicContact CG-CG2 4.48Å; M1242-V1246 WeakPolarHBondContact O-CB 3.5Å; M1242-V1246 VanDerWaalsContact O-CG2 3.24Å; M1242-V1246 WeakPolarHBondContact O-CG2 3.38Å; M1242-V1246 PolarHBondContact O-N 3.29Å; L1243-V1246 PolarHBondContact O-N 3.47Å; V1246-S1248 VanDerWaalsContact C-N 3.31Å; V1246-S1248 PolarHBondContact O-N 2.85Å; V1246-Q1250 HydrophobicContact CG1-CB 4.35Å; V1246-Q1250 CarbonylContact O-C 3.02Å; V1246-Q1250 WeakPolarHBondContact O-CA 3.37Å; V1246-Q1250 PolarHBondContact O-N 3.39Å; V1246-Q1250 VanDerWaalsContact O-N 3.1Å; V1246-H1251 PolarHBondContact O-N 2.95Å; V1246-H1254 WeakPolarHBondContact CG1-CD2 3.35Å; V1246-L1272 HydrophobicContact CG1-CD1 4.14Å; V1246-L1272 HydrophobicContact CG1-CD2 4.26Å; V1246-L1276 HydrophobicContact CB-CD1 4.01Å; V1246-L1276 HydrophobicContact CG1-CD1 4.2Å; V1246-L1276 HydrophobicContact CG1-CD2 4.39Å; V1246-L1276 HydrophobicContact CG2-CD1 3.94Å; V1246-L1276 HydrophobicContact CG2-CD2 3.87Å
1247L84.6Confident82.8Confident2 Ų260.9 Ų60.91%0.0130%0.297CS..Hα-helixtrans-67.1-28.5175.9-71.7167.1000113.3R1195 A1198 L1243 D1245 F1258 L1269 L1272R1195-L1247 WeakPolarHBondContact CA-O 3.26Å; A1198-L1247 HydrophobicContact CB-CB 3.74Å; L1243-L1247 HydrophobicContact CD1-CD1 4.19Å; L1243-L1247 HydrophobicContact CD1-CG 4.4Å; L1243-L1247 HydrophobicContact CG-CD1 3.9Å; L1243-L1247 WeakPolarHBondContact O-CB 3.46Å; L1243-L1247 WeakPolarHBondContact O-CD1 3.41Å; L1243-L1247 WeakPolarHBondContact O-CG 3.24Å; L1243-L1247 PolarHBondContact O-N 3.1Å; D1245-L1247 VanDerWaalsContact C-N 3.34Å; D1245-L1247 PolarHBondContact O-N 2.99Å; L1247-F1258 HydrophobicContact CD2-CE1 4.4Å; L1247-F1258 HydrophobicContact CD2-CE2 3.88Å; L1247-F1258 HydrophobicContact CD2-CZ 3.52Å; L1247-L1269 HydrophobicContact CD1-CD2 3.54Å; L1247-L1269 HydrophobicContact CD2-CD2 3.93Å; L1247-L1269 HydrophobicContact CG-CD2 4.35Å; L1247-L1272 HydrophobicContact CD2-CD2 3.61Å; L1247-L1272 HydrophobicContact CG-CD2 3.97Å
1248S78.8Confident82.4Confident12 Ų1259.2 Ų59.28%0.08429%0.292CS..Hα-helixtrans-91.2-42.5-179.158.20000114R1202 L1244 D1245 V1246R1202-S1248 PolarHBondContact NH2-OG 3.3Å; L1244-S1248 WeakPolarHBondContact O-CB 3.31Å; L1244-S1248 PolarHBondContact O-N 3.16Å; L1244-S1248 VanDerWaalsContact O-N 3.11Å; L1244-S1248 PolarHBondContact O-OG 2.92Å; D1245-S1248 PolarHBondContact O-N 3.47Å; D1245-S1248 PolarHBondContact O-OG 2.88Å; V1246-S1248 VanDerWaalsContact C-N 3.31Å; V1246-S1248 PolarHBondContact O-N 2.85Å
1249E77.7Confident81.8Confident147 Ų14756.3 Ų56.369%0.68728%0.282SS*.Hα-helixtrans-105.5-33-169.2-64.1-179.3-176.700113.1D1245D1245-E1249 WeakPolarHBondContact O-CB 3.44Å; D1245-E1249 PolarHBondContact O-N 3.07Å
1250Q75.2Confident81Confident85 Ų8556.1 Ų56.140%0.39728%0.282SS..SBendtrans-116.319.7-173.2-59.4-178.81.700112.8V1246 E1252 Q1253V1246-Q1250 HydrophobicContact CG1-CB 4.35Å; V1246-Q1250 CarbonylContact O-C 3.02Å; V1246-Q1250 WeakPolarHBondContact O-CA 3.37Å; V1246-Q1250 PolarHBondContact O-N 3.39Å; V1246-Q1250 VanDerWaalsContact O-N 3.1Å; Q1250-E1252 PolarHBondContact O-N 3.23Å; Q1250-E1252 VanDerWaalsContact O-N 3.12Å; Q1250-Q1253 WeakPolarHBondContact O-CB 3.46Å; Q1250-Q1253 PolarHBondContact O-N 3.06Å
1251H70.6Confident80Confident40 Ų4061 Ų6119%0.18531%0.308CS..G310 helixtrans-53.3-38.4-176.4164.344.1000112.7S1194 V1246 Q1253 H1254 Q1255S1194-H1251 PolarHBondContact OG-CD2 3.25Å; S1194-H1251 VanDerWaalsContact OG-CD2 3.31Å; S1194-H1251 PolarHBondContact OG-CE1 2.74Å; S1194-H1251 PolarHBondContact OG-ND1 3.48Å; S1194-H1251 PolarHBondContact OG-NE2 3.25Å; V1246-H1251 PolarHBondContact O-N 2.95Å; H1251-Q1253 PolarHBondContact O-N 3.12Å; H1251-H1254 CarbonylContact O-C 3.39Å; H1251-H1254 PolarHBondContact O-N 2.72Å; H1251-Q1255 PolarHBondContact O-N 3.37Å; H1251-Q1255 VanDerWaalsContact O-N 3.16Å
1252E73Confident79.5Confident161 Ų16170.9 Ų70.975%0.75234%0.34SS*.G310 helixtrans-56.7-34.7180-65.2-172168.500112.9Q1250 H1254Q1250-E1252 PolarHBondContact O-N 3.23Å; Q1250-E1252 VanDerWaalsContact O-N 3.12Å; E1252-H1254 PolarHBondContact O-N 3.46Å
1253Q77.6Confident79.1Confident134 Ų13468.5 Ų68.563%0.62633%0.329SS*.G310 helixtrans-71.5-16.6-179.5-58.8-177.211.300113.3Q1250 H1251Q1250-Q1253 WeakPolarHBondContact O-CB 3.46Å; Q1250-Q1253 PolarHBondContact O-N 3.06Å; H1251-Q1253 PolarHBondContact O-N 3.12Å
1254H77.7Confident78.6Confident33 Ų3369.9 Ų69.915%0.15334%0.337CS..G310 helixtrans-125.521.4-177.2-58.2-51.4000112.8V1246 H1251 E1252 D1256 L1257 F1258 L1272V1246-H1254 WeakPolarHBondContact CG1-CD2 3.35Å; H1251-H1254 CarbonylContact O-C 3.39Å; H1251-H1254 PolarHBondContact O-N 2.72Å; E1252-H1254 PolarHBondContact O-N 3.46Å; H1254-D1256 WeakPolarHBondContact CA-OD1 3.5Å; H1254-D1256 PolarHBondContact O-N 2.86Å; H1254-L1257 PolarHBondContact O-N 3.39Å; H1254-F1258 WeakPolarHBondContact O-CD2 3.42Å; H1254-L1272 HydrophobicContact CB-CD1 3.99Å
1255Q76.3Confident78.3Confident75 Ų7571 Ų7135%0.3534%0.342SS..Hα-helixtrans-59.6-23.3173.2-86-175.58.100112.6H1251 L1257 F1258 N1259H1251-Q1255 PolarHBondContact O-N 3.37Å; H1251-Q1255 VanDerWaalsContact O-N 3.16Å; Q1255-L1257 PolarHBondContact O-N 2.89Å; Q1255-F1258 PolarHBondContact O-N 3.28Å; Q1255-N1259 VanDerWaalsContact O-CB 3.29Å; Q1255-N1259 WeakPolarHBondContact O-CB 3.25Å; Q1255-N1259 PolarHBondContact O-N 3.46Å
1256D82.3Confident78.3Confident91 Ų9168 Ų6849%0.48733%0.326SS..Hα-helixtrans-55.6-34.6175.372.9-51.8000113.1H1254 S1260 R1275H1254-D1256 WeakPolarHBondContact CA-OD1 3.5Å; H1254-D1256 PolarHBondContact O-N 2.86Å; D1256-S1260 WeakPolarHBondContact O-CB 3.32Å; D1256-R1275 IonicContact OD1-NH1 3.54Å; D1256-R1275 PolarHBondContact OD1-NH1 2.94Å; D1256-R1275 VanDerWaalsContact OD1-NH1 3.09Å; D1256-R1275 IonicContact OD2-CZ 2.72Å; D1256-R1275 IonicContact OD2-NH1 3.95Å; D1256-R1275 PolarHBondContact OD2-NH1 3.42Å; D1256-R1275 IonicContact OD2-NH2 3.67Å; D1256-R1275 PolarHBondContact OD2-NH2 2.85Å
1257L83Confident78.4Confident4 Ų470 Ų702%0.02134%0.335CS..Hα-helixtrans-77-45178.4-70175.1000112.4H1254 Q1255 L1263 A1268 K1271 L1272 R1275H1254-L1257 PolarHBondContact O-N 3.39Å; Q1255-L1257 PolarHBondContact O-N 2.89Å; L1257-L1263 HydrophobicContact CD2-CD1 4.05Å; L1257-A1268 HydrophobicContact CB-CB 4.1Å; L1257-K1271 HydrophobicContact CD1-CB 4.29Å; L1257-K1271 HydrophobicContact CD2-CB 3.93Å; L1257-K1271 HydrophobicContact CD2-CD 4.1Å; L1257-L1272 HydrophobicContact CD1-CB 3.82Å; L1257-L1272 HydrophobicContact CD1-CD1 4.29Å; L1257-R1275 VanDerWaalsContact CG-NH1 3.33Å
1258F80.2Confident78.5Confident39 Ų3970 Ų7017%0.17133%0.334CS..Hα-helixtrans-84.2-23.7-172-62.8-75.2000113.6L1247 H1254 Q1255 S1260 F1265 A1268 L1269 L1272L1247-F1258 HydrophobicContact CD2-CE1 4.4Å; L1247-F1258 HydrophobicContact CD2-CE2 3.88Å; L1247-F1258 HydrophobicContact CD2-CZ 3.52Å; H1254-F1258 WeakPolarHBondContact O-CD2 3.42Å; Q1255-F1258 PolarHBondContact O-N 3.28Å; F1258-S1260 VanDerWaalsContact C-N 3.32Å; F1258-F1265 AromaticContact CD1-CD2 3.64Å; F1258-F1265 HydrophobicContact CD1-CD2 3.64Å; F1258-F1265 AromaticContact CD1-CE2 3.53Å; F1258-F1265 HydrophobicContact CD1-CE2 3.53Å; F1258-F1265 HydrophobicContact CD1-CZ 4.41Å; F1258-F1265 AromaticContact CE1-CD2 3.92Å; F1258-F1265 HydrophobicContact CE1-CD2 3.92Å; F1258-F1265 AromaticContact CE1-CE2 3.58Å; F1258-F1265 HydrophobicContact CE1-CE2 3.58Å; F1258-F1265 HydrophobicContact CE1-CZ 4.03Å; F1258-A1268 HydrophobicContact CD1-CB 3.61Å; F1258-A1268 HydrophobicContact CE1-CB 3.61Å; F1258-A1268 HydrophobicContact CG-CB 4.3Å; F1258-A1268 HydrophobicContact CZ-CB 4.3Å; F1258-L1269 HydrophobicContact CE1-CD2 4.46Å; F1258-L1269 HydrophobicContact CE1-CG 4.28Å; F1258-L1269 HydrophobicContact CZ-CD2 4.33Å; F1258-L1272 HydrophobicContact CE2-CD2 4.02Å; F1258-L1272 HydrophobicContact CZ-CD2 4.03Å
1259N73.9Confident79Confident110 Ų11069.4 Ų69.459%0.58833%0.331SS*.SBendtrans-87.1-2.4173.8-66.5-13.3000112.7Q1255 N1261Q1255-N1259 VanDerWaalsContact O-CB 3.29Å; Q1255-N1259 WeakPolarHBondContact O-CB 3.25Å; Q1255-N1259 PolarHBondContact O-N 3.46Å; N1259-N1261 PolarHBondContact O-N 3.36Å
1260S72.5Confident79.6Confident34 Ų3462.7 Ų62.724%0.23830%0.3CS..  trans-77.4113.1-178.71590000111.5D1256 F1258 R1262 L1263D1256-S1260 WeakPolarHBondContact O-CB 3.32Å; F1258-S1260 VanDerWaalsContact C-N 3.32Å; S1260-R1262 PolarHBondContact O-N 2.89Å; S1260-R1262 PolarHBondContact OG-N 3.33Å; S1260-L1263 PolarHBondContact O-N 3.04Å; S1260-L1263 VanDerWaalsContact O-N 3.11Å
1261N70.3Confident80.2Confident116 Ų11662.4 Ų62.462%0.6230%0.297SS*.THydrogen-bonded Turntrans-61-9.2174.5-69.5-7.1000114.9R200 N1259R200-N1261 PolarHBondContact NH2-OD1 3.44Å; N1259-N1261 PolarHBondContact O-N 3.36Å
1262R76.7Confident81.1Confident237 Ų23760.5 Ų60.589%0.89429%0.289SS*.THydrogen-bonded Turntrans-92.8-14.4178.5-66.2-175.8179.3168.40.7114.4S1260S1260-R1262 PolarHBondContact O-N 2.89Å; S1260-R1262 PolarHBondContact OG-N 3.33Å
1263L79.4Confident82Confident36 Ų3653.7 Ų53.719%0.18826%0.256CS..SBendtrans-114.1137.7-175.9-64.9169.3000109.4L1257 S1260 E1267 K1271L1257-L1263 HydrophobicContact CD2-CD1 4.05Å; S1260-L1263 PolarHBondContact O-N 3.04Å; S1260-L1263 VanDerWaalsContact O-N 3.11Å; L1263-E1267 WeakPolarHBondContact CA-OE2 3.41Å; L1263-E1267 HydrophobicContact CB-CB 4.33Å; L1263-E1267 HydrophobicContact CD2-CB 4.1Å; L1263-K1271 HydrophobicContact CD1-CD 3.88Å; L1263-K1271 HydrophobicContact CD2-CD 4.09Å; L1263-K1271 VanDerWaalsContact CD2-NZ 3.29Å
1264T81.1Confident82.6Confident29 Ų2952.2 Ų52.218%0.17825%0.25CC..  trans-70162.7165.668.70000109.7E193 S1266 E1267 A1268 Q1288E193-T1264 WeakPolarHBondContact OE1-CB 3.45Å; T1264-S1266 PolarHBondContact O-N 3.35Å; T1264-E1267 PolarHBondContact N-OE2 2.81Å; T1264-E1267 PolarHBondContact O-N 3.04Å; T1264-E1267 VanDerWaalsContact OG1-CB 3.32Å; T1264-E1267 WeakPolarHBondContact OG1-CB 3.23Å; T1264-E1267 WeakPolarHBondContact OG1-CG 3.48Å; T1264-E1267 PolarHBondContact OG1-N 3.24Å; T1264-A1268 WeakPolarHBondContact O-CB 3.44Å; T1264-A1268 PolarHBondContact O-N 2.94Å; T1264-Q1288 PolarHBondContact OG1-OE1 3.3Å
1265F81.5Confident83.1Confident30 Ų3056.6 Ų56.613%0.13227%0.265CS..Hα-helixtrans-62.1-38.6177-176.5-93.7000110.6F189 E193 V1197 F1258 A1268 L1269 L1295F189-F1265 HydrophobicContact CD1-CD1 4.11Å; F189-F1265 HydrophobicContact CE1-CD1 4.18Å; F189-F1265 HydrophobicContact CE1-CE1 4.15Å; F189-F1265 HydrophobicContact CZ-CE1 4.45Å; E193-F1265 WeakPolarHBondContact OE1-CB 3.49Å; E193-F1265 PolarHBondContact OE1-N 3.19Å; V1197-F1265 HydrophobicContact CB-CE1 4.28Å; V1197-F1265 HydrophobicContact CB-CZ 3.98Å; V1197-F1265 HydrophobicContact CG1-CE1 4Å; V1197-F1265 HydrophobicContact CG1-CZ 4.21Å; V1197-F1265 HydrophobicContact CG2-CE1 3.8Å; V1197-F1265 HydrophobicContact CG2-CE2 4.18Å; V1197-F1265 HydrophobicContact CG2-CZ 3.38Å; F1258-F1265 AromaticContact CD1-CD2 3.64Å; F1258-F1265 HydrophobicContact CD1-CD2 3.64Å; F1258-F1265 AromaticContact CD1-CE2 3.53Å; F1258-F1265 HydrophobicContact CD1-CE2 3.53Å; F1258-F1265 HydrophobicContact CD1-CZ 4.41Å; F1258-F1265 AromaticContact CE1-CD2 3.92Å; F1258-F1265 HydrophobicContact CE1-CD2 3.92Å; F1258-F1265 AromaticContact CE1-CE2 3.58Å; F1258-F1265 HydrophobicContact CE1-CE2 3.58Å; F1258-F1265 HydrophobicContact CE1-CZ 4.03Å; F1265-A1268 PolarHBondContact O-N 3Å; F1265-L1269 HydrophobicContact CD1-CD1 3.78Å; F1265-L1269 HydrophobicContact CD1-CG 4.21Å; F1265-L1269 HydrophobicContact CE1-CD1 3.37Å; F1265-L1269 HydrophobicContact CE1-CD2 4.45Å; F1265-L1269 HydrophobicContact CE1-CG 3.8Å; F1265-L1269 HydrophobicContact CZ-CD1 4.24Å; F1265-L1269 HydrophobicContact CZ-CG 4.26Å; F1265-L1269 PolarHBondContact O-N 3.05Å; F1265-L1295 HydrophobicContact CE1-CD2 4.17Å
1266S85.7Confident83.7Confident3 Ų354.7 Ų54.72%0.02126%0.257CS..Hα-helixtrans-61.9-44.4174.2-60.10000111.9E193 T1264 L1269 A1270 G1291E193-S1266 PolarHBondContact OE1-N 2.99Å; T1264-S1266 PolarHBondContact O-N 3.35Å; S1266-L1269 WeakPolarHBondContact O-CB 3.34Å; S1266-L1269 PolarHBondContact O-N 3Å; S1266-A1270 PolarHBondContact O-N 3.15Å; S1266-G1291 WeakPolarHBondContact O-CA 3.48Å
1267E87.3Confident83.9Confident52 Ų5250.5 Ų50.524%0.24323%0.234CC..Hα-helixtrans-65.9-38175.7-73.4170.716400112.5L1263 T1264 A1270 K1271 P1287 Q1288L1263-E1267 WeakPolarHBondContact CA-OE2 3.41Å; L1263-E1267 HydrophobicContact CB-CB 4.33Å; L1263-E1267 HydrophobicContact CD2-CB 4.1Å; T1264-E1267 PolarHBondContact N-OE2 2.81Å; T1264-E1267 PolarHBondContact O-N 3.04Å; T1264-E1267 VanDerWaalsContact OG1-CB 3.32Å; T1264-E1267 WeakPolarHBondContact OG1-CB 3.23Å; T1264-E1267 WeakPolarHBondContact OG1-CG 3.48Å; T1264-E1267 PolarHBondContact OG1-N 3.24Å; E1267-A1270 PolarHBondContact O-N 3.28Å; E1267-K1271 WeakPolarHBondContact O-CB 3.27Å; E1267-K1271 WeakPolarHBondContact O-CG 3.48Å; E1267-K1271 PolarHBondContact O-N 2.75Å; E1267-P1287 HydrophobicContact CG-CB 4.2Å; E1267-Q1288 HydrophobicContact CG-CB 4.42Å
1268A87.8Confident83.9Confident1 Ų154.9 Ų54.91%0.00826%0.263CS..Hα-helixtrans-62.5-45174.700000110.9L1257 F1258 T1264 F1265 K1271 L1272L1257-A1268 HydrophobicContact CB-CB 4.1Å; F1258-A1268 HydrophobicContact CD1-CB 3.61Å; F1258-A1268 HydrophobicContact CE1-CB 3.61Å; F1258-A1268 HydrophobicContact CG-CB 4.3Å; F1258-A1268 HydrophobicContact CZ-CB 4.3Å; T1264-A1268 WeakPolarHBondContact O-CB 3.44Å; T1264-A1268 PolarHBondContact O-N 2.94Å; F1265-A1268 PolarHBondContact O-N 3Å; A1268-K1271 PolarHBondContact O-N 3.42Å; A1268-L1272 WeakPolarHBondContact O-CB 3.33Å; A1268-L1272 PolarHBondContact O-N 3Å
1269L88.7Confident84.1Confident1 Ų159.8 Ų59.81%0.00529%0.286CS..Hα-helixtrans-58.5-46.9172.2-83.6174.1000112.3L1247 F1258 F1265 S1266 K1271 L1272 Y1273 L1294 L1295L1247-L1269 HydrophobicContact CD1-CD2 3.54Å; L1247-L1269 HydrophobicContact CD2-CD2 3.93Å; L1247-L1269 HydrophobicContact CG-CD2 4.35Å; F1258-L1269 HydrophobicContact CE1-CD2 4.46Å; F1258-L1269 HydrophobicContact CE1-CG 4.28Å; F1258-L1269 HydrophobicContact CZ-CD2 4.33Å; F1265-L1269 HydrophobicContact CD1-CD1 3.78Å; F1265-L1269 HydrophobicContact CD1-CG 4.21Å; F1265-L1269 HydrophobicContact CE1-CD1 3.37Å; F1265-L1269 HydrophobicContact CE1-CD2 4.45Å; F1265-L1269 HydrophobicContact CE1-CG 3.8Å; F1265-L1269 HydrophobicContact CZ-CD1 4.24Å; F1265-L1269 HydrophobicContact CZ-CG 4.26Å; F1265-L1269 PolarHBondContact O-N 3.05Å; S1266-L1269 WeakPolarHBondContact O-CB 3.34Å; S1266-L1269 PolarHBondContact O-N 3Å; L1269-K1271 PolarHBondContact O-N 2.94Å; L1269-L1272 PolarHBondContact O-N 3.21Å; L1269-Y1273 WeakPolarHBondContact O-CB 3.43Å; L1269-Y1273 PolarHBondContact O-N 3.09Å; L1269-L1294 HydrophobicContact CB-CD1 4.5Å; L1269-L1295 HydrophobicContact CD1-CD2 3.6Å; L1269-L1295 HydrophobicContact CD1-CG 4.01Å
1270A90Very high84.3Confident5 Ų557.1 Ų57.14%0.04127%0.272CS..Hα-helixtrans-63.9-41.1179.800000112.2S1266 E1267 Y1273 Q1274 P1287 I1290S1266-A1270 PolarHBondContact O-N 3.15Å; E1267-A1270 PolarHBondContact O-N 3.28Å; A1270-Y1273 PolarHBondContact O-N 3.05Å; A1270-Q1274 WeakPolarHBondContact O-CB 3.46Å; A1270-Q1274 PolarHBondContact O-N 3.47Å; A1270-P1287 HydrophobicContact CB-CB 4.06Å; A1270-P1287 WeakPolarHBondContact CB-O 3.36Å; A1270-I1290 HydrophobicContact CB-CB 3.97Å; A1270-I1290 HydrophobicContact CB-CG2 3.96Å
1271K89.3Confident84.5Confident79 Ų7962.5 Ų62.534%0.34330%0.298SS..Hα-helixtrans-67.1-38.6174.7-76.8-172.1177.6-176.70112.2L1257 L1263 E1267 A1268 L1269 Q1274 R1275L1257-K1271 HydrophobicContact CD1-CB 4.29Å; L1257-K1271 HydrophobicContact CD2-CB 3.93Å; L1257-K1271 HydrophobicContact CD2-CD 4.1Å; L1263-K1271 HydrophobicContact CD1-CD 3.88Å; L1263-K1271 HydrophobicContact CD2-CD 4.09Å; L1263-K1271 VanDerWaalsContact CD2-NZ 3.29Å; E1267-K1271 WeakPolarHBondContact O-CB 3.27Å; E1267-K1271 WeakPolarHBondContact O-CG 3.48Å; E1267-K1271 PolarHBondContact O-N 2.75Å; A1268-K1271 PolarHBondContact O-N 3.42Å; L1269-K1271 PolarHBondContact O-N 2.94Å; K1271-Q1274 PolarHBondContact O-N 3.01Å; K1271-R1275 WeakPolarHBondContact O-CB 3.47Å; K1271-R1275 VanDerWaalsContact O-CG 3.3Å; K1271-R1275 WeakPolarHBondContact O-CG 3.32Å; K1271-R1275 PolarHBondContact O-N 3.35Å
1272L89.7Confident84.7Confident1 Ų158.7 Ų58.71%0.00528%0.277CS..Hα-helixtrans-62.5-48.5173.9-178.962.2000110.3L1243 V1246 L1247 H1254 L1257 F1258 A1268 L1269 Q1274 R1275 L1276L1243-L1272 HydrophobicContact CD1-CB 4.21Å; L1243-L1272 HydrophobicContact CD1-CD2 3.61Å; L1243-L1272 HydrophobicContact CD1-CG 3.73Å; V1246-L1272 HydrophobicContact CG1-CD1 4.14Å; V1246-L1272 HydrophobicContact CG1-CD2 4.26Å; L1247-L1272 HydrophobicContact CD2-CD2 3.61Å; L1247-L1272 HydrophobicContact CG-CD2 3.97Å; H1254-L1272 HydrophobicContact CB-CD1 3.99Å; L1257-L1272 HydrophobicContact CD1-CB 3.82Å; L1257-L1272 HydrophobicContact CD1-CD1 4.29Å; F1258-L1272 HydrophobicContact CE2-CD2 4.02Å; F1258-L1272 HydrophobicContact CZ-CD2 4.03Å; A1268-L1272 WeakPolarHBondContact O-CB 3.33Å; A1268-L1272 PolarHBondContact O-N 3Å; L1269-L1272 PolarHBondContact O-N 3.21Å; L1272-Q1274 VanDerWaalsContact C-N 3.29Å; L1272-Q1274 PolarHBondContact O-N 2.85Å; L1272-R1275 WeakPolarHBondContact O-CB 3.26Å; L1272-R1275 PolarHBondContact O-N 3.13Å; L1272-L1276 HydrophobicContact CD1-CD1 4.19Å; L1272-L1276 HydrophobicContact CD1-CG 4.21Å; L1272-L1276 HydrophobicContact CG-CD1 3.99Å; L1272-L1276 HydrophobicContact CG-CG 4.4Å; L1272-L1276 WeakPolarHBondContact O-CG 3.38Å; L1272-L1276 PolarHBondContact O-N 3.4Å
1273Y91.6Very high84.6Confident17 Ų1750 Ų507%0.06726%0.261CS..Hα-helixtrans-58.3-40.6176.8-176.3-105.4000112.4T1239 H1240 L1243 L1269 A1270 L1276 N1277 I1280 M1282 L1294T1239-Y1273 PolarHBondContact OG1-OH 3.12Å; H1240-Y1273 AromaticContact CE1-CZ 3.91Å; H1240-Y1273 PolarHBondContact CE1-OH 3.27Å; H1240-Y1273 VanDerWaalsContact CE1-OH 3.24Å; L1243-Y1273 HydrophobicContact CB-CD2 4.42Å; L1243-Y1273 HydrophobicContact CD2-CD2 4.06Å; L1269-Y1273 WeakPolarHBondContact O-CB 3.43Å; L1269-Y1273 PolarHBondContact O-N 3.09Å; A1270-Y1273 PolarHBondContact O-N 3.05Å; Y1273-L1276 PolarHBondContact O-N 2.89Å; Y1273-N1277 WeakPolarHBondContact CE2-ND2 3.22Å; Y1273-N1277 WeakPolarHBondContact O-CB 3.48Å; Y1273-N1277 PolarHBondContact O-N 3.21Å; Y1273-N1277 PolarHBondContact O-ND2 2.89Å; Y1273-I1280 HydrophobicContact CE1-CD1 4.06Å; Y1273-I1280 VanDerWaalsContact OH-CD1 3.23Å; Y1273-I1280 WeakPolarHBondContact OH-CD1 3.47Å; Y1273-M1282 HydrophobicContact CD1-CE 3.86Å; Y1273-M1282 HydrophobicContact CE1-CE 3.92Å; Y1273-L1294 HydrophobicContact CD1-CD1 4.24Å; Y1273-L1294 HydrophobicContact CD1-CD2 4.46Å; Y1273-L1294 HydrophobicContact CD2-CD1 4.34Å; Y1273-L1294 HydrophobicContact CD2-CD2 3.92Å; Y1273-L1294 HydrophobicContact CE2-CD2 4.14Å; Y1273-L1294 HydrophobicContact CG-CD1 3.78Å; Y1273-L1294 HydrophobicContact CG-CD2 4.08Å
1274Q88.7Confident84.7Confident104 Ų10458 Ų5849%0.48630%0.297SS..Hα-helixtrans-66.3-39.4174-171.9-17812.800112.6A1270 K1271 L1272 N1277 M1282A1270-Q1274 WeakPolarHBondContact O-CB 3.46Å; A1270-Q1274 PolarHBondContact O-N 3.47Å; K1271-Q1274 PolarHBondContact O-N 3.01Å; L1272-Q1274 VanDerWaalsContact C-N 3.29Å; L1272-Q1274 PolarHBondContact O-N 2.85Å; Q1274-N1277 CarbonylContact O-C 3.49Å; Q1274-M1282 HydrophobicContact CB-CE 4.31Å; Q1274-M1282 HydrophobicContact CG-CE 4.42Å
1275R89.8Confident84.7Confident124 Ų12463.6 Ų63.647%0.46832%0.315SS..Hα-helixtrans-64.7-40.6175.9-77.9177.9-176.6-178-1.3111.7D1256 L1257 K1271 L1272D1256-R1275 IonicContact OD1-NH1 3.54Å; D1256-R1275 PolarHBondContact OD1-NH1 2.94Å; D1256-R1275 VanDerWaalsContact OD1-NH1 3.09Å; D1256-R1275 IonicContact OD2-CZ 2.72Å; D1256-R1275 IonicContact OD2-NH1 3.95Å; D1256-R1275 PolarHBondContact OD2-NH1 3.42Å; D1256-R1275 IonicContact OD2-NH2 3.67Å; D1256-R1275 PolarHBondContact OD2-NH2 2.85Å; L1257-R1275 VanDerWaalsContact CG-NH1 3.33Å; K1271-R1275 WeakPolarHBondContact O-CB 3.47Å; K1271-R1275 VanDerWaalsContact O-CG 3.3Å; K1271-R1275 WeakPolarHBondContact O-CG 3.32Å; K1271-R1275 PolarHBondContact O-N 3.35Å; L1272-R1275 WeakPolarHBondContact O-CB 3.26Å; L1272-R1275 PolarHBondContact O-N 3.13Å
1276L87.6Confident85Confident36 Ų3665.7 Ų65.719%0.18833%0.33CS..Hα-helixtrans-74.8-32.2179.9-65.7175.2000112.5M1242 L1243 V1246 L1272 Y1273 P1278M1242-L1276 HydrophobicContact SD-CB 4.11Å; M1242-L1276 HydrophobicContact SD-CD2 4.47Å; L1243-L1276 HydrophobicContact CB-CD1 4.39Å; L1243-L1276 HydrophobicContact CD1-CD1 3.97Å; V1246-L1276 HydrophobicContact CB-CD1 4.01Å; V1246-L1276 HydrophobicContact CG1-CD1 4.2Å; V1246-L1276 HydrophobicContact CG1-CD2 4.39Å; V1246-L1276 HydrophobicContact CG2-CD1 3.94Å; V1246-L1276 HydrophobicContact CG2-CD2 3.87Å; L1272-L1276 HydrophobicContact CD1-CD1 4.19Å; L1272-L1276 HydrophobicContact CD1-CG 4.21Å; L1272-L1276 HydrophobicContact CG-CD1 3.99Å; L1272-L1276 HydrophobicContact CG-CG 4.4Å; L1272-L1276 WeakPolarHBondContact O-CG 3.38Å; L1272-L1276 PolarHBondContact O-N 3.4Å; Y1273-L1276 PolarHBondContact O-N 2.89Å; L1276-P1278 VanDerWaalsContact C-CD 3.43Å; L1276-P1278 WeakPolarHBondContact O-CD 3.4Å
1277N87.8Confident84.9Confident2 Ų268.2 Ų68.21%0.01135%0.347CS..  trans-12565.6-176.3-58.1-77.6000112.2T1239 Y1273 Q1274 Q1279 I1280T1239-N1277 WeakPolarHBondContact CB-OD1 3.32Å; T1239-N1277 WeakPolarHBondContact CG2-OD1 3.42Å; T1239-N1277 PolarHBondContact O-ND2 2.92Å; Y1273-N1277 WeakPolarHBondContact CE2-ND2 3.22Å; Y1273-N1277 WeakPolarHBondContact O-CB 3.48Å; Y1273-N1277 PolarHBondContact O-N 3.21Å; Y1273-N1277 PolarHBondContact O-ND2 2.89Å; Q1274-N1277 CarbonylContact O-C 3.49Å; N1277-Q1279 PolarHBondContact O-N 3.34Å; N1277-Q1279 VanDerWaalsContact O-N 3.13Å; N1277-I1280 HydrophobicContact CB-CB 4.49Å; N1277-I1280 HydrophobicContact CB-CD1 3.52Å; N1277-I1280 HydrophobicContact CB-CG1 3.89Å; N1277-I1280 PolarHBondContact O-N 3.1Å; N1277-I1280 VanDerWaalsContact O-N 3.08Å
1278P83.2Confident84.9Confident97 Ų9767.9 Ų67.963%0.6335%0.345SS*.THydrogen-bonded Turntrans-63.3-21.3-175.123.9-33.1000114.1L1276 I1280L1276-P1278 VanDerWaalsContact C-CD 3.43Å; L1276-P1278 WeakPolarHBondContact O-CD 3.4Å; P1278-I1280 VanDerWaalsContact C-N 3.3Å; P1278-I1280 PolarHBondContact O-N 3.48Å
1279Q82.7Confident84.7Confident141 Ų14170.5 Ų70.566%0.65936%0.361SS*.THydrogen-bonded Turntrans-72.9-15.2176.262.4-80.83.200114.3N1277N1277-Q1279 PolarHBondContact O-N 3.34Å; N1277-Q1279 VanDerWaalsContact O-N 3.13Å
1280I78.9Confident84.6Confident55 Ų5571.3 Ų71.328%0.28237%0.365SS..SBendtrans-85117-178.4-59.9-180000109.1T1239 Y1273 N1277 P1278 M1282T1239-I1280 HydrophobicContact CG2-CD1 4.12Å; Y1273-I1280 HydrophobicContact CE1-CD1 4.06Å; Y1273-I1280 VanDerWaalsContact OH-CD1 3.23Å; Y1273-I1280 WeakPolarHBondContact OH-CD1 3.47Å; N1277-I1280 HydrophobicContact CB-CB 4.49Å; N1277-I1280 HydrophobicContact CB-CD1 3.52Å; N1277-I1280 HydrophobicContact CB-CG1 3.89Å; N1277-I1280 PolarHBondContact O-N 3.1Å; N1277-I1280 VanDerWaalsContact O-N 3.08Å; P1278-I1280 VanDerWaalsContact C-N 3.3Å; P1278-I1280 PolarHBondContact O-N 3.48Å; I1280-M1282 HydrophobicContact CB-CE 3.72Å; I1280-M1282 HydrophobicContact CG2-CE 3.65Å; I1280-M1282 HydrophobicContact CG2-SD 3.94Å; I1280-M1282 WeakPolarHBondContact O-CE 3.43Å; I1280-M1282 PolarHBondContact O-N 3.06Å
1281D76.5Confident84.6Confident147 Ų14771 Ų7179%0.78636%0.363SS*.  trans-74118.9172-174.76.8000110.3G1283D1281-G1283 VanDerWaalsContact C-N 3.28Å; D1281-G1283 PolarHBondContact O-N 2.78Å; D1281-G1283 PolarHBondContact OD1-N 3.37Å
1282M73.9Confident84.3Confident35 Ų3568.7 Ų68.717%0.17235%0.353CS..  trans-80.3-10.6-178.8-59.8-49.9162.800113.1Y1273 Q1274 I1280 R1285 I1290Y1273-M1282 HydrophobicContact CD1-CE 3.86Å; Y1273-M1282 HydrophobicContact CE1-CE 3.92Å; Q1274-M1282 HydrophobicContact CB-CE 4.31Å; Q1274-M1282 HydrophobicContact CG-CE 4.42Å; I1280-M1282 HydrophobicContact CB-CE 3.72Å; I1280-M1282 HydrophobicContact CG2-CE 3.65Å; I1280-M1282 HydrophobicContact CG2-SD 3.94Å; I1280-M1282 WeakPolarHBondContact O-CE 3.43Å; I1280-M1282 PolarHBondContact O-N 3.06Å; M1282-R1285 PolarHBondContact O-N 2.87Å; M1282-I1290 HydrophobicContact CB-CD1 3.81Å; M1282-I1290 HydrophobicContact CG-CD1 4.04Å; M1282-I1290 HydrophobicContact SD-CD1 4.11Å
1283G76.3Confident84.1Confident54 Ų5472 Ų7256%0.55737%0.369SS*.THydrogen-bonded Turntrans58.1-143.9179.400000113.1D1281 R1285D1281-G1283 VanDerWaalsContact C-N 3.28Å; D1281-G1283 PolarHBondContact O-N 2.78Å; D1281-G1283 PolarHBondContact OD1-N 3.37Å; G1283-R1285 VanDerWaalsContact C-N 3.28Å; G1283-R1285 PolarHBondContact O-N 3.21Å
1284Q80.3Confident84Confident204 Ų20471.4 Ų71.495%0.95337%0.367SS*.THydrogen-bonded Turntrans-85.39.3-178.7-64.8-176.7-9.300114.1
1285R82.2Confident83.9Confident148 Ų14866.8 Ų66.856%0.55835%0.345SS*.  trans-80.2139.8-176.6-57.6-174.1-153.9179.710.3110.2M1282 G1283 I1290 E1293M1282-R1285 PolarHBondContact O-N 2.87Å; G1283-R1285 VanDerWaalsContact C-N 3.28Å; G1283-R1285 PolarHBondContact O-N 3.21Å; R1285-I1290 HydrophobicContact CB-CD1 4.08Å; R1285-I1290 HydrophobicContact CB-CG1 3.9Å; R1285-E1293 IonicContact NH1-OE1 3.85Å; R1285-E1293 IonicContact NH1-OE2 3.59Å; R1285-E1293 PolarHBondContact NH1-OE2 3.46Å
1286T86.2Confident83.8Confident73 Ų7362.3 Ų62.345%0.44833%0.331SS..  trans-75.7150.8177.1730000110.8Q1288 T1289 I1290T1286-Q1288 PolarHBondContact O-N 2.65Å; T1286-T1289 PolarHBondContact O-N 2.83Å; T1286-T1289 PolarHBondContact OG1-N 3.41Å; T1286-T1289 PolarHBondContact OG1-OG1 3.02Å; T1286-I1290 WeakPolarHBondContact O-CG1 3.29Å; T1286-I1290 PolarHBondContact O-N 3.21Å; T1286-I1290 VanDerWaalsContact O-N 3.08Å
1287P84.7Confident83.8Confident57 Ų5760.9 Ų60.937%0.3732%0.323SS..Hα-helixtrans-55.1-36.2175.4-26.535.3000113E1267 A1270 T1289 I1290 G1291E1267-P1287 HydrophobicContact CG-CB 4.2Å; A1270-P1287 HydrophobicContact CB-CB 4.06Å; A1270-P1287 WeakPolarHBondContact CB-O 3.36Å; P1287-T1289 PolarHBondContact O-N 3.01Å; P1287-I1290 PolarHBondContact O-N 3.47Å; P1287-G1291 PolarHBondContact O-N 3.46Å
1288Q86.3Confident83.8Confident44 Ų4461.7 Ų61.721%0.20633%0.326CS..Hα-helixtrans-59.5-48.3173.9-172.771.719.500111.7T1264 E1267 T1286 I1290 G1291 E1292T1264-Q1288 PolarHBondContact OG1-OE1 3.3Å; E1267-Q1288 HydrophobicContact CG-CB 4.42Å; T1286-Q1288 PolarHBondContact O-N 2.65Å; Q1288-I1290 VanDerWaalsContact C-N 3.32Å; Q1288-I1290 PolarHBondContact O-N 2.8Å; Q1288-G1291 PolarHBondContact O-N 3.44Å; Q1288-E1292 WeakPolarHBondContact O-CG 3.46Å; Q1288-E1292 PolarHBondContact O-N 2.94Å
1289T84.1Confident84.1Confident57 Ų5758.1 Ų58.135%0.3530%0.301SS..Hα-helixtrans-61.8-41.5-179.9-43.90000111.5T1286 P1287 E1292 E1293T1286-T1289 PolarHBondContact O-N 2.83Å; T1286-T1289 PolarHBondContact OG1-N 3.41Å; T1286-T1289 PolarHBondContact OG1-OG1 3.02Å; P1287-T1289 PolarHBondContact O-N 3.01Å; T1289-E1292 PolarHBondContact O-N 3.43Å; T1289-E1293 WeakPolarHBondContact O-CG 3.44Å; T1289-E1293 PolarHBondContact O-N 3.38Å
1290I87.4Confident84.5Confident17 Ų1751.5 Ų51.59%0.08727%0.27CS..Hα-helixtrans-65.7-44.4177.4-62.4167.2000110.1A1270 M1282 R1285 T1286 P1287 Q1288 E1292 E1293 L1294A1270-I1290 HydrophobicContact CB-CB 3.97Å; A1270-I1290 HydrophobicContact CB-CG2 3.96Å; M1282-I1290 HydrophobicContact CB-CD1 3.81Å; M1282-I1290 HydrophobicContact CG-CD1 4.04Å; M1282-I1290 HydrophobicContact SD-CD1 4.11Å; R1285-I1290 HydrophobicContact CB-CD1 4.08Å; R1285-I1290 HydrophobicContact CB-CG1 3.9Å; T1286-I1290 WeakPolarHBondContact O-CG1 3.29Å; T1286-I1290 PolarHBondContact O-N 3.21Å; T1286-I1290 VanDerWaalsContact O-N 3.08Å; P1287-I1290 PolarHBondContact O-N 3.47Å; Q1288-I1290 VanDerWaalsContact C-N 3.32Å; Q1288-I1290 PolarHBondContact O-N 2.8Å; I1290-E1292 VanDerWaalsContact C-N 3.33Å; I1290-E1292 PolarHBondContact O-N 2.79Å; I1290-E1293 WeakPolarHBondContact O-CB 3.39Å; I1290-E1293 PolarHBondContact O-N 2.95Å; I1290-E1293 VanDerWaalsContact O-N 3.16Å; I1290-L1294 HydrophobicContact CG2-CD1 4.04Å; I1290-L1294 HydrophobicContact CG2-CG 4.42Å; I1290-L1294 VanDerWaalsContact O-CG 3.3Å; I1290-L1294 WeakPolarHBondContact O-CG 3.05Å; I1290-L1294 PolarHBondContact O-N 2.96Å
1291G88.9Confident84.9Confident0 Ų049 Ų490%026%0.258CS..Hα-helixtrans-58.9-43.5177.100000112.9S1266 P1287 Q1288 E1293 L1294 L1295S1266-G1291 WeakPolarHBondContact O-CA 3.48Å; P1287-G1291 PolarHBondContact O-N 3.46Å; Q1288-G1291 PolarHBondContact O-N 3.44Å; G1291-E1293 VanDerWaalsContact C-N 3.35Å; G1291-E1293 PolarHBondContact O-N 2.96Å; G1291-L1294 CarbonylContact O-C 3.53Å; G1291-L1294 WeakPolarHBondContact O-CB 3.19Å; G1291-L1294 PolarHBondContact O-N 3.23Å; G1291-L1294 VanDerWaalsContact O-N 3.15Å; G1291-L1295 PolarHBondContact O-N 2.78Å; G1291-L1295 VanDerWaalsContact O-N 3.08Å
1292E84.3Confident85.4Confident29 Ų2946.1 Ų46.114%0.13624%0.239CC..Hα-helixtrans-66-35.9175.6-70-176.6140.300112.5R186 Q190 Q1288 T1289 I1290 L1294 L1295R186-E1292 IonicContact CZ-OE1 2.86Å; R186-E1292 IonicContact CZ-OE2 2.93Å; R186-E1292 IonicContact NE-OE1 2.73Å; R186-E1292 PolarHBondContact NE-OE1 2.82Å; R186-E1292 IonicContact NE-OE2 3.64Å; R186-E1292 IonicContact NH2-OE1 3.56Å; R186-E1292 PolarHBondContact NH2-OE1 3.26Å; R186-E1292 IonicContact NH2-OE2 2.82Å; R186-E1292 PolarHBondContact NH2-OE2 3.29Å; Q190-E1292 PolarHBondContact NE2-OE1 3.16Å; Q1288-E1292 WeakPolarHBondContact O-CG 3.46Å; Q1288-E1292 PolarHBondContact O-N 2.94Å; T1289-E1292 PolarHBondContact O-N 3.43Å; I1290-E1292 VanDerWaalsContact C-N 3.33Å; I1290-E1292 PolarHBondContact O-N 2.79Å; E1292-L1294 VanDerWaalsContact C-N 3.31Å; E1292-L1295 PolarHBondContact O-N 3.49Å
1293E85Confident86Confident72 Ų7245.6 Ų45.634%0.33624%0.237SC..Hα-helixtrans-63.5-38.5170.9-75176.8-177.900111.2R1285 T1289 I1290 G1291 L1295 D1296 N1299R1285-E1293 IonicContact NH1-OE1 3.85Å; R1285-E1293 IonicContact NH1-OE2 3.59Å; R1285-E1293 PolarHBondContact NH1-OE2 3.46Å; T1289-E1293 WeakPolarHBondContact O-CG 3.44Å; T1289-E1293 PolarHBondContact O-N 3.38Å; I1290-E1293 WeakPolarHBondContact O-CB 3.39Å; I1290-E1293 PolarHBondContact O-N 2.95Å; I1290-E1293 VanDerWaalsContact O-N 3.16Å; G1291-E1293 VanDerWaalsContact C-N 3.35Å; G1291-E1293 PolarHBondContact O-N 2.96Å; E1293-L1295 VanDerWaalsContact C-N 3.26Å; E1293-L1295 PolarHBondContact O-N 2.82Å; E1293-D1296 PolarHBondContact O-N 3.28Å; E1293-N1299 PolarHBondContact O-ND2 2.88Å
1294L89.5Confident86.4Confident4 Ų445.5 Ų45.52%0.02122%0.222CC..Hα-helixtrans-72.5-14.1177-66.7169.5000113.5L1243 L1269 Y1273 I1290 G1291 E1292 Y1300L1243-L1294 HydrophobicContact CD2-CB 4.4Å; L1243-L1294 HydrophobicContact CD2-CD1 4.07Å; L1243-L1294 HydrophobicContact CD2-CD2 3.9Å; L1243-L1294 HydrophobicContact CD2-CG 4.35Å; L1269-L1294 HydrophobicContact CB-CD1 4.5Å; Y1273-L1294 HydrophobicContact CD1-CD1 4.24Å; Y1273-L1294 HydrophobicContact CD1-CD2 4.46Å; Y1273-L1294 HydrophobicContact CD2-CD1 4.34Å; Y1273-L1294 HydrophobicContact CD2-CD2 3.92Å; Y1273-L1294 HydrophobicContact CE2-CD2 4.14Å; Y1273-L1294 HydrophobicContact CG-CD1 3.78Å; Y1273-L1294 HydrophobicContact CG-CD2 4.08Å; I1290-L1294 HydrophobicContact CG2-CD1 4.04Å; I1290-L1294 HydrophobicContact CG2-CG 4.42Å; I1290-L1294 VanDerWaalsContact O-CG 3.3Å; I1290-L1294 WeakPolarHBondContact O-CG 3.05Å; I1290-L1294 PolarHBondContact O-N 2.96Å; G1291-L1294 CarbonylContact O-C 3.53Å; G1291-L1294 WeakPolarHBondContact O-CB 3.19Å; G1291-L1294 PolarHBondContact O-N 3.23Å; G1291-L1294 VanDerWaalsContact O-N 3.15Å; E1292-L1294 VanDerWaalsContact C-N 3.31Å; L1294-Y1300 WeakPolarHBondContact O-CE2 3.21Å; L1294-Y1300 VanDerWaalsContact O-CZ 3.27Å; L1294-Y1300 PolarHBondContact O-OH 2.91Å
1295L87Confident86.6Confident7 Ų736.2 Ų36.24%0.03718%0.179CC..Hα-helixtrans-82.8-18.2170.4-70.4173.8000112.5F189 V1197 F1265 L1269 G1291 E1292 E1293 Y1297F189-L1295 HydrophobicContact CB-CD1 4.26Å; F189-L1295 HydrophobicContact CD2-CD1 3.9Å; F189-L1295 HydrophobicContact CD2-CD2 3.87Å; F189-L1295 HydrophobicContact CD2-CG 4.5Å; F189-L1295 HydrophobicContact CE2-CD2 3.88Å; F189-L1295 HydrophobicContact CG-CD1 4.24Å; V1197-L1295 HydrophobicContact CG1-CD2 3.89Å; F1265-L1295 HydrophobicContact CE1-CD2 4.17Å; L1269-L1295 HydrophobicContact CD1-CD2 3.6Å; L1269-L1295 HydrophobicContact CD1-CG 4.01Å; G1291-L1295 PolarHBondContact O-N 2.78Å; G1291-L1295 VanDerWaalsContact O-N 3.08Å; E1292-L1295 PolarHBondContact O-N 3.49Å; E1293-L1295 VanDerWaalsContact C-N 3.26Å; E1293-L1295 PolarHBondContact O-N 2.82Å; L1295-Y1297 PolarHBondContact O-N 2.91Å
1296D86.5Confident86.9Confident29 Ų2930.1 Ų30.116%0.15516%0.157CC..  trans-85105.7176.4-175-0.8000110.4E1293 R1298 N1299E1293-D1296 PolarHBondContact O-N 3.28Å; D1296-R1298 PolarHBondContact O-N 3.43Å; D1296-R1298 VanDerWaalsContact OD1-CB 3.3Å; D1296-R1298 WeakPolarHBondContact OD1-CB 3.45Å; D1296-R1298 VanDerWaalsContact OD1-CG 3.28Å; D1296-R1298 WeakPolarHBondContact OD1-CG 3.13Å; D1296-R1298 IonicContact OD1-CZ 3.52Å; D1296-R1298 PolarHBondContact OD1-N 3.29Å; D1296-R1298 VanDerWaalsContact OD1-N 3.11Å; D1296-R1298 IonicContact OD1-NE 2.79Å; D1296-R1298 PolarHBondContact OD1-NE 3.12Å; D1296-R1298 IonicContact OD2-CZ 3.82Å; D1296-R1298 IonicContact OD2-NE 3.85Å; D1296-R1298 PolarHBondContact OD2-NE 3.28Å; D1296-R1298 IonicContact OD2-NH2 2.74Å; D1296-R1298 PolarHBondContact OD2-NH2 3.26Å; D1296-N1299 WeakPolarHBondContact O-CB 3.3Å; D1296-N1299 PolarHBondContact O-N 3.01Å
1297Y88.9Confident87Confident6 Ų626.9 Ų26.92%0.02414%0.137CC..G310 helixtrans-52.3-26.3179.981.9-86.6000113.2P180 N182 T1204 I1205 E1208 L1295 N1299 Y1300 L1301P180-Y1297 WeakPolarHBondContact CD-OH 3.42Å; P180-Y1297 WeakPolarHBondContact O-CE1 3.46Å; P180-Y1297 PolarHBondContact O-OH 2.92Å; N182-Y1297 HydrophobicContact CB-CD1 4.05Å; N182-Y1297 HydrophobicContact CB-CE1 3.88Å; T1204-Y1297 HydrophobicContact CG2-CD1 3.43Å; T1204-Y1297 VanDerWaalsContact CG2-CD1 3.43Å; T1204-Y1297 HydrophobicContact CG2-CD2 3.94Å; T1204-Y1297 HydrophobicContact CG2-CE1 3.66Å; T1204-Y1297 HydrophobicContact CG2-CE2 4.18Å; T1204-Y1297 HydrophobicContact CG2-CG 3.57Å; I1205-Y1297 HydrophobicContact CG1-CD2 4.29Å; E1208-Y1297 HydrophobicContact CB-CE2 4.18Å; E1208-Y1297 HydrophobicContact CG-CE2 3.59Å; L1295-Y1297 PolarHBondContact O-N 2.91Å; Y1297-N1299 PolarHBondContact O-N 3.08Å; Y1297-Y1300 VanDerWaalsContact O-CB 3.27Å; Y1297-Y1300 WeakPolarHBondContact O-CB 3.49Å; Y1297-Y1300 WeakPolarHBondContact O-CD2 3.49Å; Y1297-Y1300 PolarHBondContact O-N 3.21Å; Y1297-L1301 HydrophobicContact CD2-CD1 4.1Å; Y1297-L1301 HydrophobicContact CE2-CD1 4.11Å
1298R87.8Confident87Confident20 Ų2025.8 Ų25.88%0.07513%0.128CC..G310 helixtrans-61.2-32.6178-62-178.9-60.4177.15.2111.4R175 L179 E181 D1296 Y1300 L1301R175-R1298 WeakPolarHBondContact CD-O 3.46Å; R175-R1298 HydrophobicContact CG-CB 3.95Å; R175-R1298 PolarHBondContact NH1-O 2.56Å; L179-R1298 HydrophobicContact CB-CG 4.04Å; L179-R1298 WeakPolarHBondContact O-CD 3.45Å; E181-R1298 VanDerWaalsContact CB-NH1 3.31Å; E181-R1298 IonicContact OE1-NH2 2.74Å; E181-R1298 IonicContact OE2-CZ 3.73Å; E181-R1298 IonicContact OE2-NH1 3.59Å; E181-R1298 PolarHBondContact OE2-NH1 3.16Å; E181-R1298 IonicContact OE2-NH2 3.47Å; E181-R1298 PolarHBondContact OE2-NH2 3.08Å; D1296-R1298 PolarHBondContact O-N 3.43Å; D1296-R1298 VanDerWaalsContact OD1-CB 3.3Å; D1296-R1298 WeakPolarHBondContact OD1-CB 3.45Å; D1296-R1298 VanDerWaalsContact OD1-CG 3.28Å; D1296-R1298 WeakPolarHBondContact OD1-CG 3.13Å; D1296-R1298 IonicContact OD1-CZ 3.52Å; D1296-R1298 PolarHBondContact OD1-N 3.29Å; D1296-R1298 VanDerWaalsContact OD1-N 3.11Å; D1296-R1298 IonicContact OD1-NE 2.79Å; D1296-R1298 PolarHBondContact OD1-NE 3.12Å; D1296-R1298 IonicContact OD2-CZ 3.82Å; D1296-R1298 IonicContact OD2-NE 3.85Å; D1296-R1298 PolarHBondContact OD2-NE 3.28Å; D1296-R1298 IonicContact OD2-NH2 2.74Å; D1296-R1298 PolarHBondContact OD2-NH2 3.26Å; R1298-Y1300 PolarHBondContact O-N 2.96Å; R1298-L1301 PolarHBondContact O-N 2.65Å; R1298-L1301 VanDerWaalsContact O-N 3.12Å
1299N88.3Confident86.9Confident22 Ų2226.5 Ų26.512%0.11813%0.129CC..G310 helixtrans-68.4-14.5177.7-70.5-39.7000113.8R175 R1237 H1240 E1293 D1296 Y1297R175-N1299 PolarHBondContact NH1-OD1 3.37Å; R175-N1299 PolarHBondContact NH2-OD1 3.36Å; R1237-N1299 WeakPolarHBondContact CD-O 3.24Å; R1237-N1299 PolarHBondContact NH1-O 3.15Å; H1240-N1299 PolarHBondContact NE2-O 3.15Å; E1293-N1299 PolarHBondContact O-ND2 2.88Å; D1296-N1299 WeakPolarHBondContact O-CB 3.3Å; D1296-N1299 PolarHBondContact O-N 3.01Å; Y1297-N1299 PolarHBondContact O-N 3.08Å
1300Y91Very high86.7Confident1 Ų125.9 Ų25.90%0.00413%0.134CC..G310 helixtrans-82.9-18.1174.8-63.6-110.2000112.2I1201 I1205 V1236 R1237 H1240 L1244 L1294 Y1297 R1298I1201-Y1300 HydrophobicContact CG2-CD1 4.4Å; I1201-Y1300 HydrophobicContact CG2-CD2 4.23Å; I1201-Y1300 HydrophobicContact CG2-CE1 4.33Å; I1201-Y1300 HydrophobicContact CG2-CE2 4.09Å; I1201-Y1300 HydrophobicContact CG2-CG 4.41Å; I1205-Y1300 HydrophobicContact CD1-CD1 4.08Å; I1205-Y1300 HydrophobicContact CD1-CG 3.87Å; V1236-Y1300 CarbonylContact C-O 3.56Å; V1236-Y1300 VanDerWaalsContact CA-O 3.31Å; V1236-Y1300 WeakPolarHBondContact CA-O 3.45Å; R1237-Y1300 PolarHBondContact N-O 3.3Å; H1240-Y1300 HydrophobicContact CB-CD1 3.36Å; H1240-Y1300 HydrophobicContact CB-CE1 3.64Å; H1240-Y1300 HydrophobicContact CB-CG 3.95Å; H1240-Y1300 WeakPolarHBondContact O-CE1 3.33Å; L1244-Y1300 HydrophobicContact CD1-CD1 3.6Å; L1244-Y1300 HydrophobicContact CD1-CE1 3.7Å; L1244-Y1300 HydrophobicContact CD2-CE1 3.83Å; L1244-Y1300 HydrophobicContact CG-CD1 4Å; L1244-Y1300 HydrophobicContact CG-CE1 3.56Å; L1294-Y1300 WeakPolarHBondContact O-CE2 3.21Å; L1294-Y1300 VanDerWaalsContact O-CZ 3.27Å; L1294-Y1300 PolarHBondContact O-OH 2.91Å; Y1297-Y1300 VanDerWaalsContact O-CB 3.27Å; Y1297-Y1300 WeakPolarHBondContact O-CB 3.49Å; Y1297-Y1300 WeakPolarHBondContact O-CD2 3.49Å; Y1297-Y1300 PolarHBondContact O-N 3.21Å; R1298-Y1300 PolarHBondContact O-N 2.96Å
1301L88.6Confident86.2Confident3 Ų330.3 Ų30.32%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-103.7127.1-171.4-65.8177.4000112L179 I1205 V1234 N1235 V1236 Y1297 R1298L179-L1301 HydrophobicContact CD1-CB 4.2Å; L179-L1301 HydrophobicContact CD1-CD1 3.58Å; I1205-L1301 HydrophobicContact CG2-CD2 3.79Å; V1234-L1301 HydrophobicContact CG1-CB 4.27Å; V1234-L1301 HydrophobicContact CG1-CD1 4.24Å; V1234-L1301 HydrophobicContact CG1-CD2 3.66Å; V1234-L1301 HydrophobicContact CG1-CG 4.26Å; N1235-L1301 WeakPolarHBondContact O-CA 3.46Å; V1236-L1301 HydrophobicContact CG2-CD2 4.15Å; Y1297-L1301 HydrophobicContact CD2-CD1 4.1Å; Y1297-L1301 HydrophobicContact CE2-CD1 4.11Å; R1298-L1301 PolarHBondContact O-N 2.65Å; R1298-L1301 VanDerWaalsContact O-N 3.12Å
1302E85.4Confident85.6Confident86 Ų8635 Ų3540%0.40219%0.191SC..EExtended strand (participates in β ladder)trans-104.7128.8166.7-75-177.3174.200109.5V1234 N1235 R1237V1234-E1302 WeakPolarHBondContact CA-O 3.31Å; N1235-E1302 PolarHBondContact N-O 2.75Å; N1235-E1302 PolarHBondContact O-N 3.08Å; R1237-E1302 HydrophobicContact CG-CG 3.59Å; R1237-E1302 WeakPolarHBondContact CG-OE1 3.46Å; R1237-E1302 IonicContact CZ-OE1 3.58Å; R1237-E1302 IonicContact NE-OE1 3.42Å; R1237-E1302 PolarHBondContact NE-OE1 3.18Å; R1237-E1302 IonicContact NH2-OE1 3.89Å
1303M86.4Confident85.5Confident25 Ų2534.9 Ų34.912%0.12320%0.198CC..EExtended strand (participates in β ladder)trans-119.2127.8-178.6-61.2-162-48.200110.6L174 R175 L178 L179 N1233 V1234L174-M1303 HydrophobicContact CB-CE 3.78Å; R175-M1303 HydrophobicContact CB-CE 4.02Å; L178-M1303 HydrophobicContact CB-CE 4.27Å; L178-M1303 HydrophobicContact CD1-CE 3.87Å; L179-M1303 HydrophobicContact CD1-CE 4.32Å; L179-M1303 HydrophobicContact CD1-SD 3.85Å; L179-M1303 HydrophobicContact CG-CE 4.4Å; L179-M1303 HydrophobicContact CG-SD 4.17Å; N1233-M1303 VanDerWaalsContact O-CA 3.31Å; N1233-M1303 WeakPolarHBondContact O-CA 3.42Å; V1234-M1303 HydrophobicContact CB-CG 4.48Å; V1234-M1303 HydrophobicContact CG1-CG 4.19Å; V1234-M1303 HydrophobicContact CG2-CG 3.98Å; V1234-M1303 HydrophobicContact CG2-SD 3.96Å
1304E84.7Confident85.5Confident52 Ų5235.7 Ų35.724%0.24320%0.198CC..EExtended strand (participates in β ladder)trans-123.3147.7177.4-57.3-157.3152.200110.2L1232 N1233 R1316L1232-E1304 WeakPolarHBondContact CA-O 3.41Å; N1233-E1304 PolarHBondContact N-O 3.15Å; N1233-E1304 PolarHBondContact O-N 3.03Å; E1304-R1316 IonicContact OE1-CZ 3.79Å; E1304-R1316 IonicContact OE1-NE 2.78Å; E1304-R1316 IonicContact OE1-NH1 3.2Å; E1304-R1316 PolarHBondContact OE1-NH1 3.19Å; E1304-R1316 IonicContact OE1-NH2 3.38Å; E1304-R1316 PolarHBondContact OE1-NH2 2.96Å; E1304-R1316 IonicContact OE2-CZ 3.9Å; E1304-R1316 IonicContact OE2-NH1 3.36Å
1305V86Confident85.3Confident9 Ų938.7 Ų38.76%0.05521%0.214CC..EExtended strand (participates in β ladder)trans-92.9127.3171.9-179.30000107T171 L174 V1230 L1232 A1317 T1330 I1334T171-V1305 HydrophobicContact CG2-CG2 4.07Å; L174-V1305 HydrophobicContact CD1-CG2 3.54Å; V1230-V1305 HydrophobicContact CG1-CG1 4.33Å; L1232-V1305 HydrophobicContact CD2-CG2 3.82Å; V1305-A1317 HydrophobicContact CB-CB 3.94Å; V1305-A1317 HydrophobicContact CG1-CB 3.59Å; V1305-A1317 WeakPolarHBondContact O-CB 3.42Å; V1305-A1317 PolarHBondContact O-N 3.39Å; V1305-T1330 HydrophobicContact CG1-CG2 4.01Å; V1305-I1334 HydrophobicContact CB-CD1 4.25Å; V1305-I1334 HydrophobicContact CG1-CD1 3.67Å; V1305-I1334 HydrophobicContact CG1-CG1 4.19Å; V1305-I1334 HydrophobicContact CG2-CD1 3.58Å; V1305-I1334 HydrophobicContact CG2-CG1 4.18Å
1306E87.8Confident85.2Confident20 Ų2045.1 Ų45.19%0.09324%0.238CC..EExtended strand (participates in β ladder)trans-121.3145.5176.3-66.7175.4-177.400110.9R1231 N1233 W1314 L1315R1231-E1306 HydrophobicContact CG-CB 4.05Å; R1231-E1306 IonicContact CZ-OE2 3.29Å; R1231-E1306 PolarHBondContact N-O 3.1Å; R1231-E1306 IonicContact NE-OE2 3.82Å; R1231-E1306 PolarHBondContact NE-OE2 3.12Å; R1231-E1306 IonicContact NH2-OE2 2.95Å; R1231-E1306 PolarHBondContact NH2-OE2 3.33Å; R1231-E1306 PolarHBondContact O-N 3.38Å; N1233-E1306 HydrophobicContact CB-CG 4.24Å; N1233-E1306 WeakPolarHBondContact CB-OE1 3.45Å; N1233-E1306 PolarHBondContact ND2-OE1 3.08Å; E1306-W1314 HydrophobicContact CB-CB 4.42Å; E1306-W1314 HydrophobicContact CB-CE3 3.91Å; E1306-L1315 CarbonylContact C-O 3.51Å; E1306-L1315 WeakPolarHBondContact CA-O 3.46Å
1307V87.3Confident85.1Confident4 Ų444.4 Ų44.42%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-121.6141.6176.9-71.30000109.4V1227 V1230 L1315 A1317 L1322 T1330V1227-V1307 HydrophobicContact CG1-CB 3.82Å; V1227-V1307 HydrophobicContact CG1-CG1 3.85Å; V1227-V1307 HydrophobicContact CG2-CB 4.18Å; V1227-V1307 HydrophobicContact CG2-CG1 4.32Å; V1230-V1307 HydrophobicContact CG2-CG1 4.37Å; V1307-L1315 WeakPolarHBondContact CG2-O 3.41Å; V1307-L1315 PolarHBondContact N-O 3.01Å; V1307-L1315 PolarHBondContact O-N 3.26Å; V1307-A1317 HydrophobicContact CG1-CB 3.99Å; V1307-A1317 HydrophobicContact CG2-CB 4.39Å; V1307-L1322 HydrophobicContact CG1-CD2 4.48Å; V1307-L1322 HydrophobicContact CG2-CD2 4.22Å; V1307-T1330 HydrophobicContact CG1-CG2 3.76Å
1308N86.5Confident84.5Confident34 Ų3449.6 Ų49.618%0.18226%0.26CS..EExtended strand (participates in β ladder)trans-103.2126.1176.5-172.6-7000110.4V1227 N1228 S1229 G1310 G1313 W1314V1227-N1308 CarbonylContact C-O 3.42Å; V1227-N1308 WeakPolarHBondContact CA-O 3.36Å; N1228-N1308 PolarHBondContact N-O 2.99Å; S1229-N1308 PolarHBondContact O-N 3.5Å; S1229-N1308 WeakPolarHBondContact OG-CB 3.36Å; N1308-G1310 PolarHBondContact OD1-N 2.88Å; N1308-G1313 WeakPolarHBondContact CA-O 3.31Å; N1308-G1313 PolarHBondContact OD1-O 3.43Å; N1308-W1314 HydrophobicContact CB-CD2 3.97Å; N1308-W1314 HydrophobicContact CB-CE3 3.84Å; N1308-W1314 HydrophobicContact CB-CH2 4.12Å; N1308-W1314 HydrophobicContact CB-CZ2 4.2Å; N1308-W1314 HydrophobicContact CB-CZ3 3.91Å
1309R83.7Confident83.6Confident60 Ų6052 Ų5223%0.22628%0.28CS..  trans-107.212.9176.4-69.2-173.4166.8171.6-4.2114.2Q1226 S1311 G1313 A1321 E1326Q1226-R1309 WeakPolarHBondContact O-CA 3.37Å; R1309-S1311 PolarHBondContact O-N 2.8Å; R1309-G1313 PolarHBondContact N-O 2.79Å; R1309-A1321 PolarHBondContact NH1-O 2.77Å; R1309-A1321 PolarHBondContact NH2-O 2.86Å; R1309-E1326 IonicContact CZ-OE2 3.98Å; R1309-E1326 IonicContact NH2-OE2 3.51Å; R1309-E1326 PolarHBondContact NH2-OE2 2.99Å
1310G79.5Confident82.8Confident44 Ų4454.8 Ų54.845%0.45431%0.314SS..SBendtrans85.2-78.4-178.800000112.3N1308N1308-G1310 PolarHBondContact OD1-N 2.88Å
1311S77.2Confident82.1Confident110 Ų11057.4 Ų57.477%0.76934%0.336SS*.THydrogen-bonded Turntrans-71.5-36.6-174.856.10000113.7R1309 G1313R1309-S1311 PolarHBondContact O-N 2.8Å; S1311-G1313 VanDerWaalsContact C-N 3.29Å; S1311-G1313 PolarHBondContact O-N 2.79Å
1312D76.3Confident81.7Confident98 Ų9858.1 Ų58.152%0.52434%0.339SS..THydrogen-bonded Turntrans-90.10.5-171.3-55.6-13.2000112.3L1315D1312-L1315 HydrophobicContact CB-CD1 3.76Å; D1312-L1315 HydrophobicContact CB-CD2 4.48Å; D1312-L1315 HydrophobicContact CB-CG 4.24Å
1313G81.5Confident81.4Confident27 Ų2756.9 Ų56.928%0.27834%0.34SS..  trans66.3-149.5-173.600000112.8N1308 R1309 S1311N1308-G1313 WeakPolarHBondContact CA-O 3.31Å; N1308-G1313 PolarHBondContact OD1-O 3.43Å; R1309-G1313 PolarHBondContact N-O 2.79Å; S1311-G1313 VanDerWaalsContact C-N 3.29Å; S1311-G1313 PolarHBondContact O-N 2.79Å
1314W85.5Confident80.7Confident88 Ų8859.4 Ų59.433%0.33336%0.357SS..EExtended strand (participates in β ladder)trans-84.6118.5179.3-68.797.7000110.6S1229 R1231 E1306 N1308S1229-W1314 WeakPolarHBondContact OG-CH2 3.16Å; S1229-W1314 WeakPolarHBondContact OG-CZ2 3.48Å; R1231-W1314 HydrophobicContact CB-CH2 3.81Å; R1231-W1314 HydrophobicContact CB-CZ3 3.75Å; R1231-W1314 HydrophobicContact CG-CD2 4.25Å; R1231-W1314 HydrophobicContact CG-CE3 3.65Å; R1231-W1314 HydrophobicContact CG-CH2 3.76Å; R1231-W1314 HydrophobicContact CG-CZ2 4.37Å; R1231-W1314 HydrophobicContact CG-CZ3 3.38Å; R1231-W1314 VanDerWaalsContact CZ-CG 3.42Å; R1231-W1314 VanDerWaalsContact NE-CD2 3.29Å; R1231-W1314 VanDerWaalsContact NH2-CG 3.35Å; E1306-W1314 HydrophobicContact CB-CB 4.42Å; E1306-W1314 HydrophobicContact CB-CE3 3.91Å; N1308-W1314 HydrophobicContact CB-CD2 3.97Å; N1308-W1314 HydrophobicContact CB-CE3 3.84Å; N1308-W1314 HydrophobicContact CB-CH2 4.12Å; N1308-W1314 HydrophobicContact CB-CZ2 4.2Å; N1308-W1314 HydrophobicContact CB-CZ3 3.91Å
1315L85.5Confident80.1Confident67 Ų6757.5 Ų57.535%0.35135%0.352SS..EExtended strand (participates in β ladder)trans-114.8145.6179.4-63.6172.1000110.1E1306 V1307 D1312 A1317E1306-L1315 CarbonylContact C-O 3.51Å; E1306-L1315 WeakPolarHBondContact CA-O 3.46Å; V1307-L1315 WeakPolarHBondContact CG2-O 3.41Å; V1307-L1315 PolarHBondContact N-O 3.01Å; V1307-L1315 PolarHBondContact O-N 3.26Å; D1312-L1315 HydrophobicContact CB-CD1 3.76Å; D1312-L1315 HydrophobicContact CB-CD2 4.48Å; D1312-L1315 HydrophobicContact CB-CG 4.24Å; L1315-A1317 PolarHBondContact O-N 3.15Å
1316R85.7Confident79.9Confident143 Ų14357.6 Ų57.654%0.5435%0.351SS..EExtended strand (participates in β ladder)trans-60.4131172.5-174.1179.5-178.314211110.6E1304 E1318E1304-R1316 IonicContact OE1-CZ 3.79Å; E1304-R1316 IonicContact OE1-NE 2.78Å; E1304-R1316 IonicContact OE1-NH1 3.2Å; E1304-R1316 PolarHBondContact OE1-NH1 3.19Å; E1304-R1316 IonicContact OE1-NH2 3.38Å; E1304-R1316 PolarHBondContact OE1-NH2 2.96Å; E1304-R1316 IonicContact OE2-CZ 3.9Å; E1304-R1316 IonicContact OE2-NH1 3.36Å; R1316-E1318 HydrophobicContact CG-CG 4.41Å; R1316-E1318 PolarHBondContact O-N 3.42Å
1317A82.6Confident79.6Confident14 Ų1457.2 Ų57.212%0.11635%0.352CS..  trans-78.588.9-178.400000111I166 V1305 V1307 L1315 L1322 T1330I166-A1317 HydrophobicContact CD1-CB 3.79Å; V1305-A1317 HydrophobicContact CB-CB 3.94Å; V1305-A1317 HydrophobicContact CG1-CB 3.59Å; V1305-A1317 WeakPolarHBondContact O-CB 3.42Å; V1305-A1317 PolarHBondContact O-N 3.39Å; V1307-A1317 HydrophobicContact CG1-CB 3.99Å; V1307-A1317 HydrophobicContact CG2-CB 4.39Å; L1315-A1317 PolarHBondContact O-N 3.15Å; A1317-L1322 HydrophobicContact CB-CD1 4.18Å; A1317-T1330 HydrophobicContact CB-CG2 4.42Å
1318E77.3Confident79.1Confident115 Ų11557.3 Ų57.354%0.53735%0.352SS..  trans-94.8132.8172.4-63.5-169.5169.300110.9R1316 G1320 A1321 L1322R1316-E1318 HydrophobicContact CG-CG 4.41Å; R1316-E1318 PolarHBondContact O-N 3.42Å; E1318-G1320 PolarHBondContact O-N 2.79Å; E1318-A1321 HydrophobicContact CB-CB 4.4Å; E1318-A1321 PolarHBondContact O-N 2.99Å; E1318-L1322 PolarHBondContact O-N 3.03Å
1319S68.2Low78.7Confident70 Ų7055.7 Ų55.749%0.4934%0.343SS..THydrogen-bonded Turntrans-56.7-24.8-178.1-49.90000113.6
1320G71.9Confident78.7Confident80 Ų8052.8 Ų52.883%0.82533%0.332SS*.THydrogen-bonded Turntrans-81.7-19.7177.600000114.6E1318E1318-G1320 PolarHBondContact O-N 2.79Å
1321A77.3Confident78.9Confident57 Ų5750.9 Ų50.947%0.47131%0.313SS..THydrogen-bonded Turntrans-92.9-14.8-178.500000113R1309 E1318R1309-A1321 PolarHBondContact NH1-O 2.77Å; R1309-A1321 PolarHBondContact NH2-O 2.86Å; E1318-A1321 HydrophobicContact CB-CB 4.4Å; E1318-A1321 PolarHBondContact O-N 2.99Å
1322L80.3Confident79.2Confident17 Ų1745.8 Ų45.89%0.08928%0.277CS..SBendtrans-99.6142.6-177.2-67.6163.4000110.9I166 V1227 V1307 A1317 E1318 E1326 A1327I166-L1322 HydrophobicContact CD1-CD1 3.33Å; I166-L1322 HydrophobicContact CG1-CD1 4.46Å; V1227-L1322 HydrophobicContact CG2-CD2 3.81Å; V1307-L1322 HydrophobicContact CG1-CD2 4.48Å; V1307-L1322 HydrophobicContact CG2-CD2 4.22Å; A1317-L1322 HydrophobicContact CB-CD1 4.18Å; E1318-L1322 PolarHBondContact O-N 3.03Å; L1322-E1326 HydrophobicContact CB-CB 4.02Å; L1322-E1326 HydrophobicContact CD2-CB 3.87Å; L1322-A1327 HydrophobicContact CB-CB 4.08Å
1323S79Confident79.4Confident61 Ų6141.1 Ų41.143%0.42725%0.252SS..  trans-63.7160.2167.779.30000110.6G1325 E1326 A1327S1323-G1325 PolarHBondContact O-N 2.93Å; S1323-E1326 PolarHBondContact N-OE2 2.87Å; S1323-E1326 WeakPolarHBondContact O-CB 3.29Å; S1323-E1326 PolarHBondContact O-N 2.75Å; S1323-E1326 VanDerWaalsContact O-N 3.09Å; S1323-E1326 VanDerWaalsContact OG-CG 3.25Å; S1323-E1326 WeakPolarHBondContact OG-CG 3.4Å; S1323-E1326 PolarHBondContact OG-N 2.82Å; S1323-A1327 WeakPolarHBondContact O-CB 3.48Å; S1323-A1327 PolarHBondContact O-N 2.8Å
1324T71.7Confident79.5Confident78 Ų7840 Ų4048%0.47924%0.24SC..Hα-helixtrans-54.1-41.6179.6-47.50000112.3I1328 R1367T1324-I1328 HydrophobicContact CG2-CD1 4.14Å; T1324-I1328 WeakPolarHBondContact O-CD1 3.24Å; T1324-I1328 WeakPolarHBondContact O-CG1 3.43Å; T1324-I1328 PolarHBondContact O-N 3.37Å; T1324-I1328 VanDerWaalsContact O-N 3.13Å; T1324-R1367 HydrophobicContact CG2-CB 4.08Å; T1324-R1367 HydrophobicContact CG2-CG 4.34Å
1325G72.3Confident79.5Confident12 Ų1236.1 Ų36.112%0.12423%0.225CC..Hα-helixtrans-69.6-40.6177.300000113.1S1323 I1328 G1329 L1368S1323-G1325 PolarHBondContact O-N 2.93Å; G1325-I1328 PolarHBondContact O-N 3.23Å; G1325-G1329 PolarHBondContact O-N 2.84Å; G1325-L1368 WeakPolarHBondContact O-CD2 3.43Å
1326E81Confident79.3Confident10 Ų1033 Ų335%0.04721%0.209CC..Hα-helixtrans-63-44.4175.7-73.7173.3174.400112F1224 Q1226 V1227 R1309 L1322 S1323 I1328 G1329 T1330F1224-E1326 WeakPolarHBondContact O-CG 3.46Å; Q1226-E1326 PolarHBondContact N-OE1 3.26Å; V1227-E1326 HydrophobicContact CG2-CB 4.21Å; V1227-E1326 HydrophobicContact CG2-CG 3.95Å; R1309-E1326 IonicContact CZ-OE2 3.98Å; R1309-E1326 IonicContact NH2-OE2 3.51Å; R1309-E1326 PolarHBondContact NH2-OE2 2.99Å; L1322-E1326 HydrophobicContact CB-CB 4.02Å; L1322-E1326 HydrophobicContact CD2-CB 3.87Å; S1323-E1326 PolarHBondContact N-OE2 2.87Å; S1323-E1326 WeakPolarHBondContact O-CB 3.29Å; S1323-E1326 PolarHBondContact O-N 2.75Å; S1323-E1326 VanDerWaalsContact O-N 3.09Å; S1323-E1326 VanDerWaalsContact OG-CG 3.25Å; S1323-E1326 WeakPolarHBondContact OG-CG 3.4Å; S1323-E1326 PolarHBondContact OG-N 2.82Å; E1326-I1328 VanDerWaalsContact C-N 3.32Å; E1326-I1328 PolarHBondContact O-N 3.42Å; E1326-G1329 PolarHBondContact O-N 2.86Å; E1326-T1330 VanDerWaalsContact O-CB 3.25Å; E1326-T1330 WeakPolarHBondContact O-CB 3.49Å; E1326-T1330 PolarHBondContact O-N 2.95Å; E1326-T1330 PolarHBondContact O-OG1 2.86Å
1327A81Confident79.2Confident12 Ų1226.3 Ų26.310%0.09918%0.184CC..Hα-helixtrans-63.2-40.917800000111.1G165 I166 L1322 S1323 G1331G165-A1327 CarbonylContact C-O 3.46Å; G165-A1327 WeakPolarHBondContact CA-O 3.48Å; I166-A1327 PolarHBondContact N-O 2.9Å; L1322-A1327 HydrophobicContact CB-CB 4.08Å; S1323-A1327 WeakPolarHBondContact O-CB 3.48Å; S1323-A1327 PolarHBondContact O-N 2.8Å; A1327-G1331 PolarHBondContact O-N 2.94Å
1328I78.4Confident79.3Confident6 Ų625.7 Ų25.73%0.03118%0.178CC..Hα-helixtrans-65.7-49176.4-68166000110.8T1324 G1325 E1326 G1331 M1332 L1362 R1367 L1368T1324-I1328 HydrophobicContact CG2-CD1 4.14Å; T1324-I1328 WeakPolarHBondContact O-CD1 3.24Å; T1324-I1328 WeakPolarHBondContact O-CG1 3.43Å; T1324-I1328 PolarHBondContact O-N 3.37Å; T1324-I1328 VanDerWaalsContact O-N 3.13Å; G1325-I1328 PolarHBondContact O-N 3.23Å; E1326-I1328 VanDerWaalsContact C-N 3.32Å; E1326-I1328 PolarHBondContact O-N 3.42Å; I1328-G1331 PolarHBondContact O-N 3.44Å; I1328-M1332 WeakPolarHBondContact O-CB 3.37Å; I1328-M1332 PolarHBondContact O-N 3.16Å; I1328-L1362 HydrophobicContact CG2-CD2 3.71Å; I1328-R1367 HydrophobicContact CD1-CB 3.85Å; I1328-L1368 HydrophobicContact CB-CD2 4.07Å; I1328-L1368 HydrophobicContact CG2-CD1 3.82Å; I1328-L1368 HydrophobicContact CG2-CD2 4.02Å; I1328-L1368 HydrophobicContact CG2-CG 4.1Å
1329G77.7Confident79.7Confident0 Ų020.7 Ų20.70%016%0.156CC..Hα-helixtrans-59.6-50.8178.400000112.4F1224 G1325 E1326 G1331 M1332 S1333F1224-G1329 VanDerWaalsContact CE2-O 3.32Å; F1224-G1329 WeakPolarHBondContact CE2-O 3.35Å; G1325-G1329 PolarHBondContact O-N 2.84Å; E1326-G1329 PolarHBondContact O-N 2.86Å; G1329-G1331 VanDerWaalsContact C-N 3.34Å; G1329-G1331 PolarHBondContact O-N 3.13Å; G1329-M1332 WeakPolarHBondContact O-CB 3.4Å; G1329-M1332 PolarHBondContact O-N 2.93Å; G1329-M1332 VanDerWaalsContact O-N 3.1Å; G1329-S1333 PolarHBondContact O-N 3.31Å; G1329-S1333 PolarHBondContact O-OG 3.46Å
1330T83.4Confident80.3Confident0 Ų020.4 Ų20.40%015%0.147CC..Hα-helixtrans-59-45.4177.3-51.70000111.3I166 V1230 V1305 V1307 A1317 E1326 M1332 S1333 I1334I166-T1330 HydrophobicContact CD1-CG2 3.95Å; I166-T1330 HydrophobicContact CG1-CG2 4.39Å; V1230-T1330 HydrophobicContact CG1-CG2 3.88Å; V1230-T1330 HydrophobicContact CG2-CG2 4.13Å; V1305-T1330 HydrophobicContact CG1-CG2 4.01Å; V1307-T1330 HydrophobicContact CG1-CG2 3.76Å; A1317-T1330 HydrophobicContact CB-CG2 4.42Å; E1326-T1330 VanDerWaalsContact O-CB 3.25Å; E1326-T1330 WeakPolarHBondContact O-CB 3.49Å; E1326-T1330 PolarHBondContact O-N 2.95Å; E1326-T1330 PolarHBondContact O-OG1 2.86Å; T1330-M1332 VanDerWaalsContact C-N 3.3Å; T1330-M1332 PolarHBondContact O-N 2.93Å; T1330-S1333 PolarHBondContact O-N 3.04Å; T1330-I1334 HydrophobicContact CG2-CD1 4.37Å; T1330-I1334 WeakPolarHBondContact O-CD1 3.4Å; T1330-I1334 WeakPolarHBondContact O-CG1 3.34Å; T1330-I1334 PolarHBondContact O-N 2.82Å; T1330-I1334 VanDerWaalsContact O-N 3.15Å
1331G84.3Confident80.8Confident4 Ų416.6 Ų16.64%0.04111%0.108CC..Hα-helixtrans-57.7-43175.100000112.4A1327 I1328 G1329 I1334 L1335A1327-G1331 PolarHBondContact O-N 2.94Å; I1328-G1331 PolarHBondContact O-N 3.44Å; G1329-G1331 VanDerWaalsContact C-N 3.34Å; G1329-G1331 PolarHBondContact O-N 3.13Å; G1331-I1334 PolarHBondContact O-N 3Å; G1331-L1335 VanDerWaalsContact O-CG 3.31Å; G1331-L1335 WeakPolarHBondContact O-CG 3.49Å; G1331-L1335 PolarHBondContact O-N 2.83Å; G1331-L1335 VanDerWaalsContact O-N 3.08Å
1332M83.3Confident81.2Confident2 Ų214 Ų141%0.019%0.086CC..Hα-helixtrans-64.9-45.4178.2-161.158.359.200111.7I1328 G1329 T1330 I1334 L1335 V1336 L1360 L1362 L1376I1328-M1332 WeakPolarHBondContact O-CB 3.37Å; I1328-M1332 PolarHBondContact O-N 3.16Å; G1329-M1332 WeakPolarHBondContact O-CB 3.4Å; G1329-M1332 PolarHBondContact O-N 2.93Å; G1329-M1332 VanDerWaalsContact O-N 3.1Å; T1330-M1332 VanDerWaalsContact C-N 3.3Å; T1330-M1332 PolarHBondContact O-N 2.93Å; M1332-I1334 VanDerWaalsContact C-N 3.26Å; M1332-I1334 PolarHBondContact O-N 2.99Å; M1332-L1335 PolarHBondContact O-N 2.88Å; M1332-L1335 VanDerWaalsContact O-N 3.11Å; M1332-L1335 HydrophobicContact SD-CD1 4.28Å; M1332-V1336 WeakPolarHBondContact O-CG2 3.47Å; M1332-V1336 PolarHBondContact O-N 3.03Å; M1332-L1360 HydrophobicContact CG-CD1 4.24Å; M1332-L1360 HydrophobicContact SD-CB 3.93Å; M1332-L1360 HydrophobicContact SD-CD1 3.64Å; M1332-L1360 HydrophobicContact SD-CD2 3.82Å; M1332-L1360 HydrophobicContact SD-CG 3.98Å; M1332-L1362 HydrophobicContact CE-CD1 3.77Å; M1332-L1362 HydrophobicContact CE-CD2 3.55Å; M1332-L1362 HydrophobicContact CE-CG 3.47Å; M1332-L1362 VanDerWaalsContact CE-CG 3.47Å; M1332-L1376 HydrophobicContact CB-CD2 3.88Å; M1332-L1376 HydrophobicContact CG-CD2 3.79Å
1333S79.8Confident81.1Confident0 Ų014.2 Ų14.20%09%0.086CC..Hα-helixtrans-55.9-38.8175.4-650000113.1F1224 G1329 T1330 V1336 M1337F1224-S1333 WeakPolarHBondContact CE2-OG 3.31Å; G1329-S1333 PolarHBondContact O-N 3.31Å; G1329-S1333 PolarHBondContact O-OG 3.46Å; T1330-S1333 PolarHBondContact O-N 3.04Å; S1333-V1336 WeakPolarHBondContact O-CB 3.43Å; S1333-M1337 WeakPolarHBondContact O-CG 3.33Å; S1333-M1337 PolarHBondContact O-N 2.59Å
1334I84.2Confident81Confident5 Ų514 Ų143%0.0268%0.08CC..Hα-helixtrans-68-45.8176-62.5158.5000111.1L174 V1305 T1330 G1331 M1332 V1336 M1337 V1338L174-I1334 HydrophobicContact CD2-CG2 3.65Å; V1305-I1334 HydrophobicContact CB-CD1 4.25Å; V1305-I1334 HydrophobicContact CG1-CD1 3.67Å; V1305-I1334 HydrophobicContact CG1-CG1 4.19Å; V1305-I1334 HydrophobicContact CG2-CD1 3.58Å; V1305-I1334 HydrophobicContact CG2-CG1 4.18Å; T1330-I1334 HydrophobicContact CG2-CD1 4.37Å; T1330-I1334 WeakPolarHBondContact O-CD1 3.4Å; T1330-I1334 WeakPolarHBondContact O-CG1 3.34Å; T1330-I1334 PolarHBondContact O-N 2.82Å; T1330-I1334 VanDerWaalsContact O-N 3.15Å; G1331-I1334 PolarHBondContact O-N 3Å; M1332-I1334 VanDerWaalsContact C-N 3.26Å; M1332-I1334 PolarHBondContact O-N 2.99Å; I1334-V1336 PolarHBondContact O-N 3.1Å; I1334-M1337 WeakPolarHBondContact O-CB 3.29Å; I1334-M1337 PolarHBondContact O-N 3.08Å; I1334-M1337 VanDerWaalsContact O-N 3.13Å; I1334-V1338 WeakPolarHBondContact O-CG2 3.46Å; I1334-V1338 PolarHBondContact O-N 3.08Å
1335L85.2Confident81.3Confident6 Ų613.9 Ų13.93%0.0317%0.074CC..Hα-helixtrans-59.7-36-180-69.9169.3000111.4L157 A160 I170 G1331 M1332 V1338 V1339 L1360L157-L1335 HydrophobicContact CD2-CD2 4.34Å; L157-L1335 HydrophobicContact CG-CD2 3.9Å; A160-L1335 HydrophobicContact CB-CD1 4.43Å; A160-L1335 HydrophobicContact CB-CD2 4.12Å; I170-L1335 HydrophobicContact CD1-CD2 3.71Å; G1331-L1335 VanDerWaalsContact O-CG 3.31Å; G1331-L1335 WeakPolarHBondContact O-CG 3.49Å; G1331-L1335 PolarHBondContact O-N 2.83Å; G1331-L1335 VanDerWaalsContact O-N 3.08Å; M1332-L1335 PolarHBondContact O-N 2.88Å; M1332-L1335 VanDerWaalsContact O-N 3.11Å; M1332-L1335 HydrophobicContact SD-CD1 4.28Å; L1335-V1338 WeakPolarHBondContact O-CB 3.19Å; L1335-V1338 PolarHBondContact O-N 3.04Å; L1335-V1339 WeakPolarHBondContact O-CG2 3.46Å; L1335-V1339 PolarHBondContact O-N 3.13Å; L1335-L1360 HydrophobicContact CB-CD2 4.16Å
1336V81.5Confident81.8Confident2 Ų213.6 Ų13.61%0.0127%0.07CC..Hα-helixtrans-60.6-49.4174.31670000111.6M1332 S1333 I1334 V1338 V1339 Q1340 L1360 L1379 L1383 M1385M1332-V1336 WeakPolarHBondContact O-CG2 3.47Å; M1332-V1336 PolarHBondContact O-N 3.03Å; S1333-V1336 WeakPolarHBondContact O-CB 3.43Å; I1334-V1336 PolarHBondContact O-N 3.1Å; V1336-V1338 PolarHBondContact O-N 3.15Å; V1336-V1339 PolarHBondContact O-N 2.68Å; V1336-Q1340 WeakPolarHBondContact O-CB 3.43Å; V1336-Q1340 PolarHBondContact O-N 2.97Å; V1336-L1360 HydrophobicContact CG2-CD1 3.53Å; V1336-L1379 HydrophobicContact CG1-CD2 4.25Å; V1336-L1379 HydrophobicContact CG2-CD2 3.78Å; V1336-L1383 HydrophobicContact CG1-CD1 3.23Å; V1336-M1385 HydrophobicContact CB-CE 4.06Å; V1336-M1385 HydrophobicContact CB-SD 4.22Å; V1336-M1385 HydrophobicContact CG1-CE 3.63Å; V1336-M1385 HydrophobicContact CG1-SD 3.85Å; V1336-M1385 HydrophobicContact CG2-CE 3.3Å; V1336-M1385 HydrophobicContact CG2-SD 3.77Å
1337M82.4Confident81.5Confident1 Ų120.6 Ų20.61%0.00510%0.096CC..Hα-helixtrans-58.8-38.4175.2-64.617489.800111.9L178 L1215 N1216 L1219 L1232 S1333 I1334 S1341L178-M1337 HydrophobicContact CD2-CB 4.33Å; L1215-M1337 HydrophobicContact CB-CE 3.37Å; L1215-M1337 HydrophobicContact CD1-CE 4.41Å; L1215-M1337 HydrophobicContact CG-CE 4.5Å; N1216-M1337 WeakPolarHBondContact OD1-CE 3.48Å; L1219-M1337 HydrophobicContact CD1-CE 4.29Å; L1219-M1337 HydrophobicContact CD1-CG 3.71Å; L1219-M1337 HydrophobicContact CD1-SD 3.28Å; L1219-M1337 WeakPolarHBondContact CD1-SD 3.32Å; L1219-M1337 HydrophobicContact CG-CG 4.2Å; L1219-M1337 HydrophobicContact CG-SD 4.25Å; L1232-M1337 HydrophobicContact CB-CE 4.27Å; L1232-M1337 HydrophobicContact CD1-CE 3.34Å; L1232-M1337 HydrophobicContact CD1-SD 3.54Å; L1232-M1337 VanDerWaalsContact CD1-SD 3.54Å; L1232-M1337 HydrophobicContact CG-CE 3.64Å; L1232-M1337 HydrophobicContact CG-SD 3.67Å; S1333-M1337 WeakPolarHBondContact O-CG 3.33Å; S1333-M1337 PolarHBondContact O-N 2.59Å; I1334-M1337 WeakPolarHBondContact O-CB 3.29Å; I1334-M1337 PolarHBondContact O-N 3.08Å; I1334-M1337 VanDerWaalsContact O-N 3.13Å; M1337-S1341 VanDerWaalsContact O-CB 3.24Å; M1337-S1341 WeakPolarHBondContact O-CB 3.39Å; M1337-S1341 PolarHBondContact O-N 2.7Å
1338V85.9Confident81.1Confident1 Ų131.6 Ų31.61%0.00614%0.135CC..Hα-helixtrans-65.1-45.3178175.10000111.2L157 L174 Y177 L178 I1334 L1335 V1336 S1341 W1342L157-V1338 HydrophobicContact CD1-CB 4.27Å; L157-V1338 HydrophobicContact CD1-CG1 3.52Å; L174-V1338 HydrophobicContact CD2-CG2 4.5Å; Y177-V1338 HydrophobicContact CD1-CG1 3.83Å; Y177-V1338 HydrophobicContact CG-CG1 4.31Å; L178-V1338 HydrophobicContact CD2-CB 4.45Å; L178-V1338 HydrophobicContact CD2-CG2 3.89Å; L178-V1338 HydrophobicContact CG-CG2 4.22Å; I1334-V1338 WeakPolarHBondContact O-CG2 3.46Å; I1334-V1338 PolarHBondContact O-N 3.08Å; L1335-V1338 WeakPolarHBondContact O-CB 3.19Å; L1335-V1338 PolarHBondContact O-N 3.04Å; V1336-V1338 PolarHBondContact O-N 3.15Å; V1338-S1341 PolarHBondContact O-N 2.73Å; V1338-W1342 HydrophobicContact CG1-CD2 4.32Å; V1338-W1342 HydrophobicContact CG1-CZ2 4.15Å; V1338-W1342 PolarHBondContact O-N 2.75Å
1339V84.4Confident80.9Confident10 Ų1035 Ų356%0.06115%0.153CC..Hα-helixtrans-63.1-43.9177.8172.20000111A142 L157 L1335 V1336 W1342 E1343 R1358A142-V1339 HydrophobicContact CB-CG1 4.46Å; L157-V1339 HydrophobicContact CD1-CG2 4.2Å; L157-V1339 HydrophobicContact CD2-CG2 4.21Å; L1335-V1339 WeakPolarHBondContact O-CG2 3.46Å; L1335-V1339 PolarHBondContact O-N 3.13Å; V1336-V1339 PolarHBondContact O-N 2.68Å; V1339-W1342 PolarHBondContact O-N 2.97Å; V1339-E1343 PolarHBondContact O-N 2.91Å; V1339-R1358 HydrophobicContact CG1-CB 4.1Å; V1339-R1358 HydrophobicContact CG1-CG 4.01Å
1340Q80.4Confident81Confident65 Ų6536.2 Ų36.230%0.30416%0.158SC..Hα-helixtrans-62.3-45.7176.3-174.3175.6-3.900111.5L1215 V1336 W1342 E1343 D1344L1215-Q1340 HydrophobicContact CD2-CB 4.37Å; L1215-Q1340 HydrophobicContact CD2-CG 4.01Å; V1336-Q1340 WeakPolarHBondContact O-CB 3.43Å; V1336-Q1340 PolarHBondContact O-N 2.97Å; Q1340-W1342 VanDerWaalsContact C-N 3.32Å; Q1340-W1342 PolarHBondContact O-N 2.94Å; Q1340-E1343 WeakPolarHBondContact O-CB 3.47Å; Q1340-E1343 PolarHBondContact O-N 3.32Å; Q1340-E1343 VanDerWaalsContact O-N 3.17Å; Q1340-D1344 PolarHBondContact O-N 3.15Å
1341S83.2Confident80.2Confident0 Ų040 Ų400%020%0.197CC..Hα-helixtrans-58.5-43176.6175.30000112.1L178 R1211 M1337 V1338 E1343 D1344 E1345L178-S1341 PolarHBondContact O-OG 2.88Å; R1211-S1341 PolarHBondContact NH2-O 2.77Å; R1211-S1341 PolarHBondContact NH2-OG 2.92Å; M1337-S1341 VanDerWaalsContact O-CB 3.24Å; M1337-S1341 WeakPolarHBondContact O-CB 3.39Å; M1337-S1341 PolarHBondContact O-N 2.7Å; V1338-S1341 PolarHBondContact O-N 2.73Å; S1341-E1343 VanDerWaalsContact C-N 3.34Å; S1341-E1343 PolarHBondContact O-N 2.77Å; S1341-D1344 PolarHBondContact O-N 3.16Å; S1341-E1345 WeakPolarHBondContact O-CB 3.19Å; S1341-E1345 PolarHBondContact O-N 2.95Å
1342W85.1Confident79.5Confident2 Ų245.9 Ų45.91%0.00822%0.221CC..Hα-helixtrans-66.2-35.8177.5-74.65.4000113.4R143 K153 F154 L157 Y177 V1338 V1339 Q1340 S1346R143-W1342 HydrophobicContact CB-CB 4.42Å; R143-W1342 HydrophobicContact CB-CD2 4.22Å; R143-W1342 HydrophobicContact CB-CE3 3.72Å; R143-W1342 HydrophobicContact CB-CZ3 4.25Å; R143-W1342 HydrophobicContact CG-CE3 4.37Å; R143-W1342 VanDerWaalsContact NH1-NE1 3.19Å; K153-W1342 HydrophobicContact CB-CH2 4.34Å; K153-W1342 HydrophobicContact CB-CZ2 4.29Å; F154-W1342 HydrophobicContact CB-CH2 4.06Å; F154-W1342 HydrophobicContact CB-CZ3 4.04Å; F154-W1342 HydrophobicContact CD2-CH2 4.31Å; F154-W1342 AromaticContact CD2-CZ3 3.62Å; F154-W1342 HydrophobicContact CD2-CZ3 3.62Å; F154-W1342 HydrophobicContact CG-CZ3 4.25Å; L157-W1342 HydrophobicContact CD1-CE3 4.29Å; L157-W1342 HydrophobicContact CD1-CH2 3.79Å; L157-W1342 HydrophobicContact CD1-CZ2 4.19Å; L157-W1342 HydrophobicContact CD1-CZ3 3.87Å; Y177-W1342 HydrophobicContact CD1-CH2 4.47Å; Y177-W1342 AromaticContact CD1-CZ2 3.63Å; Y177-W1342 HydrophobicContact CD1-CZ2 3.63Å; Y177-W1342 HydrophobicContact CE1-CH2 4.49Å; Y177-W1342 HydrophobicContact CE1-CZ2 4.02Å; Y177-W1342 VanDerWaalsContact O-CD1 3.32Å; Y177-W1342 PolarHBondContact O-NE1 2.74Å; V1338-W1342 HydrophobicContact CG1-CD2 4.32Å; V1338-W1342 HydrophobicContact CG1-CZ2 4.15Å; V1338-W1342 PolarHBondContact O-N 2.75Å; V1339-W1342 PolarHBondContact O-N 2.97Å; Q1340-W1342 VanDerWaalsContact C-N 3.32Å; Q1340-W1342 PolarHBondContact O-N 2.94Å; W1342-S1346 WeakPolarHBondContact O-CB 3.23Å; W1342-S1346 PolarHBondContact O-N 2.98Å; W1342-S1346 PolarHBondContact O-OG 2.93Å
1343E78.5Confident79.1Confident21 Ų2153 Ų5310%0.09826%0.26CS..Hα-helixtrans-65.6-48.9174.9178.1-179.8170.900111.1V1339 Q1340 S1341 E1345 S1346 R1347 P1356 R1358V1339-E1343 PolarHBondContact O-N 2.91Å; Q1340-E1343 WeakPolarHBondContact O-CB 3.47Å; Q1340-E1343 PolarHBondContact O-N 3.32Å; Q1340-E1343 VanDerWaalsContact O-N 3.17Å; S1341-E1343 VanDerWaalsContact C-N 3.34Å; S1341-E1343 PolarHBondContact O-N 2.77Å; E1343-E1345 VanDerWaalsContact C-N 3.28Å; E1343-E1345 PolarHBondContact O-N 3.05Å; E1343-S1346 CarbonylContact O-C 3.56Å; E1343-S1346 PolarHBondContact O-N 3.29Å; E1343-R1347 WeakPolarHBondContact O-CB 2.77Å; E1343-R1347 PolarHBondContact O-N 2.95Å; E1343-P1356 HydrophobicContact CB-CG 4.48Å; E1343-P1356 HydrophobicContact CG-CG 3.95Å; E1343-R1358 IonicContact OE1-CZ 3.44Å; E1343-R1358 IonicContact OE1-NE 3.63Å; E1343-R1358 IonicContact OE1-NH2 3.21Å; E1343-R1358 PolarHBondContact OE1-NH2 3.13Å; E1343-R1358 IonicContact OE2-CZ 2.89Å; E1343-R1358 IonicContact OE2-NE 2.86Å; E1343-R1358 PolarHBondContact OE2-NE 3.46Å; E1343-R1358 IonicContact OE2-NH2 2.83Å; E1343-R1358 PolarHBondContact OE2-NH2 2.9Å
1344D77.5Confident79.3Confident58 Ų5853.4 Ų53.431%0.3126%0.261SS..Hα-helixtrans-60.5-40.5179.8-70.4-26.1000111.4Q1340 S1341 R1347Q1340-D1344 PolarHBondContact O-N 3.15Å; S1341-D1344 PolarHBondContact O-N 3.16Å; D1344-R1347 IonicContact OD1-CZ 3.71Å; D1344-R1347 IonicContact OD1-NE 3.47Å; D1344-R1347 IonicContact OD1-NH2 2.82Å; D1344-R1347 PolarHBondContact OD1-NH2 3.02Å
1345E78.1Confident79.2Confident75 Ų7555.1 Ų55.135%0.3527%0.274SS..Hα-helixtrans-62.4-42.2172.7-172.3-172.8177.600111.7R143 S1341 E1343R143-E1345 IonicContact NH1-OE2 3.15Å; S1341-E1345 WeakPolarHBondContact O-CB 3.19Å; S1341-E1345 PolarHBondContact O-N 2.95Å; E1343-E1345 VanDerWaalsContact C-N 3.28Å; E1343-E1345 PolarHBondContact O-N 3.05Å
1346S81.7Confident79.3Confident5 Ų555.2 Ų55.24%0.03528%0.275CS..Hα-helixtrans-87.1-10.5-173.8-58.80000114.1A142 W1342 E1343 R1348 L1349 R1350A142-S1346 WeakPolarHBondContact O-CB 3.28Å; A142-S1346 PolarHBondContact O-OG 2.71Å; W1342-S1346 WeakPolarHBondContact O-CB 3.23Å; W1342-S1346 PolarHBondContact O-N 2.98Å; W1342-S1346 PolarHBondContact O-OG 2.93Å; E1343-S1346 CarbonylContact O-C 3.56Å; E1343-S1346 PolarHBondContact O-N 3.29Å; S1346-R1348 VanDerWaalsContact C-N 3.26Å; S1346-R1348 PolarHBondContact O-N 3.3Å; S1346-L1349 WeakPolarHBondContact O-CB 3.41Å; S1346-L1349 PolarHBondContact O-N 3.44Å; S1346-R1350 PolarHBondContact O-N 3.5Å
1347R75.2Confident79.3Confident157 Ų15756.5 Ų56.559%0.59228%0.284SS*.G310 helixtrans-55.7-42.1-175.2-166.4-176.7-66-158.26.9111.3E1343 D1344 L1349 R1350E1343-R1347 WeakPolarHBondContact O-CB 2.77Å; E1343-R1347 PolarHBondContact O-N 2.95Å; D1344-R1347 IonicContact OD1-CZ 3.71Å; D1344-R1347 IonicContact OD1-NE 3.47Å; D1344-R1347 IonicContact OD1-NH2 2.82Å; D1344-R1347 PolarHBondContact OD1-NH2 3.02Å; R1347-L1349 VanDerWaalsContact C-N 3.34Å; R1347-L1349 PolarHBondContact O-N 2.91Å; R1347-R1350 PolarHBondContact O-N 3.36Å
1348R73.2Confident79.3Confident243 Ų24358.3 Ų58.392%0.91729%0.291SS*.G310 helixtrans-69.9-26.8177.5-61.2-174.6-176.3-154.1-0.9113.9S1346 R1350S1346-R1348 VanDerWaalsContact C-N 3.26Å; S1346-R1348 PolarHBondContact O-N 3.3Å; R1348-R1350 VanDerWaalsContact C-N 3.34Å
1349L74.7Confident79Confident78 Ų7859.3 Ų59.341%0.40830%0.296SS..G310 helixtrans-82.5-15.6-178.9-67.6173.4000112.9F136 S1346 R1347F136-L1349 HydrophobicContact CE1-CB 4.32Å; F136-L1349 HydrophobicContact CZ-CB 4.18Å; S1346-L1349 WeakPolarHBondContact O-CB 3.41Å; S1346-L1349 PolarHBondContact O-N 3.44Å; R1347-L1349 VanDerWaalsContact C-N 3.34Å; R1347-L1349 PolarHBondContact O-N 2.91Å
1350R79.1Confident78.8Confident25 Ų2558.9 Ų58.99%0.09429%0.293CS..  trans-90.4102.7-179.6-170.7-175.5-69.6-90.2-9.6108.3F136 I141 S1346 R1347 R1348 K1352 I1354F136-R1350 HydrophobicContact CE1-CB 4.16Å; F136-R1350 HydrophobicContact CZ-CB 4.06Å; F136-R1350 PolarHBondContact O-NH1 3.45Å; F136-R1350 PolarHBondContact O-NH2 3.33Å; I141-R1350 PolarHBondContact O-NH2 3.49Å; S1346-R1350 PolarHBondContact O-N 3.5Å; R1347-R1350 PolarHBondContact O-N 3.36Å; R1348-R1350 VanDerWaalsContact C-N 3.34Å; R1350-K1352 WeakPolarHBondContact CG-O 3.49Å; R1350-K1352 PolarHBondContact O-N 3.07Å; R1350-I1354 WeakPolarHBondContact CD-O 3.49Å
1351G67.4Low78.8Confident80 Ų8055.8 Ų55.883%0.82528%0.278SS*.SBendtrans-68.16.7-175.100000116
1352K68.2Low78.5Confident128 Ų12855.8 Ų55.856%0.55728%0.279SS*.SBendtrans-139.5138.4-178.1-69.8-179.1-177.8176.80108.8R1350 I1354R1350-K1352 WeakPolarHBondContact CG-O 3.49Å; R1350-K1352 PolarHBondContact O-N 3.07Å; K1352-I1354 VanDerWaalsContact C-N 3.32Å; K1352-I1354 HydrophobicContact CB-CD1 3.85Å; K1352-I1354 HydrophobicContact CB-CG1 3.99Å; K1352-I1354 HydrophobicContact CD-CD1 4.13Å; K1352-I1354 PolarHBondContact O-N 3.43Å
1353D75.1Confident77.8Confident152 Ų15258.2 Ų58.281%0.81329%0.292SS*.  trans-6791.2171-165.615.9000109.8R53R53-D1353 PolarHBondContact NE-O 2.93Å; R53-D1353 PolarHBondContact NH2-O 2.95Å
1354I83.4Confident77.4Confident7 Ų759.3 Ų59.34%0.03630%0.297CS..  trans-141.8120.6-177-66.2177.2000107S52 R53 R1350 K1352S52-I1354 WeakPolarHBondContact OG-CA 3.47Å; R53-I1354 HydrophobicContact CG-CG1 4.04Å; R1350-I1354 WeakPolarHBondContact CD-O 3.49Å; K1352-I1354 VanDerWaalsContact C-N 3.32Å; K1352-I1354 HydrophobicContact CB-CD1 3.85Å; K1352-I1354 HydrophobicContact CB-CG1 3.99Å; K1352-I1354 HydrophobicContact CD-CD1 4.13Å; K1352-I1354 PolarHBondContact O-N 3.43Å
1355S82.9Confident77Confident41 Ų4156.5 Ų56.529%0.28728%0.282SS..  trans-74131.3174-176.60000110.2S52S52-S1355 PolarHBondContact OG-N 2.65Å
1356P87Confident76.4Confident8 Ų856 Ų565%0.05229%0.291CS..  trans-70.8152.2174.729.9-33.3000112G139 A142 E1343 R1358G139-P1356 CarbonylContact O-C 3.57Å; G139-P1356 VanDerWaalsContact O-CA 3.31Å; G139-P1356 WeakPolarHBondContact O-CA 3.48Å; A142-P1356 HydrophobicContact CB-CB 4.17Å; A142-P1356 HydrophobicContact CB-CG 4.3Å; E1343-P1356 HydrophobicContact CB-CG 4.48Å; E1343-P1356 HydrophobicContact CG-CG 3.95Å; P1356-R1358 PolarHBondContact O-N 3.12Å; P1356-R1358 VanDerWaalsContact O-N 3.12Å
1357C81.9Confident75.8Confident30 Ų3062.1 Ų62.120%0.20331%0.313CS..  trans-68106.4166.5-660000109G139 L1359G139-C1357 PolarHBondContact O-N 2.95Å; G139-C1357 PolarHBondContact O-SG 3.4Å; G139-C1357 VanDerWaalsContact O-SG 3.35Å; C1357-L1359 HydrophobicContact CB-CD1 4.29Å; C1357-L1359 HydrophobicContact CB-CG 4.1Å; C1357-L1359 PolarHBondContact O-N 3.17Å
1358R83Confident75.6Confident39 Ų3954.7 Ų54.715%0.14729%0.285CS..  trans-8491.6173.9-59.2174-173.3135.68.2108.6V1339 E1343 P1356 L1383 M1385 Q1386V1339-R1358 HydrophobicContact CG1-CB 4.1Å; V1339-R1358 HydrophobicContact CG1-CG 4.01Å; E1343-R1358 IonicContact OE1-CZ 3.44Å; E1343-R1358 IonicContact OE1-NE 3.63Å; E1343-R1358 IonicContact OE1-NH2 3.21Å; E1343-R1358 PolarHBondContact OE1-NH2 3.13Å; E1343-R1358 IonicContact OE2-CZ 2.89Å; E1343-R1358 IonicContact OE2-NE 2.86Å; E1343-R1358 PolarHBondContact OE2-NE 3.46Å; E1343-R1358 IonicContact OE2-NH2 2.83Å; E1343-R1358 PolarHBondContact OE2-NH2 2.9Å; P1356-R1358 PolarHBondContact O-N 3.12Å; P1356-R1358 VanDerWaalsContact O-N 3.12Å; R1358-L1383 PolarHBondContact NH1-O 3.41Å; R1358-M1385 HydrophobicContact CB-CB 3.96Å; R1358-M1385 HydrophobicContact CB-CG 3.6Å; R1358-M1385 HydrophobicContact CB-SD 4.42Å; R1358-M1385 HydrophobicContact CG-CG 4.3Å; R1358-Q1386 PolarHBondContact O-N 3.41Å
1359L79.4Confident75.4Confident21 Ų2147.1 Ų47.111%0.1126%0.263CS..EExtended strand (participates in β ladder)trans-98.5126.7-173.1-66.8167.5000111.6F4 L8 C1357 F1361 Q1386 I1388F4-L1359 HydrophobicContact CE1-CD1 3.96Å; F4-L1359 HydrophobicContact CZ-CD1 4.03Å; F4-L1359 HydrophobicContact CZ-CD2 4.48Å; L8-L1359 HydrophobicContact CD1-CD1 4.45Å; L8-L1359 HydrophobicContact CD2-CD1 4.49Å; C1357-L1359 HydrophobicContact CB-CD1 4.29Å; C1357-L1359 HydrophobicContact CB-CG 4.1Å; C1357-L1359 PolarHBondContact O-N 3.17Å; L1359-F1361 HydrophobicContact CB-CE2 3.98Å; L1359-F1361 HydrophobicContact CB-CZ 4.06Å; L1359-F1361 HydrophobicContact CD1-CZ 4.49Å; L1359-Q1386 HydrophobicContact CD2-CB 4.16Å; L1359-Q1386 HydrophobicContact CD2-CG 4.35Å; L1359-I1388 HydrophobicContact CD2-CD1 4.23Å
1360L80.5Confident75.1Confident1 Ų146.5 Ų46.51%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-121.3149.3166.8-63.6167.2000108.9M1332 L1335 V1336 M1385 Q1386 L1387 I1388M1332-L1360 HydrophobicContact CG-CD1 4.24Å; M1332-L1360 HydrophobicContact SD-CB 3.93Å; M1332-L1360 HydrophobicContact SD-CD1 3.64Å; M1332-L1360 HydrophobicContact SD-CD2 3.82Å; M1332-L1360 HydrophobicContact SD-CG 3.98Å; L1335-L1360 HydrophobicContact CB-CD2 4.16Å; V1336-L1360 HydrophobicContact CG2-CD1 3.53Å; L1360-M1385 HydrophobicContact CD1-CE 3.93Å; L1360-M1385 HydrophobicContact CD1-SD 3.97Å; L1360-Q1386 PolarHBondContact N-O 2.99Å; L1360-L1387 HydrophobicContact CB-CD1 3.78Å; L1360-L1387 CarbonylContact O-C 3.59Å; L1360-L1387 WeakPolarHBondContact O-CA 3.18Å; L1360-I1388 PolarHBondContact O-N 3.48Å
1361F79.8Confident74.7Confident0 Ų054.3 Ų54.30%030%0.299CS..EExtended strand (participates in β ladder)trans-123.5145.2179.8-56.3-89000108.9M1 F4 L8 I158 S161 L162 L1359 I1388M1-F1361 HydrophobicContact CE-CB 3.73Å; M1-F1361 HydrophobicContact CE-CD1 3.81Å; M1-F1361 HydrophobicContact CE-CG 4.24Å; M1-F1361 HydrophobicContact SD-CD1 3.75Å; F4-F1361 AromaticContact CD1-CE1 3.44Å; F4-F1361 HydrophobicContact CD1-CE1 3.44Å; F4-F1361 VanDerWaalsContact CD1-CE1 3.44Å; F4-F1361 AromaticContact CD1-CZ 3.43Å; F4-F1361 HydrophobicContact CD1-CZ 3.43Å; F4-F1361 VanDerWaalsContact CD1-CZ 3.43Å; F4-F1361 HydrophobicContact CD2-CE1 4.17Å; F4-F1361 AromaticContact CE1-CE1 3.56Å; F4-F1361 HydrophobicContact CE1-CE1 3.56Å; F4-F1361 AromaticContact CE1-CZ 3.28Å; F4-F1361 HydrophobicContact CE1-CZ 3.28Å; F4-F1361 HydrophobicContact CE2-CE1 4.22Å; F4-F1361 AromaticContact CG-CE1 3.79Å; F4-F1361 HydrophobicContact CG-CE1 3.79Å; F4-F1361 HydrophobicContact CG-CZ 4.26Å; F4-F1361 AromaticContact CZ-CE1 3.93Å; F4-F1361 HydrophobicContact CZ-CE1 3.93Å; F4-F1361 AromaticContact CZ-CZ 3.93Å; F4-F1361 HydrophobicContact CZ-CZ 3.93Å; L8-F1361 HydrophobicContact CD1-CE2 4.46Å; L8-F1361 HydrophobicContact CD1-CZ 4.2Å; I158-F1361 HydrophobicContact CD1-CD2 4.14Å; I158-F1361 HydrophobicContact CD1-CE2 3.63Å; I158-F1361 HydrophobicContact CG2-CD2 4.24Å; I158-F1361 HydrophobicContact CG2-CE2 4.3Å; S161-F1361 CarbonylContact C-O 3.42Å; S161-F1361 PolarHBondContact OG-N 3.13Å; S161-F1361 PolarHBondContact OG-O 3.36Å; L162-F1361 HydrophobicContact CD2-CB 3.53Å; L162-F1361 HydrophobicContact CD2-CD1 4.38Å; L162-F1361 HydrophobicContact CD2-CG 4Å; L162-F1361 HydrophobicContact CG-CB 3.88Å; L162-F1361 HydrophobicContact CG-CG 4.35Å; L1359-F1361 HydrophobicContact CB-CE2 3.98Å; L1359-F1361 HydrophobicContact CB-CZ 4.06Å; L1359-F1361 HydrophobicContact CD1-CZ 4.49Å; F1361-I1388 CarbonylContact C-O 3.59Å; F1361-I1388 VanDerWaalsContact CA-O 3.3Å; F1361-I1388 WeakPolarHBondContact CA-O 3.48Å; F1361-I1388 HydrophobicContact CD1-CB 3.89Å; F1361-I1388 HydrophobicContact CD1-CD1 4.12Å; F1361-I1388 HydrophobicContact CD1-CG2 4.21Å; F1361-I1388 HydrophobicContact CE1-CB 4.23Å; F1361-I1388 HydrophobicContact CE1-CD1 3.54Å; F1361-I1388 HydrophobicContact CE1-CG1 4.4Å; F1361-I1388 HydrophobicContact CZ-CD1 4.24Å
1362L76Confident74.9Confident1 Ų150.8 Ų50.81%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-143.8100.6172-88.2166.7000108.9I1328 M1332 A1365 L1368 L1376 L1387 I1388 I1389 A1390I1328-L1362 HydrophobicContact CG2-CD2 3.71Å; M1332-L1362 HydrophobicContact CE-CD1 3.77Å; M1332-L1362 HydrophobicContact CE-CD2 3.55Å; M1332-L1362 HydrophobicContact CE-CG 3.47Å; M1332-L1362 VanDerWaalsContact CE-CG 3.47Å; L1362-A1365 HydrophobicContact CB-CB 4.19Å; L1362-L1368 HydrophobicContact CD1-CD1 4.4Å; L1362-L1376 HydrophobicContact CD1-CD1 3.79Å; L1362-L1387 HydrophobicContact CB-CD1 4.25Å; L1362-L1387 HydrophobicContact CD1-CD1 3.72Å; L1362-L1387 HydrophobicContact CD1-CD2 3.91Å; L1362-L1387 HydrophobicContact CD1-CG 4.37Å; L1362-L1387 HydrophobicContact CG-CD1 4.03Å; L1362-I1388 PolarHBondContact N-O 3.41Å; L1362-I1389 HydrophobicContact CB-CG1 4.03Å; L1362-I1389 HydrophobicContact CD1-CD1 4.38Å; L1362-I1389 CarbonylContact O-C 3.55Å; L1362-I1389 WeakPolarHBondContact O-CA 3.33Å; L1362-A1390 PolarHBondContact O-N 2.97Å
1363D72.1Confident75.1Confident52 Ų5244.9 Ų44.928%0.27824%0.236SC..SBendtrans-80.4-31.2179.1-156.532000111.8L162L162-D1363 WeakPolarHBondContact O-CB 3.34Å; L162-D1363 PolarHBondContact O-N 3.41Å
1364E68.2Low75Confident44 Ų4440.3 Ų40.321%0.20622%0.219CC..  trans-103.733.7-177.1-62-159.3132.700114.1A1366 R1367E1364-A1366 PolarHBondContact O-N 3.11Å; E1364-A1366 VanDerWaalsContact O-N 3.08Å; E1364-R1367 HydrophobicContact CB-CG 4.41Å; E1364-R1367 VanDerWaalsContact CD-NE 3.34Å; E1364-R1367 WeakPolarHBondContact O-CB 3.27Å; E1364-R1367 WeakPolarHBondContact O-CG 2.95Å; E1364-R1367 PolarHBondContact O-N 3.18Å; E1364-R1367 VanDerWaalsContact O-N 3.08Å; E1364-R1367 IonicContact OE1-CZ 2.67Å; E1364-R1367 IonicContact OE1-NE 3.14Å; E1364-R1367 IonicContact OE1-NH2 3.41Å; E1364-R1367 PolarHBondContact OE1-NH2 2.93Å; E1364-R1367 WeakPolarHBondContact OE2-CD 3.26Å; E1364-R1367 IonicContact OE2-CZ 3.43Å; E1364-R1367 IonicContact OE2-NE 3.38Å; E1364-R1367 PolarHBondContact OE2-NE 3.15Å; E1364-R1367 IonicContact OE2-NH1 2.66Å; E1364-R1367 IonicContact OE2-NH2 2.81Å; E1364-R1367 PolarHBondContact OE2-NH2 3.47Å
1365A69.9Low74.5Confident0 Ų041 Ų410%022%0.223CC..G310 helixtrans-64.2-16.7-175.600000115L1362 R1367 L1368 I1389 A1391L1362-A1365 HydrophobicContact CB-CB 4.19Å; A1365-R1367 PolarHBondContact O-N 3.35Å; A1365-R1367 VanDerWaalsContact O-N 3.1Å; A1365-L1368 WeakPolarHBondContact O-CB 3.14Å; A1365-L1368 PolarHBondContact O-N 3.05Å; A1365-I1389 HydrophobicContact CB-CD1 3.38Å; A1365-I1389 HydrophobicContact CB-CG1 3.15Å; A1365-A1391 HydrophobicContact CB-CB 3.52Å
1366A66.1Low74Confident65 Ų6539 Ų3954%0.53721%0.21SC..G310 helixtrans-61.2-15.9172.700000113.4E1364 L1368E1364-A1366 PolarHBondContact O-N 3.11Å; E1364-A1366 VanDerWaalsContact O-N 3.08Å; A1366-L1368 VanDerWaalsContact C-N 3.28Å
1367R68.4Low73.4Confident132 Ų13240.8 Ų40.850%0.49822%0.217SC..G310 helixtrans-76.9-13.4173.9-62.7178.6177.1-14414.9113.5T1324 I1328 E1364 A1365T1324-R1367 HydrophobicContact CG2-CB 4.08Å; T1324-R1367 HydrophobicContact CG2-CG 4.34Å; I1328-R1367 HydrophobicContact CD1-CB 3.85Å; E1364-R1367 HydrophobicContact CB-CG 4.41Å; E1364-R1367 VanDerWaalsContact CD-NE 3.34Å; E1364-R1367 WeakPolarHBondContact O-CB 3.27Å; E1364-R1367 WeakPolarHBondContact O-CG 2.95Å; E1364-R1367 PolarHBondContact O-N 3.18Å; E1364-R1367 VanDerWaalsContact O-N 3.08Å; E1364-R1367 IonicContact OE1-CZ 2.67Å; E1364-R1367 IonicContact OE1-NE 3.14Å; E1364-R1367 IonicContact OE1-NH2 3.41Å; E1364-R1367 PolarHBondContact OE1-NH2 2.93Å; E1364-R1367 WeakPolarHBondContact OE2-CD 3.26Å; E1364-R1367 IonicContact OE2-CZ 3.43Å; E1364-R1367 IonicContact OE2-NE 3.38Å; E1364-R1367 PolarHBondContact OE2-NE 3.15Å; E1364-R1367 IonicContact OE2-NH1 2.66Å; E1364-R1367 IonicContact OE2-NH2 2.81Å; E1364-R1367 PolarHBondContact OE2-NH2 3.47Å; A1365-R1367 PolarHBondContact O-N 3.35Å; A1365-R1367 VanDerWaalsContact O-N 3.1Å
1368L71.4Confident73.1Confident2 Ų245.6 Ų45.61%0.0124%0.236CC..SBendtrans-93.3138.5174.3-65.8162.7000109.1G1325 I1328 L1362 A1365 A1366 I1373 L1376 N1394G1325-L1368 WeakPolarHBondContact O-CD2 3.43Å; I1328-L1368 HydrophobicContact CB-CD2 4.07Å; I1328-L1368 HydrophobicContact CG2-CD1 3.82Å; I1328-L1368 HydrophobicContact CG2-CD2 4.02Å; I1328-L1368 HydrophobicContact CG2-CG 4.1Å; L1362-L1368 HydrophobicContact CD1-CD1 4.4Å; A1365-L1368 WeakPolarHBondContact O-CB 3.14Å; A1365-L1368 PolarHBondContact O-N 3.05Å; A1366-L1368 VanDerWaalsContact C-N 3.28Å; L1368-I1373 HydrophobicContact CB-CD1 4.17Å; L1368-I1373 HydrophobicContact CB-CG1 3.61Å; L1368-I1373 HydrophobicContact CD1-CG1 4.26Å; L1368-L1376 HydrophobicContact CD1-CD1 3.55Å; L1368-N1394 PolarHBondContact O-ND2 2.91Å
1369D69.4Low72.5Confident83 Ų8344.3 Ų44.344%0.44423%0.232SC..  trans-72.1162.8168.970.5-30.7000110.7R1371 S1372 I1373D1369-R1371 PolarHBondContact O-N 3.46Å; D1369-R1371 VanDerWaalsContact O-N 3.15Å; D1369-S1372 PolarHBondContact O-N 3.42Å; D1369-S1372 VanDerWaalsContact O-N 3.16Å; D1369-S1372 WeakPolarHBondContact OD1-CB 3.44Å; D1369-S1372 PolarHBondContact OD1-N 2.99Å; D1369-S1372 VanDerWaalsContact OD1-N 3.12Å; D1369-S1372 PolarHBondContact OD1-OG 3.41Å; D1369-I1373 WeakPolarHBondContact O-CG1 3.26Å; D1369-I1373 PolarHBondContact O-N 3.21Å; D1369-I1373 VanDerWaalsContact O-N 3.08Å
1370A69Low72.3Confident66 Ų6643.5 Ų43.555%0.54523%0.228SC..Hα-helixtrans-57.4-33.3-175.900000113.1A1374A1370-A1374 WeakPolarHBondContact O-CB 3.27Å; A1370-A1374 PolarHBondContact O-N 3.41Å
1371R70Confident71.9Confident189 Ų18949.9 Ų49.971%0.71326%0.258SS*.Hα-helixtrans-69.8-43.6178.3-170.8177.9179.4179.8-1.3112.2D1369 I1373 A1374 T1375D1369-R1371 PolarHBondContact O-N 3.46Å; D1369-R1371 VanDerWaalsContact O-N 3.15Å; R1371-I1373 VanDerWaalsContact C-N 3.33Å; R1371-I1373 PolarHBondContact O-N 3.32Å; R1371-A1374 PolarHBondContact O-N 3.38Å; R1371-T1375 PolarHBondContact O-N 3.43Å; R1371-T1375 PolarHBondContact O-OG1 3.04Å
1372S72Confident71.6Confident6 Ų657 Ų574%0.04229%0.285CS..Hα-helixtrans-65.7-37.5176-59.50000111.7D1369 T1375 L1376D1369-S1372 PolarHBondContact O-N 3.42Å; D1369-S1372 VanDerWaalsContact O-N 3.16Å; D1369-S1372 WeakPolarHBondContact OD1-CB 3.44Å; D1369-S1372 PolarHBondContact OD1-N 2.99Å; D1369-S1372 VanDerWaalsContact OD1-N 3.12Å; D1369-S1372 PolarHBondContact OD1-OG 3.41Å; S1372-T1375 PolarHBondContact O-N 3.35Å; S1372-L1376 WeakPolarHBondContact O-CG 3.33Å; S1372-L1376 PolarHBondContact O-N 2.81Å
1373I71.9Confident71.4Confident4 Ų458.7 Ų58.72%0.02129%0.294CS..Hα-helixtrans-63.6-44.4174.4-63.2173.7000111L1368 D1369 R1371 T1375 L1376 F1377 I1389 N1394 I1395L1368-I1373 HydrophobicContact CB-CD1 4.17Å; L1368-I1373 HydrophobicContact CB-CG1 3.61Å; L1368-I1373 HydrophobicContact CD1-CG1 4.26Å; D1369-I1373 WeakPolarHBondContact O-CG1 3.26Å; D1369-I1373 PolarHBondContact O-N 3.21Å; D1369-I1373 VanDerWaalsContact O-N 3.08Å; R1371-I1373 VanDerWaalsContact C-N 3.33Å; R1371-I1373 PolarHBondContact O-N 3.32Å; I1373-T1375 VanDerWaalsContact C-N 3.31Å; I1373-T1375 PolarHBondContact O-N 2.89Å; I1373-L1376 WeakPolarHBondContact O-CB 3.4Å; I1373-L1376 PolarHBondContact O-N 3.3Å; I1373-F1377 HydrophobicContact CG2-CD2 4.08Å; I1373-F1377 HydrophobicContact CG2-CE2 3.62Å; I1373-F1377 HydrophobicContact CG2-CZ 3.93Å; I1373-F1377 PolarHBondContact O-N 3.47Å; I1373-I1389 HydrophobicContact CG2-CD1 4.25Å; I1373-N1394 HydrophobicContact CD1-CB 3.81Å; I1373-I1395 HydrophobicContact CD1-CG1 4.35Å; I1373-I1395 HydrophobicContact CG2-CG1 4.27Å
1374A72.8Confident71.5Confident55 Ų5563.3 Ų63.346%0.45531%0.313SS..Hα-helixtrans-60.2-4217700000112.1A1370 R1371 L1376 F1377 E1378A1370-A1374 WeakPolarHBondContact O-CB 3.27Å; A1370-A1374 PolarHBondContact O-N 3.41Å; R1371-A1374 PolarHBondContact O-N 3.38Å; A1374-L1376 VanDerWaalsContact C-N 3.33Å; A1374-L1376 PolarHBondContact O-N 3.03Å; A1374-F1377 PolarHBondContact O-N 3.3Å; A1374-F1377 VanDerWaalsContact O-N 3.16Å; A1374-E1378 PolarHBondContact O-N 3.01Å
1375T72.8Confident72Confident22 Ų2262.1 Ų62.114%0.13531%0.308CS..Hα-helixtrans-63.1-39.8176.5-47.80000111.5V1222 F1224 R1371 S1372 I1373 F1377 E1378 L1379V1222-T1375 HydrophobicContact CG1-CG2 4.47Å; F1224-T1375 HydrophobicContact CE1-CG2 4.34Å; R1371-T1375 PolarHBondContact O-N 3.43Å; R1371-T1375 PolarHBondContact O-OG1 3.04Å; S1372-T1375 PolarHBondContact O-N 3.35Å; I1373-T1375 VanDerWaalsContact C-N 3.31Å; I1373-T1375 PolarHBondContact O-N 2.89Å; T1375-F1377 VanDerWaalsContact C-N 3.35Å; T1375-E1378 PolarHBondContact O-N 2.78Å; T1375-L1379 WeakPolarHBondContact O-CB 3.37Å; T1375-L1379 PolarHBondContact O-N 3.38Å
1376L72.7Confident72.4Confident0 Ų067.6 Ų67.60%033%0.334CS..Hα-helixtrans-63.3-39.4173.5-74174.7000112.3F1224 M1332 L1362 L1368 S1372 I1373 A1374 L1379 C1380 L1387F1224-L1376 HydrophobicContact CE1-CD2 3.76Å; F1224-L1376 HydrophobicContact CE1-CG 3.93Å; F1224-L1376 HydrophobicContact CZ-CD2 3.85Å; M1332-L1376 HydrophobicContact CB-CD2 3.88Å; M1332-L1376 HydrophobicContact CG-CD2 3.79Å; L1362-L1376 HydrophobicContact CD1-CD1 3.79Å; L1368-L1376 HydrophobicContact CD1-CD1 3.55Å; S1372-L1376 WeakPolarHBondContact O-CG 3.33Å; S1372-L1376 PolarHBondContact O-N 2.81Å; I1373-L1376 WeakPolarHBondContact O-CB 3.4Å; I1373-L1376 PolarHBondContact O-N 3.3Å; A1374-L1376 VanDerWaalsContact C-N 3.33Å; A1374-L1376 PolarHBondContact O-N 3.03Å; L1376-L1379 PolarHBondContact O-N 2.73Å; L1376-C1380 WeakPolarHBondContact O-CB 3.37Å; L1376-C1380 PolarHBondContact O-N 3.21Å; L1376-C1380 PolarHBondContact O-SG 3.32Å; L1376-L1387 HydrophobicContact CB-CD2 4.4Å
1377F74.7Confident72.9Confident44 Ų4465.7 Ų65.719%0.19332%0.315CS..Hα-helixtrans-65.9-43.5175.8-71.4-33.1000112.4I1373 A1374 T1375 L1379 C1380 E1381 L1387 I1389 I1395I1373-F1377 HydrophobicContact CG2-CD2 4.08Å; I1373-F1377 HydrophobicContact CG2-CE2 3.62Å; I1373-F1377 HydrophobicContact CG2-CZ 3.93Å; I1373-F1377 PolarHBondContact O-N 3.47Å; A1374-F1377 PolarHBondContact O-N 3.3Å; A1374-F1377 VanDerWaalsContact O-N 3.16Å; T1375-F1377 VanDerWaalsContact C-N 3.35Å; F1377-L1379 VanDerWaalsContact C-N 3.31Å; F1377-L1379 PolarHBondContact O-N 3.22Å; F1377-C1380 PolarHBondContact O-N 3.13Å; F1377-E1381 WeakPolarHBondContact O-CB 3.37Å; F1377-E1381 PolarHBondContact O-N 3.11Å; F1377-L1387 HydrophobicContact CD1-CD2 4.23Å; F1377-L1387 HydrophobicContact CE1-CD2 4.08Å; F1377-I1389 HydrophobicContact CZ-CG2 4.4Å; F1377-I1395 HydrophobicContact CE2-CG2 4.22Å; F1377-I1395 HydrophobicContact CZ-CD1 4.33Å; F1377-I1395 HydrophobicContact CZ-CG2 4.32Å
1378E74.4Confident73.2Confident132 Ų13261.8 Ų61.862%0.61730%0.303SS*.Hα-helixtrans-60.5-42.8175.2-173-178169.100111.3A1374 T1375 E1381 R1382A1374-E1378 PolarHBondContact O-N 3.01Å; T1375-E1378 PolarHBondContact O-N 2.78Å; E1378-E1381 PolarHBondContact O-N 3.09Å; E1378-R1382 VanDerWaalsContact O-CB 3.29Å; E1378-R1382 WeakPolarHBondContact O-CB 3.3Å; E1378-R1382 PolarHBondContact O-N 3.19Å
1379L71.6Confident73.2Confident11 Ų1163.2 Ų63.26%0.05831%0.31CS..Hα-helixtrans-62.4-45.1175.4-178.8143.4000112L1219 V1222 V1336 T1375 L1376 F1377 E1381 L1383 M1385L1219-L1379 HydrophobicContact CD2-CD1 4.33Å; V1222-L1379 HydrophobicContact CB-CD1 4.16Å; V1222-L1379 HydrophobicContact CG1-CD1 3.53Å; V1222-L1379 HydrophobicContact CG2-CD1 3.5Å; V1222-L1379 VanDerWaalsContact CG2-CD1 3.5Å; V1336-L1379 HydrophobicContact CG1-CD2 4.25Å; V1336-L1379 HydrophobicContact CG2-CD2 3.78Å; T1375-L1379 WeakPolarHBondContact O-CB 3.37Å; T1375-L1379 PolarHBondContact O-N 3.38Å; L1376-L1379 PolarHBondContact O-N 2.73Å; F1377-L1379 VanDerWaalsContact C-N 3.31Å; F1377-L1379 PolarHBondContact O-N 3.22Å; L1379-E1381 VanDerWaalsContact C-N 3.34Å; L1379-L1383 HydrophobicContact CD2-CD1 4Å; L1379-L1383 HydrophobicContact CG-CD1 4Å; L1379-L1383 WeakPolarHBondContact O-CB 3.39Å; L1379-L1383 WeakPolarHBondContact O-CG 3.27Å; L1379-L1383 PolarHBondContact O-N 3.06Å; L1379-M1385 HydrophobicContact CD2-CE 3.47Å; L1379-M1385 VanDerWaalsContact CD2-CE 3.47Å
1380C74.5Confident73.1Confident5 Ų560 Ų603%0.03430%0.296CS..Hα-helixtrans-62.9-40.8175.6-74.80000111.7L1376 F1377 L1383 Q1384 M1385L1376-C1380 WeakPolarHBondContact O-CB 3.37Å; L1376-C1380 PolarHBondContact O-N 3.21Å; L1376-C1380 PolarHBondContact O-SG 3.32Å; F1377-C1380 PolarHBondContact O-N 3.13Å; C1380-L1383 CarbonylContact O-C 3.51Å; C1380-L1383 PolarHBondContact O-N 3.44Å; C1380-Q1384 CarbonylContact O-C 3.56Å; C1380-Q1384 WeakPolarHBondContact O-CA 3.44Å; C1380-Q1384 PolarHBondContact O-N 3.36Å; C1380-M1385 HydrophobicContact CB-CB 4.28Å; C1380-M1385 PolarHBondContact O-N 3.44Å
1381E72.3Confident72.9Confident134 Ų13457.2 Ų57.263%0.62627%0.272SS*.Hα-helixtrans-66.1-49.2178.5-170.8167.7-172.500111.5F1377 E1378 L1379 L1383 Q1384F1377-E1381 WeakPolarHBondContact O-CB 3.37Å; F1377-E1381 PolarHBondContact O-N 3.11Å; E1378-E1381 PolarHBondContact O-N 3.09Å; L1379-E1381 VanDerWaalsContact C-N 3.34Å; E1381-L1383 PolarHBondContact O-N 3Å; E1381-Q1384 PolarHBondContact O-N 3.42Å
1382R72.5Confident72Confident151 Ų15151.3 Ų51.357%0.5726%0.258SS*.Hα-helixtrans-58.2-35.9177.4-174.3176.5180-172.1-1.5112.6E1378E1378-R1382 VanDerWaalsContact O-CB 3.29Å; E1378-R1382 WeakPolarHBondContact O-CB 3.3Å; E1378-R1382 PolarHBondContact O-N 3.19Å
1383L72.5Confident71.3Confident36 Ų3658.9 Ų58.919%0.18829%0.293CS..THydrogen-bonded Turntrans-99.410.1-179.2-59.9174.1000113V1336 R1358 L1379 C1380 E1381 M1385V1336-L1383 HydrophobicContact CG1-CD1 3.23Å; R1358-L1383 PolarHBondContact NH1-O 3.41Å; L1379-L1383 HydrophobicContact CD2-CD1 4Å; L1379-L1383 HydrophobicContact CG-CD1 4Å; L1379-L1383 WeakPolarHBondContact O-CB 3.39Å; L1379-L1383 WeakPolarHBondContact O-CG 3.27Å; L1379-L1383 PolarHBondContact O-N 3.06Å; C1380-L1383 CarbonylContact O-C 3.51Å; C1380-L1383 PolarHBondContact O-N 3.44Å; E1381-L1383 PolarHBondContact O-N 3Å; L1383-M1385 VanDerWaalsContact C-N 3.27Å; L1383-M1385 HydrophobicContact CB-CE 3.83Å; L1383-M1385 HydrophobicContact CB-CG 3.97Å; L1383-M1385 HydrophobicContact CB-SD 4.26Å; L1383-M1385 HydrophobicContact CD1-CE 3.87Å; L1383-M1385 HydrophobicContact CG-CE 4.48Å; L1383-M1385 WeakPolarHBondContact O-CG 3.33Å; L1383-M1385 PolarHBondContact O-N 3.06Å
1384Q75Confident70.6Confident148 Ų14861.8 Ų61.869%0.69231%0.309SS*.THydrogen-bonded Turntrans46.948-178-52.8173.4-25.800113.2C1380 E1381C1380-Q1384 CarbonylContact O-C 3.56Å; C1380-Q1384 WeakPolarHBondContact O-CA 3.44Å; C1380-Q1384 PolarHBondContact O-N 3.36Å; E1381-Q1384 PolarHBondContact O-N 3.42Å
1385M78.9Confident69.9Low20 Ų2060.1 Ų60.110%0.09929%0.292CS..  trans-106.5150.9177.4-55.4-171.4-65.600111.6V1336 R1358 L1360 L1379 C1380 L1383V1336-M1385 HydrophobicContact CB-CE 4.06Å; V1336-M1385 HydrophobicContact CB-SD 4.22Å; V1336-M1385 HydrophobicContact CG1-CE 3.63Å; V1336-M1385 HydrophobicContact CG1-SD 3.85Å; V1336-M1385 HydrophobicContact CG2-CE 3.3Å; V1336-M1385 HydrophobicContact CG2-SD 3.77Å; R1358-M1385 HydrophobicContact CB-CB 3.96Å; R1358-M1385 HydrophobicContact CB-CG 3.6Å; R1358-M1385 HydrophobicContact CB-SD 4.42Å; R1358-M1385 HydrophobicContact CG-CG 4.3Å; L1360-M1385 HydrophobicContact CD1-CE 3.93Å; L1360-M1385 HydrophobicContact CD1-SD 3.97Å; L1379-M1385 HydrophobicContact CD2-CE 3.47Å; L1379-M1385 VanDerWaalsContact CD2-CE 3.47Å; C1380-M1385 HydrophobicContact CB-CB 4.28Å; C1380-M1385 PolarHBondContact O-N 3.44Å; L1383-M1385 VanDerWaalsContact C-N 3.27Å; L1383-M1385 HydrophobicContact CB-CE 3.83Å; L1383-M1385 HydrophobicContact CB-CG 3.97Å; L1383-M1385 HydrophobicContact CB-SD 4.26Å; L1383-M1385 HydrophobicContact CD1-CE 3.87Å; L1383-M1385 HydrophobicContact CG-CE 4.48Å; L1383-M1385 WeakPolarHBondContact O-CG 3.33Å; L1383-M1385 PolarHBondContact O-N 3.06Å
1386Q78.4Confident69.1Low114 Ų11462.1 Ų62.153%0.53331%0.307SS..EExtended strand (participates in β ladder)trans-106.7114.3178.1-172.717425.200109.8R1358 L1359 L1360R1358-Q1386 PolarHBondContact O-N 3.41Å; L1359-Q1386 HydrophobicContact CD2-CB 4.16Å; L1359-Q1386 HydrophobicContact CD2-CG 4.35Å; L1360-Q1386 PolarHBondContact N-O 2.99Å
1387L75.9Confident68.2Low26 Ų2664.8 Ų64.814%0.13632%0.324CS..EExtended strand (participates in β ladder)trans-97.1121.3176179.361.5000110.9L1360 L1362 L1376 F1377 I1389L1360-L1387 HydrophobicContact CB-CD1 3.78Å; L1360-L1387 CarbonylContact O-C 3.59Å; L1360-L1387 WeakPolarHBondContact O-CA 3.18Å; L1362-L1387 HydrophobicContact CB-CD1 4.25Å; L1362-L1387 HydrophobicContact CD1-CD1 3.72Å; L1362-L1387 HydrophobicContact CD1-CD2 3.91Å; L1362-L1387 HydrophobicContact CD1-CG 4.37Å; L1362-L1387 HydrophobicContact CG-CD1 4.03Å; L1376-L1387 HydrophobicContact CB-CD2 4.4Å; F1377-L1387 HydrophobicContact CD1-CD2 4.23Å; F1377-L1387 HydrophobicContact CE1-CD2 4.08Å; L1387-I1389 HydrophobicContact CD2-CD1 4.17Å; L1387-I1389 HydrophobicContact CG-CB 4.34Å
1388I74.6Confident67.3Low49 Ų4969.9 Ų69.925%0.25135%0.348SS..EExtended strand (participates in β ladder)trans-99.5105.5173.6-62.7170.5000108.1M1 F4 L1359 L1360 F1361 L1362M1-I1388 HydrophobicContact CE-CG2 4.14Å; M1-I1388 HydrophobicContact SD-CG2 4.5Å; F4-I1388 HydrophobicContact CD2-CD1 4.22Å; F4-I1388 HydrophobicContact CE2-CD1 3.48Å; F4-I1388 VanDerWaalsContact CE2-CD1 3.48Å; F4-I1388 HydrophobicContact CZ-CD1 3.66Å; L1359-I1388 HydrophobicContact CD2-CD1 4.23Å; L1360-I1388 PolarHBondContact O-N 3.48Å; F1361-I1388 CarbonylContact C-O 3.59Å; F1361-I1388 VanDerWaalsContact CA-O 3.3Å; F1361-I1388 WeakPolarHBondContact CA-O 3.48Å; F1361-I1388 HydrophobicContact CD1-CB 3.89Å; F1361-I1388 HydrophobicContact CD1-CD1 4.12Å; F1361-I1388 HydrophobicContact CD1-CG2 4.21Å; F1361-I1388 HydrophobicContact CE1-CB 4.23Å; F1361-I1388 HydrophobicContact CE1-CD1 3.54Å; F1361-I1388 HydrophobicContact CE1-CG1 4.4Å; F1361-I1388 HydrophobicContact CZ-CD1 4.24Å; L1362-I1388 PolarHBondContact N-O 3.41Å
1389I71.3Confident66.4Low32 Ų3270.6 Ų70.616%0.16435%0.35CS..EExtended strand (participates in β ladder)trans-114.4138.8-170-163.1162.4000111.7L1362 A1365 I1373 F1377 L1387 A1391 I1395L1362-I1389 HydrophobicContact CB-CG1 4.03Å; L1362-I1389 HydrophobicContact CD1-CD1 4.38Å; L1362-I1389 CarbonylContact O-C 3.55Å; L1362-I1389 WeakPolarHBondContact O-CA 3.33Å; A1365-I1389 HydrophobicContact CB-CD1 3.38Å; A1365-I1389 HydrophobicContact CB-CG1 3.15Å; I1373-I1389 HydrophobicContact CG2-CD1 4.25Å; F1377-I1389 HydrophobicContact CZ-CG2 4.4Å; L1387-I1389 HydrophobicContact CD2-CD1 4.17Å; L1387-I1389 HydrophobicContact CG-CB 4.34Å; I1389-A1391 HydrophobicContact CG1-CB 4.45Å; I1389-I1395 HydrophobicContact CB-CD1 4.45Å; I1389-I1395 HydrophobicContact CD1-CD1 3.89Å; I1389-I1395 HydrophobicContact CG1-CD1 4.1Å; I1389-I1395 HydrophobicContact CG2-CD1 3.53Å
1390A67.5Low65.6Low17 Ų1771.8 Ų71.814%0.1436%0.364CS..  trans-112.184.7171.700000110L1362L1362-A1390 PolarHBondContact O-N 2.97Å
1391A63.8Low64.5Low6 Ų676.5 Ų76.55%0.0539%0.393CS..  trans-144.991.5174.200000111.4A1365 I1389 E1393 I1395A1365-A1391 HydrophobicContact CB-CB 3.52Å; I1389-A1391 HydrophobicContact CG1-CB 4.45Å; A1391-E1393 VanDerWaalsContact C-N 3.34Å; A1391-E1393 PolarHBondContact O-N 3.26Å; A1391-I1395 HydrophobicContact CB-CD1 3.85Å; A1391-I1395 HydrophobicContact CB-CG1 4.26Å; A1391-I1395 WeakPolarHBondContact O-CD1 3.46Å
1392P52.7Low63.7Low65 Ų6571 Ų7142%0.42237%0.369SS..THydrogen-bonded Turntrans-73.4-18.4-171.725.5-31.7000115.1
1393E57.5Low62.7Low165 Ų16568.8 Ų68.877%0.77136%0.361SS*.THydrogen-bonded Turntrans-101.4-28.2-170.3-61.1-173.5171.400114.2A1391A1391-E1393 VanDerWaalsContact C-N 3.34Å; A1391-E1393 PolarHBondContact O-N 3.26Å
1394N56.8Low61.9Low65 Ų6572.7 Ų72.735%0.34838%0.377SS..THydrogen-bonded Turntrans-100.8-4.9-170-67.9-2.8000114.4L1368 I1373L1368-N1394 PolarHBondContact O-ND2 2.91Å; I1373-N1394 HydrophobicContact CD1-CB 3.81Å
1395I57.3Low61.1Low21 Ų2170.6 Ų70.611%0.10837%0.369CS..SBendtrans-109.8123.6-170.7-56.8178.7000109.5I1373 F1377 I1389 A1391 T1402I1373-I1395 HydrophobicContact CD1-CG1 4.35Å; I1373-I1395 HydrophobicContact CG2-CG1 4.27Å; F1377-I1395 HydrophobicContact CE2-CG2 4.22Å; F1377-I1395 HydrophobicContact CZ-CD1 4.33Å; F1377-I1395 HydrophobicContact CZ-CG2 4.32Å; I1389-I1395 HydrophobicContact CB-CD1 4.45Å; I1389-I1395 HydrophobicContact CD1-CD1 3.89Å; I1389-I1395 HydrophobicContact CG1-CD1 4.1Å; I1389-I1395 HydrophobicContact CG2-CD1 3.53Å; A1391-I1395 HydrophobicContact CB-CD1 3.85Å; A1391-I1395 HydrophobicContact CB-CG1 4.26Å; A1391-I1395 WeakPolarHBondContact O-CD1 3.46Å; I1395-T1402 HydrophobicContact CB-CG2 4.25Å; I1395-T1402 HydrophobicContact CG2-CG2 4.26Å
1396S56.4Low60.4Low64 Ų6471.9 Ų71.945%0.44838%0.378SS..  trans-64135.8169.193.50000108.7E1398S1396-E1398 PolarHBondContact O-N 2.78Å
1397P53.8Low59.8Low55 Ų5574.3 Ų74.336%0.35738%0.383SS..G310 helixtrans-56.7-17.6-179.1-24.832.4000114.2K1399 G1400 G1423P1397-K1399 VanDerWaalsContact C-N 3.25Å; P1397-K1399 PolarHBondContact O-N 2.66Å; P1397-K1399 VanDerWaalsContact O-N 3.13Å; P1397-G1400 PolarHBondContact O-N 3.11Å; P1397-G1400 VanDerWaalsContact O-O 3.12Å; P1397-G1423 WeakPolarHBondContact O-CA 3.2Å; P1397-G1423 PolarHBondContact O-N 3.29Å
1398E55.8Low59.6Low151 Ų15178.8 Ų78.871%0.70640%0.401SS*.G310 helixtrans-59.4-27.1-168.3-62.2178.7162.500114.6S1396S1396-E1398 PolarHBondContact O-N 2.78Å
1399K55.2Low59.6Low148 Ų14880.8 Ų80.864%0.64342%0.415SS*.G310 helixtrans-111.812.5-176.2-65.4-164.9175.4-164.70115P1397P1397-K1399 VanDerWaalsContact C-N 3.25Å; P1397-K1399 PolarHBondContact O-N 2.66Å; P1397-K1399 VanDerWaalsContact O-N 3.13Å
1400G54.7Low59.6Low35 Ų3585.4 Ų85.436%0.36143%0.434SS..SBendtrans-176.1-172.8-178.800000117.2P1397 G1423P1397-G1400 PolarHBondContact O-N 3.11Å; P1397-G1400 VanDerWaalsContact O-O 3.12Å; G1400-G1423 PolarHBondContact O-N 2.83Å
1401T52.7Low59.7Low104 Ų10492.3 Ų92.364%0.63846%0.464SS*.EExtended strand (participates in β ladder)trans-103.5110.7172.1-47.30000108
1402T54.3Low60.1Low19 Ų19100 Ų10012%0.11750%0.504CS..EExtended strand (participates in β ladder)trans-98.4143.3175.852.90000108.8I1395 G1420 L1421I1395-T1402 HydrophobicContact CB-CG2 4.25Å; I1395-T1402 HydrophobicContact CG2-CG2 4.26Å; T1402-G1420 CarbonylContact O-C 3.34Å; T1402-G1420 VanDerWaalsContact O-CA 3.26Å; T1402-G1420 WeakPolarHBondContact O-CA 3.43Å; T1402-L1421 PolarHBondContact N-O 2.86Å; T1402-L1421 PolarHBondContact O-N 2.75Å; T1402-L1421 PolarHBondContact OG1-O 2.73Å
1403Y52Low60.5Low105 Ų105100.7 Ų100.741%0.41251%0.507SS..EExtended strand (participates in β ladder)trans-126.7130.7173.461.6-91.3000110.6L1405 V1418 V1419Y1403-L1405 HydrophobicContact CD2-CD2 4.35Å; Y1403-L1405 HydrophobicContact CD2-CG 4.31Å; Y1403-L1405 HydrophobicContact CE2-CG 4.5Å; Y1403-V1418 HydrophobicContact CD2-CG1 4.4Å; Y1403-V1419 CarbonylContact C-O 3.53Å; Y1403-V1419 WeakPolarHBondContact CA-O 3.48Å
1404K56.5Low61.1Low118 Ų11897.7 Ų97.751%0.51349%0.493SS..EExtended strand (participates in β ladder)trans-103.9123.1176.4-172.4173.1-176.2166.40109.4V1406 V1419K1404-V1406 HydrophobicContact CD-CG2 4.19Å; K1404-V1406 HydrophobicContact CG-CG2 3.98Å; K1404-V1419 PolarHBondContact N-O 3.27Å; K1404-V1419 PolarHBondContact O-N 2.79Å
1405L58Low61.4Low103 Ų10398.6 Ų98.654%0.53950%0.495SS..EExtended strand (participates in β ladder)trans-89.2106.8173.2-61176.4000108.9Y1403 V1416 H1417 V1418Y1403-L1405 HydrophobicContact CD2-CD2 4.35Å; Y1403-L1405 HydrophobicContact CD2-CG 4.31Å; Y1403-L1405 HydrophobicContact CE2-CG 4.5Å; L1405-V1416 HydrophobicContact CB-CG1 4.04Å; L1405-V1416 HydrophobicContact CD2-CG1 3.99Å; L1405-H1417 CarbonylContact C-O 3.56Å; L1405-V1418 HydrophobicContact CD2-CB 4.1Å; L1405-V1418 HydrophobicContact CD2-CG1 3.94Å; L1405-V1418 HydrophobicContact CD2-CG2 3.55Å
1406V63.6Low61.8Low47 Ų47101.1 Ų101.129%0.28551%0.512SS..EExtended strand (participates in β ladder)trans-101.3106177.2-176.90000108.8K1404 K1408 H1417 V1419K1404-V1406 HydrophobicContact CD-CG2 4.19Å; K1404-V1406 HydrophobicContact CG-CG2 3.98Å; V1406-K1408 HydrophobicContact CG1-CG 4.4Å; V1406-H1417 HydrophobicContact CB-CB 4.2Å; V1406-H1417 PolarHBondContact N-O 2.76Å; V1406-H1417 PolarHBondContact O-N 2.82Å; V1406-V1419 HydrophobicContact CG2-CG2 4.47Å
1407R66.3Low62.2Low166 Ų166102.5 Ų102.563%0.62651%0.51SS*.EExtended strand (participates in β ladder)trans-75.3124.6175.6-170.2-175.3-173.1-157.3-1.7110.3E1414R1407-E1414 WeakPolarHBondContact CD-OE1 3.45Å; R1407-E1414 HydrophobicContact CG-CG 4.21Å; R1407-E1414 IonicContact CZ-OE1 3.54Å; R1407-E1414 IonicContact CZ-OE2 3.89Å; R1407-E1414 IonicContact NE-OE1 3.43Å; R1407-E1414 PolarHBondContact NE-OE1 2.81Å; R1407-E1414 IonicContact NE-OE2 3.91Å; R1407-E1414 PolarHBondContact NE-OE2 2.88Å; R1407-E1414 IonicContact NH2-OE1 2.81Å; R1407-E1414 IonicContact NH2-OE2 3.31Å; R1407-E1414 PolarHBondContact NH2-OE2 2.86Å
1408K71.3Confident62.4Low119 Ų119104.5 Ų104.552%0.51752%0.522SS..EExtended strand (participates in β ladder)trans-127.6122.9171.7-69.2-171.7178.2179.20109V1406 H1415V1406-K1408 HydrophobicContact CG1-CG 4.4Å; K1408-H1415 HydrophobicContact CB-CB 4.49Å; K1408-H1415 PolarHBondContact N-O 2.77Å; K1408-H1415 WeakPolarHBondContact O-CA 3.35Å; K1408-H1415 WeakPolarHBondContact O-CB 3.43Å; K1408-H1415 PolarHBondContact O-N 2.75Å; K1408-H1415 VanDerWaalsContact O-O 3.07Å
1409V73.5Confident62.6Low92 Ų92100.8 Ų100.856%0.55851%0.509SS*.EExtended strand (participates in β ladder)trans-96.6117173.7-176.70000107.6
1410F71.9Confident62.7Low129 Ų12996.2 Ų96.257%0.56650%0.504SS*.EExtended strand (participates in β ladder)trans-127.5122.5178.9-173.7-101.3000109.5N1412 T1413F1410-N1412 PolarHBondContact O-N 2.73Å; F1410-T1413 PolarHBondContact N-O 3.32Å; F1410-T1413 WeakPolarHBondContact O-CA 3.41Å; F1410-T1413 WeakPolarHBondContact O-CB 3.18Å; F1410-T1413 PolarHBondContact O-N 2.81Å; F1410-T1413 VanDerWaalsContact O-O 3.08Å
1411Q68.9Low62.8Low161 Ų16199.3 Ų99.375%0.75251%0.512SS*.THydrogen-bonded Turntrans46.255.6-177.8-64.9-176.1-15.600113.6T1413Q1411-T1413 PolarHBondContact O-N 3.43Å; Q1411-T1413 PolarHBondContact O-OG1 2.67Å
1412N72.4Confident62.7Low167 Ų167104.1 Ų104.189%0.89352%0.518SS*.THydrogen-bonded Turntrans57.29.4-176.1-84.2-0.8000115.7F1410F1410-N1412 PolarHBondContact O-N 2.73Å
1413T61Low62.6Low80 Ų80104.1 Ų104.149%0.49152%0.522SS..EExtended strand (participates in β ladder)trans-106.7124.7176.1-410000108.3F1410 Q1411 H1415F1410-T1413 PolarHBondContact N-O 3.32Å; F1410-T1413 WeakPolarHBondContact O-CA 3.41Å; F1410-T1413 WeakPolarHBondContact O-CB 3.18Å; F1410-T1413 PolarHBondContact O-N 2.81Å; F1410-T1413 VanDerWaalsContact O-O 3.08Å; Q1411-T1413 PolarHBondContact O-N 3.43Å; Q1411-T1413 PolarHBondContact O-OG1 2.67Å; T1413-H1415 PolarHBondContact O-CD2 3.49Å
1414E70.8Confident62.3Low103 Ų103108.7 Ų108.748%0.48154%0.544SS..EExtended strand (participates in β ladder)trans-83.4117.2178.9-175.4169.7167.600110.1R1407 V1416R1407-E1414 WeakPolarHBondContact CD-OE1 3.45Å; R1407-E1414 HydrophobicContact CG-CG 4.21Å; R1407-E1414 IonicContact CZ-OE1 3.54Å; R1407-E1414 IonicContact CZ-OE2 3.89Å; R1407-E1414 IonicContact NE-OE1 3.43Å; R1407-E1414 PolarHBondContact NE-OE1 2.81Å; R1407-E1414 IonicContact NE-OE2 3.91Å; R1407-E1414 PolarHBondContact NE-OE2 2.88Å; R1407-E1414 IonicContact NH2-OE1 2.81Å; R1407-E1414 IonicContact NH2-OE2 3.31Å; R1407-E1414 PolarHBondContact NH2-OE2 2.86Å; E1414-V1416 HydrophobicContact CG-CG2 4.38Å
1415H64Low61.6Low83 Ų83106.5 Ų106.538%0.38455%0.549SS..EExtended strand (participates in β ladder)trans-105.5114.5172.6-64.8-87.3000109.3K1408 T1413K1408-H1415 HydrophobicContact CB-CB 4.49Å; K1408-H1415 PolarHBondContact N-O 2.77Å; K1408-H1415 WeakPolarHBondContact O-CA 3.35Å; K1408-H1415 WeakPolarHBondContact O-CB 3.43Å; K1408-H1415 PolarHBondContact O-N 2.75Å; K1408-H1415 VanDerWaalsContact O-O 3.07Å; T1413-H1415 PolarHBondContact O-CD2 3.49Å
1416V64.8Low60.8Low75 Ų75107.3 Ų107.346%0.45556%0.56SS.*EExtended strand (participates in β ladder)trans-96.2107.2170-176.60000107.8L1405 E1414L1405-V1416 HydrophobicContact CB-CG1 4.04Å; L1405-V1416 HydrophobicContact CD2-CG1 3.99Å; E1414-V1416 HydrophobicContact CG-CG2 4.38Å
1417H63.9Low59.7Low92 Ų92114 Ų11443%0.42659%0.588SS.*EExtended strand (participates in β ladder)trans-82117.8174.3-72.8-112.7000109.2L1405 V1406L1405-H1417 CarbonylContact C-O 3.56Å; V1406-H1417 HydrophobicContact CB-CB 4.2Å; V1406-H1417 PolarHBondContact N-O 2.76Å; V1406-H1417 PolarHBondContact O-N 2.82Å
1418V58.2Low58.3Low98 Ų98113.6 Ų113.659%0.59460%0.598SS**EExtended strand (participates in β ladder)trans-90.6112.2171.6-1680000108Y1403 L1405Y1403-V1418 HydrophobicContact CD2-CG1 4.4Å; L1405-V1418 HydrophobicContact CD2-CB 4.1Å; L1405-V1418 HydrophobicContact CD2-CG1 3.94Å; L1405-V1418 HydrophobicContact CD2-CG2 3.55Å
1419V60Low56.8Low73 Ų73113.3 Ų113.344%0.44261%0.608SS.*EExtended strand (participates in β ladder)trans-106.4105.4177-1760000108.3Y1403 K1404 V1406Y1403-V1419 CarbonylContact C-O 3.53Å; Y1403-V1419 WeakPolarHBondContact CA-O 3.48Å; K1404-V1419 PolarHBondContact N-O 3.27Å; K1404-V1419 PolarHBondContact O-N 2.79Å; V1406-V1419 HydrophobicContact CG2-CG2 4.47Å
1420G58Low55.1Low51 Ų51117.8 Ų117.853%0.52662%0.623SS.*EExtended strand (participates in β ladder)trans-85.6127.1173.900000111.5T1402T1402-G1420 CarbonylContact O-C 3.34Å; T1402-G1420 VanDerWaalsContact O-CA 3.26Å; T1402-G1420 WeakPolarHBondContact O-CA 3.43Å
1421L56Low53.4Low101 Ų101118 Ų11853%0.52964%0.635SS.*EExtended strand (participates in β ladder)trans-103.9113165.8-71.6166.3000107.8T1402T1402-L1421 PolarHBondContact N-O 2.86Å; T1402-L1421 PolarHBondContact O-N 2.75Å; T1402-L1421 PolarHBondContact OG1-O 2.73Å
1422R51Low51.9Low204 Ų204117.7 Ų117.777%0.7764%0.637SS**EExtended strand (participates in β ladder)trans-87.9124.3170.1-166.7176.6-174.8172.81107.4F1424R1422-F1424 PolarHBondContact O-N 2.94Å
1423G52.5Low50.4Low20 Ų20116 Ų11621%0.20664%0.636CS.*  trans-52.6126.8173.300000112.1P1397 G1400 A1425P1397-G1423 WeakPolarHBondContact O-CA 3.2Å; P1397-G1423 PolarHBondContact O-N 3.29Å; G1400-G1423 PolarHBondContact O-N 2.83Å; G1423-A1425 PolarHBondContact O-N 2.88Å
1424F45.5Very low49.3Very low200 Ų200115.7 Ų115.788%0.87765%0.648SS**  trans-7873.9168.7-62.6-85000108.6R1422R1422-F1424 PolarHBondContact O-N 2.94Å
1425A43Very low47.6Very low73 Ų73116.8 Ų116.860%0.60366%0.662SS**  trans-66128159.100000106.8G1423 Q1427G1423-A1425 PolarHBondContact O-N 2.88Å; A1425-Q1427 PolarHBondContact O-N 3.42Å
1426P41.1Very low46.2Very low119 Ų119120.5 Ų120.577%0.77369%0.685SS**  trans-55.3129.317422-30.1000107.9L1428P1426-L1428 PolarHBondContact O-N 2.9Å
1427Q39.3Very low44.7Very low187 Ų187126.3 Ų126.387%0.87471%0.707SS**  trans-50.8115.8173.7-76.4172.9-36.700107.3A1425A1425-Q1427 PolarHBondContact O-N 3.42Å
1428L37.9Very low43.3Very low159 Ų159125.8 Ų125.883%0.83272%0.718SS**  trans-52126.3165.4-84.7128.4000106.1P1426 E1430P1426-L1428 PolarHBondContact O-N 2.9Å; L1428-E1430 PolarHBondContact O-N 3.04Å; L1428-E1430 VanDerWaalsContact O-N 3.16Å
1429P39.7Very low42.5Very low113 Ų113127 Ų12773%0.73473%0.728SS**  trans-54.4127.1-172.519.4-29.6000108.7T1431P1429-T1431 PolarHBondContact O-N 3.19Å
1430E38.1Very low41.3Very low186 Ų186129 Ų12987%0.86975%0.746SS**  trans-50.2111.2175.2-76.1179.8156.500108L1428 L1432L1428-E1430 PolarHBondContact O-N 3.04Å; L1428-E1430 VanDerWaalsContact O-N 3.16Å; E1430-L1432 PolarHBondContact O-N 3.08Å
1431T36.5Very low40Very low134 Ų134135.9 Ų135.982%0.82276%0.764SS**  trans-59.4105.4170.242.80000106.9P1429P1429-T1431 PolarHBondContact O-N 3.19Å
1432L36Very low38.8Very low153 Ų153136.1 Ų136.180%0.80178%0.78SS**  trans-50.7127.4174.6-79.1158.4000108.7E1430 G1434E1430-L1432 PolarHBondContact O-N 3.08Å; L1432-G1434 PolarHBondContact O-N 3.35Å; L1432-G1434 VanDerWaalsContact O-N 3.16Å
1433P40.4Very low37.7Very low133 Ų133135.7 Ų135.786%0.86481%0.809SS**THydrogen-bonded Turntrans-72.3112.6-176.628.2-31000108.8
1434G39Very low37Very low73 Ų73141.5 Ų141.575%0.75384%0.839SS**THydrogen-bonded Turntrans146.410.4164.500000119.2L1432L1432-G1434 PolarHBondContact O-N 3.35Å; L1432-G1434 VanDerWaalsContact O-N 3.16Å
1435T34.9Very low36.6Very low125 Ų125138.4 Ų138.477%0.76784%0.837SS**  trans-140.277.517554.80000111.9
1436D34.9Very low36.2Very low161 Ų161142 Ų14286%0.86185%0.85SS**  trans-129.767.6157.9-88.1-27.6000108.1
1437E32.2Very low35.9Very low198 Ų198143.4 Ų143.493%0.92585%0.854SS**  trans-92.582.5144.7-78.3-172.9165.800106.2
1438A35Very low35.7Very low80 Ų80140.6 Ų140.666%0.66185%0.853SS**PPolyproline II helixtrans-93.4125.717100000108.9
1439P42Very low35.6Very low124 Ų124139.4 Ų139.481%0.80585%0.854SS**PPolyproline II helixtrans-76.2134.8-176.430.8-31.6000110.7Q1441P1439-Q1441 PolarHBondContact O-N 3.2Å
1440S34.3Very low35.3Very low115 Ų115141.3 Ų141.380%0.80486%0.863SS**PPolyproline II helixtrans-49.8119164.653.60000111.7
1441Q31.3Very low35Very low196 Ų196137.8 Ų137.892%0.91686%0.862SS**  trans-152.1107155.3-107.9172.726.900110.8P1439P1439-Q1441 PolarHBondContact O-N 3.2Å
1442A29.6Very low34.9Very low105 Ų105138.2 Ų138.287%0.86887%0.866SS**  trans2.3117.4155.100000119.9
1443S29.6Very low34.8Very low195 Ų195136.8 Ų136.8100%1.36487%0.872SS**  -162.20121.462.70000108.7

Retrieved 1,443 of 1,443 residues in 1307.6 ms (Link to these results)

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