A0A3Q0KNU9_SCHMA Loading...

Trafficking protein particle complex subunit 11

AlphaFold DB , UniProt , Accession A0A3Q0KNU9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,452 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
1M72.6Confident81.6Confident38 Ų3855.3 Ų55.319%0.18727%0.266CS..  0440-70.6-80-12000109.5Y3 I4 D5 F312 E313 L514M1-Y3 VanDerWaalsContact C-N 3.27Å; M1-Y3 PolarHBondContact O-N 3.33Å; M1-Y3 PolarHBondContact SD-OH 3.01Å; M1-I4 WeakPolarHBondContact O-CB 3.41Å; M1-I4 PolarHBondContact O-N 3.25Å; M1-D5 WeakPolarHBondContact CA-OD2 3.26Å; M1-D5 VanDerWaalsContact CB-OD2 3.23Å; M1-D5 WeakPolarHBondContact CB-OD2 3.4Å; M1-D5 PolarHBondContact N-OD2 2.8Å; M1-D5 PolarHBondContact O-N 3.11Å; M1-D5 VanDerWaalsContact O-N 3.15Å; M1-D5 VanDerWaalsContact O-OD2 3.07Å; M1-F312 HydrophobicContact CE-CD2 3.67Å; M1-F312 HydrophobicContact CE-CE2 3.56Å; M1-E313 HydrophobicContact CE-CB 3.75Å; M1-E313 HydrophobicContact CE-CG 3.85Å; M1-L514 HydrophobicContact SD-CD2 4.39Å
2E73.9Confident82.2Confident109 Ų10954.3 Ų54.351%0.50927%0.268SS..Hα-helixtrans-59.2-30.1-153.2-62.9-161.1107.600116.1I4 D5 K6E2-I4 PolarHBondContact O-N 3.44Å; E2-D5 PolarHBondContact N-OD2 3.45Å; E2-D5 PolarHBondContact O-N 2.88Å; E2-K6 PolarHBondContact O-N 3.42Å; E2-K6 IonicContact OE1-NZ 2.66Å; E2-K6 PolarHBondContact OE1-NZ 3.31Å
3Y72.7Confident82.4Confident68 Ų6853.8 Ų53.827%0.26727%0.273SS..Hα-helixtrans-67.8-12.4176.853.7-97.3000114.1M1 L265 E313M1-Y3 VanDerWaalsContact C-N 3.27Å; M1-Y3 PolarHBondContact O-N 3.33Å; M1-Y3 PolarHBondContact SD-OH 3.01Å; Y3-L265 HydrophobicContact CD2-CD1 4.17Å; Y3-L265 HydrophobicContact CD2-CD2 4.29Å; Y3-L265 HydrophobicContact CE2-CD1 3.76Å; Y3-L265 HydrophobicContact CE2-CD2 3.7Å; Y3-L265 HydrophobicContact CE2-CG 4.28Å; Y3-E313 PolarHBondContact OH-OE1 2.9Å
4I79.4Confident82.6Confident10 Ų1058.1 Ų58.15%0.05129%0.289CS..Hα-helixtrans-97.5-53.6163.2-68.6163.6000109M1 E2 K6 L265 E313 A316 W317 K320M1-I4 WeakPolarHBondContact O-CB 3.41Å; M1-I4 PolarHBondContact O-N 3.25Å; E2-I4 PolarHBondContact O-N 3.44Å; I4-K6 PolarHBondContact O-N 2.91Å; I4-K6 VanDerWaalsContact O-N 3.1Å; I4-L265 HydrophobicContact CD1-CD1 4.28Å; I4-L265 HydrophobicContact CG1-CD1 4.49Å; I4-E313 HydrophobicContact CD1-CG 3.76Å; I4-A316 HydrophobicContact CG2-CB 4.4Å; I4-W317 HydrophobicContact CD1-CB 4.23Å; I4-W317 HydrophobicContact CG1-CB 4.39Å; I4-W317 HydrophobicContact CG2-CB 4.21Å; I4-K320 HydrophobicContact CG2-CB 4.16Å; I4-K320 WeakPolarHBondContact O-CG 3.25Å
5D76.3Confident83.1Confident32 Ų3254.3 Ų54.317%0.17127%0.27CS..Hα-helixtrans-62.2-23.5-167.2-49.9-50.9000113.8M1 E2 K320 R359M1-D5 WeakPolarHBondContact CA-OD2 3.26Å; M1-D5 VanDerWaalsContact CB-OD2 3.23Å; M1-D5 WeakPolarHBondContact CB-OD2 3.4Å; M1-D5 PolarHBondContact N-OD2 2.8Å; M1-D5 PolarHBondContact O-N 3.11Å; M1-D5 VanDerWaalsContact O-N 3.15Å; M1-D5 VanDerWaalsContact O-OD2 3.07Å; E2-D5 PolarHBondContact N-OD2 3.45Å; E2-D5 PolarHBondContact O-N 2.88Å; D5-K320 WeakPolarHBondContact O-CE 3.42Å; D5-K320 PolarHBondContact O-NZ 3.32Å; D5-K320 VanDerWaalsContact O-NZ 3.13Å; D5-R359 IonicContact OD1-NH1 3.89Å; D5-R359 PolarHBondContact OD1-NH1 3.38Å
6K82.5Confident83.4Confident130 Ų13055.3 Ų55.357%0.56527%0.272SS*.SBendtrans-133126.7-179.6-63.3171-172.21610111.5E2 I4E2-K6 PolarHBondContact O-N 3.42Å; E2-K6 IonicContact OE1-NZ 2.66Å; E2-K6 PolarHBondContact OE1-NZ 3.31Å; I4-K6 PolarHBondContact O-N 2.91Å; I4-K6 VanDerWaalsContact O-N 3.1Å
7L87.6Confident83.9Confident33 Ų3352.5 Ų52.517%0.17326%0.26CS..  trans-71.5146.3165.7-69.3-179000110.2L11 C12 F273 Y276 I324L7-L11 HydrophobicContact CD2-CD2 4.17Å; L7-C12 VanDerWaalsContact CB-SG 3.51Å; L7-F273 HydrophobicContact CD2-CD1 3.77Å; L7-F273 HydrophobicContact CD2-CE1 3.8Å; L7-Y276 HydrophobicContact CD1-CD1 4.36Å; L7-Y276 HydrophobicContact CD1-CD2 3.71Å; L7-Y276 HydrophobicContact CD1-CE2 3.88Å; L7-Y276 HydrophobicContact CD1-CG 3.96Å; L7-I324 HydrophobicContact CD1-CD1 3.81Å; L7-I324 HydrophobicContact CD1-CG1 4.14Å; L7-I324 HydrophobicContact CD1-CG2 4.31Å; L7-I324 HydrophobicContact CD2-CD1 3.93Å; L7-I324 HydrophobicContact CG-CD1 3.81Å; L7-I324 HydrophobicContact CG-CG1 4.5Å
8P88.3Confident84.4Confident20 Ų2049.6 Ų49.613%0.1325%0.245CC..  trans-64.1137.5175.4-19.931.9000112.4E10 L11 C12 F273 Y487P8-E10 WeakPolarHBondContact CB-OE2 3.5Å; P8-E10 PolarHBondContact O-N 3.21Å; P8-E10 VanDerWaalsContact O-N 3.15Å; P8-L11 HydrophobicContact CB-CB 4.48Å; P8-L11 WeakPolarHBondContact O-CA 3.5Å; P8-L11 VanDerWaalsContact O-CB 3.3Å; P8-L11 WeakPolarHBondContact O-CB 3.06Å; P8-L11 PolarHBondContact O-N 2.89Å; P8-C12 PolarHBondContact O-N 3.41Å; P8-F273 VanDerWaalsContact CD-CZ 3.44Å; P8-F273 HydrophobicContact CG-CE1 4.31Å; P8-F273 HydrophobicContact CG-CE2 3.83Å; P8-F273 HydrophobicContact CG-CZ 3.57Å; P8-Y487 HydrophobicContact CB-CE1 4.26Å; P8-Y487 HydrophobicContact CG-CD1 4.28Å; P8-Y487 HydrophobicContact CG-CE1 3.55Å
9D86Confident84.9Confident135 Ų13547 Ų4772%0.72223%0.232SC*.Hα-helixtrans-56.8-32.8178.5-66.2-47.1000112.5L11 C12 C13D9-L11 PolarHBondContact O-N 3.28Å; D9-C12 PolarHBondContact O-N 3.21Å; D9-C13 PolarHBondContact O-N 2.99Å
10E88.6Confident85.4Confident33 Ų3345 Ų4515%0.15422%0.222CC..Hα-helixtrans-64.8-26.9176.3-57.995.9159.900113.3P8 C13 M86 K87 L90P8-E10 WeakPolarHBondContact CB-OE2 3.5Å; P8-E10 PolarHBondContact O-N 3.21Å; P8-E10 VanDerWaalsContact O-N 3.15Å; E10-C13 PolarHBondContact O-SG 2.72Å; E10-M86 HydrophobicContact CB-CB 3.72Å; E10-M86 HydrophobicContact CB-CE 4.27Å; E10-M86 HydrophobicContact CG-CB 4.37Å; E10-K87 HydrophobicContact CG-CB 3.99Å; E10-K87 WeakPolarHBondContact OE1-CB 3.47Å; E10-L90 HydrophobicContact CB-CD1 3.65Å; E10-L90 HydrophobicContact CG-CD1 4.03Å
11L89.9Confident85.8Confident0 Ų042.8 Ų42.80%021%0.212CC..Hα-helixtrans-81.7-39.4174.6-168.277.6000111L7 P8 D9 M86 F228 F273 Y276 K277L7-L11 HydrophobicContact CD2-CD2 4.17Å; P8-L11 HydrophobicContact CB-CB 4.48Å; P8-L11 WeakPolarHBondContact O-CA 3.5Å; P8-L11 VanDerWaalsContact O-CB 3.3Å; P8-L11 WeakPolarHBondContact O-CB 3.06Å; P8-L11 PolarHBondContact O-N 2.89Å; D9-L11 PolarHBondContact O-N 3.28Å; L11-M86 HydrophobicContact CB-CE 4.35Å; L11-M86 HydrophobicContact CD1-SD 4.21Å; L11-F228 HydrophobicContact CD1-CE2 4.42Å; L11-F228 HydrophobicContact CD1-CZ 4.11Å; L11-F273 HydrophobicContact CD1-CB 4.23Å; L11-F273 HydrophobicContact CD2-CB 3.76Å; L11-F273 HydrophobicContact CD2-CD1 3.82Å; L11-F273 HydrophobicContact CD2-CD2 4.38Å; L11-F273 HydrophobicContact CD2-CG 3.74Å; L11-Y276 HydrophobicContact CD2-CD1 3.69Å; L11-Y276 HydrophobicContact CD2-CE1 4.28Å; L11-Y276 HydrophobicContact CD2-CG 4.39Å; L11-Y276 HydrophobicContact CG-CD1 3.83Å; L11-Y276 HydrophobicContact CG-CE1 4.08Å; L11-K277 HydrophobicContact CD1-CD 4.48Å; L11-K277 HydrophobicContact CD1-CG 3.94Å; L11-K277 WeakPolarHBondContact O-CE 3.44Å; L11-K277 PolarHBondContact O-NZ 2.94Å
12C88.4Confident86.8Confident43 Ų4341.1 Ų41.129%0.29120%0.204SC..Hα-helixtrans-76.6-23.2-175.3-66.60000114.2L7 P8 D9 R280L7-C12 VanDerWaalsContact CB-SG 3.51Å; P8-C12 PolarHBondContact O-N 3.41Å; D9-C12 PolarHBondContact O-N 3.21Å; C12-R280 PolarHBondContact O-NH1 3.4Å
13C85.5Confident87.6Confident49 Ų4937.3 Ų37.333%0.33119%0.193SC..SBendtrans-71.1149.1173.277.70000112.2D9 E10 P15D9-C13 PolarHBondContact O-N 2.99Å; E10-C13 PolarHBondContact O-SG 2.72Å; C13-P15 VanDerWaalsContact O-CD 3.27Å; C13-P15 WeakPolarHBondContact O-CD 3.11Å
14K84.7Confident88.5Confident114 Ų11434.5 Ų34.550%0.49618%0.183SC..PPolyproline II helixtrans-68.8118.9160.4-177.2-175.6177.6-166.80106.5K16 D48K14-K16 PolarHBondContact O-N 3.34Å; K14-D48 IonicContact NZ-OD1 2.99Å; K14-D48 PolarHBondContact NZ-OD1 2.78Å; K14-D48 VanDerWaalsContact NZ-OD1 3.15Å
15P89.9Confident89Confident1 Ų136.7 Ų36.71%0.00620%0.195CC..PPolyproline II helixtrans-62.5131.2179.2-25.138000110.8C13 L90 F232 E235 L236 Q238C13-P15 VanDerWaalsContact O-CD 3.27Å; C13-P15 WeakPolarHBondContact O-CD 3.11Å; P15-L90 HydrophobicContact CB-CD2 4.06Å; P15-F232 HydrophobicContact CG-CE2 4.06Å; P15-F232 HydrophobicContact CG-CZ 4.42Å; P15-E235 HydrophobicContact CB-CB 4.06Å; P15-E235 WeakPolarHBondContact CD-OE2 3.14Å; P15-E235 HydrophobicContact CG-CB 3.77Å; P15-E235 HydrophobicContact CG-CG 4.38Å; P15-L236 HydrophobicContact CB-CD2 3.69Å; P15-L236 HydrophobicContact CB-CG 3.86Å; P15-Q238 PolarHBondContact O-NE2 3.37Å
16K88.9Confident89.4Confident69 Ų6937.2 Ų37.230%0.320%0.199SC..  trans-124.3137.3-178.5-72.6177.9172.1-158.10109.2K14 L18 S49 K51 L236K14-K16 PolarHBondContact O-N 3.34Å; K16-L18 PolarHBondContact O-N 3.27Å; K16-S49 WeakPolarHBondContact CB-O 3.26Å; K16-S49 WeakPolarHBondContact CD-O 3.39Å; K16-S49 WeakPolarHBondContact CG-O 3.42Å; K16-S49 PolarHBondContact NZ-OG 3.49Å; K16-K51 HydrophobicContact CB-CB 4.1Å; K16-L236 WeakPolarHBondContact O-CD2 3.21Å
17P91.7Very high89.6Confident9 Ų938.4 Ų38.46%0.05821%0.207CC..  trans-54.8127.9176-2431.6000111.4F50 K51 A196 Y200 L236P17-F50 HydrophobicContact CB-CD1 3.91Å; P17-F50 HydrophobicContact CB-CE1 4.35Å; P17-F50 HydrophobicContact CG-CD1 4.1Å; P17-F50 HydrophobicContact CG-CE1 4.28Å; P17-K51 PolarHBondContact O-N 2.88Å; P17-A196 HydrophobicContact CB-CB 3.95Å; P17-A196 HydrophobicContact CG-CB 4.33Å; P17-Y200 HydrophobicContact CB-CE2 3.93Å; P17-Y200 HydrophobicContact CG-CE2 4.4Å; P17-L236 WeakPolarHBondContact CG-O 3.2Å
18L93Very high89.7Confident0 Ų045.1 Ų45.10%024%0.235CC..EExtended strand (participates in β ladder)trans-83.1119.8173.1176.859.3000109.1K16 K51 R53 E91 P94 A95 Y200K16-L18 PolarHBondContact O-N 3.27Å; L18-K51 HydrophobicContact CD1-CG 4.44Å; L18-K51 WeakPolarHBondContact CD1-O 3.19Å; L18-R53 HydrophobicContact CD1-CB 4.43Å; L18-R53 HydrophobicContact CD1-CG 3.77Å; L18-E91 WeakPolarHBondContact CD2-O 3.35Å; L18-P94 HydrophobicContact CG-CB 4.23Å; L18-P94 CarbonylContact O-C 3.59Å; L18-P94 VanDerWaalsContact O-CA 3.27Å; L18-P94 WeakPolarHBondContact O-CA 3.31Å; L18-A95 PolarHBondContact O-N 3.4Å; L18-Y200 PolarHBondContact N-OH 2.87Å
19I93.3Very high89.7Confident0 Ų046.2 Ų46.20%024%0.239CC..EExtended strand (participates in β ladder)trans-119.1129.4171.6-59.7171.5000107.6F21 F50 K51 F52 R53 F96 F192I19-F21 HydrophobicContact CG2-CD1 3.9Å; I19-F21 HydrophobicContact CG2-CE1 3.7Å; I19-F50 HydrophobicContact CD1-CB 4.11Å; I19-F50 HydrophobicContact CD1-CD1 3.25Å; I19-F50 HydrophobicContact CD1-CE1 3.8Å; I19-F50 HydrophobicContact CD1-CG 3.78Å; I19-F50 HydrophobicContact CG1-CD1 4.17Å; I19-K51 PolarHBondContact N-O 3.46Å; I19-K51 VanDerWaalsContact N-O 3.1Å; I19-F52 HydrophobicContact CB-CD1 3.98Å; I19-F52 HydrophobicContact CB-CE1 4.22Å; I19-F52 HydrophobicContact CD1-CE1 3.93Å; I19-F52 HydrophobicContact CG2-CD1 4.28Å; I19-F52 HydrophobicContact CG2-CE1 4.42Å; I19-F52 WeakPolarHBondContact O-CA 3.41Å; I19-R53 PolarHBondContact O-N 2.61Å; I19-F96 HydrophobicContact CD1-CE1 3.59Å; I19-F96 HydrophobicContact CD1-CZ 3.54Å; I19-F96 HydrophobicContact CG1-CD1 4.34Å; I19-F96 HydrophobicContact CG1-CE1 3.73Å; I19-F96 HydrophobicContact CG1-CZ 3.91Å; I19-F96 HydrophobicContact CG2-CD2 4.35Å; I19-F96 HydrophobicContact CG2-CE1 4.39Å; I19-F96 HydrophobicContact CG2-CE2 3.83Å; I19-F96 HydrophobicContact CG2-CZ 3.84Å; I19-F192 HydrophobicContact CD1-CB 3.94Å; I19-F192 HydrophobicContact CD1-CD2 3.98Å; I19-F192 HydrophobicContact CD1-CG 4.21Å
20V94.4Very high89.7Confident6 Ų647.3 Ų47.34%0.03624%0.24CC..EExtended strand (participates in β ladder)trans-101.8130175.6167.10000109.2R53 K55 F61 P94 F96 V97 A98V20-R53 CarbonylContact C-O 3.53Å; V20-R53 VanDerWaalsContact CA-O 3.32Å; V20-R53 WeakPolarHBondContact CA-O 3.39Å; V20-R53 HydrophobicContact CG2-CB 4.24Å; V20-K55 HydrophobicContact CG1-CB 3.78Å; V20-K55 HydrophobicContact CG1-CG 3.87Å; V20-F61 HydrophobicContact CG1-CE1 4.36Å; V20-F61 HydrophobicContact CG1-CZ 4.1Å; V20-F61 HydrophobicContact CG2-CE1 4.26Å; V20-P94 HydrophobicContact CB-CB 4.16Å; V20-P94 HydrophobicContact CB-CG 4.31Å; V20-P94 HydrophobicContact CG2-CB 3.92Å; V20-P94 HydrophobicContact CG2-CG 4.12Å; V20-F96 PolarHBondContact N-O 2.94Å; V20-V97 HydrophobicContact CB-CG2 4.27Å; V20-V97 HydrophobicContact CG1-CG1 4.33Å; V20-V97 CarbonylContact O-C 3.44Å; V20-V97 WeakPolarHBondContact O-CA 3.31Å; V20-A98 PolarHBondContact O-N 2.85Å
21F94.6Very high89.6Confident0 Ų047.8 Ų47.80%025%0.245CC..EExtended strand (participates in β ladder)trans-100.2139.8172.8-69.2-3.2000109.1I19 L24 W36 F39 F52 R53 C54 K55 A98 F100 F192I19-F21 HydrophobicContact CG2-CD1 3.9Å; I19-F21 HydrophobicContact CG2-CE1 3.7Å; F21-L24 HydrophobicContact CB-CD1 4.25Å; F21-L24 HydrophobicContact CD2-CD1 3.78Å; F21-L24 HydrophobicContact CG-CD1 4.44Å; F21-W36 AromaticContact CD2-CE3 3.77Å; F21-W36 HydrophobicContact CD2-CE3 3.77Å; F21-W36 AromaticContact CD2-CZ3 3.75Å; F21-W36 HydrophobicContact CD2-CZ3 3.75Å; F21-W36 HydrophobicContact CE2-CE3 4.27Å; F21-W36 HydrophobicContact CE2-CZ3 4.3Å; F21-W36 HydrophobicContact CG-CZ3 4.44Å; F21-F39 HydrophobicContact CE2-CB 4.11Å; F21-F39 HydrophobicContact CE2-CD1 4.32Å; F21-F39 AromaticContact CE2-CD2 3.57Å; F21-F39 HydrophobicContact CE2-CD2 3.57Å; F21-F39 AromaticContact CE2-CE2 3.97Å; F21-F39 HydrophobicContact CE2-CE2 3.97Å; F21-F39 AromaticContact CE2-CG 3.76Å; F21-F39 HydrophobicContact CE2-CG 3.76Å; F21-F39 HydrophobicContact CE2-CZ 4.5Å; F21-F39 HydrophobicContact CZ-CB 4.5Å; F21-F39 AromaticContact CZ-CD1 3.97Å; F21-F39 HydrophobicContact CZ-CD1 3.97Å; F21-F39 AromaticContact CZ-CD2 3.93Å; F21-F39 HydrophobicContact CZ-CD2 3.93Å; F21-F39 HydrophobicContact CZ-CE1 4.07Å; F21-F39 HydrophobicContact CZ-CE2 4.03Å; F21-F39 AromaticContact CZ-CG 3.89Å; F21-F39 HydrophobicContact CZ-CG 3.89Å; F21-F39 HydrophobicContact CZ-CZ 4.1Å; F21-F52 HydrophobicContact CD1-CD1 4.28Å; F21-F52 AromaticContact CE1-CD1 3.5Å; F21-F52 HydrophobicContact CE1-CD1 3.5Å; F21-F52 AromaticContact CE1-CE1 3.68Å; F21-F52 HydrophobicContact CE1-CE1 3.68Å; F21-F52 HydrophobicContact CE2-CD1 4.03Å; F21-F52 HydrophobicContact CE2-CE1 4.41Å; F21-F52 HydrophobicContact CE2-CG 4.33Å; F21-F52 AromaticContact CZ-CD1 3.35Å; F21-F52 HydrophobicContact CZ-CD1 3.35Å; F21-F52 AromaticContact CZ-CE1 3.44Å; F21-F52 HydrophobicContact CZ-CE1 3.44Å; F21-F52 VanDerWaalsContact CZ-CE1 3.44Å; F21-F52 HydrophobicContact CZ-CG 4.07Å; F21-F52 HydrophobicContact CZ-CZ 4.19Å; F21-R53 PolarHBondContact N-O 2.86Å; F21-C54 CarbonylContact O-C 3.58Å; F21-C54 WeakPolarHBondContact O-CA 3.38Å; F21-K55 PolarHBondContact O-N 3.12Å; F21-A98 CarbonylContact C-O 3.58Å; F21-A98 WeakPolarHBondContact CA-O 3.42Å; F21-A98 HydrophobicContact CD1-CB 3.89Å; F21-A98 HydrophobicContact CE1-CB 4.16Å; F21-F100 HydrophobicContact CB-CD2 4.31Å; F21-F100 HydrophobicContact CB-CE2 3.98Å; F21-F100 AromaticContact CD1-CE2 3.76Å; F21-F100 HydrophobicContact CD1-CE2 3.76Å; F21-F100 HydrophobicContact CD1-CZ 4.47Å; F21-F100 AromaticContact CD2-CE2 3.65Å; F21-F100 HydrophobicContact CD2-CE2 3.65Å; F21-F100 HydrophobicContact CD2-CZ 4.09Å; F21-F100 HydrophobicContact CE1-CE2 4.05Å; F21-F100 HydrophobicContact CE1-CZ 4.33Å; F21-F100 AromaticContact CE2-CE2 3.98Å; F21-F100 HydrophobicContact CE2-CE2 3.98Å; F21-F100 AromaticContact CE2-CZ 3.96Å; F21-F100 HydrophobicContact CE2-CZ 3.96Å; F21-F100 HydrophobicContact CG-CD2 4.34Å; F21-F100 AromaticContact CG-CE2 3.54Å; F21-F100 HydrophobicContact CG-CE2 3.54Å; F21-F100 HydrophobicContact CG-CZ 4.35Å; F21-F100 HydrophobicContact CZ-CE2 4.16Å; F21-F100 HydrophobicContact CZ-CZ 4.08Å; F21-F192 HydrophobicContact CE1-CE2 4.01Å; F21-F192 HydrophobicContact CE1-CZ 4.45Å; F21-F192 HydrophobicContact CZ-CE2 4.05Å
22S93.7Very high89.7Confident3 Ų348.3 Ų48.32%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-134.5160.4174.4-67.60000111L24 K55 A98 F100S22-L24 PolarHBondContact O-N 3.41Å; S22-K55 VanDerWaalsContact CA-O 3.28Å; S22-K55 WeakPolarHBondContact CA-O 3.18Å; S22-K55 WeakPolarHBondContact CB-O 3.02Å; S22-K55 PolarHBondContact OG-O 3.31Å; S22-A98 PolarHBondContact N-O 3.35Å; S22-F100 PolarHBondContact O-N 3.18Å
23G91.4Very high89.8Confident28 Ų2850.1 Ų50.129%0.28925%0.249SC..SBendtrans82.9-19.4-176.400000115.4D25G23-D25 PolarHBondContact O-N 2.89Å; G23-D25 VanDerWaalsContact O-N 3.13Å
24L90.9Very high89.9Confident9 Ų949.9 Ų49.95%0.04725%0.247CC..  trans-74.698.3174.7-66.9177.5000112.5F21 S22 T26 H32 F100 I140F21-L24 HydrophobicContact CB-CD1 4.25Å; F21-L24 HydrophobicContact CD2-CD1 3.78Å; F21-L24 HydrophobicContact CG-CD1 4.44Å; S22-L24 PolarHBondContact O-N 3.41Å; L24-T26 PolarHBondContact O-N 2.91Å; L24-H32 HydrophobicContact CB-CB 4.4Å; L24-H32 HydrophobicContact CD2-CB 3.93Å; L24-F100 HydrophobicContact CD1-CD1 4.47Å; L24-F100 HydrophobicContact CD1-CD2 3.79Å; L24-F100 HydrophobicContact CD1-CE2 3.93Å; L24-F100 HydrophobicContact CD1-CG 4.08Å; L24-F100 HydrophobicContact CD1-CZ 4.3Å; L24-F100 HydrophobicContact CD2-CB 3.65Å; L24-F100 HydrophobicContact CD2-CD1 3.92Å; L24-F100 HydrophobicContact CD2-CD2 4.21Å; L24-F100 HydrophobicContact CD2-CG 3.66Å; L24-F100 HydrophobicContact CG-CB 3.81Å; L24-F100 HydrophobicContact CG-CD1 4.33Å; L24-F100 HydrophobicContact CG-CD2 3.72Å; L24-F100 HydrophobicContact CG-CE2 4.37Å; L24-F100 HydrophobicContact CG-CG 3.69Å; L24-I140 HydrophobicContact CD2-CD1 3.79Å
25D89Confident90.1Very high57 Ų5744.5 Ų44.531%0.30522%0.224SC..  trans-69.491.7162.5-172.3-22.9000111G23 E27 K28 N29 H32G23-D25 PolarHBondContact O-N 2.89Å; G23-D25 VanDerWaalsContact O-N 3.13Å; D25-E27 VanDerWaalsContact C-N 3.25Å; D25-E27 PolarHBondContact O-N 3.09Å; D25-E27 WeakPolarHBondContact OD1-CA 3.35Å; D25-E27 PolarHBondContact OD1-N 3.18Å; D25-K28 PolarHBondContact OD1-N 3.3Å; D25-K28 WeakPolarHBondContact OD2-CB 2.92Å; D25-K28 WeakPolarHBondContact OD2-CD 3.28Å; D25-K28 WeakPolarHBondContact OD2-CG 3.42Å; D25-N29 HydrophobicContact CB-CB 4.43Å; D25-N29 PolarHBondContact O-N 3.24Å; D25-H32 PolarHBondContact N-ND1 3Å; D25-H32 VanDerWaalsContact O-CB 3.25Å; D25-H32 WeakPolarHBondContact O-CB 3.42Å
26T85.6Confident90Very high42 Ų4247.1 Ų47.126%0.25823%0.234SC..THydrogen-bonded Turntrans-74.3-12.1177.250.50000114.1L24 R33 W36L24-T26 PolarHBondContact O-N 2.91Å; T26-R33 WeakPolarHBondContact O-CG 3.42Å; T26-R33 PolarHBondContact O-NE 3.37Å; T26-W36 HydrophobicContact CG2-CB 3.71Å; T26-W36 HydrophobicContact CG2-CD2 4.31Å; T26-W36 HydrophobicContact CG2-CG 3.62Å
27E86.9Confident89.9Confident156 Ų15651.1 Ų51.173%0.72925%0.247SC*.THydrogen-bonded Turntrans-92.5-41-174.1-67.4-174.9178.800111.9D25 R33D25-E27 VanDerWaalsContact C-N 3.25Å; D25-E27 PolarHBondContact O-N 3.09Å; D25-E27 WeakPolarHBondContact OD1-CA 3.35Å; D25-E27 PolarHBondContact OD1-N 3.18Å; E27-R33 PolarHBondContact O-NH2 2.73Å
28K88.6Confident89.6Confident173 Ų17350.7 Ų50.775%0.75224%0.244SC*.THydrogen-bonded Turntrans-105.6-42.6-176.4-52.9175.5-165.61590112.9D25D25-K28 PolarHBondContact OD1-N 3.3Å; D25-K28 WeakPolarHBondContact OD2-CB 2.92Å; D25-K28 WeakPolarHBondContact OD2-CD 3.28Å; D25-K28 WeakPolarHBondContact OD2-CG 3.42Å
29N88.6Confident89.3Confident43 Ų4351 Ų5123%0.2325%0.246CC..  trans-86.8116.3-174-177.6-20.6000111.3D25 V31 H32 R33 D102D25-N29 HydrophobicContact CB-CB 4.43Å; D25-N29 PolarHBondContact O-N 3.24Å; N29-V31 PolarHBondContact O-N 2.83Å; N29-V31 WeakPolarHBondContact OD1-CA 3.44Å; N29-V31 WeakPolarHBondContact OD1-CB 3.26Å; N29-V31 PolarHBondContact OD1-N 3.45Å; N29-H32 HydrophobicContact CB-CB 3.89Å; N29-H32 PolarHBondContact ND2-CD2 3.36Å; N29-H32 PolarHBondContact ND2-CE1 2.96Å; N29-H32 PolarHBondContact ND2-ND1 3.11Å; N29-H32 PolarHBondContact ND2-NE2 3.03Å; N29-H32 PolarHBondContact O-N 3.28Å; N29-H32 PolarHBondContact OD1-N 3.06Å; N29-R33 WeakPolarHBondContact O-CB 3.47Å; N29-R33 PolarHBondContact O-N 2.91Å; N29-D102 PolarHBondContact ND2-OD2 3.49Å
30Q86.5Confident88.8Confident158 Ų15853.5 Ų53.574%0.73826%0.259SS*.Hα-helixtrans-65.2-34.8179.4179.8170.7-16.400113.2S34Q30-S34 VanDerWaalsContact O-CB 3.29Å; Q30-S34 WeakPolarHBondContact O-CB 3.45Å; Q30-S34 PolarHBondContact O-N 3.31Å
31V87Confident87.9Confident44 Ų4457.6 Ų57.627%0.26728%0.284SS..Hα-helixtrans-67.1-48.7176.5173.40000110N29 R33 S34 I35 I140 H177N29-V31 PolarHBondContact O-N 2.83Å; N29-V31 WeakPolarHBondContact OD1-CA 3.44Å; N29-V31 WeakPolarHBondContact OD1-CB 3.26Å; N29-V31 PolarHBondContact OD1-N 3.45Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 2.86Å; V31-S34 WeakPolarHBondContact O-CB 3.46Å; V31-S34 PolarHBondContact O-N 3.5Å; V31-S34 VanDerWaalsContact O-N 3.07Å; V31-I35 HydrophobicContact CG1-CD1 3.84Å; V31-I35 WeakPolarHBondContact O-CG1 3.39Å; V31-I35 PolarHBondContact O-N 3.44Å; V31-I140 HydrophobicContact CG1-CG2 3.98Å; V31-H177 HydrophobicContact CG1-CB 3.91Å
32H91.8Very high86.3Confident10 Ų1058.9 Ų58.95%0.04629%0.293CS..Hα-helixtrans-57.7-45.4174.4-70177.1000112.2L24 D25 N29 S34 I35 W36 D102 I140L24-H32 HydrophobicContact CB-CB 4.4Å; L24-H32 HydrophobicContact CD2-CB 3.93Å; D25-H32 PolarHBondContact N-ND1 3Å; D25-H32 VanDerWaalsContact O-CB 3.25Å; D25-H32 WeakPolarHBondContact O-CB 3.42Å; N29-H32 HydrophobicContact CB-CB 3.89Å; N29-H32 PolarHBondContact ND2-CD2 3.36Å; N29-H32 PolarHBondContact ND2-CE1 2.96Å; N29-H32 PolarHBondContact ND2-ND1 3.11Å; N29-H32 PolarHBondContact ND2-NE2 3.03Å; N29-H32 PolarHBondContact O-N 3.28Å; N29-H32 PolarHBondContact OD1-N 3.06Å; H32-S34 VanDerWaalsContact C-N 3.28Å; H32-S34 PolarHBondContact O-N 2.65Å; H32-I35 PolarHBondContact O-N 2.68Å; H32-W36 WeakPolarHBondContact O-CB 3.28Å; H32-W36 PolarHBondContact O-N 3.29Å; H32-D102 IonicContact CD2-OD1 3Å; H32-D102 IonicContact CE1-OD2 3.76Å; H32-D102 PolarHBondContact CE1-OD2 3.44Å; H32-D102 IonicContact NE2-OD1 2.68Å; H32-D102 PolarHBondContact NE2-OD1 3.09Å; H32-D102 IonicContact NE2-OD2 2.65Å; H32-D102 PolarHBondContact NE2-OD2 3.02Å; H32-I140 VanDerWaalsContact CD2-CD1 3.43Å; H32-I140 WeakPolarHBondContact CD2-CD1 3.34Å; H32-I140 WeakPolarHBondContact NE2-CD1 3.36Å
33R89.6Confident84.6Confident82 Ų8266 Ų6631%0.30932%0.324SS..Hα-helixtrans-62.9-34.7175.9-162.5-169.8-59.4142.5-4.4112.1T26 E27 N29 V31 R37T26-R33 WeakPolarHBondContact O-CG 3.42Å; T26-R33 PolarHBondContact O-NE 3.37Å; E27-R33 PolarHBondContact O-NH2 2.73Å; N29-R33 WeakPolarHBondContact O-CB 3.47Å; N29-R33 PolarHBondContact O-N 2.91Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 2.86Å; R33-R37 WeakPolarHBondContact O-CB 3.36Å; R33-R37 WeakPolarHBondContact O-CD 3.47Å; R33-R37 WeakPolarHBondContact O-CG 3.44Å; R33-R37 PolarHBondContact O-N 3.04Å
34S87.4Confident82.8Confident44 Ų4468.1 Ų68.131%0.30833%0.334SS..Hα-helixtrans-70.8-43.6176.4-166.10000112Q30 V31 H32 R37 A38 H177Q30-S34 VanDerWaalsContact O-CB 3.29Å; Q30-S34 WeakPolarHBondContact O-CB 3.45Å; Q30-S34 PolarHBondContact O-N 3.31Å; V31-S34 WeakPolarHBondContact O-CB 3.46Å; V31-S34 PolarHBondContact O-N 3.5Å; V31-S34 VanDerWaalsContact O-N 3.07Å; H32-S34 VanDerWaalsContact C-N 3.28Å; H32-S34 PolarHBondContact O-N 2.65Å; S34-R37 PolarHBondContact O-N 3.46Å; S34-A38 WeakPolarHBondContact O-CB 3.4Å; S34-A38 PolarHBondContact O-N 2.9Å; S34-H177 PolarHBondContact OG-CE1 3.08Å
35I88.5Confident80.9Confident0 Ų077.5 Ų77.50%038%0.377CS..Hα-helixtrans-61.2-49.4173.3-68164000110.7V31 H32 R37 A38 F39 F100 I140 L175 L181V31-I35 HydrophobicContact CG1-CD1 3.84Å; V31-I35 WeakPolarHBondContact O-CG1 3.39Å; V31-I35 PolarHBondContact O-N 3.44Å; H32-I35 PolarHBondContact O-N 2.68Å; I35-R37 VanDerWaalsContact C-N 3.3Å; I35-R37 PolarHBondContact O-N 3.44Å; I35-A38 PolarHBondContact O-N 2.83Å; I35-A38 VanDerWaalsContact O-N 3.14Å; I35-F39 HydrophobicContact CG2-CD2 3.91Å; I35-F39 HydrophobicContact CG2-CE2 3.81Å; I35-F39 WeakPolarHBondContact O-CD2 3.34Å; I35-F39 PolarHBondContact O-N 3.22Å; I35-F39 VanDerWaalsContact O-N 3.11Å; I35-F100 HydrophobicContact CG2-CE1 3.98Å; I35-I140 HydrophobicContact CD1-CD1 3.63Å; I35-I140 HydrophobicContact CD1-CG1 3.91Å; I35-I140 HydrophobicContact CD1-CG2 3.87Å; I35-L175 HydrophobicContact CD1-CD2 4.22Å; I35-L175 HydrophobicContact CG1-CD2 4.27Å; I35-L175 HydrophobicContact CG2-CD2 3.82Å; I35-L181 HydrophobicContact CG1-CD1 4.17Å; I35-L181 HydrophobicContact CG1-CD2 4.5Å
36W89.2Confident79Confident56 Ų5682.1 Ų82.121%0.21240%0.402CS..Hα-helixtrans-58.1-40.9176175.5-111.7000112.4F21 T26 H32 N40 F52 C54F21-W36 AromaticContact CD2-CE3 3.77Å; F21-W36 HydrophobicContact CD2-CE3 3.77Å; F21-W36 AromaticContact CD2-CZ3 3.75Å; F21-W36 HydrophobicContact CD2-CZ3 3.75Å; F21-W36 HydrophobicContact CE2-CE3 4.27Å; F21-W36 HydrophobicContact CE2-CZ3 4.3Å; F21-W36 HydrophobicContact CG-CZ3 4.44Å; T26-W36 HydrophobicContact CG2-CB 3.71Å; T26-W36 HydrophobicContact CG2-CD2 4.31Å; T26-W36 HydrophobicContact CG2-CG 3.62Å; H32-W36 WeakPolarHBondContact O-CB 3.28Å; H32-W36 PolarHBondContact O-N 3.29Å; W36-N40 VanDerWaalsContact CE2-ND2 3.27Å; W36-N40 WeakPolarHBondContact CZ2-ND2 3.42Å; W36-N40 PolarHBondContact O-N 3.09Å; W36-N40 PolarHBondContact O-ND2 3.37Å; W36-F52 HydrophobicContact CH2-CB 3.99Å; W36-F52 HydrophobicContact CZ3-CB 3.87Å; W36-C54 HydrophobicContact CE3-CB 4.27Å; W36-C54 HydrophobicContact CH2-CB 4.19Å; W36-C54 HydrophobicContact CZ2-CB 4.48Å; W36-C54 HydrophobicContact CZ3-CB 4.06Å
37R87.3Confident77.6Confident153 Ų15383.3 Ų83.358%0.57740%0.402SS*.Hα-helixtrans-62.9-48.9172.7-78.5168.6177.2-178.4-2.8111.4R33 S34 I35 F39 N40 T41R33-R37 WeakPolarHBondContact O-CB 3.36Å; R33-R37 WeakPolarHBondContact O-CD 3.47Å; R33-R37 WeakPolarHBondContact O-CG 3.44Å; R33-R37 PolarHBondContact O-N 3.04Å; S34-R37 PolarHBondContact O-N 3.46Å; I35-R37 VanDerWaalsContact C-N 3.3Å; I35-R37 PolarHBondContact O-N 3.44Å; R37-F39 PolarHBondContact O-N 2.98Å; R37-N40 CarbonylContact O-C 3.53Å; R37-N40 PolarHBondContact O-N 3.14Å; R37-T41 VanDerWaalsContact O-CB 3.27Å; R37-T41 WeakPolarHBondContact O-CB 3.41Å; R37-T41 PolarHBondContact O-N 3.45Å; R37-T41 PolarHBondContact O-OG1 3.03Å; R37-T41 VanDerWaalsContact O-OG1 3.08Å
38A85.2Confident76.3Confident1 Ų178.8 Ų78.81%0.00838%0.382CS..Hα-helixtrans-58.2-43.4-177.500000112.9S34 I35 N40 T41 S42 L181 Y182 I185S34-A38 WeakPolarHBondContact O-CB 3.4Å; S34-A38 PolarHBondContact O-N 2.9Å; I35-A38 PolarHBondContact O-N 2.83Å; I35-A38 VanDerWaalsContact O-N 3.14Å; A38-N40 VanDerWaalsContact C-N 3.32Å; A38-N40 PolarHBondContact O-N 3.38Å; A38-T41 PolarHBondContact O-N 3.01Å; A38-S42 WeakPolarHBondContact O-CB 3.35Å; A38-S42 PolarHBondContact O-N 2.85Å; A38-S42 VanDerWaalsContact O-N 3.14Å; A38-S42 PolarHBondContact O-OG 2.71Å; A38-L181 HydrophobicContact CB-CD2 4.09Å; A38-Y182 HydrophobicContact CB-CD1 4.31Å; A38-Y182 HydrophobicContact CB-CE1 3.8Å; A38-I185 HydrophobicContact CB-CD1 3.39Å
39F86.9Confident75.5Confident7 Ų772.4 Ų72.43%0.03136%0.36CS..Hα-helixtrans-63.4-30.5172.5-81.1-72.8000113.9F21 I35 R37 F52 F100 L175 I185 L188 E189 F192F21-F39 HydrophobicContact CE2-CB 4.11Å; F21-F39 HydrophobicContact CE2-CD1 4.32Å; F21-F39 AromaticContact CE2-CD2 3.57Å; F21-F39 HydrophobicContact CE2-CD2 3.57Å; F21-F39 AromaticContact CE2-CE2 3.97Å; F21-F39 HydrophobicContact CE2-CE2 3.97Å; F21-F39 AromaticContact CE2-CG 3.76Å; F21-F39 HydrophobicContact CE2-CG 3.76Å; F21-F39 HydrophobicContact CE2-CZ 4.5Å; F21-F39 HydrophobicContact CZ-CB 4.5Å; F21-F39 AromaticContact CZ-CD1 3.97Å; F21-F39 HydrophobicContact CZ-CD1 3.97Å; F21-F39 AromaticContact CZ-CD2 3.93Å; F21-F39 HydrophobicContact CZ-CD2 3.93Å; F21-F39 HydrophobicContact CZ-CE1 4.07Å; F21-F39 HydrophobicContact CZ-CE2 4.03Å; F21-F39 AromaticContact CZ-CG 3.89Å; F21-F39 HydrophobicContact CZ-CG 3.89Å; F21-F39 HydrophobicContact CZ-CZ 4.1Å; I35-F39 HydrophobicContact CG2-CD2 3.91Å; I35-F39 HydrophobicContact CG2-CE2 3.81Å; I35-F39 WeakPolarHBondContact O-CD2 3.34Å; I35-F39 PolarHBondContact O-N 3.22Å; I35-F39 VanDerWaalsContact O-N 3.11Å; R37-F39 PolarHBondContact O-N 2.98Å; F39-F52 HydrophobicContact CB-CD2 4.1Å; F39-F52 HydrophobicContact CB-CE2 3.93Å; F39-F52 HydrophobicContact CB-CZ 4.47Å; F39-F52 HydrophobicContact CD1-CE1 4.31Å; F39-F52 AromaticContact CD1-CE2 3.92Å; F39-F52 HydrophobicContact CD1-CE2 3.92Å; F39-F52 AromaticContact CD1-CZ 3.67Å; F39-F52 HydrophobicContact CD1-CZ 3.67Å; F39-F52 HydrophobicContact CE1-CZ 4.32Å; F39-F52 HydrophobicContact CG-CE2 4.36Å; F39-F52 HydrophobicContact CG-CZ 4.43Å; F39-F52 WeakPolarHBondContact O-CE2 3.1Å; F39-F100 HydrophobicContact CE2-CE1 4.13Å; F39-F100 AromaticContact CE2-CZ 3.81Å; F39-F100 HydrophobicContact CE2-CZ 3.81Å; F39-F100 HydrophobicContact CZ-CZ 4.31Å; F39-L175 HydrophobicContact CE2-CD2 4.4Å; F39-I185 HydrophobicContact CD1-CG2 3.71Å; F39-I185 HydrophobicContact CD2-CD1 4.03Å; F39-I185 HydrophobicContact CD2-CG1 4.37Å; F39-I185 HydrophobicContact CE1-CB 4.4Å; F39-I185 HydrophobicContact CE1-CG1 4.24Å; F39-I185 HydrophobicContact CE1-CG2 3.67Å; F39-I185 HydrophobicContact CE2-CD1 4.04Å; F39-I185 HydrophobicContact CE2-CG1 3.95Å; F39-I185 HydrophobicContact CG-CD1 4.41Å; F39-I185 HydrophobicContact CG-CG2 4.28Å; F39-I185 HydrophobicContact CZ-CB 4.49Å; F39-I185 HydrophobicContact CZ-CD1 4.42Å; F39-I185 HydrophobicContact CZ-CG1 3.88Å; F39-I185 HydrophobicContact CZ-CG2 4.2Å; F39-L188 HydrophobicContact CZ-CD1 4.24Å; F39-E189 HydrophobicContact CD1-CG 4.25Å; F39-E189 HydrophobicContact CE1-CG 4.07Å; F39-F192 HydrophobicContact CE1-CD2 4.41Å; F39-F192 AromaticContact CE1-CE2 3.6Å; F39-F192 HydrophobicContact CE1-CE2 3.6Å; F39-F192 HydrophobicContact CE1-CZ 4.3Å; F39-F192 AromaticContact CZ-CE2 3.95Å; F39-F192 HydrophobicContact CZ-CE2 3.95Å; F39-F192 HydrophobicContact CZ-CZ 4.22Å
40N82.8Confident75.4Confident51 Ų5171.4 Ų71.427%0.27335%0.353SS..Hα-helixtrans-90.6-22.4179.7-78.4-84.5000114.1W36 R37 A38 K43W36-N40 VanDerWaalsContact CE2-ND2 3.27Å; W36-N40 WeakPolarHBondContact CZ2-ND2 3.42Å; W36-N40 PolarHBondContact O-N 3.09Å; W36-N40 PolarHBondContact O-ND2 3.37Å; R37-N40 CarbonylContact O-C 3.53Å; R37-N40 PolarHBondContact O-N 3.14Å; A38-N40 VanDerWaalsContact C-N 3.32Å; A38-N40 PolarHBondContact O-N 3.38Å; N40-K43 WeakPolarHBondContact O-CE 3.43Å
41T75.2Confident75.5Confident93 Ų9366.7 Ų66.757%0.57133%0.33SS*.Hα-helixtrans-89.2-22-179.4-65.10000112.4R37 A38 K43R37-T41 VanDerWaalsContact O-CB 3.27Å; R37-T41 WeakPolarHBondContact O-CB 3.41Å; R37-T41 PolarHBondContact O-N 3.45Å; R37-T41 PolarHBondContact O-OG1 3.03Å; R37-T41 VanDerWaalsContact O-OG1 3.08Å; A38-T41 PolarHBondContact O-N 3.01Å; T41-K43 PolarHBondContact O-N 3Å
42S61.1Low75.7Confident26 Ų2665.6 Ų65.618%0.18232%0.322CS..  trans-69.528.2-178.3-61.70000115.4A38 S44A38-S42 WeakPolarHBondContact O-CB 3.35Å; A38-S42 PolarHBondContact O-N 2.85Å; A38-S42 VanDerWaalsContact O-N 3.14Å; A38-S42 PolarHBondContact O-OG 2.71Å; S42-S44 PolarHBondContact O-N 2.89Å
43K58.1Low75.6Confident153 Ų15370.2 Ų70.267%0.66534%0.339SS*.  trans-75.460.4174.3-63.3171.9-176.6163.40111.4N40 T41N40-K43 WeakPolarHBondContact O-CE 3.43Å; T41-K43 PolarHBondContact O-N 3Å
44S52.2Low75.7Confident72 Ų7268.2 Ų68.250%0.50334%0.337SS..  trans-57.2141.4153.51790000108.2S42 D46 R47S42-S44 PolarHBondContact O-N 2.89Å; S44-D46 PolarHBondContact O-N 3.41Å; S44-D46 VanDerWaalsContact O-N 3.07Å; S44-R47 PolarHBondContact O-N 3.15Å; S44-R47 VanDerWaalsContact O-N 3.1Å
45H51.2Low75.9Confident206 Ų20670.3 Ų70.395%0.95434%0.341SS*.THydrogen-bonded Turntrans-57.9-24179.3-75.6-85.8000113
46D50.1Low76Confident155 Ų15573.8 Ų73.883%0.82937%0.365SS*.THydrogen-bonded Turntrans-94.40.3-176.6-146.431.7000113.7S44S44-D46 PolarHBondContact O-N 3.41Å; S44-D46 VanDerWaalsContact O-N 3.07Å
47R54.6Low76Confident67 Ų6772.5 Ų72.525%0.25336%0.364SS..SBendtrans-92.1116174.6-81.1-167.7169.9-98.4-26.9111.6S44 S49 E189S44-R47 PolarHBondContact O-N 3.15Å; S44-R47 VanDerWaalsContact O-N 3.1Å; R47-S49 PolarHBondContact O-N 3.3Å; R47-S49 PolarHBondContact O-OG 3.47Å; R47-E189 IonicContact CZ-OE2 2.72Å; R47-E189 IonicContact NH1-OE2 3.18Å; R47-E189 PolarHBondContact NH1-OE2 2.96Å
48D59.4Low76Confident60 Ų6069.2 Ų69.232%0.32136%0.357SS..  trans-53.399.2163.6-80.2-54.5000110K14 F50 R193K14-D48 IonicContact NZ-OD1 2.99Å; K14-D48 PolarHBondContact NZ-OD1 2.78Å; K14-D48 VanDerWaalsContact NZ-OD1 3.15Å; D48-F50 PolarHBondContact O-N 2.84Å; D48-R193 IonicContact OD2-NH1 3.49Å; D48-R193 PolarHBondContact OD2-NH1 3.06Å; D48-R193 VanDerWaalsContact OD2-NH1 3.08Å
49S72.6Confident76.2Confident40 Ų4072.1 Ų72.128%0.2837%0.371SS..  trans-83122.7-166.96.80000110.6K16 R47K16-S49 WeakPolarHBondContact CB-O 3.26Å; K16-S49 WeakPolarHBondContact CD-O 3.39Å; K16-S49 WeakPolarHBondContact CG-O 3.42Å; K16-S49 PolarHBondContact NZ-OG 3.49Å; R47-S49 PolarHBondContact O-N 3.3Å; R47-S49 PolarHBondContact O-OG 3.47Å
50F86.2Confident76.2Confident21 Ų2178.9 Ų78.99%0.09240%0.402CS..  trans-62.2160.3165.1-59.3-85000111.3P17 I19 D48 F52 E189 F192 R193P17-F50 HydrophobicContact CB-CD1 3.91Å; P17-F50 HydrophobicContact CB-CE1 4.35Å; P17-F50 HydrophobicContact CG-CD1 4.1Å; P17-F50 HydrophobicContact CG-CE1 4.28Å; I19-F50 HydrophobicContact CD1-CB 4.11Å; I19-F50 HydrophobicContact CD1-CD1 3.25Å; I19-F50 HydrophobicContact CD1-CE1 3.8Å; I19-F50 HydrophobicContact CD1-CG 3.78Å; I19-F50 HydrophobicContact CG1-CD1 4.17Å; D48-F50 PolarHBondContact O-N 2.84Å; F50-F52 HydrophobicContact CB-CD1 4.25Å; F50-F52 HydrophobicContact CB-CD2 4.39Å; F50-F52 HydrophobicContact CB-CE1 3.78Å; F50-F52 HydrophobicContact CB-CE2 3.94Å; F50-F52 HydrophobicContact CB-CZ 3.62Å; F50-F52 AromaticContact CD2-CZ 3.95Å; F50-F52 HydrophobicContact CD2-CZ 3.95Å; F50-F52 HydrophobicContact CG-CE1 4.25Å; F50-F52 HydrophobicContact CG-CZ 4.01Å; F50-E189 HydrophobicContact CD2-CG 4.43Å; F50-E189 HydrophobicContact CE2-CB 4.03Å; F50-E189 HydrophobicContact CE2-CG 4.29Å; F50-E189 WeakPolarHBondContact CE2-O 3.15Å; F50-E189 VanDerWaalsContact CZ-O 3.24Å; F50-E189 WeakPolarHBondContact CZ-O 3.41Å; F50-F192 HydrophobicContact CE1-CB 4.12Å; F50-F192 HydrophobicContact CE2-CB 4.46Å; F50-F192 HydrophobicContact CZ-CB 3.96Å; F50-R193 HydrophobicContact CZ-CB 3.97Å
51K88.9Confident76.4Confident59 Ų5977.2 Ų77.226%0.25739%0.393SS..EExtended strand (participates in β ladder)trans-104.990.2169.8-173.5176.5177.6-174.60108.4K16 P17 L18 I19 L90 E91K16-K51 HydrophobicContact CB-CB 4.1Å; P17-K51 PolarHBondContact O-N 2.88Å; L18-K51 HydrophobicContact CD1-CG 4.44Å; L18-K51 WeakPolarHBondContact CD1-O 3.19Å; I19-K51 PolarHBondContact N-O 3.46Å; I19-K51 VanDerWaalsContact N-O 3.1Å; K51-L90 WeakPolarHBondContact CD-O 3.36Å; K51-L90 WeakPolarHBondContact CE-O 3.41Å; K51-L90 PolarHBondContact NZ-O 3.41Å; K51-E91 WeakPolarHBondContact CE-OE1 3.35Å; K51-E91 IonicContact NZ-OE1 3.97Å; K51-E91 PolarHBondContact NZ-OE1 3.15Å
52F90.4Very high76.7Confident21 Ų2174.5 Ų74.59%0.09238%0.376CS..EExtended strand (participates in β ladder)trans-76.6141.2178.1-59.7-62.4000111.8I19 F21 W36 F39 F50 E189 F192I19-F52 HydrophobicContact CB-CD1 3.98Å; I19-F52 HydrophobicContact CB-CE1 4.22Å; I19-F52 HydrophobicContact CD1-CE1 3.93Å; I19-F52 HydrophobicContact CG2-CD1 4.28Å; I19-F52 HydrophobicContact CG2-CE1 4.42Å; I19-F52 WeakPolarHBondContact O-CA 3.41Å; F21-F52 HydrophobicContact CD1-CD1 4.28Å; F21-F52 AromaticContact CE1-CD1 3.5Å; F21-F52 HydrophobicContact CE1-CD1 3.5Å; F21-F52 AromaticContact CE1-CE1 3.68Å; F21-F52 HydrophobicContact CE1-CE1 3.68Å; F21-F52 HydrophobicContact CE2-CD1 4.03Å; F21-F52 HydrophobicContact CE2-CE1 4.41Å; F21-F52 HydrophobicContact CE2-CG 4.33Å; F21-F52 AromaticContact CZ-CD1 3.35Å; F21-F52 HydrophobicContact CZ-CD1 3.35Å; F21-F52 AromaticContact CZ-CE1 3.44Å; F21-F52 HydrophobicContact CZ-CE1 3.44Å; F21-F52 VanDerWaalsContact CZ-CE1 3.44Å; F21-F52 HydrophobicContact CZ-CG 4.07Å; F21-F52 HydrophobicContact CZ-CZ 4.19Å; W36-F52 HydrophobicContact CH2-CB 3.99Å; W36-F52 HydrophobicContact CZ3-CB 3.87Å; F39-F52 HydrophobicContact CB-CD2 4.1Å; F39-F52 HydrophobicContact CB-CE2 3.93Å; F39-F52 HydrophobicContact CB-CZ 4.47Å; F39-F52 HydrophobicContact CD1-CE1 4.31Å; F39-F52 AromaticContact CD1-CE2 3.92Å; F39-F52 HydrophobicContact CD1-CE2 3.92Å; F39-F52 AromaticContact CD1-CZ 3.67Å; F39-F52 HydrophobicContact CD1-CZ 3.67Å; F39-F52 HydrophobicContact CE1-CZ 4.32Å; F39-F52 HydrophobicContact CG-CE2 4.36Å; F39-F52 HydrophobicContact CG-CZ 4.43Å; F39-F52 WeakPolarHBondContact O-CE2 3.1Å; F50-F52 HydrophobicContact CB-CD1 4.25Å; F50-F52 HydrophobicContact CB-CD2 4.39Å; F50-F52 HydrophobicContact CB-CE1 3.78Å; F50-F52 HydrophobicContact CB-CE2 3.94Å; F50-F52 HydrophobicContact CB-CZ 3.62Å; F50-F52 AromaticContact CD2-CZ 3.95Å; F50-F52 HydrophobicContact CD2-CZ 3.95Å; F50-F52 HydrophobicContact CG-CE1 4.25Å; F50-F52 HydrophobicContact CG-CZ 4.01Å; F52-E189 HydrophobicContact CZ-CG 4.5Å; F52-F192 HydrophobicContact CE1-CD2 4.11Å; F52-F192 HydrophobicContact CE1-CE2 4.17Å; F52-F192 HydrophobicContact CZ-CD2 4.42Å
53R90.7Very high77.5Confident108 Ų10881.6 Ų81.641%0.40840%0.404SS..EExtended strand (participates in β ladder)trans-137.5120170-67.9-70.4-156.6174.72.1109.4L18 I19 V20 F21 E91L18-R53 HydrophobicContact CD1-CB 4.43Å; L18-R53 HydrophobicContact CD1-CG 3.77Å; I19-R53 PolarHBondContact O-N 2.61Å; V20-R53 CarbonylContact C-O 3.53Å; V20-R53 VanDerWaalsContact CA-O 3.32Å; V20-R53 WeakPolarHBondContact CA-O 3.39Å; V20-R53 HydrophobicContact CG2-CB 4.24Å; F21-R53 PolarHBondContact N-O 2.86Å; R53-E91 IonicContact CZ-OE1 3.58Å; R53-E91 IonicContact NH2-OE1 3.32Å; R53-E91 PolarHBondContact NH2-OE1 3.06Å
54C91.1Very high78.1Confident40 Ų4076.3 Ų76.327%0.2739%0.386SS..EExtended strand (participates in β ladder)trans-75.2137168.1-163.90000110.3F21 W36F21-C54 CarbonylContact O-C 3.58Å; F21-C54 WeakPolarHBondContact O-CA 3.38Å; W36-C54 HydrophobicContact CE3-CB 4.27Å; W36-C54 HydrophobicContact CH2-CB 4.19Å; W36-C54 HydrophobicContact CZ2-CB 4.48Å; W36-C54 HydrophobicContact CZ3-CB 4.06Å
55K91.7Very high78.7Confident87 Ų8779.4 Ų79.438%0.37839%0.39SS..  trans-146.9145.6178.6-69-63.8-173.6-1770110.8V20 F21 S22 H59V20-K55 HydrophobicContact CG1-CB 3.78Å; V20-K55 HydrophobicContact CG1-CG 3.87Å; F21-K55 PolarHBondContact O-N 3.12Å; S22-K55 VanDerWaalsContact CA-O 3.28Å; S22-K55 WeakPolarHBondContact CA-O 3.18Å; S22-K55 WeakPolarHBondContact CB-O 3.02Å; S22-K55 PolarHBondContact OG-O 3.31Å; K55-H59 HydrophobicContact CB-CB 4.06Å
56S91.2Very high78.8Confident73 Ų7380 Ų8051%0.5139%0.385SS..  trans-57.6152.5173-174.90000112.4D58 H59S56-D58 WeakPolarHBondContact CB-OD1 3.46Å; S56-D58 PolarHBondContact O-N 2.76Å; S56-D58 PolarHBondContact OG-OD1 3.37Å; S56-H59 WeakPolarHBondContact O-CB 3.37Å; S56-H59 PolarHBondContact O-N 2.65Å; S56-H59 VanDerWaalsContact O-N 3.1Å
57V88Confident78.9Confident30 Ų3079 Ų7918%0.18237%0.374CS..THydrogen-bonded Turntrans-59.6-27.8-177.6-177.40000112.1L99 M120 T123 V124V57-L99 HydrophobicContact CG2-CD1 4.23Å; V57-M120 HydrophobicContact CG1-CB 4.03Å; V57-M120 HydrophobicContact CG1-CG 4.32Å; V57-T123 HydrophobicContact CG1-CG2 4.19Å; V57-V124 HydrophobicContact CB-CG2 4.45Å; V57-V124 HydrophobicContact CG1-CG2 3.68Å
58D87.9Confident78.5Confident84 Ų8484.7 Ų84.745%0.44940%0.403SS..THydrogen-bonded Turntrans-91.90.6-179.275.5-55.2000114.6S56 Q60 K127S56-D58 WeakPolarHBondContact CB-OD1 3.46Å; S56-D58 PolarHBondContact O-N 2.76Å; S56-D58 PolarHBondContact OG-OD1 3.37Å; D58-Q60 PolarHBondContact O-N 3.07Å; D58-K127 VanDerWaalsContact O-CD 3.3Å; D58-K127 WeakPolarHBondContact O-CD 3.5Å; D58-K127 WeakPolarHBondContact O-CE 3.5Å; D58-K127 PolarHBondContact O-NZ 3.27Å
59H90.2Very high77.8Confident62 Ų6289.7 Ų89.729%0.28743%0.429SS..  trans-55.7128.4-172.6-179.352.4000112.6K55 S56 F61 K127K55-H59 HydrophobicContact CB-CB 4.06Å; S56-H59 WeakPolarHBondContact O-CB 3.37Å; S56-H59 PolarHBondContact O-N 2.65Å; S56-H59 VanDerWaalsContact O-N 3.1Å; H59-F61 AromaticContact CD2-CE1 3.94Å; H59-F61 WeakPolarHBondContact O-CD2 3.37Å; H59-F61 PolarHBondContact O-N 2.8Å; H59-K127 WeakPolarHBondContact O-CB 3.24Å
60Q86.5Confident76.8Confident148 Ų14891.4 Ų91.469%0.69245%0.445SS*.  trans-85106.4-177-58.9-169.648.400111.2D58 K127D58-Q60 PolarHBondContact O-N 3.07Å; Q60-K127 HydrophobicContact CG-CD 4.46Å
61F86.5Confident75Confident17 Ų1793.4 Ų93.48%0.07546%0.462CS..PPolyproline II helixtrans-73.6150.6171.8-61.8-82.1000111.1V20 H59 K63 P94 V97 K127 L128V20-F61 HydrophobicContact CG1-CE1 4.36Å; V20-F61 HydrophobicContact CG1-CZ 4.1Å; V20-F61 HydrophobicContact CG2-CE1 4.26Å; H59-F61 AromaticContact CD2-CE1 3.94Å; H59-F61 WeakPolarHBondContact O-CD2 3.37Å; H59-F61 PolarHBondContact O-N 2.8Å; F61-K63 PolarHBondContact O-N 3.05Å; F61-P94 HydrophobicContact CD1-CG 4.22Å; F61-P94 HydrophobicContact CE1-CG 3.77Å; F61-P94 HydrophobicContact CZ-CG 4.46Å; F61-V97 HydrophobicContact CE1-CG2 4.47Å; F61-V97 HydrophobicContact CE2-CG2 4.38Å; F61-V97 HydrophobicContact CZ-CG2 3.83Å; F61-K127 HydrophobicContact CD2-CB 4.21Å; F61-L128 HydrophobicContact CD1-CD2 4.38Å; F61-L128 HydrophobicContact CD2-CD2 3.52Å; F61-L128 HydrophobicContact CD2-CG 4.08Å; F61-L128 HydrophobicContact CE1-CD2 4.48Å; F61-L128 HydrophobicContact CE2-CD2 3.65Å; F61-L128 HydrophobicContact CE2-CG 4.06Å; F61-L128 HydrophobicContact CG-CD2 3.91Å; F61-L128 HydrophobicContact CZ-CD2 4.14Å
62P82.2Confident73.3Confident35 Ų3593.4 Ų93.423%0.22746%0.461CS..PPolyproline II helixtrans-59.9128.4177.3-19.929.4000110.8E92 R131P62-E92 HydrophobicContact CG-CB 3.83Å; P62-E92 HydrophobicContact CG-CG 4.48Å; P62-E92 WeakPolarHBondContact CG-OE2 3.5Å; P62-R131 PolarHBondContact O-NE 2.87Å; P62-R131 PolarHBondContact O-NH2 3.46Å
63K78.7Confident71.5Confident176 Ų17698.9 Ų98.977%0.76549%0.487SS*.PPolyproline II helixtrans-64.1149.1179.4-65.3-178.6-179.31790111.6F61 R131F61-K63 PolarHBondContact O-N 3.05Å; K63-R131 PolarHBondContact O-NH2 2.87Å
64P69.8Low69.4Low42 Ų42104 Ų10427%0.27351%0.506SS..PPolyproline II helixtrans-63.8135.2169.830-36.9000110Y66 G130P64-Y66 PolarHBondContact O-N 3.41Å; P64-G130 WeakPolarHBondContact CG-O 3.28Å
65K63.9Low67.9Low136 Ų136105.7 Ų105.759%0.59151%0.512SS*.  trans-80.3101.4171.5-70.2-161.4174.2-164.40109.2K67 A477K65-K67 PolarHBondContact O-N 3.32Å; K65-K67 VanDerWaalsContact O-N 3.16Å; K65-A477 PolarHBondContact NZ-O 3.18Å
66Y54Low66.5Low219 Ų219108 Ų10886%0.85953%0.526SS*.  trans-59.6115160.6-88.6-90.8000108.5P64P64-Y66 PolarHBondContact O-N 3.41Å
67K52.5Low65.3Low135 Ų135105.2 Ų105.259%0.58751%0.506SS*.  trans-88132.3155.5-78.7-175.2159.8-156.50107.1K65 Y72K65-K67 PolarHBondContact O-N 3.32Å; K65-K67 VanDerWaalsContact O-N 3.16Å; K67-Y72 VanDerWaalsContact CD-OH 3.26Å; K67-Y72 WeakPolarHBondContact CD-OH 3.23Å; K67-Y72 PolarHBondContact NZ-OH 2.64Å
68Q45.3Very low64.5Low185 Ų185109.6 Ų109.686%0.86452%0.522SS*.  trans-55142.5162.3-91.1171.5-37.400109.4A70Q68-A70 PolarHBondContact O-N 3.11Å
69L46.5Very low64.3Low166 Ų166105.6 Ų105.687%0.86950%0.501SS*.  trans-80.350.4-177.5-160.375.3000111.4S71L69-S71 PolarHBondContact O-N 3.33Å
70A49.7Very low64.2Low75 Ų75102.7 Ų102.762%0.6249%0.488SS*.  trans-57.5130.716100000107.6Q68 Y72Q68-A70 PolarHBondContact O-N 3.11Å; A70-Y72 PolarHBondContact O-N 2.88Å
71S48.2Very low64.3Low63 Ų6395.7 Ų95.744%0.44146%0.455SS..  trans-60.2125.1-174.955.20000109.8L69 E73 W74L69-S71 PolarHBondContact O-N 3.33Å; S71-E73 PolarHBondContact O-N 3.47Å; S71-W74 PolarHBondContact O-N 2.86Å
72Y53.8Low64.4Low59 Ų5997.9 Ų97.923%0.23146%0.464CS..G310 helixtrans-61.1-22.1-173.6-93.1-93.3000112.8K67 A70 W74 L75 H210 H219 L222K67-Y72 VanDerWaalsContact CD-OH 3.26Å; K67-Y72 WeakPolarHBondContact CD-OH 3.23Å; K67-Y72 PolarHBondContact NZ-OH 2.64Å; A70-Y72 PolarHBondContact O-N 2.88Å; Y72-W74 PolarHBondContact O-N 3.11Å; Y72-L75 HydrophobicContact CD1-CB 4.29Å; Y72-L75 HydrophobicContact CD1-CD2 3.56Å; Y72-L75 HydrophobicContact CE1-CD2 3.39Å; Y72-L75 WeakPolarHBondContact O-CA 3.49Å; Y72-L75 WeakPolarHBondContact O-CB 3.28Å; Y72-L75 PolarHBondContact O-N 2.73Å; Y72-H210 AromaticContact CD2-NE2 3.77Å; Y72-H210 AromaticContact CE1-CE1 3.96Å; Y72-H210 AromaticContact CE1-NE2 3.93Å; Y72-H210 AromaticContact CE2-NE2 3.48Å; Y72-H210 WeakPolarHBondContact CE2-NE2 3.35Å; Y72-H210 AromaticContact CZ-CE1 4Å; Y72-H210 AromaticContact CZ-NE2 3.57Å; Y72-H219 PolarHBondContact O-CE1 3.38Å; Y72-H219 PolarHBondContact O-NE2 3.13Å; Y72-H219 VanDerWaalsContact O-NE2 3.15Å; Y72-L222 HydrophobicContact CD1-CD1 4.28Å
73E53.9Low64.4Low137 Ų13796.6 Ų96.664%0.6446%0.456SS*.G310 helixtrans-40.3-45169.8-171.5167.7-133.400114.1S71S71-E73 PolarHBondContact O-N 3.47Å
74W46.5Very low64.6Low216 Ų21688.8 Ų88.882%0.81843%0.426SS*.G310 helixtrans-90.2-6.4178.2-58100.5000114S71 Y72 M76S71-W74 PolarHBondContact O-N 2.86Å; Y72-W74 PolarHBondContact O-N 3.11Å; W74-M76 PolarHBondContact O-N 2.99Å; W74-M76 VanDerWaalsContact O-N 3.13Å
75L58.7Low65.6Low75 Ų7587.9 Ų87.939%0.39342%0.417SS..  trans-85.286.8-175.1-170.576.4000111.8Y72 P77Y72-L75 HydrophobicContact CD1-CB 4.29Å; Y72-L75 HydrophobicContact CD1-CD2 3.56Å; Y72-L75 HydrophobicContact CE1-CD2 3.39Å; Y72-L75 WeakPolarHBondContact O-CA 3.49Å; Y72-L75 WeakPolarHBondContact O-CB 3.28Å; Y72-L75 PolarHBondContact O-N 2.73Å; L75-P77 WeakPolarHBondContact O-CD 3.25Å
76M63.1Low66.9Low136 Ų13681.4 Ų81.467%0.6739%0.389SS*.  trans-55.3122.2168.3-170.8172.668.700110.8W74 K78W74-M76 PolarHBondContact O-N 2.99Å; W74-M76 VanDerWaalsContact O-N 3.13Å; M76-K78 PolarHBondContact O-N 3.47Å
77P65.3Low68.6Low13 Ų1375.1 Ų75.18%0.08437%0.366CS..  trans-71.1123.2-176.9-20.534.2000112.6L75 G79 L221 L222 Q497L75-P77 WeakPolarHBondContact O-CD 3.25Å; P77-G79 PolarHBondContact O-N 2.83Å; P77-L221 HydrophobicContact CB-CB 4.22Å; P77-L222 HydrophobicContact CB-CD2 3.98Å; P77-L222 HydrophobicContact CB-CG 4.18Å; P77-L222 HydrophobicContact CG-CD1 4.28Å; P77-L222 HydrophobicContact CG-CD2 4.11Å; P77-L222 HydrophobicContact CG-CG 3.75Å; P77-Q497 PolarHBondContact O-OE1 3.29Å; P77-Q497 VanDerWaalsContact O-OE1 3.08Å
78K72.1Confident70.3Confident122 Ų12270 Ų7053%0.5334%0.344SS..  trans-73.511-178.9-62.8-166.4170.9-163.10116.6M76 F486 G495M76-K78 PolarHBondContact O-N 3.47Å; K78-F486 HydrophobicContact CB-CE2 3.82Å; K78-F486 HydrophobicContact CB-CZ 4.09Å; K78-F486 WeakPolarHBondContact O-CD2 3.48Å; K78-F486 VanDerWaalsContact O-CE2 3.28Å; K78-F486 WeakPolarHBondContact O-CE2 3.48Å; K78-G495 WeakPolarHBondContact CD-O 3.37Å; K78-G495 WeakPolarHBondContact CG-O 3.11Å
79G82.1Confident72.5Confident0 Ų062 Ų620%031%0.306CS..  trans153.5-177.7-168.800000113.8P77 R225 E266P77-G79 PolarHBondContact O-N 2.83Å; G79-R225 VanDerWaalsContact C-NH2 3.32Å; G79-R225 PolarHBondContact O-NH2 2.92Å; G79-E266 WeakPolarHBondContact CA-OE1 3.21Å
80I88.2Confident74.5Confident2 Ų254.5 Ų54.51%0.0127%0.267CS..SBendtrans-103.1-79-174-50.9176.6000111.8L221 V224 R225 L257 E266 V267 V270I80-L221 HydrophobicContact CD1-CD2 4.3Å; I80-L221 HydrophobicContact CG1-CB 4.26Å; I80-L221 HydrophobicContact CG1-CD1 4.11Å; I80-L221 HydrophobicContact CG1-CD2 4Å; I80-L221 HydrophobicContact CG1-CG 4.36Å; I80-V224 HydrophobicContact CG2-CB 4.18Å; I80-V224 HydrophobicContact CG2-CG1 3.7Å; I80-R225 PolarHBondContact O-NE 3.08Å; I80-R225 PolarHBondContact O-NH2 3.22Å; I80-L257 HydrophobicContact CD1-CD1 4.29Å; I80-E266 HydrophobicContact CD1-CG 4.39Å; I80-E266 HydrophobicContact CG1-CG 4.4Å; I80-E266 PolarHBondContact N-OE1 2.9Å; I80-V267 HydrophobicContact CD1-CG2 4.1Å; I80-V270 HydrophobicContact CB-CG2 4.18Å; I80-V270 HydrophobicContact CG2-CB 4.26Å; I80-V270 HydrophobicContact CG2-CG1 3.87Å; I80-V270 HydrophobicContact CG2-CG2 4.12Å
81L88.9Confident76.4Confident1 Ų154.3 Ų54.31%0.00525%0.253CS..SBendtrans-111.5132.3-174.5-171.664.4000112F228 V270 F273 F486 Y487L81-F228 HydrophobicContact CD1-CD1 3.64Å; L81-F228 HydrophobicContact CD1-CE1 3.9Å; L81-F228 HydrophobicContact CD1-CG 4.16Å; L81-F228 HydrophobicContact CD2-CD1 4.18Å; L81-F228 HydrophobicContact CD2-CD2 4.3Å; L81-F228 HydrophobicContact CD2-CE1 3.82Å; L81-F228 HydrophobicContact CD2-CE2 3.96Å; L81-F228 HydrophobicContact CD2-CG 4.43Å; L81-F228 HydrophobicContact CD2-CZ 3.71Å; L81-V270 HydrophobicContact CB-CG1 4.4Å; L81-V270 HydrophobicContact CB-CG2 3.83Å; L81-F273 HydrophobicContact CD2-CD2 4.24Å; L81-F486 CarbonylContact O-C 3.56Å; L81-F486 WeakPolarHBondContact O-CA 3.34Å; L81-F486 WeakPolarHBondContact O-CB 3.42Å; L81-Y487 HydrophobicContact CB-CD2 4.13Å; L81-Y487 HydrophobicContact CD2-CD2 3.95Å; L81-Y487 HydrophobicContact CD2-CE2 4.14Å; L81-Y487 HydrophobicContact CG-CD2 3.88Å; L81-Y487 HydrophobicContact CG-CE2 4.2Å; L81-Y487 PolarHBondContact O-N 2.93Å
82K88.2Confident78.3Confident62 Ų6253.9 Ų53.927%0.2724%0.244SC..BIsolated β-bridgetrans-86.1133.6-176.2-72.6-171.7159-61.10112.3W85 E485 F486K82-W85 HydrophobicContact CB-CB 4.17Å; K82-W85 PolarHBondContact O-N 3.41Å; K82-E485 WeakPolarHBondContact CA-O 3.17Å; K82-E485 VanDerWaalsContact NZ-CD 3.26Å; K82-E485 IonicContact NZ-OE1 2.68Å; K82-E485 PolarHBondContact NZ-OE1 2.71Å; K82-F486 HydrophobicContact CD-CE1 4.22Å; K82-F486 HydrophobicContact CG-CD1 3.71Å; K82-F486 HydrophobicContact CG-CE1 3.46Å; K82-F486 VanDerWaalsContact CG-CE1 3.46Å; K82-F486 HydrophobicContact CG-CZ 4.4Å; K82-F486 VanDerWaalsContact NZ-CZ 3.31Å
83T84Confident80.1Confident8 Ų851.3 Ų51.35%0.04923%0.234CC..THydrogen-bonded Turntrans-54.5-67-177.251.40000112.8W85 L484 E485 Y487T83-W85 PolarHBondContact O-N 3.01Å; T83-L484 HydrophobicContact CG2-CB 4.39Å; T83-L484 PolarHBondContact OG1-O 2.77Å; T83-E485 PolarHBondContact N-O 2.69Å; T83-Y487 HydrophobicContact CG2-CD1 4.07Å; T83-Y487 HydrophobicContact CG2-CD2 4.44Å; T83-Y487 HydrophobicContact CG2-CE1 4.22Å; T83-Y487 HydrophobicContact CG2-CG 4.2Å; T83-Y487 PolarHBondContact O-OH 3.36Å
84G82.7Confident82Confident13 Ų1344.8 Ų44.813%0.13420%0.204CC..THydrogen-bonded Turntrans-66.92.6-178.400000117.1K88G84-K88 VanDerWaalsContact O-CB 3.31Å; G84-K88 WeakPolarHBondContact O-CB 3.42Å; G84-K88 PolarHBondContact O-N 3.18Å
85W90.7Very high84.2Confident23 Ų2334.5 Ų34.59%0.08717%0.165CC..Hα-helixtrans-74.2-45.5-173.5-175.469.9000113.6K82 T83 H89 F228 K229 F232 Y233K82-W85 HydrophobicContact CB-CB 4.17Å; K82-W85 PolarHBondContact O-N 3.41Å; T83-W85 PolarHBondContact O-N 3.01Å; W85-H89 AromaticContact CD1-CD2 3.74Å; W85-H89 AromaticContact CD1-NE2 3.8Å; W85-H89 AromaticContact CE2-CD2 3.39Å; W85-H89 AromaticContact CE2-NE2 3.69Å; W85-H89 AromaticContact CZ2-CD2 3.66Å; W85-H89 AromaticContact CZ2-NE2 3.99Å; W85-H89 AromaticContact NE1-CD2 3.11Å; W85-H89 PolarHBondContact NE1-CD2 2.9Å; W85-H89 AromaticContact NE1-NE2 3.02Å; W85-H89 PolarHBondContact NE1-NE2 3.46Å; W85-H89 PolarHBondContact O-CD2 3.49Å; W85-H89 PolarHBondContact O-N 2.79Å; W85-F228 HydrophobicContact CZ3-CD1 4.43Å; W85-F228 HydrophobicContact CZ3-CE1 4.33Å; W85-K229 VanDerWaalsContact CD1-NZ 3.26Å; W85-K229 HydrophobicContact CD2-CD 4.26Å; W85-K229 HydrophobicContact CD2-CG 4.14Å; W85-K229 HydrophobicContact CE3-CG 4.04Å; W85-K229 HydrophobicContact CH2-CB 3.88Å; W85-K229 HydrophobicContact CH2-CD 4.31Å; W85-K229 HydrophobicContact CH2-CG 3.59Å; W85-K229 HydrophobicContact CZ2-CB 4.12Å; W85-K229 HydrophobicContact CZ2-CD 3.87Å; W85-K229 HydrophobicContact CZ2-CG 3.67Å; W85-K229 HydrophobicContact CZ3-CB 4.39Å; W85-K229 HydrophobicContact CZ3-CG 3.77Å; W85-F232 HydrophobicContact CH2-CB 4.16Å; W85-F232 AromaticContact CH2-CD1 3.73Å; W85-F232 HydrophobicContact CH2-CD1 3.73Å; W85-F232 HydrophobicContact CH2-CG 4.27Å; W85-F232 HydrophobicContact CZ3-CB 4.04Å; W85-F232 AromaticContact CZ3-CD1 3.65Å; W85-F232 HydrophobicContact CZ3-CD1 3.65Å; W85-F232 HydrophobicContact CZ3-CE1 4.3Å; W85-F232 AromaticContact CZ3-CG 3.96Å; W85-F232 HydrophobicContact CZ3-CG 3.96Å; W85-Y233 HydrophobicContact CH2-CE1 4.4Å; W85-Y233 HydrophobicContact CZ2-CE1 4.09Å; W85-Y233 HydrophobicContact CZ2-CE2 4.2Å; W85-Y233 AromaticContact CZ2-CZ 3.78Å
86M90.6Very high85.8Confident0 Ų031 Ų310%015%0.146CC..Hα-helixtrans-66.4-47.7-177.3-65.3-173.5-68.800110.8E10 L11 K88 H89 L90 F228 F232 Y487E10-M86 HydrophobicContact CB-CB 3.72Å; E10-M86 HydrophobicContact CB-CE 4.27Å; E10-M86 HydrophobicContact CG-CB 4.37Å; L11-M86 HydrophobicContact CB-CE 4.35Å; L11-M86 HydrophobicContact CD1-SD 4.21Å; M86-K88 PolarHBondContact O-N 3.14Å; M86-H89 PolarHBondContact O-N 2.99Å; M86-H89 VanDerWaalsContact O-N 3.1Å; M86-L90 WeakPolarHBondContact O-CG 3.5Å; M86-L90 PolarHBondContact O-N 2.86Å; M86-F228 HydrophobicContact CG-CE1 4.28Å; M86-F228 HydrophobicContact SD-CE1 3.84Å; M86-F228 HydrophobicContact SD-CZ 3.72Å; M86-F232 HydrophobicContact CB-CE1 4.43Å; M86-F232 HydrophobicContact CB-CE2 4.41Å; M86-F232 HydrophobicContact CB-CZ 3.95Å; M86-F232 HydrophobicContact CG-CE1 4.48Å; M86-F232 HydrophobicContact CG-CE2 4.14Å; M86-F232 HydrophobicContact CG-CZ 4.08Å; M86-F232 HydrophobicContact SD-CD2 4.38Å; M86-F232 HydrophobicContact SD-CE2 3.97Å; M86-F232 HydrophobicContact SD-CZ 4.45Å; M86-Y487 HydrophobicContact CE-CE2 3.89Å; M86-Y487 VanDerWaalsContact CE-OH 3.27Å; M86-Y487 WeakPolarHBondContact CE-OH 3.46Å
87K89.1Confident87.3Confident87 Ų8724.5 Ų24.538%0.37811%0.114SC..Hα-helixtrans-51.8-51.1176.7-168.5170.8-177.9164.30112.4E10 H89 L90 E91E10-K87 HydrophobicContact CG-CB 3.99Å; E10-K87 WeakPolarHBondContact OE1-CB 3.47Å; K87-H89 PolarHBondContact O-N 3.42Å; K87-H89 VanDerWaalsContact O-N 3.15Å; K87-L90 PolarHBondContact O-N 2.95Å; K87-E91 HydrophobicContact CG-CB 4.29Å; K87-E91 HydrophobicContact CG-CG 4.06Å; K87-E91 VanDerWaalsContact O-CB 3.3Å; K87-E91 WeakPolarHBondContact O-CB 3.48Å; K87-E91 PolarHBondContact O-N 3.46Å
88K89.2Confident88.7Confident28 Ų2823.9 Ų23.912%0.12211%0.11CC..Iπ-helixtrans-55.2-34.6179.9174.8167-104.769.10113.5G84 M86 E92 I93 E479G84-K88 VanDerWaalsContact O-CB 3.31Å; G84-K88 WeakPolarHBondContact O-CB 3.42Å; G84-K88 PolarHBondContact O-N 3.18Å; M86-K88 PolarHBondContact O-N 3.14Å; K88-E92 WeakPolarHBondContact CE-OE2 3.48Å; K88-E92 WeakPolarHBondContact CG-OE2 3.36Å; K88-E92 IonicContact NZ-OE1 2.76Å; K88-E92 IonicContact NZ-OE2 2.74Å; K88-E92 PolarHBondContact NZ-OE2 3.21Å; K88-E92 PolarHBondContact O-N 3.43Å; K88-I93 HydrophobicContact CD-CD1 4.02Å; K88-I93 HydrophobicContact CG-CD1 3.52Å; K88-I93 HydrophobicContact CG-CG1 3.94Å; K88-I93 PolarHBondContact O-N 2.98Å; K88-E479 IonicContact NZ-OE1 3.31Å; K88-E479 PolarHBondContact NZ-OE1 3.17Å; K88-E479 IonicContact NZ-OE2 3.17Å; K88-E479 PolarHBondContact NZ-OE2 3.48Å
89H90.4Very high89.8Confident16 Ų1618 Ų187%0.0749%0.085CC..Iπ-helixtrans-91.5-10.8177.2-71.2-80.1000114.9W85 M86 K87 Y233W85-H89 AromaticContact CD1-CD2 3.74Å; W85-H89 AromaticContact CD1-NE2 3.8Å; W85-H89 AromaticContact CE2-CD2 3.39Å; W85-H89 AromaticContact CE2-NE2 3.69Å; W85-H89 AromaticContact CZ2-CD2 3.66Å; W85-H89 AromaticContact CZ2-NE2 3.99Å; W85-H89 AromaticContact NE1-CD2 3.11Å; W85-H89 PolarHBondContact NE1-CD2 2.9Å; W85-H89 AromaticContact NE1-NE2 3.02Å; W85-H89 PolarHBondContact NE1-NE2 3.46Å; W85-H89 PolarHBondContact O-CD2 3.49Å; W85-H89 PolarHBondContact O-N 2.79Å; M86-H89 PolarHBondContact O-N 2.99Å; M86-H89 VanDerWaalsContact O-N 3.1Å; K87-H89 PolarHBondContact O-N 3.42Å; K87-H89 VanDerWaalsContact O-N 3.15Å; H89-Y233 PolarHBondContact CE1-OH 2.84Å; H89-Y233 AromaticContact ND1-CE1 3.87Å; H89-Y233 PolarHBondContact NE2-OH 3.01Å
90L89.7Confident90.4Very high8 Ų818.1 Ų18.14%0.0429%0.085CC..Iπ-helixtrans-96.8-22.8173.1-72.4170.9000114E10 P15 K51 M86 K87 F232 L236E10-L90 HydrophobicContact CB-CD1 3.65Å; E10-L90 HydrophobicContact CG-CD1 4.03Å; P15-L90 HydrophobicContact CB-CD2 4.06Å; K51-L90 WeakPolarHBondContact CD-O 3.36Å; K51-L90 WeakPolarHBondContact CE-O 3.41Å; K51-L90 PolarHBondContact NZ-O 3.41Å; M86-L90 WeakPolarHBondContact O-CG 3.5Å; M86-L90 PolarHBondContact O-N 2.86Å; K87-L90 PolarHBondContact O-N 2.95Å; L90-F232 HydrophobicContact CD1-CZ 3.95Å; L90-F232 HydrophobicContact CD2-CE1 4.5Å; L90-F232 HydrophobicContact CD2-CZ 4.06Å; L90-F232 HydrophobicContact CG-CE1 4.3Å; L90-F232 HydrophobicContact CG-CZ 3.88Å; L90-L236 HydrophobicContact CD2-CD2 4.18Å
91E89Confident90.7Very high71 Ų7118.7 Ų18.733%0.3329%0.088SC..Iπ-helixtrans-129.9-29.8-164.4-67.2-105.988.500114.6L18 K51 R53 K87L18-E91 WeakPolarHBondContact CD2-O 3.35Å; K51-E91 WeakPolarHBondContact CE-OE1 3.35Å; K51-E91 IonicContact NZ-OE1 3.97Å; K51-E91 PolarHBondContact NZ-OE1 3.15Å; R53-E91 IonicContact CZ-OE1 3.58Å; R53-E91 IonicContact NH2-OE1 3.32Å; R53-E91 PolarHBondContact NH2-OE1 3.06Å; K87-E91 HydrophobicContact CG-CB 4.29Å; K87-E91 HydrophobicContact CG-CG 4.06Å; K87-E91 VanDerWaalsContact O-CB 3.3Å; K87-E91 WeakPolarHBondContact O-CB 3.48Å; K87-E91 PolarHBondContact O-N 3.46Å
92E89Confident90.8Very high54 Ų5421.2 Ų21.225%0.25210%0.101SC..Iπ-helixtrans-117.3-37.6-167.3-54.5167.5-163.200114.4P62 K88 P94P62-E92 HydrophobicContact CG-CB 3.83Å; P62-E92 HydrophobicContact CG-CG 4.48Å; P62-E92 WeakPolarHBondContact CG-OE2 3.5Å; K88-E92 WeakPolarHBondContact CE-OE2 3.48Å; K88-E92 WeakPolarHBondContact CG-OE2 3.36Å; K88-E92 IonicContact NZ-OE1 2.76Å; K88-E92 IonicContact NZ-OE2 2.74Å; K88-E92 PolarHBondContact NZ-OE2 3.21Å; K88-E92 PolarHBondContact O-N 3.43Å; E92-P94 WeakPolarHBondContact O-CD 3.38Å
93I90.4Very high90.9Very high5 Ų518.3 Ų18.33%0.0269%0.089CC..SBendtrans-102.4105-177.9-57.6174.2000109.5K88 Y199K88-I93 HydrophobicContact CD-CD1 4.02Å; K88-I93 HydrophobicContact CG-CD1 3.52Å; K88-I93 HydrophobicContact CG-CG1 3.94Å; K88-I93 PolarHBondContact O-N 2.98Å; I93-Y199 VanDerWaalsContact CG2-OH 3.28Å; I93-Y199 WeakPolarHBondContact CG2-OH 3.31Å
94P93.1Very high91Very high1 Ų118.6 Ų18.61%0.0069%0.09CC..  trans-71.8154.9175.830.8-35.4000112.1L18 V20 F61 E92 V97 S133L18-P94 HydrophobicContact CG-CB 4.23Å; L18-P94 CarbonylContact O-C 3.59Å; L18-P94 VanDerWaalsContact O-CA 3.27Å; L18-P94 WeakPolarHBondContact O-CA 3.31Å; V20-P94 HydrophobicContact CB-CB 4.16Å; V20-P94 HydrophobicContact CB-CG 4.31Å; V20-P94 HydrophobicContact CG2-CB 3.92Å; V20-P94 HydrophobicContact CG2-CG 4.12Å; F61-P94 HydrophobicContact CD1-CG 4.22Å; F61-P94 HydrophobicContact CE1-CG 3.77Å; F61-P94 HydrophobicContact CZ-CG 4.46Å; E92-P94 WeakPolarHBondContact O-CD 3.38Å; P94-V97 HydrophobicContact CG-CG2 3.91Å; P94-S133 WeakPolarHBondContact O-CB 3.36Å; P94-S133 PolarHBondContact O-OG 3.49Å
95A92.9Very high91.1Very high0 Ų019.3 Ų19.30%09%0.088CC..SBendtrans-69.6-36.3169.800000111.9L18 S133 K134 A196 Y199 Y200L18-A95 PolarHBondContact O-N 3.4Å; A95-S133 WeakPolarHBondContact O-CA 3.39Å; A95-K134 PolarHBondContact O-N 2.79Å; A95-A196 HydrophobicContact CB-CB 4.04Å; A95-Y199 HydrophobicContact CB-CD1 3.65Å; A95-Y199 HydrophobicContact CB-CE1 4.29Å; A95-Y199 HydrophobicContact CB-CG 3.96Å; A95-Y199 WeakPolarHBondContact O-CD2 3.42Å; A95-Y200 HydrophobicContact CB-CE2 3.89Å
96F93.1Very high90.6Very high0 Ų022 Ų220%010%0.104CC..EExtended strand (participates in β ladder)trans-157.4163.1167.867.3-87.1000110.2I19 V20 A98 K134 V136 F192 M195 A196I19-F96 HydrophobicContact CD1-CE1 3.59Å; I19-F96 HydrophobicContact CD1-CZ 3.54Å; I19-F96 HydrophobicContact CG1-CD1 4.34Å; I19-F96 HydrophobicContact CG1-CE1 3.73Å; I19-F96 HydrophobicContact CG1-CZ 3.91Å; I19-F96 HydrophobicContact CG2-CD2 4.35Å; I19-F96 HydrophobicContact CG2-CE1 4.39Å; I19-F96 HydrophobicContact CG2-CE2 3.83Å; I19-F96 HydrophobicContact CG2-CZ 3.84Å; V20-F96 PolarHBondContact N-O 2.94Å; F96-A98 HydrophobicContact CE2-CB 4.29Å; F96-K134 CarbonylContact C-O 3.51Å; F96-K134 WeakPolarHBondContact CA-O 3.44Å; F96-K134 HydrophobicContact CB-CB 3.8Å; F96-K134 VanDerWaalsContact CB-O 3.25Å; F96-K134 WeakPolarHBondContact CB-O 3.17Å; F96-V136 HydrophobicContact CD2-CB 4.27Å; F96-V136 HydrophobicContact CD2-CG2 3.72Å; F96-V136 HydrophobicContact CE2-CG2 4.18Å; F96-V136 HydrophobicContact CG-CG2 4.46Å; F96-F192 HydrophobicContact CE1-CB 4.14Å; F96-F192 HydrophobicContact CE1-CG 4.45Å; F96-F192 AromaticContact CE2-CD1 3.95Å; F96-F192 HydrophobicContact CE2-CD1 3.95Å; F96-F192 HydrophobicContact CE2-CE1 4.15Å; F96-F192 HydrophobicContact CE2-CG 4.33Å; F96-F192 HydrophobicContact CZ-CB 3.7Å; F96-F192 AromaticContact CZ-CD1 3.52Å; F96-F192 HydrophobicContact CZ-CD1 3.52Å; F96-F192 HydrophobicContact CZ-CD2 4.18Å; F96-F192 HydrophobicContact CZ-CE1 4.16Å; F96-F192 AromaticContact CZ-CG 3.54Å; F96-F192 HydrophobicContact CZ-CG 3.54Å; F96-M195 HydrophobicContact CD1-CB 3.97Å; F96-M195 HydrophobicContact CE1-CB 3.98Å; F96-M195 HydrophobicContact CE2-CE 4.35Å; F96-M195 HydrophobicContact CZ-CE 4.31Å; F96-A196 HydrophobicContact CE1-CB 4.49Å
97V94.3Very high90.3Very high0 Ų023.8 Ų23.80%011%0.113CC..EExtended strand (participates in β ladder)trans-107.2131.5172.6-178.50000109.2V20 F61 P94 V124 L128 K134 L135 V136V20-V97 HydrophobicContact CB-CG2 4.27Å; V20-V97 HydrophobicContact CG1-CG1 4.33Å; V20-V97 CarbonylContact O-C 3.44Å; V20-V97 WeakPolarHBondContact O-CA 3.31Å; F61-V97 HydrophobicContact CE1-CG2 4.47Å; F61-V97 HydrophobicContact CE2-CG2 4.38Å; F61-V97 HydrophobicContact CZ-CG2 3.83Å; P94-V97 HydrophobicContact CG-CG2 3.91Å; V97-V124 HydrophobicContact CB-CG1 4.23Å; V97-V124 HydrophobicContact CG1-CG1 3.85Å; V97-L128 HydrophobicContact CB-CD1 4.24Å; V97-L128 HydrophobicContact CG2-CD1 3.8Å; V97-L128 HydrophobicContact CG2-CD2 3.99Å; V97-L128 HydrophobicContact CG2-CG 4.36Å; V97-K134 PolarHBondContact N-O 3.32Å; V97-L135 HydrophobicContact CB-CD1 4.13Å; V97-L135 HydrophobicContact CG1-CD1 4.27Å; V97-V136 PolarHBondContact O-N 2.92Å
98A94.5Very high90.1Very high0 Ų025.2 Ų25.20%013%0.131CC..EExtended strand (participates in β ladder)trans-102.6111.7171.200000109.5V20 F21 S22 F96 F100 V136 I138V20-A98 PolarHBondContact O-N 2.85Å; F21-A98 CarbonylContact C-O 3.58Å; F21-A98 WeakPolarHBondContact CA-O 3.42Å; F21-A98 HydrophobicContact CD1-CB 3.89Å; F21-A98 HydrophobicContact CE1-CB 4.16Å; S22-A98 PolarHBondContact N-O 3.35Å; F96-A98 HydrophobicContact CE2-CB 4.29Å; A98-F100 HydrophobicContact CB-CE2 4.01Å; A98-V136 WeakPolarHBondContact CA-O 3.39Å; A98-I138 HydrophobicContact CB-CD1 3.91Å
99L95.8Very high90Very high0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-89.2113.1172.417963.6000108.8V57 M120 V121 L135 V136 V137 I138V57-L99 HydrophobicContact CG2-CD1 4.23Å; L99-M120 HydrophobicContact CD2-CB 3.85Å; L99-V121 HydrophobicContact CD2-CB 4.49Å; L99-V121 HydrophobicContact CD2-CG2 3.66Å; L99-L135 HydrophobicContact CB-CD1 4.31Å; L99-V136 PolarHBondContact N-O 2.83Å; L99-V137 HydrophobicContact CB-CG2 4.42Å; L99-V137 HydrophobicContact CD2-CG2 4.46Å; L99-V137 WeakPolarHBondContact O-CA 3.21Å; L99-I138 PolarHBondContact O-N 3.36Å
100F94.6Very high89.8Confident1 Ų129.5 Ų29.50%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-86.5141.3171.2-68.6-100.5000109.7F21 S22 L24 I35 F39 A98 I138 I140 L175F21-F100 HydrophobicContact CB-CD2 4.31Å; F21-F100 HydrophobicContact CB-CE2 3.98Å; F21-F100 AromaticContact CD1-CE2 3.76Å; F21-F100 HydrophobicContact CD1-CE2 3.76Å; F21-F100 HydrophobicContact CD1-CZ 4.47Å; F21-F100 AromaticContact CD2-CE2 3.65Å; F21-F100 HydrophobicContact CD2-CE2 3.65Å; F21-F100 HydrophobicContact CD2-CZ 4.09Å; F21-F100 HydrophobicContact CE1-CE2 4.05Å; F21-F100 HydrophobicContact CE1-CZ 4.33Å; F21-F100 AromaticContact CE2-CE2 3.98Å; F21-F100 HydrophobicContact CE2-CE2 3.98Å; F21-F100 AromaticContact CE2-CZ 3.96Å; F21-F100 HydrophobicContact CE2-CZ 3.96Å; F21-F100 HydrophobicContact CG-CD2 4.34Å; F21-F100 AromaticContact CG-CE2 3.54Å; F21-F100 HydrophobicContact CG-CE2 3.54Å; F21-F100 HydrophobicContact CG-CZ 4.35Å; F21-F100 HydrophobicContact CZ-CE2 4.16Å; F21-F100 HydrophobicContact CZ-CZ 4.08Å; S22-F100 PolarHBondContact O-N 3.18Å; L24-F100 HydrophobicContact CD1-CD1 4.47Å; L24-F100 HydrophobicContact CD1-CD2 3.79Å; L24-F100 HydrophobicContact CD1-CE2 3.93Å; L24-F100 HydrophobicContact CD1-CG 4.08Å; L24-F100 HydrophobicContact CD1-CZ 4.3Å; L24-F100 HydrophobicContact CD2-CB 3.65Å; L24-F100 HydrophobicContact CD2-CD1 3.92Å; L24-F100 HydrophobicContact CD2-CD2 4.21Å; L24-F100 HydrophobicContact CD2-CG 3.66Å; L24-F100 HydrophobicContact CG-CB 3.81Å; L24-F100 HydrophobicContact CG-CD1 4.33Å; L24-F100 HydrophobicContact CG-CD2 3.72Å; L24-F100 HydrophobicContact CG-CE2 4.37Å; L24-F100 HydrophobicContact CG-CG 3.69Å; I35-F100 HydrophobicContact CG2-CE1 3.98Å; F39-F100 HydrophobicContact CE2-CE1 4.13Å; F39-F100 AromaticContact CE2-CZ 3.81Å; F39-F100 HydrophobicContact CE2-CZ 3.81Å; F39-F100 HydrophobicContact CZ-CZ 4.31Å; A98-F100 HydrophobicContact CB-CE2 4.01Å; F100-I138 WeakPolarHBondContact CA-O 3.46Å; F100-I138 HydrophobicContact CD1-CB 3.92Å; F100-I138 HydrophobicContact CD1-CG2 3.91Å; F100-I138 HydrophobicContact CE1-CB 4.04Å; F100-I138 HydrophobicContact CE1-CD1 3.96Å; F100-I138 HydrophobicContact CE1-CG2 3.8Å; F100-I138 HydrophobicContact CE2-CD1 4.17Å; F100-I138 HydrophobicContact CG-CB 4.37Å; F100-I138 HydrophobicContact CZ-CD1 3.73Å; F100-I140 HydrophobicContact CB-CD1 3.95Å; F100-I140 HydrophobicContact CB-CG1 4.47Å; F100-I140 HydrophobicContact CD1-CD1 3.93Å; F100-I140 HydrophobicContact CD1-CG1 4.02Å; F100-I140 HydrophobicContact CG-CD1 4.39Å; F100-L175 HydrophobicContact CE1-CD2 4.01Å
101Y93.7Very high89.6Confident15 Ų1531.2 Ų31.26%0.05917%0.17CC..EExtended strand (participates in β ladder)trans-150.4131.7178.8-174.1-101.4000110L103 K113 E116 C117 M120 I138 L139 I140Y101-L103 HydrophobicContact CD1-CB 3.78Å; Y101-L103 HydrophobicContact CD1-CD2 4.2Å; Y101-L103 HydrophobicContact CE1-CB 3.95Å; Y101-L103 HydrophobicContact CE1-CD2 4.09Å; Y101-L103 HydrophobicContact CE1-CG 4.44Å; Y101-L103 PolarHBondContact O-N 3.32Å; Y101-K113 WeakPolarHBondContact OH-CD 3.46Å; Y101-K113 PolarHBondContact OH-O 2.72Å; Y101-K113 VanDerWaalsContact OH-O 3.09Å; Y101-E116 HydrophobicContact CE2-CG 4.12Å; Y101-E116 PolarHBondContact OH-OE2 2.84Å; Y101-C117 HydrophobicContact CD1-CB 3.86Å; Y101-C117 HydrophobicContact CD2-CB 4.48Å; Y101-C117 HydrophobicContact CE1-CB 3.78Å; Y101-C117 HydrophobicContact CE2-CB 4.41Å; Y101-C117 HydrophobicContact CG-CB 4.23Å; Y101-M120 HydrophobicContact CD2-SD 3.89Å; Y101-M120 HydrophobicContact CE2-CE 4.19Å; Y101-M120 HydrophobicContact CE2-SD 4.07Å; Y101-I138 PolarHBondContact N-O 2.99Å; Y101-I138 VanDerWaalsContact N-O 3.11Å; Y101-L139 WeakPolarHBondContact O-CA 3.35Å; Y101-I140 PolarHBondContact O-N 2.84Å
102D91.3Very high89.6Confident54 Ų5433.9 Ų33.929%0.28918%0.182SC..EExtended strand (participates in β ladder)trans-74.7109.5179-70.9-45.2000110N29 H32 I140N29-D102 PolarHBondContact ND2-OD2 3.49Å; H32-D102 IonicContact CD2-OD1 3Å; H32-D102 IonicContact CE1-OD2 3.76Å; H32-D102 PolarHBondContact CE1-OD2 3.44Å; H32-D102 IonicContact NE2-OD1 2.68Å; H32-D102 PolarHBondContact NE2-OD1 3.09Å; H32-D102 IonicContact NE2-OD2 2.65Å; H32-D102 PolarHBondContact NE2-OD2 3.02Å; D102-I140 WeakPolarHBondContact OD1-CB 3.35Å; D102-I140 WeakPolarHBondContact OD1-CG2 3.34Å
103L89.7Confident89.6Confident1 Ų134.5 Ų34.51%0.00518%0.184CC..  trans-158.2104.6-178.1-175.157.3000112.6Y101 E107 W110 K113 L139 I140 Q141 L161Y101-L103 HydrophobicContact CD1-CB 3.78Å; Y101-L103 HydrophobicContact CD1-CD2 4.2Å; Y101-L103 HydrophobicContact CE1-CB 3.95Å; Y101-L103 HydrophobicContact CE1-CD2 4.09Å; Y101-L103 HydrophobicContact CE1-CG 4.44Å; Y101-L103 PolarHBondContact O-N 3.32Å; L103-E107 HydrophobicContact CD1-CB 3.91Å; L103-E107 HydrophobicContact CD1-CG 3.9Å; L103-W110 HydrophobicContact CD1-CE3 4.02Å; L103-W110 HydrophobicContact CD1-CZ3 3.91Å; L103-W110 HydrophobicContact CD2-CE3 4.34Å; L103-W110 HydrophobicContact CD2-CH2 3.9Å; L103-W110 HydrophobicContact CD2-CZ3 3.55Å; L103-W110 HydrophobicContact CG-CE3 4.36Å; L103-W110 HydrophobicContact CG-CZ3 3.74Å; L103-K113 HydrophobicContact CD1-CB 3.99Å; L103-L139 HydrophobicContact CB-CD2 4.25Å; L103-L139 HydrophobicContact CD2-CD1 4.41Å; L103-L139 HydrophobicContact CD2-CD2 4.28Å; L103-I140 PolarHBondContact N-O 2.94Å; L103-Q141 WeakPolarHBondContact O-CG 3.49Å; L103-Q141 PolarHBondContact O-NE2 2.89Å; L103-L161 HydrophobicContact CD2-CD2 4.16Å
104D86.9Confident89.6Confident13 Ų1334.3 Ų34.37%0.0718%0.183CC..  trans-80149.5174-66-69.9000111.4D106 E107 Q141 K142D104-D106 VanDerWaalsContact C-N 3.25Å; D104-D106 PolarHBondContact O-N 2.92Å; D104-E107 VanDerWaalsContact O-CB 3.28Å; D104-E107 WeakPolarHBondContact O-CB 3.22Å; D104-E107 PolarHBondContact O-N 3.2Å; D104-Q141 VanDerWaalsContact OD1-CA 3.26Å; D104-Q141 WeakPolarHBondContact OD1-CA 3.28Å; D104-Q141 WeakPolarHBondContact OD1-CB 3.33Å; D104-K142 PolarHBondContact OD1-N 2.84Å; D104-K142 WeakPolarHBondContact OD2-CG 3.46Å; D104-K142 IonicContact OD2-NZ 2.83Å; D104-K142 PolarHBondContact OD2-NZ 3.31Å
105W85.3Confident89.5Confident28 Ų2837.3 Ų37.311%0.10620%0.202CC..THydrogen-bonded Turntrans-68.3-21.3-176.8-68.9128000113.9W110 L139 A154 R157 A158 L172 V174W105-W110 HydrophobicContact CE3-CH2 4.14Å; W105-W110 HydrophobicContact CE3-CZ3 4.06Å; W105-W110 AromaticContact CZ3-CH2 3.77Å; W105-W110 HydrophobicContact CZ3-CH2 3.77Å; W105-W110 HydrophobicContact CZ3-CZ3 4.13Å; W105-L139 HydrophobicContact CH2-CD1 3.6Å; W105-L139 HydrophobicContact CZ2-CD1 3.98Å; W105-L139 HydrophobicContact CZ3-CD1 4.02Å; W105-A154 HydrophobicContact CB-CB 4.2Å; W105-A154 HydrophobicContact CD2-CB 3.81Å; W105-A154 HydrophobicContact CG-CB 3.62Å; W105-R157 HydrophobicContact CE3-CB 3.68Å; W105-R157 HydrophobicContact CZ3-CB 3.79Å; W105-R157 WeakPolarHBondContact O-CD 3.3Å; W105-R157 VanDerWaalsContact O-CZ 3.26Å; W105-R157 PolarHBondContact O-NE 3.39Å; W105-R157 PolarHBondContact O-NH1 3.15Å; W105-A158 HydrophobicContact CH2-CB 3.59Å; W105-A158 HydrophobicContact CZ2-CB 4.23Å; W105-A158 HydrophobicContact CZ3-CB 4.16Å; W105-L172 HydrophobicContact CH2-CD2 4.4Å; W105-V174 HydrophobicContact CZ2-CG2 3.71Å
106D80.4Confident89.5Confident79 Ų7940.5 Ų40.542%0.42222%0.216SC..THydrogen-bonded Turntrans-92.26.217667.7-51.3000114.4D104 R143D104-D106 VanDerWaalsContact C-N 3.25Å; D104-D106 PolarHBondContact O-N 2.92Å; D106-R143 VanDerWaalsContact CG-NH1 3.27Å; D106-R143 IonicContact OD1-CZ 3.44Å; D106-R143 IonicContact OD1-NH1 3.68Å; D106-R143 PolarHBondContact OD1-NH1 2.67Å; D106-R143 IonicContact OD1-NH2 3.14Å; D106-R143 IonicContact OD2-CZ 3.23Å; D106-R143 IonicContact OD2-NH1 2.65Å; D106-R143 PolarHBondContact OD2-NH1 2.99Å; D106-R143 IonicContact OD2-NH2 2.79Å; D106-R143 PolarHBondContact OD2-NH2 3.3Å
107E84.4Confident89.5Confident39 Ų3940.5 Ų40.518%0.18222%0.216CC..  trans-49.7122.8-177.7-175.362.8-128.300112.1L103 D104 W110 K113 R157L103-E107 HydrophobicContact CD1-CB 3.91Å; L103-E107 HydrophobicContact CD1-CG 3.9Å; D104-E107 VanDerWaalsContact O-CB 3.28Å; D104-E107 WeakPolarHBondContact O-CB 3.22Å; D104-E107 PolarHBondContact O-N 3.2Å; E107-W110 PolarHBondContact O-N 2.92Å; E107-K113 HydrophobicContact CG-CG 4.28Å; E107-R157 PolarHBondContact O-NH1 3.42Å; E107-R157 PolarHBondContact O-NH2 2.98Å
108P84.5Confident89.4Confident117 Ų11741.3 Ų41.376%0.7622%0.223SC*.THydrogen-bonded Turntrans-71.1-35.6-178.526.4-34.8000112.2W110P108-W110 PolarHBondContact O-N 3.38Å; P108-W110 VanDerWaalsContact O-N 3.12Å
109Q86.2Confident89.4Confident108 Ų10847.6 Ų47.651%0.50525%0.252SS..THydrogen-bonded Turntrans-84.632.2176.8-67.2-176.4-42.900112.6G111 E112 K113Q109-G111 PolarHBondContact O-N 3.01Å; Q109-G111 VanDerWaalsContact O-N 3.11Å; Q109-E112 PolarHBondContact O-N 3.22Å; Q109-K113 HydrophobicContact CB-CG 4.38Å; Q109-K113 PolarHBondContact O-N 2.83Å
110W86.2Confident89.2Confident26 Ų2649.9 Ų49.910%0.09826%0.264CS..Hα-helixtrans-49.2-41.4-176.5177.8-102.5000113.5L103 W105 E107 P108 S114 R157 L161L103-W110 HydrophobicContact CD1-CE3 4.02Å; L103-W110 HydrophobicContact CD1-CZ3 3.91Å; L103-W110 HydrophobicContact CD2-CE3 4.34Å; L103-W110 HydrophobicContact CD2-CH2 3.9Å; L103-W110 HydrophobicContact CD2-CZ3 3.55Å; L103-W110 HydrophobicContact CG-CE3 4.36Å; L103-W110 HydrophobicContact CG-CZ3 3.74Å; W105-W110 HydrophobicContact CE3-CH2 4.14Å; W105-W110 HydrophobicContact CE3-CZ3 4.06Å; W105-W110 AromaticContact CZ3-CH2 3.77Å; W105-W110 HydrophobicContact CZ3-CH2 3.77Å; W105-W110 HydrophobicContact CZ3-CZ3 4.13Å; E107-W110 PolarHBondContact O-N 2.92Å; P108-W110 PolarHBondContact O-N 3.38Å; P108-W110 VanDerWaalsContact O-N 3.12Å; W110-S114 WeakPolarHBondContact O-CB 3.48Å; W110-S114 PolarHBondContact O-N 3.16Å; W110-R157 HydrophobicContact CD2-CB 4.41Å; W110-R157 HydrophobicContact CD2-CG 4.03Å; W110-R157 HydrophobicContact CE3-CB 4.47Å; W110-R157 HydrophobicContact CE3-CG 4.35Å; W110-R157 HydrophobicContact CH2-CB 3.72Å; W110-R157 HydrophobicContact CH2-CG 4.39Å; W110-R157 HydrophobicContact CZ2-CB 3.6Å; W110-R157 HydrophobicContact CZ2-CG 4.05Å; W110-R157 WeakPolarHBondContact CZ2-O 3.3Å; W110-R157 HydrophobicContact CZ3-CB 4.12Å; W110-R157 HydrophobicContact CZ3-CG 4.49Å; W110-L161 HydrophobicContact CH2-CB 4.08Å; W110-L161 HydrophobicContact CH2-CD2 4.37Å; W110-L161 HydrophobicContact CZ2-CB 3.99Å
111G85.5Confident89.1Confident43 Ų4349.9 Ų49.944%0.44326%0.264SS..Hα-helixtrans-55.6-56.8179.600000112.6Q109 T115Q109-G111 PolarHBondContact O-N 3.01Å; Q109-G111 VanDerWaalsContact O-N 3.11Å; G111-T115 PolarHBondContact O-N 3.38Å; G111-T115 PolarHBondContact O-OG1 2.85Å
112E90Very high89.1Confident128 Ų12851.7 Ų51.760%0.59828%0.282SS*.Hα-helixtrans-68.3-49.3-177.5-65.4174.8-169.100111.8Q109 S114 T115 E116Q109-E112 PolarHBondContact O-N 3.22Å; E112-S114 VanDerWaalsContact C-N 3.32Å; E112-S114 PolarHBondContact O-N 2.89Å; E112-T115 WeakPolarHBondContact CA-OG1 3.39Å; E112-T115 CarbonylContact O-C 3.57Å; E112-T115 WeakPolarHBondContact O-CA 3.31Å; E112-T115 PolarHBondContact O-N 3.36Å; E112-T115 PolarHBondContact O-OG1 3.06Å; E112-E116 PolarHBondContact O-N 3.36Å
113K89.4Confident89.2Confident67 Ų6751.8 Ų51.829%0.29128%0.284SS..Hα-helixtrans-62.5-38.5-179.5-72.7-71.7167.2-166.30112.7Y101 L103 E107 Q109 T115 E116 C117Y101-K113 WeakPolarHBondContact OH-CD 3.46Å; Y101-K113 PolarHBondContact OH-O 2.72Å; Y101-K113 VanDerWaalsContact OH-O 3.09Å; L103-K113 HydrophobicContact CD1-CB 3.99Å; E107-K113 HydrophobicContact CG-CG 4.28Å; Q109-K113 HydrophobicContact CB-CG 4.38Å; Q109-K113 PolarHBondContact O-N 2.83Å; K113-T115 VanDerWaalsContact C-N 3.33Å; K113-T115 PolarHBondContact O-N 2.87Å; K113-E116 WeakPolarHBondContact CD-OE2 3.35Å; K113-E116 IonicContact NZ-OE2 3.66Å; K113-E116 PolarHBondContact NZ-OE2 3.41Å; K113-E116 PolarHBondContact O-N 3.28Å; K113-C117 WeakPolarHBondContact O-CB 3.35Å; K113-C117 PolarHBondContact O-N 3.17Å
114S90.3Very high89.3Confident0 Ų051.8 Ų51.80%028%0.284CS..Hα-helixtrans-65-33.9172.71790000112.5W110 E112 A118 L161 K164W110-S114 WeakPolarHBondContact O-CB 3.48Å; W110-S114 PolarHBondContact O-N 3.16Å; E112-S114 VanDerWaalsContact C-N 3.32Å; E112-S114 PolarHBondContact O-N 2.89Å; S114-A118 PolarHBondContact O-N 3.22Å; S114-A118 VanDerWaalsContact O-N 3.15Å; S114-L161 WeakPolarHBondContact OG-CD1 3.43Å; S114-K164 WeakPolarHBondContact OG-CD 3.4Å; S114-K164 PolarHBondContact OG-NZ 2.89Å; S114-K164 VanDerWaalsContact OG-NZ 3.09Å
115T91.3Very high89.5Confident65 Ų6555.4 Ų55.440%0.39930%0.297SS..Hα-helixtrans-75.8-35.1172.948.70000113.9G111 E112 K113 A118 Q119G111-T115 PolarHBondContact O-N 3.38Å; G111-T115 PolarHBondContact O-OG1 2.85Å; E112-T115 WeakPolarHBondContact CA-OG1 3.39Å; E112-T115 CarbonylContact O-C 3.57Å; E112-T115 WeakPolarHBondContact O-CA 3.31Å; E112-T115 PolarHBondContact O-N 3.36Å; E112-T115 PolarHBondContact O-OG1 3.06Å; K113-T115 VanDerWaalsContact C-N 3.33Å; K113-T115 PolarHBondContact O-N 2.87Å; T115-A118 PolarHBondContact O-N 2.67Å; T115-Q119 WeakPolarHBondContact O-CG 3.47Å; T115-Q119 PolarHBondContact O-N 3.36Å
116E92.5Very high89.8Confident67 Ų6758.1 Ų58.131%0.31332%0.32SS..Hα-helixtrans-60-47.9171.8-179.4-173.3-17100110.3Y101 E112 K113 A118 Q119 M120Y101-E116 HydrophobicContact CE2-CG 4.12Å; Y101-E116 PolarHBondContact OH-OE2 2.84Å; E112-E116 PolarHBondContact O-N 3.36Å; K113-E116 WeakPolarHBondContact CD-OE2 3.35Å; K113-E116 IonicContact NZ-OE2 3.66Å; K113-E116 PolarHBondContact NZ-OE2 3.41Å; K113-E116 PolarHBondContact O-N 3.28Å; E116-A118 VanDerWaalsContact C-N 3.34Å; E116-A118 PolarHBondContact O-N 3.08Å; E116-Q119 PolarHBondContact O-N 3Å; E116-M120 HydrophobicContact CG-CE 3.94Å; E116-M120 WeakPolarHBondContact O-CG 3.47Å; E116-M120 PolarHBondContact O-N 3.22Å; E116-M120 WeakPolarHBondContact OE1-CE 3.48Å
117C92.6Very high90.2Very high0 Ų057.6 Ų57.60%031%0.314CS..Hα-helixtrans-56.8-46.2174.7-167.60000111.8Y101 K113 Q119 M120 V121 L161Y101-C117 HydrophobicContact CD1-CB 3.86Å; Y101-C117 HydrophobicContact CD2-CB 4.48Å; Y101-C117 HydrophobicContact CE1-CB 3.78Å; Y101-C117 HydrophobicContact CE2-CB 4.41Å; Y101-C117 HydrophobicContact CG-CB 4.23Å; K113-C117 WeakPolarHBondContact O-CB 3.35Å; K113-C117 PolarHBondContact O-N 3.17Å; C117-Q119 VanDerWaalsContact C-N 3.35Å; C117-Q119 PolarHBondContact O-N 2.96Å; C117-M120 PolarHBondContact O-N 3.36Å; C117-V121 WeakPolarHBondContact O-CG2 3.43Å; C117-V121 PolarHBondContact O-N 3.05Å; C117-L161 HydrophobicContact CB-CD1 4.23Å
118A93.1Very high90.4Very high17 Ų1756.2 Ų56.214%0.1431%0.308CS..Hα-helixtrans-62.3-37.2177.200000113.2S114 T115 E116 V121 A122 K164S114-A118 PolarHBondContact O-N 3.22Å; S114-A118 VanDerWaalsContact O-N 3.15Å; T115-A118 PolarHBondContact O-N 2.67Å; E116-A118 VanDerWaalsContact C-N 3.34Å; E116-A118 PolarHBondContact O-N 3.08Å; A118-V121 PolarHBondContact O-N 3.4Å; A118-A122 WeakPolarHBondContact O-CB 3.43Å; A118-A122 PolarHBondContact O-N 3.31Å; A118-K164 HydrophobicContact CB-CB 4.44Å
119Q93.1Very high90.4Very high131 Ų13153.8 Ų53.861%0.61230%0.298SS*.Hα-helixtrans-67.1-39.2174.4-71.2172.410.800112.3T115 E116 C117 A122 T123T115-Q119 WeakPolarHBondContact O-CG 3.47Å; T115-Q119 PolarHBondContact O-N 3.36Å; E116-Q119 PolarHBondContact O-N 3Å; C117-Q119 VanDerWaalsContact C-N 3.35Å; C117-Q119 PolarHBondContact O-N 2.96Å; Q119-A122 PolarHBondContact O-N 2.99Å; Q119-T123 WeakPolarHBondContact O-CB 3.47Å; Q119-T123 PolarHBondContact O-N 3.37Å; Q119-T123 PolarHBondContact O-OG1 2.91Å
120M93.1Very high90.2Very high49 Ų4951.6 Ų51.624%0.24130%0.304CS..Hα-helixtrans-64.7-44.2172.7-66.4-173.6-175.700111.4V57 L99 Y101 E116 C117 A122 T123 V124V57-M120 HydrophobicContact CG1-CB 4.03Å; V57-M120 HydrophobicContact CG1-CG 4.32Å; L99-M120 HydrophobicContact CD2-CB 3.85Å; Y101-M120 HydrophobicContact CD2-SD 3.89Å; Y101-M120 HydrophobicContact CE2-CE 4.19Å; Y101-M120 HydrophobicContact CE2-SD 4.07Å; E116-M120 HydrophobicContact CG-CE 3.94Å; E116-M120 WeakPolarHBondContact O-CG 3.47Å; E116-M120 PolarHBondContact O-N 3.22Å; E116-M120 WeakPolarHBondContact OE1-CE 3.48Å; C117-M120 PolarHBondContact O-N 3.36Å; M120-A122 PolarHBondContact O-N 3.2Å; M120-T123 WeakPolarHBondContact O-CB 3.44Å; M120-T123 PolarHBondContact O-N 3.06Å; M120-V124 WeakPolarHBondContact O-CG2 3.41Å; M120-V124 PolarHBondContact O-N 3.18Å
121V92.7Very high90.1Very high1 Ų153.2 Ų53.21%0.00631%0.31CS..Hα-helixtrans-57.8-47.9174.2167.70000111.3L99 C117 A118 T123 V124 R125 L135 V137 C165 L167L99-V121 HydrophobicContact CD2-CB 4.49Å; L99-V121 HydrophobicContact CD2-CG2 3.66Å; C117-V121 WeakPolarHBondContact O-CG2 3.43Å; C117-V121 PolarHBondContact O-N 3.05Å; A118-V121 PolarHBondContact O-N 3.4Å; V121-T123 VanDerWaalsContact C-N 3.31Å; V121-T123 PolarHBondContact O-N 3.23Å; V121-V124 PolarHBondContact O-N 3.39Å; V121-R125 WeakPolarHBondContact O-CB 3.45Å; V121-R125 PolarHBondContact O-N 3Å; V121-L135 HydrophobicContact CB-CD2 4.47Å; V121-L135 HydrophobicContact CG1-CD2 3.83Å; V121-L135 WeakPolarHBondContact O-CD2 3.42Å; V121-V137 HydrophobicContact CG2-CG2 3.56Å; V121-C165 HydrophobicContact CB-CB 4.48Å; V121-C165 HydrophobicContact CG1-CB 4.21Å; V121-C165 WeakPolarHBondContact CG1-O 3.48Å; V121-C165 HydrophobicContact CG2-CB 4.26Å; V121-L167 HydrophobicContact CG1-CD1 4.18Å; V121-L167 HydrophobicContact CG1-CD2 4.5Å; V121-L167 HydrophobicContact CG1-CG 4.33Å; V121-L167 HydrophobicContact CG2-CD1 4.18Å
122A92.6Very high90.1Very high53 Ų5355.8 Ų55.844%0.43831%0.311SS..Hα-helixtrans-62-38.2177.200000112.2A118 Q119 M120 S126A118-A122 WeakPolarHBondContact O-CB 3.43Å; A118-A122 PolarHBondContact O-N 3.31Å; Q119-A122 PolarHBondContact O-N 2.99Å; M120-A122 PolarHBondContact O-N 3.2Å; A122-S126 VanDerWaalsContact O-CB 3.31Å; A122-S126 WeakPolarHBondContact O-CB 3.49Å; A122-S126 PolarHBondContact O-N 3.19Å
123T93.8Very high90.1Very high55 Ų5550.2 Ų50.234%0.33729%0.285SS..Hα-helixtrans-63-54.4176.2-600000111.2V57 Q119 M120 V121 R125 S126 K127V57-T123 HydrophobicContact CG1-CG2 4.19Å; Q119-T123 WeakPolarHBondContact O-CB 3.47Å; Q119-T123 PolarHBondContact O-N 3.37Å; Q119-T123 PolarHBondContact O-OG1 2.91Å; M120-T123 WeakPolarHBondContact O-CB 3.44Å; M120-T123 PolarHBondContact O-N 3.06Å; V121-T123 VanDerWaalsContact C-N 3.31Å; V121-T123 PolarHBondContact O-N 3.23Å; T123-R125 VanDerWaalsContact C-N 3.32Å; T123-R125 PolarHBondContact O-N 3.1Å; T123-S126 WeakPolarHBondContact O-CB 3.4Å; T123-S126 PolarHBondContact O-N 3.11Å; T123-S126 VanDerWaalsContact O-N 3.15Å; T123-K127 WeakPolarHBondContact O-CG 3.42Å; T123-K127 PolarHBondContact O-N 3.1Å
124V91.8Very high90Very high1 Ų150.7 Ų50.71%0.00629%0.288CS..Hα-helixtrans-59.6-43.8178.7178.40000110.9V57 V97 M120 V121 S126 K127 L128 L135V57-V124 HydrophobicContact CB-CG2 4.45Å; V57-V124 HydrophobicContact CG1-CG2 3.68Å; V97-V124 HydrophobicContact CB-CG1 4.23Å; V97-V124 HydrophobicContact CG1-CG1 3.85Å; M120-V124 WeakPolarHBondContact O-CG2 3.41Å; M120-V124 PolarHBondContact O-N 3.18Å; V121-V124 PolarHBondContact O-N 3.39Å; V124-S126 VanDerWaalsContact C-N 3.31Å; V124-S126 PolarHBondContact O-N 3.33Å; V124-K127 PolarHBondContact O-N 3.17Å; V124-K127 VanDerWaalsContact O-N 3.16Å; V124-L128 HydrophobicContact CG1-CD1 3.87Å; V124-L128 HydrophobicContact CG1-CG 4.35Å; V124-L128 WeakPolarHBondContact O-CB 3.02Å; V124-L128 WeakPolarHBondContact O-CG 3.41Å; V124-L128 PolarHBondContact O-N 3.41Å; V124-L135 HydrophobicContact CB-CD1 4.25Å; V124-L135 HydrophobicContact CB-CD2 4.14Å; V124-L135 HydrophobicContact CG1-CD1 3.7Å; V124-L135 HydrophobicContact CG1-CD2 4.21Å
125R91.8Very high90.1Very high90 Ų9051.4 Ų51.434%0.3429%0.291SS..Hα-helixtrans-58.3-41.3176.5-173.9-170.6-60.9-135.8-2.7112.3V121 T123 L128 A129 L135 C165 D166V121-R125 WeakPolarHBondContact O-CB 3.45Å; V121-R125 PolarHBondContact O-N 3Å; T123-R125 VanDerWaalsContact C-N 3.32Å; T123-R125 PolarHBondContact O-N 3.1Å; R125-L128 CarbonylContact O-C 3.56Å; R125-L128 PolarHBondContact O-N 2.86Å; R125-A129 PolarHBondContact O-N 2.86Å; R125-L135 HydrophobicContact CB-CD2 4.14Å; R125-C165 PolarHBondContact NH2-O 3.14Å; R125-D166 IonicContact CZ-OD2 3.41Å; R125-D166 IonicContact NH1-OD2 2.79Å; R125-D166 PolarHBondContact NH1-OD2 3.37Å; R125-D166 PolarHBondContact NH2-O 3.11Å; R125-D166 IonicContact NH2-OD2 2.68Å
126S90.9Very high90.2Very high84 Ų8448.3 Ų48.359%0.58727%0.272SS*.Hα-helixtrans-65.2-41.7174.9-177.30000112.1A122 T123 V124 L128 A129A122-S126 VanDerWaalsContact O-CB 3.31Å; A122-S126 WeakPolarHBondContact O-CB 3.49Å; A122-S126 PolarHBondContact O-N 3.19Å; T123-S126 WeakPolarHBondContact O-CB 3.4Å; T123-S126 PolarHBondContact O-N 3.11Å; T123-S126 VanDerWaalsContact O-N 3.15Å; V124-S126 VanDerWaalsContact C-N 3.31Å; V124-S126 PolarHBondContact O-N 3.33Å; S126-L128 VanDerWaalsContact C-N 3.28Å; S126-L128 PolarHBondContact O-N 3.35Å; S126-A129 WeakPolarHBondContact O-CB 3Å; S126-A129 PolarHBondContact O-N 3.33Å; S126-A129 VanDerWaalsContact O-N 3.17Å
127K89.6Confident90.3Very high69 Ų6945.1 Ų45.130%0.326%0.258SS..Hα-helixtrans-67.8-25.9174.5-56.3-64.4172.81400113.3D58 H59 Q60 F61 T123 V124D58-K127 VanDerWaalsContact O-CD 3.3Å; D58-K127 WeakPolarHBondContact O-CD 3.5Å; D58-K127 WeakPolarHBondContact O-CE 3.5Å; D58-K127 PolarHBondContact O-NZ 3.27Å; H59-K127 WeakPolarHBondContact O-CB 3.24Å; Q60-K127 HydrophobicContact CG-CD 4.46Å; F61-K127 HydrophobicContact CD2-CB 4.21Å; T123-K127 WeakPolarHBondContact O-CG 3.42Å; T123-K127 PolarHBondContact O-N 3.1Å; V124-K127 PolarHBondContact O-N 3.17Å; V124-K127 VanDerWaalsContact O-N 3.16Å
128L87.9Confident90.3Very high9 Ų945.1 Ų45.15%0.04726%0.258CS..THydrogen-bonded Turntrans-860.2173.6-70.8173.1000114F61 V97 V124 R125 S126 G130 R131F61-L128 HydrophobicContact CD1-CD2 4.38Å; F61-L128 HydrophobicContact CD2-CD2 3.52Å; F61-L128 HydrophobicContact CD2-CG 4.08Å; F61-L128 HydrophobicContact CE1-CD2 4.48Å; F61-L128 HydrophobicContact CE2-CD2 3.65Å; F61-L128 HydrophobicContact CE2-CG 4.06Å; F61-L128 HydrophobicContact CG-CD2 3.91Å; F61-L128 HydrophobicContact CZ-CD2 4.14Å; V97-L128 HydrophobicContact CB-CD1 4.24Å; V97-L128 HydrophobicContact CG2-CD1 3.8Å; V97-L128 HydrophobicContact CG2-CD2 3.99Å; V97-L128 HydrophobicContact CG2-CG 4.36Å; V124-L128 HydrophobicContact CG1-CD1 3.87Å; V124-L128 HydrophobicContact CG1-CG 4.35Å; V124-L128 WeakPolarHBondContact O-CB 3.02Å; V124-L128 WeakPolarHBondContact O-CG 3.41Å; V124-L128 PolarHBondContact O-N 3.41Å; R125-L128 CarbonylContact O-C 3.56Å; R125-L128 PolarHBondContact O-N 2.86Å; S126-L128 VanDerWaalsContact C-N 3.28Å; S126-L128 PolarHBondContact O-N 3.35Å; L128-G130 PolarHBondContact O-N 3.33Å; L128-R131 VanDerWaalsContact O-CB 3.3Å; L128-R131 WeakPolarHBondContact O-CB 3.36Å; L128-R131 PolarHBondContact O-N 3.48Å
129A84.9Confident90.3Very high67 Ų6744.3 Ų44.355%0.55425%0.251SS*.THydrogen-bonded Turntrans-53.9128.3-172.100000113.2R125 S126 R131R125-A129 PolarHBondContact O-N 2.86Å; S126-A129 WeakPolarHBondContact O-CB 3Å; S126-A129 PolarHBondContact O-N 3.33Å; S126-A129 VanDerWaalsContact O-N 3.17Å; A129-R131 VanDerWaalsContact C-N 3.3Å
130G80.8Confident90.2Very high61 Ų6138.1 Ų38.163%0.62922%0.222SC*.THydrogen-bonded Turntrans77.96.8-175.200000115P64 L128P64-G130 WeakPolarHBondContact CG-O 3.28Å; L128-G130 PolarHBondContact O-N 3.33Å
131R84.7Confident89.9Confident61 Ų6136.4 Ų36.423%0.2321%0.213CC..  trans-101.3152.8162.2-58.8-55.5-168.8167.41.1110.2P62 K63 L128 A129 S133P62-R131 PolarHBondContact O-NE 2.87Å; P62-R131 PolarHBondContact O-NH2 3.46Å; K63-R131 PolarHBondContact O-NH2 2.87Å; L128-R131 VanDerWaalsContact O-CB 3.3Å; L128-R131 WeakPolarHBondContact O-CB 3.36Å; L128-R131 PolarHBondContact O-N 3.48Å; A129-R131 VanDerWaalsContact C-N 3.3Å; R131-S133 VanDerWaalsContact C-N 3.34Å
132E85Confident89Confident97 Ų9742.9 Ų42.945%0.45324%0.241SC..  trans-9810.3176.9-61.8179.5113.300112.3K134 Y199 Q203 K206E132-K134 PolarHBondContact O-N 3.31Å; E132-Y199 HydrophobicContact CB-CE2 4.33Å; E132-Q203 PolarHBondContact OE2-NE2 3.37Å; E132-K206 WeakPolarHBondContact OE1-CE 3.25Å; E132-K206 IonicContact OE1-NZ 3.83Å; E132-K206 PolarHBondContact OE1-NZ 3.37Å; E132-K206 WeakPolarHBondContact OE2-CE 3.48Å; E132-K206 IonicContact OE2-NZ 2.91Å; E132-K206 PolarHBondContact OE2-NZ 3.18Å
133S89.4Confident88Confident10 Ų1047.7 Ų47.77%0.0725%0.248CC..  trans-64.3120.7173.6-510000108.3P94 A95 R131P94-S133 WeakPolarHBondContact O-CB 3.36Å; P94-S133 PolarHBondContact O-OG 3.49Å; A95-S133 WeakPolarHBondContact O-CA 3.39Å; R131-S133 VanDerWaalsContact C-N 3.34Å
134K88.6Confident86.6Confident77 Ų7748.1 Ų48.134%0.33526%0.257SS..EExtended strand (participates in β ladder)trans-65.6159.7-178.9-64.7174.9179.6171.80110.8A95 F96 V97 E132A95-K134 PolarHBondContact O-N 2.79Å; F96-K134 CarbonylContact C-O 3.51Å; F96-K134 WeakPolarHBondContact CA-O 3.44Å; F96-K134 HydrophobicContact CB-CB 3.8Å; F96-K134 VanDerWaalsContact CB-O 3.25Å; F96-K134 WeakPolarHBondContact CB-O 3.17Å; V97-K134 PolarHBondContact N-O 3.32Å; E132-K134 PolarHBondContact O-N 3.31Å
135L91.8Very high85.2Confident15 Ų1552.4 Ų52.48%0.07929%0.285CS..EExtended strand (participates in β ladder)trans-113.1133167.1-176.553.2000109V97 L99 V121 V124 R125 N171V97-L135 HydrophobicContact CB-CD1 4.13Å; V97-L135 HydrophobicContact CG1-CD1 4.27Å; L99-L135 HydrophobicContact CB-CD1 4.31Å; V121-L135 HydrophobicContact CB-CD2 4.47Å; V121-L135 HydrophobicContact CG1-CD2 3.83Å; V121-L135 WeakPolarHBondContact O-CD2 3.42Å; V124-L135 HydrophobicContact CB-CD1 4.25Å; V124-L135 HydrophobicContact CB-CD2 4.14Å; V124-L135 HydrophobicContact CG1-CD1 3.7Å; V124-L135 HydrophobicContact CG1-CD2 4.21Å; R125-L135 HydrophobicContact CB-CD2 4.14Å; L135-N171 PolarHBondContact O-ND2 3.47Å
136V93.6Very high83.8Confident0 Ų053 Ų530%030%0.295CS..EExtended strand (participates in β ladder)trans-127.2140-177.4176.70000107.6F96 V97 A98 L99 I138 N171 F173 M195F96-V136 HydrophobicContact CD2-CB 4.27Å; F96-V136 HydrophobicContact CD2-CG2 3.72Å; F96-V136 HydrophobicContact CE2-CG2 4.18Å; F96-V136 HydrophobicContact CG-CG2 4.46Å; V97-V136 PolarHBondContact O-N 2.92Å; A98-V136 WeakPolarHBondContact CA-O 3.39Å; L99-V136 PolarHBondContact N-O 2.83Å; V136-I138 HydrophobicContact CG1-CG1 4.19Å; V136-N171 WeakPolarHBondContact CA-O 3.45Å; V136-N171 WeakPolarHBondContact CG1-O 3.4Å; V136-F173 HydrophobicContact CG1-CD2 3.54Å; V136-F173 HydrophobicContact CG1-CE2 3.65Å; V136-M195 HydrophobicContact CG1-CE 4.47Å; V136-M195 HydrophobicContact CG2-CE 3.91Å; V136-M195 HydrophobicContact CG2-SD 3.55Å; V136-M195 VanDerWaalsContact CG2-SD 3.55Å
137V94Very high82.3Confident1 Ų153.2 Ų53.21%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-111.7134.1174.5170.80000109.5L99 V121 L139 L167 N171 L172 F173L99-V137 HydrophobicContact CB-CG2 4.42Å; L99-V137 HydrophobicContact CD2-CG2 4.46Å; L99-V137 WeakPolarHBondContact O-CA 3.21Å; V121-V137 HydrophobicContact CG2-CG2 3.56Å; V137-L139 HydrophobicContact CG1-CD2 3.7Å; V137-L167 HydrophobicContact CB-CD1 4.07Å; V137-L167 HydrophobicContact CG2-CD1 3.36Å; V137-N171 PolarHBondContact N-O 3.41Å; V137-L172 HydrophobicContact CB-CD1 4Å; V137-L172 HydrophobicContact CG1-CD1 3.73Å; V137-L172 WeakPolarHBondContact O-CA 3.39Å; V137-F173 PolarHBondContact O-N 2.85Å
138I94.1Very high80.6Confident0 Ų058.9 Ų58.90%033%0.327CS..EExtended strand (participates in β ladder)trans-124.9106.9179.8-52.9-176.8000107.8A98 L99 F100 Y101 V136 I140 F173 L175 L188 F192A98-I138 HydrophobicContact CB-CD1 3.91Å; L99-I138 PolarHBondContact O-N 3.36Å; F100-I138 WeakPolarHBondContact CA-O 3.46Å; F100-I138 HydrophobicContact CD1-CB 3.92Å; F100-I138 HydrophobicContact CD1-CG2 3.91Å; F100-I138 HydrophobicContact CE1-CB 4.04Å; F100-I138 HydrophobicContact CE1-CD1 3.96Å; F100-I138 HydrophobicContact CE1-CG2 3.8Å; F100-I138 HydrophobicContact CE2-CD1 4.17Å; F100-I138 HydrophobicContact CG-CB 4.37Å; F100-I138 HydrophobicContact CZ-CD1 3.73Å; Y101-I138 PolarHBondContact N-O 2.99Å; Y101-I138 VanDerWaalsContact N-O 3.11Å; V136-I138 HydrophobicContact CG1-CG1 4.19Å; I138-I140 PolarHBondContact O-N 3.33Å; I138-F173 WeakPolarHBondContact CA-O 3.35Å; I138-F173 HydrophobicContact CG1-CB 4.39Å; I138-L175 HydrophobicContact CG2-CB 3.82Å; I138-L175 HydrophobicContact CG2-CD2 4.44Å; I138-L188 HydrophobicContact CG2-CD1 4.46Å; I138-F192 HydrophobicContact CD1-CE1 3.94Å; I138-F192 HydrophobicContact CD1-CZ 3.64Å
139L91.8Very high79.1Confident0 Ų061.8 Ų61.80%036%0.358CS..EExtended strand (participates in β ladder)trans-77.5121.1177.9-54.3-173.2000109.4Y101 L103 W105 V137 L161 L172 F173 L175Y101-L139 WeakPolarHBondContact O-CA 3.35Å; L103-L139 HydrophobicContact CB-CD2 4.25Å; L103-L139 HydrophobicContact CD2-CD1 4.41Å; L103-L139 HydrophobicContact CD2-CD2 4.28Å; W105-L139 HydrophobicContact CH2-CD1 3.6Å; W105-L139 HydrophobicContact CZ2-CD1 3.98Å; W105-L139 HydrophobicContact CZ3-CD1 4.02Å; V137-L139 HydrophobicContact CG1-CD2 3.7Å; L139-L161 HydrophobicContact CD1-CD2 3.86Å; L139-L161 HydrophobicContact CD2-CD2 3.89Å; L139-L161 HydrophobicContact CG-CD2 4.4Å; L139-L172 HydrophobicContact CD1-CD1 4.17Å; L139-L172 HydrophobicContact CD2-CD1 4.25Å; L139-L172 HydrophobicContact CG-CD1 3.9Å; L139-F173 PolarHBondContact N-O 3.4Å; L139-L175 PolarHBondContact O-N 3.36Å
140I90.5Very high77.7Confident1 Ų165.1 Ų65.11%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-85.1125.3172.6-61.2172.4000107.3L24 V31 H32 I35 F100 Y101 D102 L103 I138L24-I140 HydrophobicContact CD2-CD1 3.79Å; V31-I140 HydrophobicContact CG1-CG2 3.98Å; H32-I140 VanDerWaalsContact CD2-CD1 3.43Å; H32-I140 WeakPolarHBondContact CD2-CD1 3.34Å; H32-I140 WeakPolarHBondContact NE2-CD1 3.36Å; I35-I140 HydrophobicContact CD1-CD1 3.63Å; I35-I140 HydrophobicContact CD1-CG1 3.91Å; I35-I140 HydrophobicContact CD1-CG2 3.87Å; F100-I140 HydrophobicContact CB-CD1 3.95Å; F100-I140 HydrophobicContact CB-CG1 4.47Å; F100-I140 HydrophobicContact CD1-CD1 3.93Å; F100-I140 HydrophobicContact CD1-CG1 4.02Å; F100-I140 HydrophobicContact CG-CD1 4.39Å; Y101-I140 PolarHBondContact O-N 2.84Å; D102-I140 WeakPolarHBondContact OD1-CB 3.35Å; D102-I140 WeakPolarHBondContact OD1-CG2 3.34Å; L103-I140 PolarHBondContact N-O 2.94Å; I138-I140 PolarHBondContact O-N 3.33Å
141Q86.9Confident76.8Confident13 Ų1364.8 Ų64.86%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-120138.4-178.8-66.3-165.2-24.600111.1L103 D104 V174 L175 S176 H177L103-Q141 WeakPolarHBondContact O-CG 3.49Å; L103-Q141 PolarHBondContact O-NE2 2.89Å; D104-Q141 VanDerWaalsContact OD1-CA 3.26Å; D104-Q141 WeakPolarHBondContact OD1-CA 3.28Å; D104-Q141 WeakPolarHBondContact OD1-CB 3.33Å; Q141-V174 HydrophobicContact CB-CG1 4.44Å; Q141-V174 HydrophobicContact CG-CG1 3.92Å; Q141-V174 VanDerWaalsContact OE1-CG1 3.22Å; Q141-L175 PolarHBondContact N-O 2.9Å; Q141-L175 VanDerWaalsContact N-O 3.07Å; Q141-S176 CarbonylContact O-C 3.45Å; Q141-S176 WeakPolarHBondContact O-CA 3.49Å; Q141-H177 PolarHBondContact O-N 3.37Å
142K74.8Confident75.8Confident136 Ų13668.6 Ų68.659%0.59137%0.37SS*.SBendtrans-84.4-26.5-174.5-55-177.2-159.180.90111.8D104D104-K142 PolarHBondContact OD1-N 2.84Å; D104-K142 WeakPolarHBondContact OD2-CG 3.46Å; D104-K142 IonicContact OD2-NZ 2.83Å; D104-K142 PolarHBondContact OD2-NZ 3.31Å
143R71.1Confident75.2Confident154 Ų15468.8 Ų68.858%0.58138%0.375SS*.SBendtrans-95.7161177.3-60.1-170.6-168143.316.4111.5D106 S176D106-R143 VanDerWaalsContact CG-NH1 3.27Å; D106-R143 IonicContact OD1-CZ 3.44Å; D106-R143 IonicContact OD1-NH1 3.68Å; D106-R143 PolarHBondContact OD1-NH1 2.67Å; D106-R143 IonicContact OD1-NH2 3.14Å; D106-R143 IonicContact OD2-CZ 3.23Å; D106-R143 IonicContact OD2-NH1 2.65Å; D106-R143 PolarHBondContact OD2-NH1 2.99Å; D106-R143 IonicContact OD2-NH2 2.79Å; D106-R143 PolarHBondContact OD2-NH2 3.3Å; R143-S176 WeakPolarHBondContact O-CB 3.37Å
144A65.3Low74.7Confident64 Ų6469.2 Ų69.253%0.52938%0.379SS..PPolyproline II helixtrans-68.9146.5167.500000109.9L146 T178A144-L146 PolarHBondContact O-N 3.02Å; A144-T178 HydrophobicContact CB-CG2 3.9Å
145P62.6Low74.3Confident91 Ų9171.6 Ų71.659%0.59139%0.393SS*.PPolyproline II helixtrans-62.3134.8172.227.9-34.2000109.8
146L61.8Low74Confident104 Ų10476 Ų7655%0.54542%0.416SS..PPolyproline II helixtrans-65.3159.2173.7-71.8170.2000111A144 D151A144-L146 PolarHBondContact O-N 3.02Å; L146-D151 HydrophobicContact CD1-CB 4.24Å
147P58.5Low73.7Confident88 Ų8878.3 Ų78.357%0.57143%0.425SS*.PPolyproline II helixtrans-52.5150.9172.7-26.135.6000113G149 E150P147-G149 PolarHBondContact O-N 3.46Å; P147-E150 PolarHBondContact O-N 3.43Å
148L54Low73.4Confident188 Ų18879.4 Ų79.498%0.98443%0.434SS*.THydrogen-bonded Turntrans-60.299-177.2-70.8168000111.6
149G56.5Low73.1Confident69 Ų6984.6 Ų84.671%0.71146%0.459SS*.THydrogen-bonded Turntrans138.1-18.9171.600000115.7P147P147-G149 PolarHBondContact O-N 3.46Å
150E55.6Low73Confident137 Ų13786.4 Ų86.464%0.6447%0.471SS*.SBendtrans-85.2-35-170.2-63.3-172.5141.500114.4P147 L152P147-E150 PolarHBondContact O-N 3.43Å; E150-L152 PolarHBondContact O-N 2.88Å
151D61.7Low73Confident55 Ų5586.5 Ų86.529%0.29447%0.471SS..  trans-85.674.1-176-161.3-16.5000112.4L146 N153 A154L146-D151 HydrophobicContact CD1-CB 4.24Å; D151-N153 PolarHBondContact O-N 2.67Å; D151-N153 WeakPolarHBondContact OD1-CB 3.24Å; D151-N153 PolarHBondContact OD1-N 3.39Å; D151-A154 HydrophobicContact CB-CB 4Å; D151-A154 WeakPolarHBondContact O-CB 3.21Å; D151-A154 PolarHBondContact O-N 3.35Å; D151-A154 PolarHBondContact OD1-N 2.7Å
152L64.3Low73.2Confident140 Ų14086.4 Ų86.473%0.73347%0.472SS*.Hα-helixtrans-56.5-31.9174.6-70.8171.7000112.6E150E150-L152 PolarHBondContact O-N 2.88Å
153N73.1Confident74Confident102 Ų10286.1 Ų86.155%0.54548%0.477SS..Hα-helixtrans-68.9-37.7179.7-69.9-35.6000111.7D151 M155 D156 R157D151-N153 PolarHBondContact O-N 2.67Å; D151-N153 WeakPolarHBondContact OD1-CB 3.24Å; D151-N153 PolarHBondContact OD1-N 3.39Å; N153-M155 VanDerWaalsContact C-N 3.27Å; N153-M155 PolarHBondContact O-N 3.49Å; N153-D156 PolarHBondContact O-N 2.88Å; N153-R157 WeakPolarHBondContact O-CB 3.15Å; N153-R157 VanDerWaalsContact O-CG 3.31Å; N153-R157 WeakPolarHBondContact O-CG 3.26Å; N153-R157 PolarHBondContact O-N 2.66Å
154A78.1Confident74.9Confident18 Ų1883 Ų8315%0.14947%0.468CS..Hα-helixtrans-57.3-36.9-178.600000113.2W105 D151 A158W105-A154 HydrophobicContact CB-CB 4.2Å; W105-A154 HydrophobicContact CD2-CB 3.81Å; W105-A154 HydrophobicContact CG-CB 3.62Å; D151-A154 HydrophobicContact CB-CB 4Å; D151-A154 WeakPolarHBondContact O-CB 3.21Å; D151-A154 PolarHBondContact O-N 3.35Å; D151-A154 PolarHBondContact OD1-N 2.7Å; A154-A158 WeakPolarHBondContact O-CB 3.43Å; A154-A158 PolarHBondContact O-N 3.18Å
155M81.1Confident76.2Confident128 Ų12880.2 Ų80.263%0.63144%0.444SS*.Hα-helixtrans-69.4-48.7-179.9-175175.165.500112.4N153 A158 Q159N153-M155 VanDerWaalsContact C-N 3.27Å; N153-M155 PolarHBondContact O-N 3.49Å; M155-A158 PolarHBondContact O-N 3.07Å; M155-Q159 WeakPolarHBondContact O-CG 3.43Å; M155-Q159 PolarHBondContact O-N 3.07Å; M155-Q159 VanDerWaalsContact O-N 3.11Å
156D85.1Confident77.6Confident107 Ų10781.1 Ų81.157%0.57245%0.445SS*.Hα-helixtrans-66.4-44.5177.7178.668.4000111.2N153 A158 Q159 S160N153-D156 PolarHBondContact O-N 2.88Å; D156-A158 VanDerWaalsContact C-N 3.34Å; D156-A158 PolarHBondContact O-N 2.91Å; D156-Q159 PolarHBondContact O-N 3.5Å; D156-S160 VanDerWaalsContact O-CB 3.26Å; D156-S160 WeakPolarHBondContact O-CB 3.49Å; D156-S160 PolarHBondContact O-N 3.31Å
157R87.6Confident78.8Confident48 Ų4877 Ų7718%0.18142%0.423CS..Hα-helixtrans-61.4-39.3175.7-72.8-178.1173.5-141.8-6.3111.9W105 E107 W110 N153 S160 L161W105-R157 HydrophobicContact CE3-CB 3.68Å; W105-R157 HydrophobicContact CZ3-CB 3.79Å; W105-R157 WeakPolarHBondContact O-CD 3.3Å; W105-R157 VanDerWaalsContact O-CZ 3.26Å; W105-R157 PolarHBondContact O-NE 3.39Å; W105-R157 PolarHBondContact O-NH1 3.15Å; E107-R157 PolarHBondContact O-NH1 3.42Å; E107-R157 PolarHBondContact O-NH2 2.98Å; W110-R157 HydrophobicContact CD2-CB 4.41Å; W110-R157 HydrophobicContact CD2-CG 4.03Å; W110-R157 HydrophobicContact CE3-CB 4.47Å; W110-R157 HydrophobicContact CE3-CG 4.35Å; W110-R157 HydrophobicContact CH2-CB 3.72Å; W110-R157 HydrophobicContact CH2-CG 4.39Å; W110-R157 HydrophobicContact CZ2-CB 3.6Å; W110-R157 HydrophobicContact CZ2-CG 4.05Å; W110-R157 WeakPolarHBondContact CZ2-O 3.3Å; W110-R157 HydrophobicContact CZ3-CB 4.12Å; W110-R157 HydrophobicContact CZ3-CG 4.49Å; N153-R157 WeakPolarHBondContact O-CB 3.15Å; N153-R157 VanDerWaalsContact O-CG 3.31Å; N153-R157 WeakPolarHBondContact O-CG 3.26Å; N153-R157 PolarHBondContact O-N 2.66Å; R157-S160 PolarHBondContact O-N 2.91Å; R157-L161 WeakPolarHBondContact O-CB 3.33Å; R157-L161 PolarHBondContact O-N 3.15Å
158A87Confident80.3Confident25 Ų2576.1 Ų76.121%0.20742%0.417CS..Hα-helixtrans-61.8-46.5173.900000112.1W105 A154 M155 D156 L161 C162 L172W105-A158 HydrophobicContact CH2-CB 3.59Å; W105-A158 HydrophobicContact CZ2-CB 4.23Å; W105-A158 HydrophobicContact CZ3-CB 4.16Å; A154-A158 WeakPolarHBondContact O-CB 3.43Å; A154-A158 PolarHBondContact O-N 3.18Å; M155-A158 PolarHBondContact O-N 3.07Å; D156-A158 VanDerWaalsContact C-N 3.34Å; D156-A158 PolarHBondContact O-N 2.91Å; A158-L161 PolarHBondContact O-N 2.96Å; A158-C162 WeakPolarHBondContact O-CB 3.42Å; A158-C162 PolarHBondContact O-N 2.7Å; A158-L172 HydrophobicContact CB-CD2 4.08Å
159Q87.5Confident81.8Confident109 Ų10969.7 Ų69.751%0.50940%0.396SS..Hα-helixtrans-64.9-44177.1-67.8179.921.800111.6M155 D156 L161 C162 N163M155-Q159 WeakPolarHBondContact O-CG 3.43Å; M155-Q159 PolarHBondContact O-N 3.07Å; M155-Q159 VanDerWaalsContact O-N 3.11Å; D156-Q159 PolarHBondContact O-N 3.5Å; Q159-L161 VanDerWaalsContact C-N 3.34Å; Q159-L161 PolarHBondContact O-N 3.23Å; Q159-C162 PolarHBondContact O-N 3.16Å; Q159-N163 WeakPolarHBondContact O-CB 3.43Å; Q159-N163 PolarHBondContact O-N 3.2Å; Q159-N163 PolarHBondContact O-ND2 3.31Å
160S89.2Confident83.3Confident37 Ų3774.1 Ų74.126%0.25940%0.396SS..Hα-helixtrans-57.2-44.1175.3-169.10000112.1D156 R157 K164D156-S160 VanDerWaalsContact O-CB 3.26Å; D156-S160 WeakPolarHBondContact O-CB 3.49Å; D156-S160 PolarHBondContact O-N 3.31Å; R157-S160 PolarHBondContact O-N 2.91Å; S160-K164 WeakPolarHBondContact O-CG 3.17Å; S160-K164 PolarHBondContact O-N 2.84Å
161L90.8Very high85Confident3 Ų368.4 Ų68.42%0.01637%0.37CS..Hα-helixtrans-69-46.1176.5-172.567.4000111.9L103 W110 S114 C117 L139 R157 A158 Q159 N163 K164 C165 L172L103-L161 HydrophobicContact CD2-CD2 4.16Å; W110-L161 HydrophobicContact CH2-CB 4.08Å; W110-L161 HydrophobicContact CH2-CD2 4.37Å; W110-L161 HydrophobicContact CZ2-CB 3.99Å; S114-L161 WeakPolarHBondContact OG-CD1 3.43Å; C117-L161 HydrophobicContact CB-CD1 4.23Å; L139-L161 HydrophobicContact CD1-CD2 3.86Å; L139-L161 HydrophobicContact CD2-CD2 3.89Å; L139-L161 HydrophobicContact CG-CD2 4.4Å; R157-L161 WeakPolarHBondContact O-CB 3.33Å; R157-L161 PolarHBondContact O-N 3.15Å; A158-L161 PolarHBondContact O-N 2.96Å; Q159-L161 VanDerWaalsContact C-N 3.34Å; Q159-L161 PolarHBondContact O-N 3.23Å; L161-N163 VanDerWaalsContact C-N 3.29Å; L161-N163 PolarHBondContact O-N 3.46Å; L161-K164 PolarHBondContact O-N 3.19Å; L161-C165 VanDerWaalsContact O-CB 3.26Å; L161-C165 WeakPolarHBondContact O-CB 3.26Å; L161-C165 PolarHBondContact O-N 3.46Å; L161-C165 PolarHBondContact O-SG 3.19Å; L161-C165 VanDerWaalsContact O-SG 3.37Å; L161-L172 HydrophobicContact CD2-CD1 4.16Å; L161-L172 HydrophobicContact CD2-CD2 4.45Å
162C91.7Very high86.5Confident12 Ų1267 Ų678%0.08136%0.362CS..Hα-helixtrans-55.6-43.6175.3-87.60000112.3A158 Q159 D166 L167A158-C162 WeakPolarHBondContact O-CB 3.42Å; A158-C162 PolarHBondContact O-N 2.7Å; Q159-C162 PolarHBondContact O-N 3.16Å; C162-D166 WeakPolarHBondContact O-CA 3.36Å; C162-D166 PolarHBondContact O-N 2.83Å; C162-L167 VanDerWaalsContact CB-O 3.28Å; C162-L167 WeakPolarHBondContact CB-O 3.25Å; C162-L167 PolarHBondContact O-N 2.91Å; C162-L167 PolarHBondContact SG-O 2.87Å
163N91.2Very high87.7Confident130 Ų13061.8 Ų61.870%0.69533%0.334SS*.Hα-helixtrans-66.6-45.4178-68.2-19.6000111.9Q159 L161 C165 D166Q159-N163 WeakPolarHBondContact O-CB 3.43Å; Q159-N163 PolarHBondContact O-N 3.2Å; Q159-N163 PolarHBondContact O-ND2 3.31Å; L161-N163 VanDerWaalsContact C-N 3.29Å; L161-N163 PolarHBondContact O-N 3.46Å; N163-C165 PolarHBondContact O-N 2.69Å; N163-D166 PolarHBondContact O-N 3.36Å
164K90.8Very high88.4Confident87 Ų8759.7 Ų59.738%0.37832%0.324SS..Hα-helixtrans-65.3-36.5176.5-77.8172173.6-174.60113.6S114 A118 S160 L161 D166S114-K164 WeakPolarHBondContact OG-CD 3.4Å; S114-K164 PolarHBondContact OG-NZ 2.89Å; S114-K164 VanDerWaalsContact OG-NZ 3.09Å; A118-K164 HydrophobicContact CB-CB 4.44Å; S160-K164 WeakPolarHBondContact O-CG 3.17Å; S160-K164 PolarHBondContact O-N 2.84Å; L161-K164 PolarHBondContact O-N 3.19Å; K164-D166 VanDerWaalsContact C-N 3.32Å
165C92Very high88.9Confident6 Ų658.9 Ų58.94%0.04132%0.317CS..Hα-helixtrans-83.1-8.1178.9-69.30000113.2V121 R125 L161 N163 L167V121-C165 HydrophobicContact CB-CB 4.48Å; V121-C165 HydrophobicContact CG1-CB 4.21Å; V121-C165 WeakPolarHBondContact CG1-O 3.48Å; V121-C165 HydrophobicContact CG2-CB 4.26Å; R125-C165 PolarHBondContact NH2-O 3.14Å; L161-C165 VanDerWaalsContact O-CB 3.26Å; L161-C165 WeakPolarHBondContact O-CB 3.26Å; L161-C165 PolarHBondContact O-N 3.46Å; L161-C165 PolarHBondContact O-SG 3.19Å; L161-C165 VanDerWaalsContact O-SG 3.37Å; N163-C165 PolarHBondContact O-N 2.69Å; C165-L167 HydrophobicContact CB-CB 4.39Å; C165-L167 HydrophobicContact CB-CD1 3.73Å; C165-L167 HydrophobicContact CB-CG 3.91Å
166D91.5Very high89Confident111 Ų11153.1 Ų53.159%0.59429%0.29SS*.THydrogen-bonded Turntrans4956.1-168.1-179.944.3000112R125 C162 N163 K164R125-D166 IonicContact CZ-OD2 3.41Å; R125-D166 IonicContact NH1-OD2 2.79Å; R125-D166 PolarHBondContact NH1-OD2 3.37Å; R125-D166 PolarHBondContact NH2-O 3.11Å; R125-D166 IonicContact NH2-OD2 2.68Å; C162-D166 WeakPolarHBondContact O-CA 3.36Å; C162-D166 PolarHBondContact O-N 2.83Å; N163-D166 PolarHBondContact O-N 3.36Å; K164-D166 VanDerWaalsContact C-N 3.32Å
167L88.4Confident88.7Confident17 Ų1750.9 Ų50.99%0.08928%0.275CS..  trans-126133.8-178.5-69.6174000110.9V121 V137 C162 C165V121-L167 HydrophobicContact CG1-CD1 4.18Å; V121-L167 HydrophobicContact CG1-CD2 4.5Å; V121-L167 HydrophobicContact CG1-CG 4.33Å; V121-L167 HydrophobicContact CG2-CD1 4.18Å; V137-L167 HydrophobicContact CB-CD1 4.07Å; V137-L167 HydrophobicContact CG2-CD1 3.36Å; C162-L167 VanDerWaalsContact CB-O 3.28Å; C162-L167 WeakPolarHBondContact CB-O 3.25Å; C162-L167 PolarHBondContact O-N 2.91Å; C162-L167 PolarHBondContact SG-O 2.87Å; C165-L167 HydrophobicContact CB-CB 4.39Å; C165-L167 HydrophobicContact CB-CD1 3.73Å; C165-L167 HydrophobicContact CB-CG 3.91Å
168P89.8Confident88.3Confident70 Ų7050.2 Ų50.246%0.45528%0.277SS..  trans-67.2142.1173.530.3-34.8000110K170 N171P168-K170 HydrophobicContact CB-CG 4.49Å; P168-K170 PolarHBondContact O-N 3.07Å; P168-N171 HydrophobicContact CG-CB 4.15Å; P168-N171 WeakPolarHBondContact O-CB 3.38Å; P168-N171 PolarHBondContact O-N 3.41Å
169G85.6Confident87.7Confident52 Ų5257.2 Ų57.254%0.53631%0.311SS..G310 helixtrans-51.2-35.3-173.500000115.5N171 L172G169-N171 PolarHBondContact O-N 3.44Å; G169-N171 VanDerWaalsContact O-N 3.14Å; G169-L172 PolarHBondContact O-N 3.21Å
170K87.1Confident87.2Confident163 Ų16358.1 Ų58.171%0.70932%0.318SS*.G310 helixtrans-68.1-4.5175.569.6-175.9178.6-173.10115.7P168 F173P168-K170 HydrophobicContact CB-CG 4.49Å; P168-K170 PolarHBondContact O-N 3.07Å; K170-F173 WeakPolarHBondContact O-CZ 3.46Å
171N91.5Very high86.8Confident17 Ų1756.8 Ų56.89%0.09131%0.309CS..G310 helixtrans-103.75.5172.4-73.841.2000111.8L135 V136 V137 P168 G169L135-N171 PolarHBondContact O-ND2 3.47Å; V136-N171 WeakPolarHBondContact CA-O 3.45Å; V136-N171 WeakPolarHBondContact CG1-O 3.4Å; V137-N171 PolarHBondContact N-O 3.41Å; P168-N171 HydrophobicContact CG-CB 4.15Å; P168-N171 WeakPolarHBondContact O-CB 3.38Å; P168-N171 PolarHBondContact O-N 3.41Å; G169-N171 PolarHBondContact O-N 3.44Å; G169-N171 VanDerWaalsContact O-N 3.14Å
172L92.4Very high86.4Confident26 Ų2662.4 Ų62.414%0.13633%0.33CS..EExtended strand (participates in β ladder)trans-108.4121.6173.6-179.463.9000109.3W105 V137 L139 A158 L161 G169W105-L172 HydrophobicContact CH2-CD2 4.4Å; V137-L172 HydrophobicContact CB-CD1 4Å; V137-L172 HydrophobicContact CG1-CD1 3.73Å; V137-L172 WeakPolarHBondContact O-CA 3.39Å; L139-L172 HydrophobicContact CD1-CD1 4.17Å; L139-L172 HydrophobicContact CD2-CD1 4.25Å; L139-L172 HydrophobicContact CG-CD1 3.9Å; A158-L172 HydrophobicContact CB-CD2 4.08Å; L161-L172 HydrophobicContact CD2-CD1 4.16Å; L161-L172 HydrophobicContact CD2-CD2 4.45Å; G169-L172 PolarHBondContact O-N 3.21Å
173F90.8Very high85.9Confident30 Ų3063.6 Ų63.613%0.13234%0.344CS..EExtended strand (participates in β ladder)trans-124.3161177.4-60.4-83.8000111.3V136 V137 I138 L139 K170 L188 E191 M195V136-F173 HydrophobicContact CG1-CD2 3.54Å; V136-F173 HydrophobicContact CG1-CE2 3.65Å; V137-F173 PolarHBondContact O-N 2.85Å; I138-F173 WeakPolarHBondContact CA-O 3.35Å; I138-F173 HydrophobicContact CG1-CB 4.39Å; L139-F173 PolarHBondContact N-O 3.4Å; K170-F173 WeakPolarHBondContact O-CZ 3.46Å; F173-L188 HydrophobicContact CB-CD2 3.66Å; F173-L188 HydrophobicContact CD1-CD2 3.8Å; F173-L188 HydrophobicContact CG-CD2 3.74Å; F173-E191 HydrophobicContact CE1-CB 4.11Å; F173-E191 HydrophobicContact CE1-CG 3.75Å; F173-E191 HydrophobicContact CZ-CB 3.97Å; F173-E191 HydrophobicContact CZ-CG 4.05Å; F173-M195 HydrophobicContact CE2-CE 3.85Å; F173-M195 HydrophobicContact CZ-CE 4.12Å
174V88.2Confident85.5Confident58 Ų5858 Ų5835%0.35232%0.316SS..EExtended strand (participates in β ladder)trans-123.4132.5178.61790000109.5W105 Q141W105-V174 HydrophobicContact CZ2-CG2 3.71Å; Q141-V174 HydrophobicContact CB-CG1 4.44Å; Q141-V174 HydrophobicContact CG-CG1 3.92Å; Q141-V174 VanDerWaalsContact OE1-CG1 3.22Å
175L88Confident85.3Confident0 Ų054 Ų540%030%0.298CS..EExtended strand (participates in β ladder)trans-126.995.2-179.4-176.458.6000110.3I35 F39 F100 I138 L139 Q141 L181 C184 I185 L188I35-L175 HydrophobicContact CD1-CD2 4.22Å; I35-L175 HydrophobicContact CG1-CD2 4.27Å; I35-L175 HydrophobicContact CG2-CD2 3.82Å; F39-L175 HydrophobicContact CE2-CD2 4.4Å; F100-L175 HydrophobicContact CE1-CD2 4.01Å; I138-L175 HydrophobicContact CG2-CB 3.82Å; I138-L175 HydrophobicContact CG2-CD2 4.44Å; L139-L175 PolarHBondContact O-N 3.36Å; Q141-L175 PolarHBondContact N-O 2.9Å; Q141-L175 VanDerWaalsContact N-O 3.07Å; L175-L181 HydrophobicContact CD1-CD1 3.75Å; L175-L181 HydrophobicContact CD2-CD1 4.35Å; L175-L181 HydrophobicContact CG-CD1 4.05Å; L175-C184 HydrophobicContact CD1-CB 3.61Å; L175-I185 HydrophobicContact CD1-CG1 4.2Å; L175-L188 HydrophobicContact CB-CD1 4.39Å; L175-L188 HydrophobicContact CD1-CD1 3.96Å; L175-L188 HydrophobicContact CD2-CD1 4.23Å; L175-L188 HydrophobicContact CG-CD1 4.43Å
176S83.1Confident84.9Confident7 Ų755.8 Ų55.85%0.04931%0.309CS..EExtended strand (participates in β ladder)trans-72.3127.5174.963.50000111.5Q141 R143 T178Q141-S176 CarbonylContact O-C 3.45Å; Q141-S176 WeakPolarHBondContact O-CA 3.49Å; R143-S176 WeakPolarHBondContact O-CB 3.37Å; S176-T178 VanDerWaalsContact C-N 3.3Å; S176-T178 PolarHBondContact O-N 3.4Å
177H78.2Confident84.5Confident60 Ų6058.5 Ų58.528%0.27831%0.311SS..  trans-82.271.1177.4-164.865.7000112.4V31 S34 Q141V31-H177 HydrophobicContact CG1-CB 3.91Å; S34-H177 PolarHBondContact OG-CE1 3.08Å; Q141-H177 PolarHBondContact O-N 3.37Å
178T79.6Confident84.5Confident35 Ų3558.1 Ų58.122%0.21531%0.309CS..SBendtrans-117.9178-177.865.40000111.8A144 S176 L180 L181A144-T178 HydrophobicContact CB-CG2 3.9Å; S176-T178 VanDerWaalsContact C-N 3.3Å; S176-T178 PolarHBondContact O-N 3.4Å; T178-L180 PolarHBondContact O-N 3.13Å; T178-L180 PolarHBondContact OG1-N 3.15Å; T178-L181 VanDerWaalsContact O-CB 3.25Å; T178-L181 WeakPolarHBondContact O-CB 3.25Å; T178-L181 PolarHBondContact O-N 3.08Å
179N73.6Confident84.5Confident172 Ų17255.3 Ų55.392%0.9229%0.29SS*.THydrogen-bonded Turntrans-56.5-18.3171.9-63.1-7.9000113.3
180L77.9Confident84.6Confident127 Ų12756 Ų5667%0.66528%0.281SS*.THydrogen-bonded Turntrans-90.97.6176.1-60.9176.4000113.6T178 Y182 G183 C184T178-L180 PolarHBondContact O-N 3.13Å; T178-L180 PolarHBondContact OG1-N 3.15Å; L180-Y182 VanDerWaalsContact C-N 3.25Å; L180-Y182 PolarHBondContact O-N 2.82Å; L180-Y182 VanDerWaalsContact O-N 3.1Å; L180-G183 WeakPolarHBondContact O-CA 3.27Å; L180-G183 PolarHBondContact O-N 2.88Å; L180-C184 PolarHBondContact O-N 2.9Å; L180-C184 VanDerWaalsContact O-N 3.1Å
181L81.2Confident84.7Confident10 Ų1052.9 Ų52.95%0.05227%0.269CS..Hα-helixtrans-46-46.1-176.317868.5000113.2I35 A38 L175 T178 G183 C184 I185I35-L181 HydrophobicContact CG1-CD1 4.17Å; I35-L181 HydrophobicContact CG1-CD2 4.5Å; A38-L181 HydrophobicContact CB-CD2 4.09Å; L175-L181 HydrophobicContact CD1-CD1 3.75Å; L175-L181 HydrophobicContact CD2-CD1 4.35Å; L175-L181 HydrophobicContact CG-CD1 4.05Å; T178-L181 VanDerWaalsContact O-CB 3.25Å; T178-L181 WeakPolarHBondContact O-CB 3.25Å; T178-L181 PolarHBondContact O-N 3.08Å; L181-G183 PolarHBondContact O-N 2.85Å; L181-C184 PolarHBondContact O-N 3.27Å; L181-I185 HydrophobicContact CD1-CD1 4.11Å; L181-I185 HydrophobicContact CD1-CG1 4.48Å; L181-I185 HydrophobicContact CD2-CD1 4.48Å; L181-I185 HydrophobicContact CG-CD1 3.93Å; L181-I185 WeakPolarHBondContact O-CG1 3.37Å; L181-I185 PolarHBondContact O-N 3.39Å
182Y81.7Confident84.6Confident121 Ų12152 Ų5248%0.47527%0.265SS..Hα-helixtrans-60.4-42.6177.8-74.6-80.2000112.3A38 L180 C184 I185 T186A38-Y182 HydrophobicContact CB-CD1 4.31Å; A38-Y182 HydrophobicContact CB-CE1 3.8Å; L180-Y182 VanDerWaalsContact C-N 3.25Å; L180-Y182 PolarHBondContact O-N 2.82Å; L180-Y182 VanDerWaalsContact O-N 3.1Å; Y182-C184 VanDerWaalsContact C-N 3.29Å; Y182-C184 PolarHBondContact O-N 3.27Å; Y182-I185 PolarHBondContact O-N 3Å; Y182-T186 WeakPolarHBondContact O-CG2 3.28Å; Y182-T186 PolarHBondContact O-N 3.42Å
183G81.2Confident84.5Confident36 Ų3655.2 Ų55.237%0.37128%0.275SS..Hα-helixtrans-73.1-14.9176.600000114.9L180 L181 T186 R187L180-G183 WeakPolarHBondContact O-CA 3.27Å; L180-G183 PolarHBondContact O-N 2.88Å; L181-G183 PolarHBondContact O-N 2.85Å; G183-T186 WeakPolarHBondContact CA-OG1 3.4Å; G183-T186 PolarHBondContact O-OG1 3.48Å; G183-R187 PolarHBondContact O-NE 2.85Å
184C83.8Confident84.5Confident14 Ų1458.5 Ų58.510%0.09529%0.294CS..Hα-helixtrans-81.7-42.9165-65.70000110.8L175 L180 L181 Y182 T186 R187 L188L175-C184 HydrophobicContact CD1-CB 3.61Å; L180-C184 PolarHBondContact O-N 2.9Å; L180-C184 VanDerWaalsContact O-N 3.1Å; L181-C184 PolarHBondContact O-N 3.27Å; Y182-C184 VanDerWaalsContact C-N 3.29Å; Y182-C184 PolarHBondContact O-N 3.27Å; C184-T186 PolarHBondContact O-N 3.25Å; C184-R187 PolarHBondContact O-N 2.94Å; C184-R187 PolarHBondContact SG-NH2 3.1Å; C184-L188 WeakPolarHBondContact O-CG 3.18Å; C184-L188 PolarHBondContact O-N 3.21Å; C184-L188 VanDerWaalsContact O-N 3.11Å
185I85.3Confident84.6Confident1 Ų156.2 Ų56.21%0.00528%0.28CS..Hα-helixtrans-61.5-40.6175.7-75173.1000112A38 F39 L175 L181 Y182 R187 L188 E189A38-I185 HydrophobicContact CB-CD1 3.39Å; F39-I185 HydrophobicContact CD1-CG2 3.71Å; F39-I185 HydrophobicContact CD2-CD1 4.03Å; F39-I185 HydrophobicContact CD2-CG1 4.37Å; F39-I185 HydrophobicContact CE1-CB 4.4Å; F39-I185 HydrophobicContact CE1-CG1 4.24Å; F39-I185 HydrophobicContact CE1-CG2 3.67Å; F39-I185 HydrophobicContact CE2-CD1 4.04Å; F39-I185 HydrophobicContact CE2-CG1 3.95Å; F39-I185 HydrophobicContact CG-CD1 4.41Å; F39-I185 HydrophobicContact CG-CG2 4.28Å; F39-I185 HydrophobicContact CZ-CB 4.49Å; F39-I185 HydrophobicContact CZ-CD1 4.42Å; F39-I185 HydrophobicContact CZ-CG1 3.88Å; F39-I185 HydrophobicContact CZ-CG2 4.2Å; L175-I185 HydrophobicContact CD1-CG1 4.2Å; L181-I185 HydrophobicContact CD1-CD1 4.11Å; L181-I185 HydrophobicContact CD1-CG1 4.48Å; L181-I185 HydrophobicContact CD2-CD1 4.48Å; L181-I185 HydrophobicContact CG-CD1 3.93Å; L181-I185 WeakPolarHBondContact O-CG1 3.37Å; L181-I185 PolarHBondContact O-N 3.39Å; Y182-I185 PolarHBondContact O-N 3Å; I185-R187 VanDerWaalsContact C-N 3.3Å; I185-R187 PolarHBondContact O-N 3.27Å; I185-L188 PolarHBondContact O-N 2.8Å; I185-E189 HydrophobicContact CG2-CG 4.3Å; I185-E189 WeakPolarHBondContact O-CG 3.42Å; I185-E189 PolarHBondContact O-N 3.38Å
186T83.1Confident84.9Confident45 Ų4556.3 Ų56.328%0.27628%0.28SS..Hα-helixtrans-57.8-43.6178.253.50000112.2Y182 G183 C184 E189 D190Y182-T186 WeakPolarHBondContact O-CG2 3.28Å; Y182-T186 PolarHBondContact O-N 3.42Å; G183-T186 WeakPolarHBondContact CA-OG1 3.4Å; G183-T186 PolarHBondContact O-OG1 3.48Å; C184-T186 PolarHBondContact O-N 3.25Å; T186-E189 PolarHBondContact O-N 2.89Å; T186-D190 PolarHBondContact O-N 2.98Å
187R85Confident85.3Confident167 Ų16756.9 Ų56.963%0.6329%0.286SS*.Hα-helixtrans-68.1-38.8177.5-66.2-178-71149.7-0.6112.4G183 C184 I185 E189 D190 E191G183-R187 PolarHBondContact O-NE 2.85Å; C184-R187 PolarHBondContact O-N 2.94Å; C184-R187 PolarHBondContact SG-NH2 3.1Å; I185-R187 VanDerWaalsContact C-N 3.3Å; I185-R187 PolarHBondContact O-N 3.27Å; R187-E189 VanDerWaalsContact C-N 3.33Å; R187-D190 PolarHBondContact O-N 3.34Å; R187-E191 PolarHBondContact O-N 3.1Å
188L88.3Confident86Confident9 Ų957.8 Ų57.85%0.04729%0.292CS..Hα-helixtrans-63.1-39.5172.6-67.9175.8000111.6F39 I138 F173 L175 C184 I185 D190 E191 F192F39-L188 HydrophobicContact CZ-CD1 4.24Å; I138-L188 HydrophobicContact CG2-CD1 4.46Å; F173-L188 HydrophobicContact CB-CD2 3.66Å; F173-L188 HydrophobicContact CD1-CD2 3.8Å; F173-L188 HydrophobicContact CG-CD2 3.74Å; L175-L188 HydrophobicContact CB-CD1 4.39Å; L175-L188 HydrophobicContact CD1-CD1 3.96Å; L175-L188 HydrophobicContact CD2-CD1 4.23Å; L175-L188 HydrophobicContact CG-CD1 4.43Å; C184-L188 WeakPolarHBondContact O-CG 3.18Å; C184-L188 PolarHBondContact O-N 3.21Å; C184-L188 VanDerWaalsContact O-N 3.11Å; I185-L188 PolarHBondContact O-N 2.8Å; L188-D190 VanDerWaalsContact C-N 3.27Å; L188-D190 PolarHBondContact O-N 3.38Å; L188-E191 PolarHBondContact O-N 3.39Å; L188-F192 HydrophobicContact CB-CE1 4.2Å; L188-F192 HydrophobicContact CB-CZ 4.15Å; L188-F192 WeakPolarHBondContact O-CB 3.48Å; L188-F192 WeakPolarHBondContact O-CD1 3.32Å; L188-F192 WeakPolarHBondContact O-CG 3.27Å; L188-F192 PolarHBondContact O-N 3.16Å
189E88.4Confident86.7Confident11 Ų1156.7 Ų56.75%0.05128%0.284CS..Hα-helixtrans-65-28.2178.7-77.1-174.6166.400113.4F39 R47 F50 F52 I185 T186 R187 F192 R193F39-E189 HydrophobicContact CD1-CG 4.25Å; F39-E189 HydrophobicContact CE1-CG 4.07Å; R47-E189 IonicContact CZ-OE2 2.72Å; R47-E189 IonicContact NH1-OE2 3.18Å; R47-E189 PolarHBondContact NH1-OE2 2.96Å; F50-E189 HydrophobicContact CD2-CG 4.43Å; F50-E189 HydrophobicContact CE2-CB 4.03Å; F50-E189 HydrophobicContact CE2-CG 4.29Å; F50-E189 WeakPolarHBondContact CE2-O 3.15Å; F50-E189 VanDerWaalsContact CZ-O 3.24Å; F50-E189 WeakPolarHBondContact CZ-O 3.41Å; F52-E189 HydrophobicContact CZ-CG 4.5Å; I185-E189 HydrophobicContact CG2-CG 4.3Å; I185-E189 WeakPolarHBondContact O-CG 3.42Å; I185-E189 PolarHBondContact O-N 3.38Å; T186-E189 PolarHBondContact O-N 2.89Å; R187-E189 VanDerWaalsContact C-N 3.33Å; E189-F192 WeakPolarHBondContact O-CB 3.28Å; E189-R193 PolarHBondContact O-N 2.57Å
190D87.4Confident87.8Confident67 Ų6748.5 Ų48.536%0.35824%0.241SC..Hα-helixtrans-78.4-38.7174.8-65.9-45.5000112T186 R187 L188 F192 R193 D194T186-D190 PolarHBondContact O-N 2.98Å; R187-D190 PolarHBondContact O-N 3.34Å; L188-D190 VanDerWaalsContact C-N 3.27Å; L188-D190 PolarHBondContact O-N 3.38Å; D190-F192 VanDerWaalsContact C-N 3.29Å; D190-F192 PolarHBondContact O-N 3.43Å; D190-R193 WeakPolarHBondContact O-CB 3.5Å; D190-R193 PolarHBondContact O-N 2.89Å; D190-R193 VanDerWaalsContact O-N 3.11Å; D190-R193 IonicContact OD1-CZ 3.9Å; D190-R193 IonicContact OD1-NE 2.61Å; D190-R193 PolarHBondContact OD1-NE 2.95Å; D190-R193 IonicContact OD1-NH2 3.29Å; D190-R193 PolarHBondContact OD1-NH2 3.21Å; D190-D194 PolarHBondContact O-N 2.85Å
191E89.3Confident88.6Confident97 Ų9746.8 Ų46.845%0.45323%0.229SC..Hα-helixtrans-60.8-38.2167.1-71.3-73.1166.100112F173 R187 L188 R193 D194 M195F173-E191 HydrophobicContact CE1-CB 4.11Å; F173-E191 HydrophobicContact CE1-CG 3.75Å; F173-E191 HydrophobicContact CZ-CB 3.97Å; F173-E191 HydrophobicContact CZ-CG 4.05Å; R187-E191 PolarHBondContact O-N 3.1Å; L188-E191 PolarHBondContact O-N 3.39Å; E191-R193 VanDerWaalsContact C-N 3.31Å; E191-R193 PolarHBondContact O-N 3.38Å; E191-D194 PolarHBondContact O-N 2.94Å; E191-M195 HydrophobicContact CB-CE 4.38Å; E191-M195 WeakPolarHBondContact O-CB 3.4Å; E191-M195 WeakPolarHBondContact O-CG 3.48Å; E191-M195 PolarHBondContact O-N 2.96Å
192F91.2Very high89.2Confident0 Ų049.9 Ų49.90%025%0.246CC..Hα-helixtrans-64-36.1173.9-67.5-0.2000111.7I19 F21 F39 F50 F52 F96 I138 L188 E189 D190 M195 A196I19-F192 HydrophobicContact CD1-CB 3.94Å; I19-F192 HydrophobicContact CD1-CD2 3.98Å; I19-F192 HydrophobicContact CD1-CG 4.21Å; F21-F192 HydrophobicContact CE1-CE2 4.01Å; F21-F192 HydrophobicContact CE1-CZ 4.45Å; F21-F192 HydrophobicContact CZ-CE2 4.05Å; F39-F192 HydrophobicContact CE1-CD2 4.41Å; F39-F192 AromaticContact CE1-CE2 3.6Å; F39-F192 HydrophobicContact CE1-CE2 3.6Å; F39-F192 HydrophobicContact CE1-CZ 4.3Å; F39-F192 AromaticContact CZ-CE2 3.95Å; F39-F192 HydrophobicContact CZ-CE2 3.95Å; F39-F192 HydrophobicContact CZ-CZ 4.22Å; F50-F192 HydrophobicContact CE1-CB 4.12Å; F50-F192 HydrophobicContact CE2-CB 4.46Å; F50-F192 HydrophobicContact CZ-CB 3.96Å; F52-F192 HydrophobicContact CE1-CD2 4.11Å; F52-F192 HydrophobicContact CE1-CE2 4.17Å; F52-F192 HydrophobicContact CZ-CD2 4.42Å; F96-F192 HydrophobicContact CE1-CB 4.14Å; F96-F192 HydrophobicContact CE1-CG 4.45Å; F96-F192 AromaticContact CE2-CD1 3.95Å; F96-F192 HydrophobicContact CE2-CD1 3.95Å; F96-F192 HydrophobicContact CE2-CE1 4.15Å; F96-F192 HydrophobicContact CE2-CG 4.33Å; F96-F192 HydrophobicContact CZ-CB 3.7Å; F96-F192 AromaticContact CZ-CD1 3.52Å; F96-F192 HydrophobicContact CZ-CD1 3.52Å; F96-F192 HydrophobicContact CZ-CD2 4.18Å; F96-F192 HydrophobicContact CZ-CE1 4.16Å; F96-F192 AromaticContact CZ-CG 3.54Å; F96-F192 HydrophobicContact CZ-CG 3.54Å; I138-F192 HydrophobicContact CD1-CE1 3.94Å; I138-F192 HydrophobicContact CD1-CZ 3.64Å; L188-F192 HydrophobicContact CB-CE1 4.2Å; L188-F192 HydrophobicContact CB-CZ 4.15Å; L188-F192 WeakPolarHBondContact O-CB 3.48Å; L188-F192 WeakPolarHBondContact O-CD1 3.32Å; L188-F192 WeakPolarHBondContact O-CG 3.27Å; L188-F192 PolarHBondContact O-N 3.16Å; E189-F192 WeakPolarHBondContact O-CB 3.28Å; D190-F192 VanDerWaalsContact C-N 3.29Å; D190-F192 PolarHBondContact O-N 3.43Å; F192-M195 HydrophobicContact CD1-CE 3.97Å; F192-A196 VanDerWaalsContact O-CB 3.25Å; F192-A196 WeakPolarHBondContact O-CB 3.44Å; F192-A196 PolarHBondContact O-N 3.39Å
193R89.8Confident89.8Confident92 Ų9245.5 Ų45.535%0.34723%0.229SC..Hα-helixtrans-60.4-52.1176.6-164.9-167.3-60-104.35110.2D48 F50 E189 D190 E191 A196 A197D48-R193 IonicContact OD2-NH1 3.49Å; D48-R193 PolarHBondContact OD2-NH1 3.06Å; D48-R193 VanDerWaalsContact OD2-NH1 3.08Å; F50-R193 HydrophobicContact CZ-CB 3.97Å; E189-R193 PolarHBondContact O-N 2.57Å; D190-R193 WeakPolarHBondContact O-CB 3.5Å; D190-R193 PolarHBondContact O-N 2.89Å; D190-R193 VanDerWaalsContact O-N 3.11Å; D190-R193 IonicContact OD1-CZ 3.9Å; D190-R193 IonicContact OD1-NE 2.61Å; D190-R193 PolarHBondContact OD1-NE 2.95Å; D190-R193 IonicContact OD1-NH2 3.29Å; D190-R193 PolarHBondContact OD1-NH2 3.21Å; E191-R193 VanDerWaalsContact C-N 3.31Å; E191-R193 PolarHBondContact O-N 3.38Å; R193-A196 PolarHBondContact O-N 3.04Å; R193-A197 VanDerWaalsContact O-CB 3.28Å; R193-A197 WeakPolarHBondContact O-CB 3.34Å; R193-A197 PolarHBondContact O-N 3.46Å
194D90.4Very high90.5Very high99 Ų9944.5 Ų44.553%0.52922%0.218SC..Hα-helixtrans-67.5-39.6-179.9-84.2-13000112.3D190 E191 A196 N198D190-D194 PolarHBondContact O-N 2.85Å; E191-D194 PolarHBondContact O-N 2.94Å; D194-A196 PolarHBondContact O-N 3.44Å; D194-N198 VanDerWaalsContact O-CB 3.28Å; D194-N198 WeakPolarHBondContact O-CB 3.49Å; D194-N198 PolarHBondContact O-N 3.49Å; D194-N198 PolarHBondContact O-ND2 2.99Å
195M90.8Very high91Very high11 Ų1150.3 Ų50.35%0.05424%0.241CC..Hα-helixtrans-62.4-41174.6-75.3-167.8-79.300112.6F96 V136 F173 E191 F192 Y199F96-M195 HydrophobicContact CD1-CB 3.97Å; F96-M195 HydrophobicContact CE1-CB 3.98Å; F96-M195 HydrophobicContact CE2-CE 4.35Å; F96-M195 HydrophobicContact CZ-CE 4.31Å; V136-M195 HydrophobicContact CG1-CE 4.47Å; V136-M195 HydrophobicContact CG2-CE 3.91Å; V136-M195 HydrophobicContact CG2-SD 3.55Å; V136-M195 VanDerWaalsContact CG2-SD 3.55Å; F173-M195 HydrophobicContact CE2-CE 3.85Å; F173-M195 HydrophobicContact CZ-CE 4.12Å; E191-M195 HydrophobicContact CB-CE 4.38Å; E191-M195 WeakPolarHBondContact O-CB 3.4Å; E191-M195 WeakPolarHBondContact O-CG 3.48Å; E191-M195 PolarHBondContact O-N 2.96Å; F192-M195 HydrophobicContact CD1-CE 3.97Å; M195-Y199 PolarHBondContact O-N 2.9Å; M195-Y199 VanDerWaalsContact O-N 3.17Å
196A92.7Very high91.3Very high2 Ų255.4 Ų55.42%0.01726%0.264CS..Hα-helixtrans-71.7-44.7177.600000112.9P17 A95 F96 F192 R193 D194 N198 Y199 Y200P17-A196 HydrophobicContact CB-CB 3.95Å; P17-A196 HydrophobicContact CG-CB 4.33Å; A95-A196 HydrophobicContact CB-CB 4.04Å; F96-A196 HydrophobicContact CE1-CB 4.49Å; F192-A196 VanDerWaalsContact O-CB 3.25Å; F192-A196 WeakPolarHBondContact O-CB 3.44Å; F192-A196 PolarHBondContact O-N 3.39Å; R193-A196 PolarHBondContact O-N 3.04Å; D194-A196 PolarHBondContact O-N 3.44Å; A196-N198 VanDerWaalsContact C-N 3.32Å; A196-N198 PolarHBondContact O-N 3.48Å; A196-Y199 WeakPolarHBondContact O-CB 3.36Å; A196-Y199 PolarHBondContact O-N 3.31Å; A196-Y199 VanDerWaalsContact O-N 3.14Å; A196-Y200 WeakPolarHBondContact O-CD2 3.44Å; A196-Y200 PolarHBondContact O-N 3.37Å
197A92.4Very high91.7Very high19 Ų1954.2 Ų54.216%0.15726%0.256CS..Hα-helixtrans-60.3-42.5177.400000111.4R193 Y200 H201 K237R193-A197 VanDerWaalsContact O-CB 3.28Å; R193-A197 WeakPolarHBondContact O-CB 3.34Å; R193-A197 PolarHBondContact O-N 3.46Å; A197-Y200 PolarHBondContact O-N 3.36Å; A197-H201 VanDerWaalsContact O-CB 3.23Å; A197-H201 WeakPolarHBondContact O-CB 3.3Å; A197-H201 PolarHBondContact O-N 2.85Å; A197-K237 HydrophobicContact CB-CG 3.91Å
198N92.9Very high92.1Very high78 Ų7851.1 Ų51.142%0.41725%0.247SC..Hα-helixtrans-63.3-38.9173.9-83.8-74.4000112.8D194 A196 N202D194-N198 VanDerWaalsContact O-CB 3.28Å; D194-N198 WeakPolarHBondContact O-CB 3.49Å; D194-N198 PolarHBondContact O-N 3.49Å; D194-N198 PolarHBondContact O-ND2 2.99Å; A196-N198 VanDerWaalsContact C-N 3.32Å; A196-N198 PolarHBondContact O-N 3.48Å; N198-N202 WeakPolarHBondContact O-CB 3.46Å; N198-N202 PolarHBondContact O-N 3.47Å; N198-N202 VanDerWaalsContact O-N 3.09Å; N198-N202 PolarHBondContact O-ND2 3.16Å; N198-N202 VanDerWaalsContact O-ND2 3.15Å
199Y95.1Very high92.3Very high12 Ų1253.7 Ų53.75%0.04727%0.27CS..Hα-helixtrans-61.9-53.6175.6172.7-93.5000111.4I93 A95 E132 M195 A196 H201 N202 Q203I93-Y199 VanDerWaalsContact CG2-OH 3.28Å; I93-Y199 WeakPolarHBondContact CG2-OH 3.31Å; A95-Y199 HydrophobicContact CB-CD1 3.65Å; A95-Y199 HydrophobicContact CB-CE1 4.29Å; A95-Y199 HydrophobicContact CB-CG 3.96Å; A95-Y199 WeakPolarHBondContact O-CD2 3.42Å; E132-Y199 HydrophobicContact CB-CE2 4.33Å; M195-Y199 PolarHBondContact O-N 2.9Å; M195-Y199 VanDerWaalsContact O-N 3.17Å; A196-Y199 WeakPolarHBondContact O-CB 3.36Å; A196-Y199 PolarHBondContact O-N 3.31Å; A196-Y199 VanDerWaalsContact O-N 3.14Å; Y199-H201 VanDerWaalsContact C-N 3.35Å; Y199-H201 PolarHBondContact O-N 3Å; Y199-N202 PolarHBondContact O-N 2.92Å; Y199-Q203 HydrophobicContact CD1-CG 4.33Å; Y199-Q203 HydrophobicContact CE1-CG 3.91Å; Y199-Q203 HydrophobicContact CE2-CG 4.27Å; Y199-Q203 WeakPolarHBondContact O-CG 3.4Å; Y199-Q203 PolarHBondContact O-N 2.84Å
200Y95.4Very high92.3Very high1 Ų155.6 Ų55.60%0.00428%0.278CS..Hα-helixtrans-68.2-32.9-178.5-65.4-62.1000112.7P17 L18 A95 A196 A197 N202 Q203 A204 Y233 L236P17-Y200 HydrophobicContact CB-CE2 3.93Å; P17-Y200 HydrophobicContact CG-CE2 4.4Å; L18-Y200 PolarHBondContact N-OH 2.87Å; A95-Y200 HydrophobicContact CB-CE2 3.89Å; A196-Y200 WeakPolarHBondContact O-CD2 3.44Å; A196-Y200 PolarHBondContact O-N 3.37Å; A197-Y200 PolarHBondContact O-N 3.36Å; Y200-N202 PolarHBondContact O-N 2.92Å; Y200-Q203 PolarHBondContact O-N 3.43Å; Y200-A204 WeakPolarHBondContact O-CB 3.41Å; Y200-A204 PolarHBondContact O-N 3.33Å; Y200-Y233 AromaticContact CD1-CD1 3.78Å; Y200-Y233 HydrophobicContact CD1-CD1 3.78Å; Y200-Y233 HydrophobicContact CD1-CE1 4.2Å; Y200-Y233 HydrophobicContact CE1-CD1 4.47Å; Y200-L236 HydrophobicContact CD1-CB 3.92Å; Y200-L236 HydrophobicContact CD1-CD1 4.1Å; Y200-L236 HydrophobicContact CD2-CB 3.83Å; Y200-L236 HydrophobicContact CE1-CB 4Å; Y200-L236 HydrophobicContact CE1-CD1 3.74Å; Y200-L236 HydrophobicContact CE1-CG 4.31Å; Y200-L236 HydrophobicContact CE2-CB 3.91Å; Y200-L236 HydrophobicContact CG-CB 3.83Å
201H95Very high92.4Very high90 Ų9053.4 Ų53.442%0.41727%0.266SS..Hα-helixtrans-58.5-45.5170.1178.881.1000111.9A197 Y199 A204 K205A197-H201 VanDerWaalsContact O-CB 3.23Å; A197-H201 WeakPolarHBondContact O-CB 3.3Å; A197-H201 PolarHBondContact O-N 2.85Å; Y199-H201 VanDerWaalsContact C-N 3.35Å; Y199-H201 PolarHBondContact O-N 3Å; H201-A204 PolarHBondContact O-N 2.94Å; H201-K205 WeakPolarHBondContact O-CB 3.45Å; H201-K205 PolarHBondContact O-N 3.46Å
202N94.6Very high92.4Very high76 Ų7653.5 Ų53.541%0.40627%0.269SS..Hα-helixtrans-67.3-38.4178.2-74.4-32.6000112.5N198 Y199 Y200 K205 K206N198-N202 WeakPolarHBondContact O-CB 3.46Å; N198-N202 PolarHBondContact O-N 3.47Å; N198-N202 VanDerWaalsContact O-N 3.09Å; N198-N202 PolarHBondContact O-ND2 3.16Å; N198-N202 VanDerWaalsContact O-ND2 3.15Å; Y199-N202 PolarHBondContact O-N 2.92Å; Y200-N202 PolarHBondContact O-N 2.92Å; N202-K205 PolarHBondContact O-N 3.35Å; N202-K206 PolarHBondContact O-N 3.38Å
203Q93.8Very high92.1Very high28 Ų2857.6 Ų57.613%0.13130%0.298CS..Hα-helixtrans-64.3-42.2173.3-63-52-48.900111.9E132 Y199 Y200 K206 V207 Y233E132-Q203 PolarHBondContact OE2-NE2 3.37Å; Y199-Q203 HydrophobicContact CD1-CG 4.33Å; Y199-Q203 HydrophobicContact CE1-CG 3.91Å; Y199-Q203 HydrophobicContact CE2-CG 4.27Å; Y199-Q203 WeakPolarHBondContact O-CG 3.4Å; Y199-Q203 PolarHBondContact O-N 2.84Å; Y200-Q203 PolarHBondContact O-N 3.43Å; Q203-K206 PolarHBondContact O-N 2.73Å; Q203-V207 WeakPolarHBondContact O-CG2 3.39Å; Q203-V207 PolarHBondContact O-N 3.02Å; Q203-V207 VanDerWaalsContact O-N 3.07Å; Q203-Y233 HydrophobicContact CB-CD1 4.47Å; Q203-Y233 HydrophobicContact CB-CD2 4.03Å; Q203-Y233 HydrophobicContact CB-CE1 4.1Å; Q203-Y233 HydrophobicContact CB-CE2 3.57Å; Q203-Y233 HydrophobicContact CB-CG 4.44Å
204A95.1Very high92Very high16 Ų1653.9 Ų53.913%0.13229%0.285CS..Hα-helixtrans-62-44173.700000112Y200 H201 K206 V207 K208 I230 Y233Y200-A204 WeakPolarHBondContact O-CB 3.41Å; Y200-A204 PolarHBondContact O-N 3.33Å; H201-A204 PolarHBondContact O-N 2.94Å; A204-K206 VanDerWaalsContact C-N 3.3Å; A204-K206 PolarHBondContact O-N 3.11Å; A204-V207 PolarHBondContact O-N 2.73Å; A204-K208 WeakPolarHBondContact O-CB 3.43Å; A204-K208 PolarHBondContact O-N 3.26Å; A204-I230 HydrophobicContact CB-CG2 4.43Å; A204-Y233 HydrophobicContact CB-CD2 4.2Å
205K94.9Very high91.6Very high135 Ų13553.3 Ų53.359%0.58728%0.282SS*.Hα-helixtrans-59.4-38176.9-172.3174.8-179.5177.90112.3H201 N202 A209H201-K205 WeakPolarHBondContact O-CB 3.45Å; H201-K205 PolarHBondContact O-N 3.46Å; N202-K205 PolarHBondContact O-N 3.35Å; K205-A209 WeakPolarHBondContact O-CB 3.37Å; K205-A209 PolarHBondContact O-N 3.25Å
206K91Very high91.1Very high109 Ų10960.4 Ų60.447%0.47431%0.313SS..Hα-helixtrans-69-44.3173.7-74.6-173.7175.1-173.50113.3E132 N202 Q203 A204 K208 A209 H210E132-K206 WeakPolarHBondContact OE1-CE 3.25Å; E132-K206 IonicContact OE1-NZ 3.83Å; E132-K206 PolarHBondContact OE1-NZ 3.37Å; E132-K206 WeakPolarHBondContact OE2-CE 3.48Å; E132-K206 IonicContact OE2-NZ 2.91Å; E132-K206 PolarHBondContact OE2-NZ 3.18Å; N202-K206 PolarHBondContact O-N 3.38Å; Q203-K206 PolarHBondContact O-N 2.73Å; A204-K206 VanDerWaalsContact C-N 3.3Å; A204-K206 PolarHBondContact O-N 3.11Å; K206-K208 VanDerWaalsContact C-N 3.25Å; K206-K208 PolarHBondContact O-N 3Å; K206-A209 PolarHBondContact O-N 3.25Å; K206-H210 WeakPolarHBondContact O-CB 3.39Å; K206-H210 PolarHBondContact O-N 3.18Å
207V92.1Very high90.4Very high20 Ų2066 Ų6612%0.12135%0.347CS..Hα-helixtrans-61.5-37.9175.6171.70000110.7Q203 A204 K211 H226 K229 I230 Y233Q203-V207 WeakPolarHBondContact O-CG2 3.39Å; Q203-V207 PolarHBondContact O-N 3.02Å; Q203-V207 VanDerWaalsContact O-N 3.07Å; A204-V207 PolarHBondContact O-N 2.73Å; V207-K211 WeakPolarHBondContact O-CB 3.44Å; V207-K211 PolarHBondContact O-N 3.01Å; V207-H226 HydrophobicContact CG1-CB 3.83Å; V207-H226 WeakPolarHBondContact CG1-O 3.26Å; V207-H226 PolarHBondContact O-CD2 3.25Å; V207-K229 HydrophobicContact CG1-CB 3.81Å; V207-K229 HydrophobicContact CG1-CD 4.47Å; V207-I230 HydrophobicContact CB-CG1 4.14Å; V207-I230 HydrophobicContact CG1-CD1 4.2Å; V207-I230 HydrophobicContact CG1-CG1 3.71Å; V207-Y233 HydrophobicContact CG2-CE2 3.87Å
208K93.8Very high89.8Confident101 Ų10167.7 Ų67.744%0.43936%0.357SS..Hα-helixtrans-66.1-52172.9-177.9171.2178.8179.80112.5A204 K206 H210 K211 D212 I230A204-K208 WeakPolarHBondContact O-CB 3.43Å; A204-K208 PolarHBondContact O-N 3.26Å; K206-K208 VanDerWaalsContact C-N 3.25Å; K206-K208 PolarHBondContact O-N 3Å; K208-H210 PolarHBondContact O-N 3.48Å; K208-K211 WeakPolarHBondContact O-CA 3.33Å; K208-K211 WeakPolarHBondContact O-CB 3.37Å; K208-K211 PolarHBondContact O-N 3.24Å; K208-D212 WeakPolarHBondContact CE-OD2 3.4Å; K208-D212 VanDerWaalsContact CG-OD2 3.31Å; K208-D212 WeakPolarHBondContact CG-OD2 3.29Å; K208-D212 VanDerWaalsContact O-CG 3.23Å; K208-D212 PolarHBondContact O-N 3.11Å; K208-I230 HydrophobicContact CB-CD1 3.84Å; K208-I230 HydrophobicContact CB-CG1 4.5Å; K208-I230 HydrophobicContact CG-CD1 4.47Å
209A91.6Very high89.5Confident63 Ų6364.1 Ų64.152%0.52134%0.338SS..Hα-helixtrans-57.6-36.6178.100000112.6K205 K206 S213K205-A209 WeakPolarHBondContact O-CB 3.37Å; K205-A209 PolarHBondContact O-N 3.25Å; K206-A209 PolarHBondContact O-N 3.25Å; A209-S213 PolarHBondContact O-N 2.84Å
210H88.3Confident89.1Confident51 Ų5167.1 Ų67.124%0.23635%0.353CS..Hα-helixtrans-67-47.3171.8-174.7-96000111.8Y72 K206 K208 D212 S213 L214 H226Y72-H210 AromaticContact CD2-NE2 3.77Å; Y72-H210 AromaticContact CE1-CE1 3.96Å; Y72-H210 AromaticContact CE1-NE2 3.93Å; Y72-H210 AromaticContact CE2-NE2 3.48Å; Y72-H210 WeakPolarHBondContact CE2-NE2 3.35Å; Y72-H210 AromaticContact CZ-CE1 4Å; Y72-H210 AromaticContact CZ-NE2 3.57Å; K206-H210 WeakPolarHBondContact O-CB 3.39Å; K206-H210 PolarHBondContact O-N 3.18Å; K208-H210 PolarHBondContact O-N 3.48Å; H210-D212 VanDerWaalsContact C-N 3.3Å; H210-D212 PolarHBondContact O-N 3.25Å; H210-S213 PolarHBondContact O-N 3.25Å; H210-S213 VanDerWaalsContact O-N 3.08Å; H210-S213 PolarHBondContact O-OG 3.12Å; H210-L214 WeakPolarHBondContact O-CG 3.25Å; H210-H226 AromaticContact CE1-CE1 3.95Å; H210-H226 AromaticContact CE1-NE2 3.63Å; H210-H226 AromaticContact CG-NE2 3.95Å; H210-H226 AromaticContact ND1-CD2 3.7Å; H210-H226 AromaticContact ND1-CE1 3.53Å; H210-H226 AromaticContact ND1-NE2 2.91Å; H210-H226 PolarHBondContact ND1-NE2 3.31Å
211K89.7Confident88.8Confident21 Ų2168.1 Ų68.19%0.09136%0.358CS..Hα-helixtrans-54.7-44.9175.3-177.5-140.5171.5-171.60112.2V207 K208 S213 L214 F223 H226 E227V207-K211 WeakPolarHBondContact O-CB 3.44Å; V207-K211 PolarHBondContact O-N 3.01Å; K208-K211 WeakPolarHBondContact O-CA 3.33Å; K208-K211 WeakPolarHBondContact O-CB 3.37Å; K208-K211 PolarHBondContact O-N 3.24Å; K211-S213 PolarHBondContact O-N 3.38Å; K211-L214 WeakPolarHBondContact O-CB 3.36Å; K211-L214 PolarHBondContact O-N 2.96Å; K211-F223 HydrophobicContact CD-CD1 4.35Å; K211-F223 HydrophobicContact CD-CE1 4.46Å; K211-F223 HydrophobicContact CG-CD1 4.04Å; K211-F223 HydrophobicContact CG-CE1 4.08Å; K211-H226 HydrophobicContact CB-CB 3.75Å; K211-H226 HydrophobicContact CG-CB 3.98Å; K211-E227 VanDerWaalsContact CD-OE1 3.3Å; K211-E227 WeakPolarHBondContact CD-OE1 3.49Å; K211-E227 WeakPolarHBondContact CE-OE1 3.45Å; K211-E227 IonicContact NZ-OE1 3.66Å; K211-E227 PolarHBondContact NZ-OE1 3.4Å
212D89.3Confident88.5Confident99 Ų9964.1 Ų64.153%0.52934%0.34SS..Hα-helixtrans-68-16.5-177.8-61.8-21.3000112.1K208 H210K208-D212 WeakPolarHBondContact CE-OD2 3.4Å; K208-D212 VanDerWaalsContact CG-OD2 3.31Å; K208-D212 WeakPolarHBondContact CG-OD2 3.29Å; K208-D212 VanDerWaalsContact O-CG 3.23Å; K208-D212 PolarHBondContact O-N 3.11Å; H210-D212 VanDerWaalsContact C-N 3.3Å; H210-D212 PolarHBondContact O-N 3.25Å
213S86.1Confident88.4Confident87 Ų8761 Ų6161%0.60832%0.323SS*.THydrogen-bonded Turntrans-89.91.9171.972.90000115.2A209 H210 K211A209-S213 PolarHBondContact O-N 2.84Å; H210-S213 PolarHBondContact O-N 3.25Å; H210-S213 VanDerWaalsContact O-N 3.08Å; H210-S213 PolarHBondContact O-OG 3.12Å; K211-S213 PolarHBondContact O-N 3.38Å
214L86.2Confident88.3Confident13 Ų1359.7 Ų59.77%0.06832%0.316CS..SBendtrans-94.4140.6-177.5-62176.1000112.6H210 K211 K216 H219 L222 F223H210-L214 WeakPolarHBondContact O-CG 3.25Å; K211-L214 WeakPolarHBondContact O-CB 3.36Å; K211-L214 PolarHBondContact O-N 2.96Å; L214-K216 PolarHBondContact O-N 2.75Å; L214-H219 HydrophobicContact CB-CB 4.31Å; L214-L222 HydrophobicContact CD1-CB 3.48Å; L214-L222 VanDerWaalsContact CD1-CB 3.48Å; L214-L222 HydrophobicContact CD1-CD1 3.81Å; L214-L222 HydrophobicContact CD1-CG 4.28Å; L214-L222 HydrophobicContact CD2-CD1 3.99Å; L214-F223 HydrophobicContact CB-CE2 3.59Å; L214-F223 HydrophobicContact CB-CZ 3.96Å; L214-F223 WeakPolarHBondContact O-CZ 3.38Å
215N82.6Confident88.2Confident88 Ų8860.4 Ų60.447%0.47132%0.316SS..  trans-66.3122.8166.9-179.9-18.3000110.5T217 S218 H219N215-T217 VanDerWaalsContact C-N 3.27Å; N215-T217 PolarHBondContact O-N 2.74Å; N215-T217 PolarHBondContact OD1-N 3.27Å; N215-S218 WeakPolarHBondContact CB-OG 3.49Å; N215-H219 WeakPolarHBondContact O-CB 3.27Å; N215-H219 PolarHBondContact O-N 3.09Å
216K80.5Confident88.2Confident160 Ų16054.9 Ų54.970%0.69629%0.292SS*.THydrogen-bonded Turntrans-59.5-34.1-179.1-69.1-177.2178.6-177.90113.4L214 Q220 F223L214-K216 PolarHBondContact O-N 2.75Å; K216-Q220 WeakPolarHBondContact O-CG 3.35Å; K216-F223 HydrophobicContact CB-CE2 4.48Å; K216-F223 HydrophobicContact CB-CZ 4.42Å; K216-F223 HydrophobicContact CG-CE1 4.02Å; K216-F223 HydrophobicContact CG-CE2 4.22Å; K216-F223 HydrophobicContact CG-CZ 3.69Å
217T78.7Confident88.5Confident118 Ų11849.8 Ų49.872%0.72427%0.27SS*.THydrogen-bonded Turntrans-81.3-46.4-172.4-47.90000112.1N215N215-T217 VanDerWaalsContact C-N 3.27Å; N215-T217 PolarHBondContact O-N 2.74Å; N215-T217 PolarHBondContact OD1-N 3.27Å
218S79.3Confident88.7Confident55 Ų5548.9 Ų48.939%0.38526%0.264SS..THydrogen-bonded Turntrans-85-14.4-177.156.90000114.2N215N215-S218 WeakPolarHBondContact CB-OG 3.49Å
219H85.4Confident88.8Confident4 Ų445.8 Ų45.82%0.01925%0.251CS..  trans-126.325.6-171.5-52.8-34.8000114.3Y72 L214 N215 L221 L222 F223Y72-H219 PolarHBondContact O-CE1 3.38Å; Y72-H219 PolarHBondContact O-NE2 3.13Å; Y72-H219 VanDerWaalsContact O-NE2 3.15Å; L214-H219 HydrophobicContact CB-CB 4.31Å; N215-H219 WeakPolarHBondContact O-CB 3.27Å; N215-H219 PolarHBondContact O-N 3.09Å; H219-L221 VanDerWaalsContact C-N 3.26Å; H219-L221 PolarHBondContact O-N 3.1Å; H219-L221 VanDerWaalsContact O-N 3.09Å; H219-L222 HydrophobicContact CB-CB 4.17Å; H219-L222 HydrophobicContact CB-CD1 4.01Å; H219-L222 HydrophobicContact CB-CG 4.13Å; H219-L222 WeakPolarHBondContact O-CA 3.43Å; H219-L222 VanDerWaalsContact O-CB 3.25Å; H219-L222 WeakPolarHBondContact O-CB 3.46Å; H219-L222 PolarHBondContact O-N 2.79Å; H219-F223 PolarHBondContact O-N 2.89Å
220Q87.9Confident89.1Confident74 Ų7443.1 Ų43.135%0.34623%0.227SC..Hα-helixtrans-46.6-43.8-177.4-60.3-179.7-3700114K216 L222 F223 V224 L257K216-Q220 WeakPolarHBondContact O-CG 3.35Å; Q220-L222 PolarHBondContact O-N 3.07Å; Q220-F223 WeakPolarHBondContact O-CB 3.19Å; Q220-F223 PolarHBondContact O-N 2.76Å; Q220-V224 PolarHBondContact O-N 3.48Å; Q220-L257 HydrophobicContact CB-CD2 3.42Å; Q220-L257 VanDerWaalsContact CB-CD2 3.42Å; Q220-L257 HydrophobicContact CG-CD2 4.38Å
221L88.7Confident89.5Confident23 Ų2340.7 Ų40.712%0.1222%0.216CC..Hα-helixtrans-66-25.7178.4-49.2-169.7000113.5P77 I80 H219 R225 L257P77-L221 HydrophobicContact CB-CB 4.22Å; I80-L221 HydrophobicContact CD1-CD2 4.3Å; I80-L221 HydrophobicContact CG1-CB 4.26Å; I80-L221 HydrophobicContact CG1-CD1 4.11Å; I80-L221 HydrophobicContact CG1-CD2 4Å; I80-L221 HydrophobicContact CG1-CG 4.36Å; H219-L221 VanDerWaalsContact C-N 3.26Å; H219-L221 PolarHBondContact O-N 3.1Å; H219-L221 VanDerWaalsContact O-N 3.09Å; L221-R225 WeakPolarHBondContact O-CB 3.34Å; L221-R225 PolarHBondContact O-N 3.35Å; L221-R225 VanDerWaalsContact O-N 3.12Å; L221-L257 HydrophobicContact CD2-CD1 3.51Å; L221-L257 HydrophobicContact CD2-CD2 3.59Å; L221-L257 HydrophobicContact CD2-CG 4.17Å
222L88.7Confident89.8Confident5 Ų539.7 Ų39.73%0.02621%0.212CC..Hα-helixtrans-72.1-36.6169.7-58.2-170000111Y72 P77 L214 H219 Q220 R225 H226Y72-L222 HydrophobicContact CD1-CD1 4.28Å; P77-L222 HydrophobicContact CB-CD2 3.98Å; P77-L222 HydrophobicContact CB-CG 4.18Å; P77-L222 HydrophobicContact CG-CD1 4.28Å; P77-L222 HydrophobicContact CG-CD2 4.11Å; P77-L222 HydrophobicContact CG-CG 3.75Å; L214-L222 HydrophobicContact CD1-CB 3.48Å; L214-L222 VanDerWaalsContact CD1-CB 3.48Å; L214-L222 HydrophobicContact CD1-CD1 3.81Å; L214-L222 HydrophobicContact CD1-CG 4.28Å; L214-L222 HydrophobicContact CD2-CD1 3.99Å; H219-L222 HydrophobicContact CB-CB 4.17Å; H219-L222 HydrophobicContact CB-CD1 4.01Å; H219-L222 HydrophobicContact CB-CG 4.13Å; H219-L222 WeakPolarHBondContact O-CA 3.43Å; H219-L222 VanDerWaalsContact O-CB 3.25Å; H219-L222 WeakPolarHBondContact O-CB 3.46Å; H219-L222 PolarHBondContact O-N 2.79Å; Q220-L222 PolarHBondContact O-N 3.07Å; L222-R225 PolarHBondContact O-N 3.4Å; L222-H226 WeakPolarHBondContact O-CB 3.49Å; L222-H226 PolarHBondContact O-N 2.96Å; L222-H226 PolarHBondContact O-ND1 2.87Å
223F91.8Very high90.2Very high12 Ų1235.3 Ų35.35%0.05319%0.188CC..Hα-helixtrans-58.7-50.9175.5-80.8-101.8000110.9K211 L214 K216 H219 Q220 R225 H226 E227 H253K211-F223 HydrophobicContact CD-CD1 4.35Å; K211-F223 HydrophobicContact CD-CE1 4.46Å; K211-F223 HydrophobicContact CG-CD1 4.04Å; K211-F223 HydrophobicContact CG-CE1 4.08Å; L214-F223 HydrophobicContact CB-CE2 3.59Å; L214-F223 HydrophobicContact CB-CZ 3.96Å; L214-F223 WeakPolarHBondContact O-CZ 3.38Å; K216-F223 HydrophobicContact CB-CE2 4.48Å; K216-F223 HydrophobicContact CB-CZ 4.42Å; K216-F223 HydrophobicContact CG-CE1 4.02Å; K216-F223 HydrophobicContact CG-CE2 4.22Å; K216-F223 HydrophobicContact CG-CZ 3.69Å; H219-F223 PolarHBondContact O-N 2.89Å; Q220-F223 WeakPolarHBondContact O-CB 3.19Å; Q220-F223 PolarHBondContact O-N 2.76Å; F223-R225 VanDerWaalsContact C-N 3.35Å; F223-R225 PolarHBondContact O-N 2.67Å; F223-H226 PolarHBondContact O-N 3.14Å; F223-E227 WeakPolarHBondContact O-CG 3.37Å; F223-E227 PolarHBondContact O-N 2.97Å; F223-H253 HydrophobicContact CB-CB 4.35Å; F223-H253 AromaticContact CD1-CD2 3.99Å; F223-H253 AromaticContact CD1-NE2 3.77Å
224V93.2Very high90.6Very high0 Ų031.4 Ų31.40%016%0.161CC..Hα-helixtrans-53.9-49.1173.4-179.20000111.6I80 Q220 H226 F228 H253 L254 L257 V270 I274I80-V224 HydrophobicContact CG2-CB 4.18Å; I80-V224 HydrophobicContact CG2-CG1 3.7Å; Q220-V224 PolarHBondContact O-N 3.48Å; V224-H226 PolarHBondContact O-N 2.76Å; V224-F228 WeakPolarHBondContact O-CB 3.39Å; V224-F228 PolarHBondContact O-N 2.9Å; V224-H253 HydrophobicContact CG2-CB 3.88Å; V224-H253 WeakPolarHBondContact CG2-O 3.28Å; V224-L254 HydrophobicContact CG1-CB 4.1Å; V224-L254 HydrophobicContact CG1-CD1 4.13Å; V224-L254 HydrophobicContact CG2-CB 3.91Å; V224-L257 HydrophobicContact CG2-CD1 4.44Å; V224-V270 HydrophobicContact CG1-CG1 4.44Å; V224-I274 HydrophobicContact CG1-CD1 4.08Å
225R93.4Very high90.9Very high31 Ų3131.8 Ų31.812%0.11716%0.162CC..Hα-helixtrans-59.5-46.4178.5175-175.2-66.5149.611.5112.8G79 I80 L221 L222 F223 K229 F486G79-R225 VanDerWaalsContact C-NH2 3.32Å; G79-R225 PolarHBondContact O-NH2 2.92Å; I80-R225 PolarHBondContact O-NE 3.08Å; I80-R225 PolarHBondContact O-NH2 3.22Å; L221-R225 WeakPolarHBondContact O-CB 3.34Å; L221-R225 PolarHBondContact O-N 3.35Å; L221-R225 VanDerWaalsContact O-N 3.12Å; L222-R225 PolarHBondContact O-N 3.4Å; F223-R225 VanDerWaalsContact C-N 3.35Å; F223-R225 PolarHBondContact O-N 2.67Å; R225-K229 HydrophobicContact CG-CD 4.37Å; R225-K229 VanDerWaalsContact O-CG 3.26Å; R225-K229 WeakPolarHBondContact O-CG 3.35Å; R225-K229 PolarHBondContact O-N 2.95Å; R225-K229 VanDerWaalsContact O-N 3.11Å; R225-F486 VanDerWaalsContact NH2-CE1 3.25Å
226H94.8Very high91.4Very high18 Ų1827.6 Ų27.68%0.08314%0.14CC..Hα-helixtrans-74-38.2-173.9-70.481.5000110.7V207 H210 K211 L222 F223 V224 K229 I230V207-H226 HydrophobicContact CG1-CB 3.83Å; V207-H226 WeakPolarHBondContact CG1-O 3.26Å; V207-H226 PolarHBondContact O-CD2 3.25Å; H210-H226 AromaticContact CE1-CE1 3.95Å; H210-H226 AromaticContact CE1-NE2 3.63Å; H210-H226 AromaticContact CG-NE2 3.95Å; H210-H226 AromaticContact ND1-CD2 3.7Å; H210-H226 AromaticContact ND1-CE1 3.53Å; H210-H226 AromaticContact ND1-NE2 2.91Å; H210-H226 PolarHBondContact ND1-NE2 3.31Å; K211-H226 HydrophobicContact CB-CB 3.75Å; K211-H226 HydrophobicContact CG-CB 3.98Å; L222-H226 WeakPolarHBondContact O-CB 3.49Å; L222-H226 PolarHBondContact O-N 2.96Å; L222-H226 PolarHBondContact O-ND1 2.87Å; F223-H226 PolarHBondContact O-N 3.14Å; V224-H226 PolarHBondContact O-N 2.76Å; H226-K229 PolarHBondContact O-N 3.32Å; H226-I230 WeakPolarHBondContact O-CD1 3.46Å; H226-I230 VanDerWaalsContact O-CG1 3.24Å; H226-I230 WeakPolarHBondContact O-CG1 3.19Å; H226-I230 PolarHBondContact O-N 3.3Å
227E96.7Very high92Very high2 Ų223.4 Ų23.41%0.00912%0.122CC..Hα-helixtrans-60.5-47.9171.4-73-58.6136.500112.2K211 F223 K229 I230 A231 H246 Q249 A250K211-E227 VanDerWaalsContact CD-OE1 3.3Å; K211-E227 WeakPolarHBondContact CD-OE1 3.49Å; K211-E227 WeakPolarHBondContact CE-OE1 3.45Å; K211-E227 IonicContact NZ-OE1 3.66Å; K211-E227 PolarHBondContact NZ-OE1 3.4Å; F223-E227 WeakPolarHBondContact O-CG 3.37Å; F223-E227 PolarHBondContact O-N 2.97Å; E227-K229 VanDerWaalsContact C-N 3.25Å; E227-K229 PolarHBondContact O-N 2.87Å; E227-I230 PolarHBondContact O-N 2.81Å; E227-I230 VanDerWaalsContact O-N 3.16Å; E227-A231 WeakPolarHBondContact O-CB 3.38Å; E227-A231 PolarHBondContact O-N 2.84Å; E227-H246 IonicContact OE1-ND1 2.65Å; E227-H246 IonicContact OE2-CE1 3.8Å; E227-H246 IonicContact OE2-CG 2.73Å; E227-H246 IonicContact OE2-ND1 3.92Å; E227-H246 PolarHBondContact OE2-ND1 2.98Å; E227-Q249 HydrophobicContact CG-CB 4.29Å; E227-Q249 PolarHBondContact OE2-OE1 2.73Å; E227-A250 HydrophobicContact CB-CB 3.62Å
228F96.8Very high92.5Very high1 Ų120 Ų200%0.00410%0.098CC..Hα-helixtrans-54.3-42.6174-177.6-79.7000112.1L11 L81 W85 M86 V224 A231 F232 Y247 I274L11-F228 HydrophobicContact CD1-CE2 4.42Å; L11-F228 HydrophobicContact CD1-CZ 4.11Å; L81-F228 HydrophobicContact CD1-CD1 3.64Å; L81-F228 HydrophobicContact CD1-CE1 3.9Å; L81-F228 HydrophobicContact CD1-CG 4.16Å; L81-F228 HydrophobicContact CD2-CD1 4.18Å; L81-F228 HydrophobicContact CD2-CD2 4.3Å; L81-F228 HydrophobicContact CD2-CE1 3.82Å; L81-F228 HydrophobicContact CD2-CE2 3.96Å; L81-F228 HydrophobicContact CD2-CG 4.43Å; L81-F228 HydrophobicContact CD2-CZ 3.71Å; W85-F228 HydrophobicContact CZ3-CD1 4.43Å; W85-F228 HydrophobicContact CZ3-CE1 4.33Å; M86-F228 HydrophobicContact CG-CE1 4.28Å; M86-F228 HydrophobicContact SD-CE1 3.84Å; M86-F228 HydrophobicContact SD-CZ 3.72Å; V224-F228 WeakPolarHBondContact O-CB 3.39Å; V224-F228 PolarHBondContact O-N 2.9Å; F228-A231 PolarHBondContact O-N 2.82Å; F228-F232 HydrophobicContact CE1-CB 4.41Å; F228-F232 HydrophobicContact CE1-CD2 4.48Å; F228-F232 WeakPolarHBondContact O-CB 3.13Å; F228-F232 PolarHBondContact O-N 2.79Å; F228-Y247 HydrophobicContact CD2-CD1 4.32Å; F228-Y247 AromaticContact CD2-CE1 3.7Å; F228-Y247 HydrophobicContact CD2-CE1 3.7Å; F228-Y247 AromaticContact CE2-CE1 3.78Å; F228-Y247 HydrophobicContact CE2-CE1 3.78Å; F228-Y247 HydrophobicContact CG-CE1 4.22Å; F228-Y247 HydrophobicContact CZ-CE1 4.36Å; F228-I274 HydrophobicContact CD2-CD1 4.44Å; F228-I274 HydrophobicContact CD2-CG1 3.78Å; F228-I274 HydrophobicContact CE2-CG1 4.3Å
229K95.8Very high93.1Very high37 Ų3719.4 Ų19.416%0.1619%0.09CC..Hα-helixtrans-69-39179.5-74.6-173.9175.4-147.80113.1W85 V207 R225 H226 E227 A231 Y233W85-K229 VanDerWaalsContact CD1-NZ 3.26Å; W85-K229 HydrophobicContact CD2-CD 4.26Å; W85-K229 HydrophobicContact CD2-CG 4.14Å; W85-K229 HydrophobicContact CE3-CG 4.04Å; W85-K229 HydrophobicContact CH2-CB 3.88Å; W85-K229 HydrophobicContact CH2-CD 4.31Å; W85-K229 HydrophobicContact CH2-CG 3.59Å; W85-K229 HydrophobicContact CZ2-CB 4.12Å; W85-K229 HydrophobicContact CZ2-CD 3.87Å; W85-K229 HydrophobicContact CZ2-CG 3.67Å; W85-K229 HydrophobicContact CZ3-CB 4.39Å; W85-K229 HydrophobicContact CZ3-CG 3.77Å; V207-K229 HydrophobicContact CG1-CB 3.81Å; V207-K229 HydrophobicContact CG1-CD 4.47Å; R225-K229 HydrophobicContact CG-CD 4.37Å; R225-K229 VanDerWaalsContact O-CG 3.26Å; R225-K229 WeakPolarHBondContact O-CG 3.35Å; R225-K229 PolarHBondContact O-N 2.95Å; R225-K229 VanDerWaalsContact O-N 3.11Å; H226-K229 PolarHBondContact O-N 3.32Å; E227-K229 VanDerWaalsContact C-N 3.25Å; E227-K229 PolarHBondContact O-N 2.87Å; K229-A231 VanDerWaalsContact C-N 3.34Å; K229-Y233 VanDerWaalsContact O-CD2 3.26Å; K229-Y233 WeakPolarHBondContact O-CD2 3.43Å; K229-Y233 PolarHBondContact O-N 3.43Å
230I97.4Very high93.4Very high6 Ų622.4 Ų22.43%0.03111%0.11CC..Hα-helixtrans-64.2-44.3175.2-66.2158.8000109.4A204 V207 K208 H226 E227 Y233 A234 H246A204-I230 HydrophobicContact CB-CG2 4.43Å; V207-I230 HydrophobicContact CB-CG1 4.14Å; V207-I230 HydrophobicContact CG1-CD1 4.2Å; V207-I230 HydrophobicContact CG1-CG1 3.71Å; K208-I230 HydrophobicContact CB-CD1 3.84Å; K208-I230 HydrophobicContact CB-CG1 4.5Å; K208-I230 HydrophobicContact CG-CD1 4.47Å; H226-I230 WeakPolarHBondContact O-CD1 3.46Å; H226-I230 VanDerWaalsContact O-CG1 3.24Å; H226-I230 WeakPolarHBondContact O-CG1 3.19Å; H226-I230 PolarHBondContact O-N 3.3Å; E227-I230 PolarHBondContact O-N 2.81Å; E227-I230 VanDerWaalsContact O-N 3.16Å; I230-Y233 PolarHBondContact O-N 3.04Å; I230-A234 PolarHBondContact O-N 2.74Å; I230-H246 HydrophobicContact CG2-CB 4.27Å
231A96.9Very high93.6Very high0 Ų020.9 Ų20.90%011%0.114CC..Hα-helixtrans-60.9-46.2176.500000112.7E227 F228 K229 Y233 A234 E235 A243 H246 Y247E227-A231 WeakPolarHBondContact O-CB 3.38Å; E227-A231 PolarHBondContact O-N 2.84Å; F228-A231 PolarHBondContact O-N 2.82Å; K229-A231 VanDerWaalsContact C-N 3.34Å; A231-Y233 VanDerWaalsContact C-N 3.34Å; A231-Y233 PolarHBondContact O-N 3.29Å; A231-A234 WeakPolarHBondContact O-CA 3.48Å; A231-A234 WeakPolarHBondContact O-CB 3.39Å; A231-A234 PolarHBondContact O-N 3.41Å; A231-E235 PolarHBondContact O-N 2.79Å; A231-A243 WeakPolarHBondContact CB-O 3.46Å; A231-A243 WeakPolarHBondContact O-CB 3.31Å; A231-H246 HydrophobicContact CB-CB 3.64Å; A231-Y247 HydrophobicContact CB-CD1 3.63Å; A231-Y247 HydrophobicContact CB-CD2 3.57Å; A231-Y247 HydrophobicContact CB-CE1 3.61Å; A231-Y247 HydrophobicContact CB-CE2 3.56Å; A231-Y247 HydrophobicContact CB-CG 3.57Å
232F95.9Very high93.8Very high0 Ų022.6 Ų22.60%012%0.123CC..Hα-helixtrans-65.8-34.6177.7-167.3-97.4000112.7P15 W85 M86 L90 F228 A234 E235 L236 Y247P15-F232 HydrophobicContact CG-CE2 4.06Å; P15-F232 HydrophobicContact CG-CZ 4.42Å; W85-F232 HydrophobicContact CH2-CB 4.16Å; W85-F232 AromaticContact CH2-CD1 3.73Å; W85-F232 HydrophobicContact CH2-CD1 3.73Å; W85-F232 HydrophobicContact CH2-CG 4.27Å; W85-F232 HydrophobicContact CZ3-CB 4.04Å; W85-F232 AromaticContact CZ3-CD1 3.65Å; W85-F232 HydrophobicContact CZ3-CD1 3.65Å; W85-F232 HydrophobicContact CZ3-CE1 4.3Å; W85-F232 AromaticContact CZ3-CG 3.96Å; W85-F232 HydrophobicContact CZ3-CG 3.96Å; M86-F232 HydrophobicContact CB-CE1 4.43Å; M86-F232 HydrophobicContact CB-CE2 4.41Å; M86-F232 HydrophobicContact CB-CZ 3.95Å; M86-F232 HydrophobicContact CG-CE1 4.48Å; M86-F232 HydrophobicContact CG-CE2 4.14Å; M86-F232 HydrophobicContact CG-CZ 4.08Å; M86-F232 HydrophobicContact SD-CD2 4.38Å; M86-F232 HydrophobicContact SD-CE2 3.97Å; M86-F232 HydrophobicContact SD-CZ 4.45Å; L90-F232 HydrophobicContact CD1-CZ 3.95Å; L90-F232 HydrophobicContact CD2-CE1 4.5Å; L90-F232 HydrophobicContact CD2-CZ 4.06Å; L90-F232 HydrophobicContact CG-CE1 4.3Å; L90-F232 HydrophobicContact CG-CZ 3.88Å; F228-F232 HydrophobicContact CE1-CB 4.41Å; F228-F232 HydrophobicContact CE1-CD2 4.48Å; F228-F232 WeakPolarHBondContact O-CB 3.13Å; F228-F232 PolarHBondContact O-N 2.79Å; F232-A234 VanDerWaalsContact C-N 3.35Å; F232-E235 PolarHBondContact O-N 2.76Å; F232-L236 HydrophobicContact CD1-CD1 3.84Å; F232-L236 HydrophobicContact CE1-CD1 3.77Å; F232-L236 HydrophobicContact CE1-CG 4.47Å; F232-L236 PolarHBondContact O-N 2.84Å; F232-Y247 WeakPolarHBondContact CA-OH 3.45Å; F232-Y247 PolarHBondContact N-OH 2.93Å
233Y96.4Very high94.1Very high8 Ų822.3 Ų22.33%0.03112%0.121CC..Hα-helixtrans-70.3-29.2170.4-73.9-40.5000113.1W85 H89 Y200 Q203 A204 V207 K229 I230 A231 L236 K237W85-Y233 HydrophobicContact CH2-CE1 4.4Å; W85-Y233 HydrophobicContact CZ2-CE1 4.09Å; W85-Y233 HydrophobicContact CZ2-CE2 4.2Å; W85-Y233 AromaticContact CZ2-CZ 3.78Å; H89-Y233 PolarHBondContact CE1-OH 2.84Å; H89-Y233 AromaticContact ND1-CE1 3.87Å; H89-Y233 PolarHBondContact NE2-OH 3.01Å; Y200-Y233 AromaticContact CD1-CD1 3.78Å; Y200-Y233 HydrophobicContact CD1-CD1 3.78Å; Y200-Y233 HydrophobicContact CD1-CE1 4.2Å; Y200-Y233 HydrophobicContact CE1-CD1 4.47Å; Q203-Y233 HydrophobicContact CB-CD1 4.47Å; Q203-Y233 HydrophobicContact CB-CD2 4.03Å; Q203-Y233 HydrophobicContact CB-CE1 4.1Å; Q203-Y233 HydrophobicContact CB-CE2 3.57Å; Q203-Y233 HydrophobicContact CB-CG 4.44Å; A204-Y233 HydrophobicContact CB-CD2 4.2Å; V207-Y233 HydrophobicContact CG2-CE2 3.87Å; K229-Y233 VanDerWaalsContact O-CD2 3.26Å; K229-Y233 WeakPolarHBondContact O-CD2 3.43Å; K229-Y233 PolarHBondContact O-N 3.43Å; I230-Y233 PolarHBondContact O-N 3.04Å; A231-Y233 VanDerWaalsContact C-N 3.34Å; A231-Y233 PolarHBondContact O-N 3.29Å; Y233-L236 HydrophobicContact CD1-CD1 4.08Å; Y233-L236 PolarHBondContact O-N 2.91Å; Y233-K237 WeakPolarHBondContact O-CB 3.38Å; Y233-K237 PolarHBondContact O-N 3.22Å
234A95.3Very high94.3Very high4 Ų423.3 Ų23.33%0.03313%0.127CC..Hα-helixtrans-70.7-37.8171.700000111.9I230 A231 F232 L236 K237 Q238 D239 L242 A243I230-A234 PolarHBondContact O-N 2.74Å; A231-A234 WeakPolarHBondContact O-CA 3.48Å; A231-A234 WeakPolarHBondContact O-CB 3.39Å; A231-A234 PolarHBondContact O-N 3.41Å; F232-A234 VanDerWaalsContact C-N 3.35Å; A234-L236 VanDerWaalsContact C-N 3.35Å; A234-L236 PolarHBondContact O-N 3.36Å; A234-K237 WeakPolarHBondContact O-CB 3.27Å; A234-K237 PolarHBondContact O-N 3.49Å; A234-Q238 PolarHBondContact O-N 3.1Å; A234-D239 PolarHBondContact O-N 2.64Å; A234-L242 HydrophobicContact CB-CB 4.1Å; A234-L242 HydrophobicContact CB-CD2 4.17Å; A234-L242 HydrophobicContact CB-CG 4.02Å; A234-A243 HydrophobicContact CB-CB 3.81Å
235E93.3Very high94.4Very high21 Ų2129.7 Ų29.710%0.09816%0.155CC..Hα-helixtrans-58.7-45.4167.1-76.8-169.2-84.100111.4P15 A231 F232 K237 Q238 A243 Y247 K277P15-E235 HydrophobicContact CB-CB 4.06Å; P15-E235 WeakPolarHBondContact CD-OE2 3.14Å; P15-E235 HydrophobicContact CG-CB 3.77Å; P15-E235 HydrophobicContact CG-CG 4.38Å; A231-E235 PolarHBondContact O-N 2.79Å; F232-E235 PolarHBondContact O-N 2.76Å; E235-K237 VanDerWaalsContact C-N 3.3Å; E235-K237 PolarHBondContact O-N 3.15Å; E235-Q238 WeakPolarHBondContact O-CA 3.45Å; E235-Q238 PolarHBondContact O-N 3.48Å; E235-Q238 PolarHBondContact O-NE2 3.13Å; E235-A243 HydrophobicContact CG-CB 3.87Å; E235-Y247 HydrophobicContact CG-CE2 4.33Å; E235-Y247 PolarHBondContact OE1-OH 2.99Å; E235-Y247 VanDerWaalsContact OE1-OH 3.13Å; E235-K277 WeakPolarHBondContact OE1-CD 3.34Å; E235-K277 WeakPolarHBondContact OE1-CE 3.41Å; E235-K277 IonicContact OE1-NZ 2.75Å; E235-K277 PolarHBondContact OE1-NZ 3.05Å; E235-K277 IonicContact OE2-NZ 2.61Å; E235-K277 PolarHBondContact OE2-NZ 3.33Å
236L93.1Very high94.6Very high0 Ų029.4 Ų29.40%016%0.155CC..Hα-helixtrans-63.9-32.5177.2-76.4165.4000113.1P15 K16 P17 L90 Y200 F232 Y233 A234 Q238P15-L236 HydrophobicContact CB-CD2 3.69Å; P15-L236 HydrophobicContact CB-CG 3.86Å; K16-L236 WeakPolarHBondContact O-CD2 3.21Å; P17-L236 WeakPolarHBondContact CG-O 3.2Å; L90-L236 HydrophobicContact CD2-CD2 4.18Å; Y200-L236 HydrophobicContact CD1-CB 3.92Å; Y200-L236 HydrophobicContact CD1-CD1 4.1Å; Y200-L236 HydrophobicContact CD2-CB 3.83Å; Y200-L236 HydrophobicContact CE1-CB 4Å; Y200-L236 HydrophobicContact CE1-CD1 3.74Å; Y200-L236 HydrophobicContact CE1-CG 4.31Å; Y200-L236 HydrophobicContact CE2-CB 3.91Å; Y200-L236 HydrophobicContact CG-CB 3.83Å; F232-L236 HydrophobicContact CD1-CD1 3.84Å; F232-L236 HydrophobicContact CE1-CD1 3.77Å; F232-L236 HydrophobicContact CE1-CG 4.47Å; F232-L236 PolarHBondContact O-N 2.84Å; Y233-L236 HydrophobicContact CD1-CD1 4.08Å; Y233-L236 PolarHBondContact O-N 2.91Å; A234-L236 VanDerWaalsContact C-N 3.35Å; A234-L236 PolarHBondContact O-N 3.36Å; L236-Q238 PolarHBondContact O-N 3.35Å
237K92.4Very high94.8Very high72 Ų7228.5 Ų28.531%0.31315%0.151SC..THydrogen-bonded Turntrans-67.9-8.1169.7-165.1-154.6150.9-161.30113.1A197 Y233 A234 E235 D239A197-K237 HydrophobicContact CB-CG 3.91Å; Y233-K237 WeakPolarHBondContact O-CB 3.38Å; Y233-K237 PolarHBondContact O-N 3.22Å; A234-K237 WeakPolarHBondContact O-CB 3.27Å; A234-K237 PolarHBondContact O-N 3.49Å; E235-K237 VanDerWaalsContact C-N 3.3Å; E235-K237 PolarHBondContact O-N 3.15Å; K237-D239 VanDerWaalsContact C-N 3.33Å; K237-D239 HydrophobicContact CB-CB 4.35Å; K237-D239 HydrophobicContact CD-CB 3.83Å; K237-D239 HydrophobicContact CG-CB 4.45Å; K237-D239 IonicContact NZ-OD2 3.83Å; K237-D239 PolarHBondContact NZ-OD2 3.21Å
238Q90Very high94.8Very high48 Ų4832.3 Ų32.322%0.22417%0.168CC..THydrogen-bonded Turntrans58.939-166.8-50.4-56.1-67.500113.1P15 A234 E235 L236 P240P15-Q238 PolarHBondContact O-NE2 3.37Å; A234-Q238 PolarHBondContact O-N 3.1Å; E235-Q238 WeakPolarHBondContact O-CA 3.45Å; E235-Q238 PolarHBondContact O-N 3.48Å; E235-Q238 PolarHBondContact O-NE2 3.13Å; L236-Q238 PolarHBondContact O-N 3.35Å; Q238-P240 VanDerWaalsContact O-CD 3.27Å; Q238-P240 WeakPolarHBondContact O-CD 3.33Å
239D92.1Very high94.8Very high41 Ų4136.2 Ų36.222%0.21919%0.187CC..  trans-114.979.2177.3-171.8-18.9000110.4A234 K237 G241 L242 A243A234-D239 PolarHBondContact O-N 2.64Å; K237-D239 VanDerWaalsContact C-N 3.33Å; K237-D239 HydrophobicContact CB-CB 4.35Å; K237-D239 HydrophobicContact CD-CB 3.83Å; K237-D239 HydrophobicContact CG-CB 4.45Å; K237-D239 IonicContact NZ-OD2 3.83Å; K237-D239 PolarHBondContact NZ-OD2 3.21Å; D239-G241 VanDerWaalsContact C-N 3.3Å; D239-G241 PolarHBondContact O-N 3.33Å; D239-L242 HydrophobicContact CB-CB 4.25Å; D239-L242 PolarHBondContact O-N 3.26Å; D239-L242 WeakPolarHBondContact OD1-CB 3.37Å; D239-L242 PolarHBondContact OD1-N 3.27Å; D239-L242 WeakPolarHBondContact OD2-CB 3.33Å; D239-A243 WeakPolarHBondContact O-CB 3.3Å; D239-A243 PolarHBondContact O-N 3.03Å
240P90.1Very high94.9Very high68 Ų6834.4 Ų34.444%0.44218%0.179SC..Hα-helixtrans-67.3-29.8-174.626.8-34.7000112.6Q238 A243 L244 L281Q238-P240 VanDerWaalsContact O-CD 3.27Å; Q238-P240 WeakPolarHBondContact O-CD 3.33Å; P240-A243 PolarHBondContact O-N 2.74Å; P240-L244 WeakPolarHBondContact O-CB 3.46Å; P240-L244 PolarHBondContact O-N 3.08Å; P240-L281 HydrophobicContact CB-CD2 3.94Å
241G92.1Very high94.9Very high41 Ų4134.7 Ų34.742%0.42318%0.179SC..Hα-helixtrans-69.3-38.4178.400000113D239 K245D239-G241 VanDerWaalsContact C-N 3.3Å; D239-G241 PolarHBondContact O-N 3.33Å; G241-K245 WeakPolarHBondContact O-CG 3.3Å
242L94.3Very high94.8Very high59 Ų5938.7 Ų38.731%0.30920%0.201SC..Hα-helixtrans-72.4-38.9171.1-175.661.1000111.6A234 D239 K245 H246A234-L242 HydrophobicContact CB-CB 4.1Å; A234-L242 HydrophobicContact CB-CD2 4.17Å; A234-L242 HydrophobicContact CB-CG 4.02Å; D239-L242 HydrophobicContact CB-CB 4.25Å; D239-L242 PolarHBondContact O-N 3.26Å; D239-L242 WeakPolarHBondContact OD1-CB 3.37Å; D239-L242 PolarHBondContact OD1-N 3.27Å; D239-L242 WeakPolarHBondContact OD2-CB 3.33Å; L242-K245 PolarHBondContact O-N 3.45Å; L242-H246 PolarHBondContact O-CD2 2.71Å; L242-H246 PolarHBondContact O-N 2.95Å; L242-H246 VanDerWaalsContact O-N 3.16Å
243A95.3Very high94.7Very high0 Ų040.5 Ų40.50%021%0.209CC..Hα-helixtrans-59.9-49177.100000112.1A231 A234 E235 D239 P240 K245 H246 Y247 L281A231-A243 WeakPolarHBondContact CB-O 3.46Å; A231-A243 WeakPolarHBondContact O-CB 3.31Å; A234-A243 HydrophobicContact CB-CB 3.81Å; E235-A243 HydrophobicContact CG-CB 3.87Å; D239-A243 WeakPolarHBondContact O-CB 3.3Å; D239-A243 PolarHBondContact O-N 3.03Å; P240-A243 PolarHBondContact O-N 2.74Å; A243-K245 VanDerWaalsContact C-N 3.34Å; A243-K245 PolarHBondContact O-N 3.12Å; A243-H246 PolarHBondContact O-N 2.86Å; A243-Y247 HydrophobicContact CB-CD2 4.46Å; A243-Y247 HydrophobicContact CB-CE2 4.43Å; A243-Y247 VanDerWaalsContact O-CD2 3.28Å; A243-Y247 WeakPolarHBondContact O-CD2 3.37Å; A243-Y247 PolarHBondContact O-N 3.27Å; A243-L281 HydrophobicContact CB-CD1 4.07Å
244L95Very high94.6Very high33 Ų3340.1 Ų40.117%0.17321%0.208CC..Hα-helixtrans-57.4-44.6179.2178.758.5000112P240 H246 Y247 Q248 I278 L281P240-L244 WeakPolarHBondContact O-CB 3.46Å; P240-L244 PolarHBondContact O-N 3.08Å; L244-H246 PolarHBondContact O-N 2.76Å; L244-Y247 PolarHBondContact O-N 2.93Å; L244-Q248 HydrophobicContact CD1-CG 4.34Å; L244-Q248 WeakPolarHBondContact O-CB 3.45Å; L244-Q248 VanDerWaalsContact O-CG 3.31Å; L244-Q248 WeakPolarHBondContact O-CG 3.38Å; L244-Q248 PolarHBondContact O-N 3.28Å; L244-I278 HydrophobicContact CD1-CB 4.36Å; L244-I278 HydrophobicContact CD1-CG2 3.82Å; L244-L281 HydrophobicContact CB-CB 4.42Å; L244-L281 HydrophobicContact CB-CD1 4.23Å; L244-L281 HydrophobicContact CD1-CB 4.16Å
245K96.1Very high94.4Very high134 Ų13441.7 Ų41.758%0.58322%0.217SC*.Hα-helixtrans-61.5-43.3177.4-72.2173.4-178.6177.50112.4G241 L242 A243 Q248 Q249G241-K245 WeakPolarHBondContact O-CG 3.3Å; L242-K245 PolarHBondContact O-N 3.45Å; A243-K245 VanDerWaalsContact C-N 3.34Å; A243-K245 PolarHBondContact O-N 3.12Å; K245-Q248 PolarHBondContact O-N 3.04Å; K245-Q249 WeakPolarHBondContact O-CG 3.48Å; K245-Q249 PolarHBondContact O-N 3Å
246H97.7Very high94.3Very high24 Ų2446.8 Ų46.811%0.11124%0.241CC..Hα-helixtrans-74.3-29.8177.7-78-67.9000112.9E227 I230 A231 L242 A243 L244 Q249 A250E227-H246 IonicContact OE1-ND1 2.65Å; E227-H246 IonicContact OE2-CE1 3.8Å; E227-H246 IonicContact OE2-CG 2.73Å; E227-H246 IonicContact OE2-ND1 3.92Å; E227-H246 PolarHBondContact OE2-ND1 2.98Å; I230-H246 HydrophobicContact CG2-CB 4.27Å; A231-H246 HydrophobicContact CB-CB 3.64Å; L242-H246 PolarHBondContact O-CD2 2.71Å; L242-H246 PolarHBondContact O-N 2.95Å; L242-H246 VanDerWaalsContact O-N 3.16Å; A243-H246 PolarHBondContact O-N 2.86Å; L244-H246 PolarHBondContact O-N 2.76Å; H246-Q249 PolarHBondContact O-N 2.77Å; H246-A250 WeakPolarHBondContact O-CB 3.21Å; H246-A250 PolarHBondContact O-N 3.46Å
247Y98.1Very high94.1Very high0 Ų047.4 Ų47.40%024%0.244CC..Hα-helixtrans-67.4-41.7169.6-80.5-54.8000112.2F228 A231 F232 E235 A243 L244 Q249 A250 Y251 I274 K277 L281F228-Y247 HydrophobicContact CD2-CD1 4.32Å; F228-Y247 AromaticContact CD2-CE1 3.7Å; F228-Y247 HydrophobicContact CD2-CE1 3.7Å; F228-Y247 AromaticContact CE2-CE1 3.78Å; F228-Y247 HydrophobicContact CE2-CE1 3.78Å; F228-Y247 HydrophobicContact CG-CE1 4.22Å; F228-Y247 HydrophobicContact CZ-CE1 4.36Å; A231-Y247 HydrophobicContact CB-CD1 3.63Å; A231-Y247 HydrophobicContact CB-CD2 3.57Å; A231-Y247 HydrophobicContact CB-CE1 3.61Å; A231-Y247 HydrophobicContact CB-CE2 3.56Å; A231-Y247 HydrophobicContact CB-CG 3.57Å; F232-Y247 WeakPolarHBondContact CA-OH 3.45Å; F232-Y247 PolarHBondContact N-OH 2.93Å; E235-Y247 HydrophobicContact CG-CE2 4.33Å; E235-Y247 PolarHBondContact OE1-OH 2.99Å; E235-Y247 VanDerWaalsContact OE1-OH 3.13Å; A243-Y247 HydrophobicContact CB-CD2 4.46Å; A243-Y247 HydrophobicContact CB-CE2 4.43Å; A243-Y247 VanDerWaalsContact O-CD2 3.28Å; A243-Y247 WeakPolarHBondContact O-CD2 3.37Å; A243-Y247 PolarHBondContact O-N 3.27Å; L244-Y247 PolarHBondContact O-N 2.93Å; Y247-Q249 VanDerWaalsContact C-N 3.34Å; Y247-Q249 PolarHBondContact O-N 2.71Å; Y247-A250 WeakPolarHBondContact O-CB 3.36Å; Y247-A250 PolarHBondContact O-N 2.67Å; Y247-Y251 PolarHBondContact O-N 3.06Å; Y247-I274 HydrophobicContact CD1-CG2 4.44Å; Y247-I274 WeakPolarHBondContact O-CG2 3.36Å; Y247-K277 HydrophobicContact CD1-CB 4.12Å; Y247-K277 HydrophobicContact CD2-CB 3.88Å; Y247-K277 HydrophobicContact CE1-CB 4.09Å; Y247-K277 HydrophobicContact CE1-CG 4.17Å; Y247-K277 HydrophobicContact CE2-CB 3.83Å; Y247-K277 HydrophobicContact CE2-CD 4.18Å; Y247-K277 HydrophobicContact CE2-CG 4.08Å; Y247-K277 HydrophobicContact CG-CB 4.05Å; Y247-L281 HydrophobicContact CD2-CD1 3.94Å; Y247-L281 HydrophobicContact CE2-CD1 4.31Å
248Q97.1Very high93.8Very high81 Ų8153.3 Ų53.338%0.37926%0.264SS..Hα-helixtrans-61-41.9172.4-72.3168.6-19.900111.5L244 K245 Y251 N252 I278L244-Q248 HydrophobicContact CD1-CG 4.34Å; L244-Q248 WeakPolarHBondContact O-CB 3.45Å; L244-Q248 VanDerWaalsContact O-CG 3.31Å; L244-Q248 WeakPolarHBondContact O-CG 3.38Å; L244-Q248 PolarHBondContact O-N 3.28Å; K245-Q248 PolarHBondContact O-N 3.04Å; Q248-Y251 WeakPolarHBondContact O-CB 3.43Å; Q248-Y251 PolarHBondContact O-N 2.83Å; Q248-N252 PolarHBondContact O-N 2.68Å; Q248-N252 PolarHBondContact O-OD1 2.68Å; Q248-I278 HydrophobicContact CG-CD1 4.17Å; Q248-I278 HydrophobicContact CG-CG1 4.36Å; Q248-I278 HydrophobicContact CG-CG2 4.25Å
249Q96.9Very high93.5Very high83 Ų8353.1 Ų53.139%0.38826%0.264SS..Hα-helixtrans-64.7-40.9172.8-71.9179.627.900112.2E227 K245 H246 Y247 Y251 N252 H253E227-Q249 HydrophobicContact CG-CB 4.29Å; E227-Q249 PolarHBondContact OE2-OE1 2.73Å; K245-Q249 WeakPolarHBondContact O-CG 3.48Å; K245-Q249 PolarHBondContact O-N 3Å; H246-Q249 PolarHBondContact O-N 2.77Å; Y247-Q249 VanDerWaalsContact C-N 3.34Å; Y247-Q249 PolarHBondContact O-N 2.71Å; Q249-Y251 VanDerWaalsContact C-N 3.26Å; Q249-Y251 PolarHBondContact O-N 2.57Å; Q249-N252 PolarHBondContact O-N 3.03Å; Q249-H253 PolarHBondContact O-N 3.35Å; Q249-H253 PolarHBondContact O-ND1 3.08Å
250A97.3Very high93.1Very high0 Ų053.4 Ų53.40%027%0.265CS..Hα-helixtrans-59.7-38173.900000112.2E227 H246 Y247 L254 I274E227-A250 HydrophobicContact CB-CB 3.62Å; H246-A250 WeakPolarHBondContact O-CB 3.21Å; H246-A250 PolarHBondContact O-N 3.46Å; Y247-A250 WeakPolarHBondContact O-CB 3.36Å; Y247-A250 PolarHBondContact O-N 2.67Å; A250-L254 WeakPolarHBondContact O-CB 3.48Å; A250-L254 PolarHBondContact O-N 2.89Å; A250-I274 HydrophobicContact CB-CD1 3.87Å; A250-I274 HydrophobicContact CB-CG1 4.42Å; A250-I274 HydrophobicContact CB-CG2 4.48Å
251Y97.3Very high92.7Very high11 Ų1154.2 Ų54.24%0.04327%0.266CS..Hα-helixtrans-66.1-46.4177.1-167-92.2000112.1Y247 Q248 Q249 L254 T255 I274 N275 I278 H297Y247-Y251 PolarHBondContact O-N 3.06Å; Q248-Y251 WeakPolarHBondContact O-CB 3.43Å; Q248-Y251 PolarHBondContact O-N 2.83Å; Q249-Y251 VanDerWaalsContact C-N 3.26Å; Q249-Y251 PolarHBondContact O-N 2.57Å; Y251-L254 WeakPolarHBondContact O-CA 3.39Å; Y251-L254 WeakPolarHBondContact O-CB 3.35Å; Y251-L254 PolarHBondContact O-N 2.97Å; Y251-T255 HydrophobicContact CD1-CG2 4.12Å; Y251-T255 HydrophobicContact CE1-CG2 3.53Å; Y251-T255 PolarHBondContact O-N 2.77Å; Y251-T255 PolarHBondContact O-OG1 3.47Å; Y251-I274 HydrophobicContact CD2-CB 4.46Å; Y251-I274 HydrophobicContact CD2-CG2 3.94Å; Y251-I274 HydrophobicContact CG-CG2 4.36Å; Y251-N275 HydrophobicContact CE2-CB 4.34Å; Y251-I278 HydrophobicContact CD2-CD1 4.36Å; Y251-I278 HydrophobicContact CG-CD1 4.18Å; Y251-H297 AromaticContact CE2-ND1 3.53Å; Y251-H297 AromaticContact CZ-ND1 3.62Å; Y251-H297 WeakPolarHBondContact OH-CA 3.03Å; Y251-H297 PolarHBondContact OH-ND1 3.35Å
252N95.7Very high92Very high84 Ų8453 Ų5345%0.44925%0.252SS..Hα-helixtrans-60.7-51-179.9-67.31.7000111.7Q248 Q249 L254 T255 E256Q248-N252 PolarHBondContact O-N 2.68Å; Q248-N252 PolarHBondContact O-OD1 2.68Å; Q249-N252 PolarHBondContact O-N 3.03Å; N252-L254 PolarHBondContact O-N 3Å; N252-L254 VanDerWaalsContact O-N 3.12Å; N252-T255 WeakPolarHBondContact CA-OG1 3.47Å; N252-T255 PolarHBondContact O-N 2.96Å; N252-T255 VanDerWaalsContact O-N 3.08Å; N252-T255 PolarHBondContact O-OG1 2.85Å; N252-E256 WeakPolarHBondContact O-CG 3.21Å; N252-E256 PolarHBondContact O-N 2.91Å
253H93.7Very high91.4Very high38 Ų3851.4 Ų51.418%0.17624%0.243CC..Hα-helixtrans-61.2-21.5175.4-62.699.6000112.8F223 V224 Q249F223-H253 HydrophobicContact CB-CB 4.35Å; F223-H253 AromaticContact CD1-CD2 3.99Å; F223-H253 AromaticContact CD1-NE2 3.77Å; V224-H253 HydrophobicContact CG2-CB 3.88Å; V224-H253 WeakPolarHBondContact CG2-O 3.28Å; Q249-H253 PolarHBondContact O-N 3.35Å; Q249-H253 PolarHBondContact O-ND1 3.08Å
254L93.8Very high91Very high0 Ų051.6 Ų51.60%024%0.244CC..Hα-helixtrans-80.4-40.5175-179.1153.7000111.3V224 A250 Y251 N252 E256 L257 M259 V267 V270 A271 I274 F301V224-L254 HydrophobicContact CG1-CB 4.1Å; V224-L254 HydrophobicContact CG1-CD1 4.13Å; V224-L254 HydrophobicContact CG2-CB 3.91Å; A250-L254 WeakPolarHBondContact O-CB 3.48Å; A250-L254 PolarHBondContact O-N 2.89Å; Y251-L254 WeakPolarHBondContact O-CA 3.39Å; Y251-L254 WeakPolarHBondContact O-CB 3.35Å; Y251-L254 PolarHBondContact O-N 2.97Å; N252-L254 PolarHBondContact O-N 3Å; N252-L254 VanDerWaalsContact O-N 3.12Å; L254-E256 VanDerWaalsContact C-N 3.25Å; L254-E256 PolarHBondContact O-N 3.28Å; L254-L257 HydrophobicContact CG-CD1 4.31Å; L254-L257 WeakPolarHBondContact O-CB 3.21Å; L254-L257 WeakPolarHBondContact O-CG 3.44Å; L254-L257 PolarHBondContact O-N 3.26Å; L254-M259 VanDerWaalsContact O-CE 3.3Å; L254-M259 WeakPolarHBondContact O-CE 3.42Å; L254-V267 HydrophobicContact CD2-CG1 3.68Å; L254-V267 HydrophobicContact CG-CG1 4.04Å; L254-V270 HydrophobicContact CD1-CB 4.18Å; L254-V270 HydrophobicContact CD1-CG1 4.03Å; L254-A271 HydrophobicContact CD1-CB 4.08Å; L254-A271 HydrophobicContact CD2-CB 3.67Å; L254-I274 HydrophobicContact CD1-CD1 4.03Å; L254-F301 HydrophobicContact CD2-CZ 4.03Å
255T91.7Very high90.8Very high37 Ų3750.3 Ų50.323%0.22724%0.237CC..Hα-helixtrans-70.5-21.8174.746.80000113.2Y251 N252 L257 F300Y251-T255 HydrophobicContact CD1-CG2 4.12Å; Y251-T255 HydrophobicContact CE1-CG2 3.53Å; Y251-T255 PolarHBondContact O-N 2.77Å; Y251-T255 PolarHBondContact O-OG1 3.47Å; N252-T255 WeakPolarHBondContact CA-OG1 3.47Å; N252-T255 PolarHBondContact O-N 2.96Å; N252-T255 VanDerWaalsContact O-N 3.08Å; N252-T255 PolarHBondContact O-OG1 2.85Å; T255-L257 VanDerWaalsContact C-N 3.27Å; T255-L257 PolarHBondContact O-N 3.15Å; T255-F300 HydrophobicContact CG2-CD1 4.12Å; T255-F300 HydrophobicContact CG2-CD2 4.31Å; T255-F300 HydrophobicContact CG2-CE1 3.89Å; T255-F300 HydrophobicContact CG2-CE2 4.09Å; T255-F300 HydrophobicContact CG2-CG 4.32Å; T255-F300 HydrophobicContact CG2-CZ 3.88Å
256E90.9Very high90.4Very high128 Ų12844.3 Ų44.360%0.59821%0.211SC*.THydrogen-bonded Turntrans-76.2-5.7172.8-72164.9-158.300114N252 L254N252-E256 WeakPolarHBondContact O-CG 3.21Å; N252-E256 PolarHBondContact O-N 2.91Å; L254-E256 VanDerWaalsContact C-N 3.25Å; L254-E256 PolarHBondContact O-N 3.28Å
257L89.1Confident90.1Very high13 Ų1343.7 Ų43.77%0.06821%0.209CC..SBendtrans-70.5145.7179.3-60.9179.5000112.1I80 Q220 L221 V224 L254 T255 M259 V267I80-L257 HydrophobicContact CD1-CD1 4.29Å; Q220-L257 HydrophobicContact CB-CD2 3.42Å; Q220-L257 VanDerWaalsContact CB-CD2 3.42Å; Q220-L257 HydrophobicContact CG-CD2 4.38Å; L221-L257 HydrophobicContact CD2-CD1 3.51Å; L221-L257 HydrophobicContact CD2-CD2 3.59Å; L221-L257 HydrophobicContact CD2-CG 4.17Å; V224-L257 HydrophobicContact CG2-CD1 4.44Å; L254-L257 HydrophobicContact CG-CD1 4.31Å; L254-L257 WeakPolarHBondContact O-CB 3.21Å; L254-L257 WeakPolarHBondContact O-CG 3.44Å; L254-L257 PolarHBondContact O-N 3.26Å; T255-L257 VanDerWaalsContact C-N 3.27Å; T255-L257 PolarHBondContact O-N 3.15Å; L257-M259 HydrophobicContact CB-CE 4.12Å; L257-M259 PolarHBondContact O-N 2.99Å; L257-V267 HydrophobicContact CD1-CG2 4.34Å
258R85.7Confident89.9Confident196 Ų19644.1 Ų44.174%0.7421%0.211SC*.  trans-66.6102.8168-175.3-179.1177.7114.40.5109.6L260R258-L260 HydrophobicContact CG-CG 4.46Å; R258-L260 PolarHBondContact O-N 2.74Å
259M84.5Confident89.6Confident45 Ų4540.4 Ų40.422%0.22219%0.194CC..  trans-65.1129.3177.3-58-60.5159.300110.5L254 L257 L264 V267 F300 L304L254-M259 VanDerWaalsContact O-CE 3.3Å; L254-M259 WeakPolarHBondContact O-CE 3.42Å; L257-M259 HydrophobicContact CB-CE 4.12Å; L257-M259 PolarHBondContact O-N 2.99Å; M259-L264 HydrophobicContact CB-CD1 4.44Å; M259-L264 HydrophobicContact SD-CD1 3.94Å; M259-V267 HydrophobicContact CE-CG1 3.98Å; M259-V267 HydrophobicContact SD-CG1 3.82Å; M259-F300 HydrophobicContact CE-CE1 3.89Å; M259-F300 HydrophobicContact CE-CZ 4.01Å; M259-L304 HydrophobicContact CB-CD2 4.49Å; M259-L304 HydrophobicContact CG-CD1 4.12Å; M259-L304 HydrophobicContact SD-CD1 4.49Å
260L83.2Confident89.5Confident47 Ų4736.5 Ų36.525%0.24618%0.176CC..  trans-139.4125.7179.9-70.1170.1000108.4R258 A262 H263 L264 I499R258-L260 HydrophobicContact CG-CG 4.46Å; R258-L260 PolarHBondContact O-N 2.74Å; L260-A262 PolarHBondContact O-N 2.7Å; L260-A262 VanDerWaalsContact O-N 3.08Å; L260-H263 CarbonylContact O-C 3.56Å; L260-H263 PolarHBondContact O-N 2.7Å; L260-L264 PolarHBondContact O-N 3.34Å; L260-I499 HydrophobicContact CD1-CG1 4.03Å; L260-I499 HydrophobicContact CD2-CG1 4.35Å
261D81.4Confident89.3Confident84 Ų8436.5 Ų36.545%0.44918%0.176SC..THydrogen-bonded Turntrans-55.3-33.5-172.1-62.6-41.2000114.4H263 G306 L307 R490D261-H263 VanDerWaalsContact C-N 3.28Å; D261-H263 PolarHBondContact O-N 2.98Å; D261-G306 VanDerWaalsContact OD1-CA 3.3Å; D261-G306 WeakPolarHBondContact OD1-CA 3.32Å; D261-L307 HydrophobicContact CB-CD2 4.02Å; D261-L307 HydrophobicContact CB-CG 4.31Å; D261-R490 PolarHBondContact O-NH1 2.83Å
262A77.6Confident89.2Confident15 Ų1536.1 Ų36.112%0.12418%0.175CC..THydrogen-bonded Turntrans-61.8-32.4176.100000113.5L260 R490L260-A262 PolarHBondContact O-N 2.7Å; L260-A262 VanDerWaalsContact O-N 3.08Å; A262-R490 PolarHBondContact O-NH1 2.89Å
263H80.9Confident89.2Confident27 Ų2732.5 Ų32.513%0.12516%0.155CC..THydrogen-bonded Turntrans-114.6-4.9-174.4-54.2-51.2000113.3L260 D261 L265 E266 V267 Q497 S498L260-H263 CarbonylContact O-C 3.56Å; L260-H263 PolarHBondContact O-N 2.7Å; D261-H263 VanDerWaalsContact C-N 3.28Å; D261-H263 PolarHBondContact O-N 2.98Å; H263-L265 PolarHBondContact O-N 2.83Å; H263-L265 VanDerWaalsContact O-N 3.13Å; H263-E266 WeakPolarHBondContact O-CB 3.3Å; H263-E266 PolarHBondContact O-N 2.84Å; H263-V267 PolarHBondContact O-N 2.84Å; H263-Q497 VanDerWaalsContact NE2-C 3.34Å; H263-Q497 PolarHBondContact NE2-O 3.18Å; H263-S498 PolarHBondContact CE1-O 3.35Å; H263-S498 PolarHBondContact NE2-O 3.07Å
264L88.4Confident89.3Confident3 Ų330.7 Ų30.72%0.01615%0.147CC..Hα-helixtrans-58.8-27.4-175.8-173.266.1000113.4M259 L260 V267 K268 L304M259-L264 HydrophobicContact CB-CD1 4.44Å; M259-L264 HydrophobicContact SD-CD1 3.94Å; L260-L264 PolarHBondContact O-N 3.34Å; L264-V267 PolarHBondContact O-N 3.47Å; L264-K268 HydrophobicContact CG-CD 4.35Å; L264-K268 HydrophobicContact CG-CG 4.38Å; L264-K268 WeakPolarHBondContact O-CB 3.36Å; L264-K268 WeakPolarHBondContact O-CG 3.41Å; L264-K268 PolarHBondContact O-N 3.09Å; L264-L304 HydrophobicContact CD1-CB 4.36Å; L264-L304 HydrophobicContact CD2-CB 4.1Å; L264-L304 WeakPolarHBondContact CD2-O 3.18Å
265L88.9Confident89.4Confident7 Ų730.9 Ų30.94%0.03715%0.148CC..Hα-helixtrans-61.3-46.6172.2177.966.3000111.7Y3 I4 H263 V267 K268 T269 E313 G488 R490Y3-L265 HydrophobicContact CD2-CD1 4.17Å; Y3-L265 HydrophobicContact CD2-CD2 4.29Å; Y3-L265 HydrophobicContact CE2-CD1 3.76Å; Y3-L265 HydrophobicContact CE2-CD2 3.7Å; Y3-L265 HydrophobicContact CE2-CG 4.28Å; I4-L265 HydrophobicContact CD1-CD1 4.28Å; I4-L265 HydrophobicContact CG1-CD1 4.49Å; H263-L265 PolarHBondContact O-N 2.83Å; H263-L265 VanDerWaalsContact O-N 3.13Å; L265-V267 VanDerWaalsContact C-N 3.26Å; L265-V267 PolarHBondContact O-N 3.43Å; L265-K268 PolarHBondContact O-N 3.22Å; L265-T269 PolarHBondContact O-N 3.44Å; L265-T269 PolarHBondContact O-OG1 3Å; L265-T269 VanDerWaalsContact O-OG1 3.12Å; L265-E313 HydrophobicContact CD1-CG 4.41Å; L265-E313 WeakPolarHBondContact CD2-OE1 3.22Å; L265-G488 WeakPolarHBondContact CD2-O 3.39Å; L265-G488 WeakPolarHBondContact CG-O 3.46Å; L265-R490 HydrophobicContact CD2-CG 3.77Å
266E89Confident89.6Confident7 Ų729.9 Ų29.93%0.03314%0.14CC..Hα-helixtrans-60.5-42179.5-156.9-169.6175.800110.5G79 I80 H263 V270 F486 Y487 G488 Q497G79-E266 WeakPolarHBondContact CA-OE1 3.21Å; I80-E266 HydrophobicContact CD1-CG 4.39Å; I80-E266 HydrophobicContact CG1-CG 4.4Å; I80-E266 PolarHBondContact N-OE1 2.9Å; H263-E266 WeakPolarHBondContact O-CB 3.3Å; H263-E266 PolarHBondContact O-N 2.84Å; E266-V270 WeakPolarHBondContact O-CG2 3.45Å; E266-V270 PolarHBondContact O-N 3.11Å; E266-F486 WeakPolarHBondContact OE1-CB 3.2Å; E266-Y487 VanDerWaalsContact CG-O 3.27Å; E266-Y487 WeakPolarHBondContact CG-O 3.49Å; E266-G488 WeakPolarHBondContact CA-O 3.41Å; E266-G488 PolarHBondContact N-O 2.96Å; E266-Q497 PolarHBondContact OE2-NE2 2.91Å
267V91.3Very high89.9Confident12 Ų1223.9 Ų23.97%0.07311%0.112CC..Hα-helixtrans-63.7-49.8175.3-176.10000111I80 L254 L257 M259 H263 L264 L265 V270 A271 F301I80-V267 HydrophobicContact CD1-CG2 4.1Å; L254-V267 HydrophobicContact CD2-CG1 3.68Å; L254-V267 HydrophobicContact CG-CG1 4.04Å; L257-V267 HydrophobicContact CD1-CG2 4.34Å; M259-V267 HydrophobicContact CE-CG1 3.98Å; M259-V267 HydrophobicContact SD-CG1 3.82Å; H263-V267 PolarHBondContact O-N 2.84Å; L264-V267 PolarHBondContact O-N 3.47Å; L265-V267 VanDerWaalsContact C-N 3.26Å; L265-V267 PolarHBondContact O-N 3.43Å; V267-V270 PolarHBondContact O-N 3.41Å; V267-A271 WeakPolarHBondContact O-CB 3.13Å; V267-A271 PolarHBondContact O-N 3.47Å; V267-F301 HydrophobicContact CG1-CE1 4.37Å; V267-F301 HydrophobicContact CG1-CZ 4.39Å
268K92.7Very high90.2Very high8 Ų823.4 Ų23.44%0.03511%0.109CC..Hα-helixtrans-60.8-44178.9-83.9-179.5179.4177.90113.2L264 L265 A271 G272 F301 L304 V305 H314 W317L264-K268 HydrophobicContact CG-CD 4.35Å; L264-K268 HydrophobicContact CG-CG 4.38Å; L264-K268 WeakPolarHBondContact O-CB 3.36Å; L264-K268 WeakPolarHBondContact O-CG 3.41Å; L264-K268 PolarHBondContact O-N 3.09Å; L265-K268 PolarHBondContact O-N 3.22Å; K268-A271 PolarHBondContact O-N 3.03Å; K268-G272 PolarHBondContact O-N 3.39Å; K268-F301 HydrophobicContact CG-CD1 3.94Å; K268-F301 HydrophobicContact CG-CE1 4.11Å; K268-L304 WeakPolarHBondContact CE-O 3.44Å; K268-L304 PolarHBondContact NZ-O 2.97Å; K268-V305 PolarHBondContact NZ-O 3.44Å; K268-H314 PolarHBondContact NZ-ND1 2.83Å; K268-W317 HydrophobicContact CB-CD2 4.19Å; K268-W317 HydrophobicContact CB-CG 4.47Å; K268-W317 HydrophobicContact CB-CZ2 4.07Å; K268-W317 HydrophobicContact CD-CD2 4.03Å; K268-W317 HydrophobicContact CD-CE3 4.1Å; K268-W317 HydrophobicContact CD-CG 4.39Å; K268-W317 HydrophobicContact CG-CD2 4.23Å; K268-W317 HydrophobicContact CG-CE3 4.43Å; K268-W317 HydrophobicContact CG-CH2 4.38Å; K268-W317 HydrophobicContact CG-CZ2 4.17Å; K268-W317 WeakPolarHBondContact O-CZ2 3.5Å; K268-W317 PolarHBondContact O-NE1 3.3Å; K268-W317 VanDerWaalsContact O-NE1 3.1Å
269T92.2Very high90.6Very high4 Ų414.1 Ų14.13%0.0257%0.074CC..Hα-helixtrans-61-49.3177.9-610000110.4L265 G272 F273 G488L265-T269 PolarHBondContact O-N 3.44Å; L265-T269 PolarHBondContact O-OG1 3Å; L265-T269 VanDerWaalsContact O-OG1 3.12Å; T269-G272 PolarHBondContact O-N 2.9Å; T269-F273 HydrophobicContact CG2-CD1 4.43Å; T269-F273 HydrophobicContact CG2-CE1 3.75Å; T269-F273 HydrophobicContact CG2-CE2 4.03Å; T269-F273 HydrophobicContact CG2-CZ 3.52Å; T269-F273 WeakPolarHBondContact O-CD1 3.27Å; T269-F273 VanDerWaalsContact O-CG 3.32Å; T269-F273 WeakPolarHBondContact O-CG 3.3Å; T269-F273 PolarHBondContact O-N 3.14Å; T269-G488 WeakPolarHBondContact OG1-CA 3.48Å
270V93.2Very high91.1Very high1 Ų114.1 Ų14.11%0.0067%0.072CC..Hα-helixtrans-71.7-32.5179.3-178.80000112.3I80 L81 V224 L254 E266 V267 F273 I274I80-V270 HydrophobicContact CB-CG2 4.18Å; I80-V270 HydrophobicContact CG2-CB 4.26Å; I80-V270 HydrophobicContact CG2-CG1 3.87Å; I80-V270 HydrophobicContact CG2-CG2 4.12Å; L81-V270 HydrophobicContact CB-CG1 4.4Å; L81-V270 HydrophobicContact CB-CG2 3.83Å; V224-V270 HydrophobicContact CG1-CG1 4.44Å; L254-V270 HydrophobicContact CD1-CB 4.18Å; L254-V270 HydrophobicContact CD1-CG1 4.03Å; E266-V270 WeakPolarHBondContact O-CG2 3.45Å; E266-V270 PolarHBondContact O-N 3.11Å; V267-V270 PolarHBondContact O-N 3.41Å; V270-F273 PolarHBondContact O-N 3.31Å; V270-I274 HydrophobicContact CG1-CD1 3.85Å; V270-I274 HydrophobicContact CG1-CG1 4.35Å; V270-I274 WeakPolarHBondContact O-CG1 3.48Å; V270-I274 PolarHBondContact O-N 3.47Å
271A94.8Very high91.5Very high0 Ų012.7 Ų12.70%06%0.064CC..Hα-helixtrans-61.1-46.9172.900000111.2L254 V267 K268 F273 I274 N275 F301L254-A271 HydrophobicContact CD1-CB 4.08Å; L254-A271 HydrophobicContact CD2-CB 3.67Å; V267-A271 WeakPolarHBondContact O-CB 3.13Å; V267-A271 PolarHBondContact O-N 3.47Å; K268-A271 PolarHBondContact O-N 3.03Å; A271-F273 VanDerWaalsContact C-N 3.34Å; A271-F273 PolarHBondContact O-N 3.33Å; A271-I274 PolarHBondContact O-N 2.88Å; A271-N275 WeakPolarHBondContact O-CB 3.48Å; A271-N275 PolarHBondContact O-N 3.13Å; A271-F301 HydrophobicContact CB-CE2 3.67Å; A271-F301 HydrophobicContact CB-CZ 3.6Å
272G94.3Very high91.9Very high2 Ų29 Ų92%0.0215%0.046CC..Hα-helixtrans-61.2-40.5174.700000112.2K268 T269 N275 Y276K268-G272 PolarHBondContact O-N 3.39Å; T269-G272 PolarHBondContact O-N 2.9Å; G272-N275 PolarHBondContact O-N 3.25Å; G272-Y276 VanDerWaalsContact O-CB 3.25Å; G272-Y276 WeakPolarHBondContact O-CB 3.38Å; G272-Y276 PolarHBondContact O-N 2.89Å
273F95.1Very high92.5Very high9 Ų99.1 Ų9.14%0.0394%0.043CC..Hα-helixtrans-65.5-42.3177.2-67.73.3000112.8L7 P8 L11 L81 T269 V270 A271 K277 Y487L7-F273 HydrophobicContact CD2-CD1 3.77Å; L7-F273 HydrophobicContact CD2-CE1 3.8Å; P8-F273 VanDerWaalsContact CD-CZ 3.44Å; P8-F273 HydrophobicContact CG-CE1 4.31Å; P8-F273 HydrophobicContact CG-CE2 3.83Å; P8-F273 HydrophobicContact CG-CZ 3.57Å; L11-F273 HydrophobicContact CD1-CB 4.23Å; L11-F273 HydrophobicContact CD2-CB 3.76Å; L11-F273 HydrophobicContact CD2-CD1 3.82Å; L11-F273 HydrophobicContact CD2-CD2 4.38Å; L11-F273 HydrophobicContact CD2-CG 3.74Å; L81-F273 HydrophobicContact CD2-CD2 4.24Å; T269-F273 HydrophobicContact CG2-CD1 4.43Å; T269-F273 HydrophobicContact CG2-CE1 3.75Å; T269-F273 HydrophobicContact CG2-CE2 4.03Å; T269-F273 HydrophobicContact CG2-CZ 3.52Å; T269-F273 WeakPolarHBondContact O-CD1 3.27Å; T269-F273 VanDerWaalsContact O-CG 3.32Å; T269-F273 WeakPolarHBondContact O-CG 3.3Å; T269-F273 PolarHBondContact O-N 3.14Å; V270-F273 PolarHBondContact O-N 3.31Å; A271-F273 VanDerWaalsContact C-N 3.34Å; A271-F273 PolarHBondContact O-N 3.33Å; F273-K277 PolarHBondContact O-N 2.9Å; F273-Y487 AromaticContact CE2-CD1 3.68Å; F273-Y487 HydrophobicContact CE2-CD1 3.68Å; F273-Y487 AromaticContact CE2-CD2 3.97Å; F273-Y487 HydrophobicContact CE2-CD2 3.97Å; F273-Y487 HydrophobicContact CE2-CE1 4.07Å; F273-Y487 HydrophobicContact CE2-CE2 4.31Å; F273-Y487 AromaticContact CE2-CG 3.62Å; F273-Y487 HydrophobicContact CE2-CG 3.62Å; F273-Y487 HydrophobicContact CZ-CD1 4.02Å; F273-Y487 HydrophobicContact CZ-CE1 4.45Å; F273-Y487 HydrophobicContact CZ-CG 4.31Å
274I96.9Very high92.7Very high0 Ų014.2 Ų14.20%07%0.067CC..Hα-helixtrans-67.7-46175.5-68.8165.2000110V224 F228 Y247 A250 Y251 L254 V270 A271 Y276 K277 I278V224-I274 HydrophobicContact CG1-CD1 4.08Å; F228-I274 HydrophobicContact CD2-CD1 4.44Å; F228-I274 HydrophobicContact CD2-CG1 3.78Å; F228-I274 HydrophobicContact CE2-CG1 4.3Å; Y247-I274 HydrophobicContact CD1-CG2 4.44Å; Y247-I274 WeakPolarHBondContact O-CG2 3.36Å; A250-I274 HydrophobicContact CB-CD1 3.87Å; A250-I274 HydrophobicContact CB-CG1 4.42Å; A250-I274 HydrophobicContact CB-CG2 4.48Å; Y251-I274 HydrophobicContact CD2-CB 4.46Å; Y251-I274 HydrophobicContact CD2-CG2 3.94Å; Y251-I274 HydrophobicContact CG-CG2 4.36Å; L254-I274 HydrophobicContact CD1-CD1 4.03Å; V270-I274 HydrophobicContact CG1-CD1 3.85Å; V270-I274 HydrophobicContact CG1-CG1 4.35Å; V270-I274 WeakPolarHBondContact O-CG1 3.48Å; V270-I274 PolarHBondContact O-N 3.47Å; A271-I274 PolarHBondContact O-N 2.88Å; I274-Y276 VanDerWaalsContact C-N 3.35Å; I274-Y276 PolarHBondContact O-N 3.15Å; I274-K277 PolarHBondContact O-N 3.39Å; I274-K277 VanDerWaalsContact O-N 3.13Å; I274-I278 HydrophobicContact CG2-CD1 3.76Å; I274-I278 HydrophobicContact CG2-CG1 4.24Å; I274-I278 WeakPolarHBondContact O-CG1 3.32Å; I274-I278 PolarHBondContact O-N 3.49Å
275N96.2Very high92.4Very high3 Ų320.7 Ų20.72%0.01610%0.102CC..Hα-helixtrans-62.3-41-179.7-16961.9000111.8Y251 A271 G272 K277 I278 C279 Q293 H297Y251-N275 HydrophobicContact CE2-CB 4.34Å; A271-N275 WeakPolarHBondContact O-CB 3.48Å; A271-N275 PolarHBondContact O-N 3.13Å; G272-N275 PolarHBondContact O-N 3.25Å; N275-K277 PolarHBondContact O-N 3.44Å; N275-I278 PolarHBondContact O-N 2.83Å; N275-C279 WeakPolarHBondContact O-CB 3.16Å; N275-C279 PolarHBondContact O-N 3.05Å; N275-C279 PolarHBondContact O-SG 3.43Å; N275-Q293 WeakPolarHBondContact OD1-CG 3.22Å; N275-Q293 PolarHBondContact OD1-NE2 3.27Å; N275-H297 PolarHBondContact ND2-CD2 2.81Å
276Y95.8Very high92.1Very high16 Ų1623 Ų236%0.06311%0.114CC..Hα-helixtrans-54.2-49.7170170.2-100.8000112L7 L11 G272 I274 C279 R280 I324 L328L7-Y276 HydrophobicContact CD1-CD1 4.36Å; L7-Y276 HydrophobicContact CD1-CD2 3.71Å; L7-Y276 HydrophobicContact CD1-CE2 3.88Å; L7-Y276 HydrophobicContact CD1-CG 3.96Å; L11-Y276 HydrophobicContact CD2-CD1 3.69Å; L11-Y276 HydrophobicContact CD2-CE1 4.28Å; L11-Y276 HydrophobicContact CD2-CG 4.39Å; L11-Y276 HydrophobicContact CG-CD1 3.83Å; L11-Y276 HydrophobicContact CG-CE1 4.08Å; G272-Y276 VanDerWaalsContact O-CB 3.25Å; G272-Y276 WeakPolarHBondContact O-CB 3.38Å; G272-Y276 PolarHBondContact O-N 2.89Å; I274-Y276 VanDerWaalsContact C-N 3.35Å; I274-Y276 PolarHBondContact O-N 3.15Å; Y276-C279 PolarHBondContact O-N 3.17Å; Y276-R280 VanDerWaalsContact O-CB 3.3Å; Y276-R280 WeakPolarHBondContact O-CB 3.27Å; Y276-R280 PolarHBondContact O-N 2.78Å; Y276-R280 PolarHBondContact OH-NH1 3.47Å; Y276-I324 HydrophobicContact CD2-CG2 3.54Å; Y276-I324 HydrophobicContact CE2-CG2 4.24Å; Y276-I324 HydrophobicContact CG-CG2 4.48Å; Y276-L328 HydrophobicContact CD2-CD1 3.76Å; Y276-L328 HydrophobicContact CD2-CD2 4.34Å; Y276-L328 HydrophobicContact CD2-CG 4.25Å; Y276-L328 HydrophobicContact CE2-CD1 4.01Å; Y276-L328 HydrophobicContact CE2-CD2 3.73Å; Y276-L328 HydrophobicContact CE2-CG 4.04Å
277K95.9Very high91.9Very high3 Ų323.4 Ų23.41%0.01312%0.118CC..Hα-helixtrans-64.7-41.5178.2-77-71-174.5172.90112.7L11 E235 Y247 F273 I274 N275 L281L11-K277 HydrophobicContact CD1-CD 4.48Å; L11-K277 HydrophobicContact CD1-CG 3.94Å; L11-K277 WeakPolarHBondContact O-CE 3.44Å; L11-K277 PolarHBondContact O-NZ 2.94Å; E235-K277 WeakPolarHBondContact OE1-CD 3.34Å; E235-K277 WeakPolarHBondContact OE1-CE 3.41Å; E235-K277 IonicContact OE1-NZ 2.75Å; E235-K277 PolarHBondContact OE1-NZ 3.05Å; E235-K277 IonicContact OE2-NZ 2.61Å; E235-K277 PolarHBondContact OE2-NZ 3.33Å; Y247-K277 HydrophobicContact CD1-CB 4.12Å; Y247-K277 HydrophobicContact CD2-CB 3.88Å; Y247-K277 HydrophobicContact CE1-CB 4.09Å; Y247-K277 HydrophobicContact CE1-CG 4.17Å; Y247-K277 HydrophobicContact CE2-CB 3.83Å; Y247-K277 HydrophobicContact CE2-CD 4.18Å; Y247-K277 HydrophobicContact CE2-CG 4.08Å; Y247-K277 HydrophobicContact CG-CB 4.05Å; F273-K277 PolarHBondContact O-N 2.9Å; I274-K277 PolarHBondContact O-N 3.39Å; I274-K277 VanDerWaalsContact O-N 3.13Å; N275-K277 PolarHBondContact O-N 3.44Å; K277-L281 WeakPolarHBondContact O-CB 3.48Å; K277-L281 WeakPolarHBondContact O-CG 3.19Å; K277-L281 PolarHBondContact O-N 3.2Å; K277-L281 VanDerWaalsContact O-N 3.09Å
278I96.3Very high91.6Very high2 Ų225.8 Ų25.81%0.0114%0.136CC..Hα-helixtrans-62.4-52.4175.2-62.6169.6000110.2L244 Q248 Y251 I274 N275 R280 L281 A282 Q293L244-I278 HydrophobicContact CD1-CB 4.36Å; L244-I278 HydrophobicContact CD1-CG2 3.82Å; Q248-I278 HydrophobicContact CG-CD1 4.17Å; Q248-I278 HydrophobicContact CG-CG1 4.36Å; Q248-I278 HydrophobicContact CG-CG2 4.25Å; Y251-I278 HydrophobicContact CD2-CD1 4.36Å; Y251-I278 HydrophobicContact CG-CD1 4.18Å; I274-I278 HydrophobicContact CG2-CD1 3.76Å; I274-I278 HydrophobicContact CG2-CG1 4.24Å; I274-I278 WeakPolarHBondContact O-CG1 3.32Å; I274-I278 PolarHBondContact O-N 3.49Å; N275-I278 PolarHBondContact O-N 2.83Å; I278-R280 PolarHBondContact O-N 3.41Å; I278-L281 PolarHBondContact O-N 3.29Å; I278-A282 WeakPolarHBondContact O-CB 3.48Å; I278-A282 PolarHBondContact O-N 3.37Å; I278-Q293 HydrophobicContact CB-CG 4.35Å; I278-Q293 HydrophobicContact CG2-CB 4.4Å; I278-Q293 HydrophobicContact CG2-CG 3.73Å
279C94.8Very high91.4Very high1 Ų129.5 Ų29.51%0.00716%0.156CC..Hα-helixtrans-61.4-42.7-178.3-700000112N275 Y276 A282 F283 A290 L325 L328N275-C279 WeakPolarHBondContact O-CB 3.16Å; N275-C279 PolarHBondContact O-N 3.05Å; N275-C279 PolarHBondContact O-SG 3.43Å; Y276-C279 PolarHBondContact O-N 3.17Å; C279-A282 PolarHBondContact O-N 2.9Å; C279-F283 WeakPolarHBondContact O-CB 3.48Å; C279-F283 WeakPolarHBondContact O-CD2 3.43Å; C279-F283 PolarHBondContact O-N 3.42Å; C279-A290 HydrophobicContact CB-CB 4.48Å; C279-L325 HydrophobicContact CB-CD1 3.93Å; C279-L328 HydrophobicContact CB-CD1 3.96Å
280R93.2Very high91.4Very high46 Ų4629.3 Ų29.317%0.17416%0.155CC..Hα-helixtrans-66.5-41.6179.7-168.5170.6-162.9-157.4-2.8112.9C12 Y276 I278 L328 E331C12-R280 PolarHBondContact O-NH1 3.4Å; Y276-R280 VanDerWaalsContact O-CB 3.3Å; Y276-R280 WeakPolarHBondContact O-CB 3.27Å; Y276-R280 PolarHBondContact O-N 2.78Å; Y276-R280 PolarHBondContact OH-NH1 3.47Å; I278-R280 PolarHBondContact O-N 3.41Å; R280-L328 HydrophobicContact CB-CD1 4.09Å; R280-L328 HydrophobicContact CB-CD2 3.73Å; R280-L328 HydrophobicContact CG-CD2 3.61Å; R280-E331 IonicContact CZ-OE1 3.19Å; R280-E331 IonicContact CZ-OE2 2.84Å; R280-E331 IonicContact NE-OE1 2.62Å; R280-E331 IonicContact NE-OE2 3.72Å; R280-E331 PolarHBondContact NE-OE2 3.31Å; R280-E331 IonicContact NH2-OE1 2.69Å; R280-E331 PolarHBondContact NH2-OE1 3.02Å; R280-E331 IonicContact NH2-OE2 3.52Å; R280-E331 PolarHBondContact NH2-OE2 3.38Å
281L91.6Very high91.3Very high16 Ų1629.5 Ų29.58%0.08416%0.156CC..Hα-helixtrans-70-36.2174.2-69.9172.8000111.7P240 A243 L244 Y247 K277 I278 Q284P240-L281 HydrophobicContact CB-CD2 3.94Å; A243-L281 HydrophobicContact CB-CD1 4.07Å; L244-L281 HydrophobicContact CB-CB 4.42Å; L244-L281 HydrophobicContact CB-CD1 4.23Å; L244-L281 HydrophobicContact CD1-CB 4.16Å; Y247-L281 HydrophobicContact CD2-CD1 3.94Å; Y247-L281 HydrophobicContact CE2-CD1 4.31Å; K277-L281 WeakPolarHBondContact O-CB 3.48Å; K277-L281 WeakPolarHBondContact O-CG 3.19Å; K277-L281 PolarHBondContact O-N 3.2Å; K277-L281 VanDerWaalsContact O-N 3.09Å; I278-L281 PolarHBondContact O-N 3.29Å; L281-Q284 PolarHBondContact O-N 2.94Å
282A91.2Very high91.1Very high7 Ų731.8 Ų31.86%0.05817%0.172CC..Hα-helixtrans-67.8-41.4176.600000112.1I278 C279 Q284 N285 N286 D289 A290I278-A282 WeakPolarHBondContact O-CB 3.48Å; I278-A282 PolarHBondContact O-N 3.37Å; C279-A282 PolarHBondContact O-N 2.9Å; A282-Q284 PolarHBondContact O-N 3.07Å; A282-Q284 VanDerWaalsContact O-N 3.15Å; A282-N285 PolarHBondContact O-N 2.74Å; A282-N286 CarbonylContact O-C 3.56Å; A282-N286 PolarHBondContact O-N 2.88Å; A282-N286 VanDerWaalsContact O-O 3.11Å; A282-D289 HydrophobicContact CB-CB 4.41Å; A282-A290 HydrophobicContact CB-CB 3.78Å
283F89.7Confident91.1Very high17 Ų1732.6 Ų32.68%0.07518%0.175CC..Hα-helixtrans-60.1-23.3176.3-87.3-57.9000114C279 N285 A287 A290 L325 L328 F329 A332 L337C279-F283 WeakPolarHBondContact O-CB 3.48Å; C279-F283 WeakPolarHBondContact O-CD2 3.43Å; C279-F283 PolarHBondContact O-N 3.42Å; F283-N285 VanDerWaalsContact C-N 3.26Å; F283-N285 PolarHBondContact O-N 3.37Å; F283-A287 HydrophobicContact CD1-CB 3.81Å; F283-A287 HydrophobicContact CE1-CB 3.93Å; F283-A290 HydrophobicContact CD1-CB 3.96Å; F283-A290 HydrophobicContact CD2-CB 3.82Å; F283-A290 HydrophobicContact CE1-CB 4.01Å; F283-A290 HydrophobicContact CE2-CB 3.87Å; F283-A290 HydrophobicContact CG-CB 3.85Å; F283-A290 HydrophobicContact CZ-CB 3.96Å; F283-L325 HydrophobicContact CE2-CD1 3.81Å; F283-L325 HydrophobicContact CE2-CG 4.3Å; F283-L325 HydrophobicContact CZ-CD1 4.27Å; F283-L325 HydrophobicContact CZ-CG 4.44Å; F283-L328 HydrophobicContact CD2-CB 3.91Å; F283-L328 HydrophobicContact CE2-CB 3.83Å; F283-F329 HydrophobicContact CE1-CB 4.29Å; F283-F329 HydrophobicContact CE1-CD1 4.24Å; F283-F329 HydrophobicContact CE1-CD2 4.12Å; F283-F329 AromaticContact CE1-CG 3.96Å; F283-F329 HydrophobicContact CE1-CG 3.96Å; F283-F329 HydrophobicContact CE2-CB 4.46Å; F283-F329 HydrophobicContact CZ-CB 3.84Å; F283-F329 HydrophobicContact CZ-CD1 4Å; F283-F329 HydrophobicContact CZ-CD2 4.48Å; F283-F329 AromaticContact CZ-CG 3.87Å; F283-F329 HydrophobicContact CZ-CG 3.87Å; F283-A332 HydrophobicContact CB-CB 3.95Å; F283-A332 HydrophobicContact CD1-CB 3.85Å; F283-A332 HydrophobicContact CG-CB 4.01Å; F283-L337 HydrophobicContact CD1-CD2 4.19Å; F283-L337 HydrophobicContact CE1-CD2 4.39Å
284Q84.4Confident91.1Very high135 Ų13532.3 Ų32.363%0.63117%0.174SC*.THydrogen-bonded Turntrans-75.6-11.2174.6-67.5171.7-3.200113.6L281 A282L281-Q284 PolarHBondContact O-N 2.94Å; A282-Q284 PolarHBondContact O-N 3.07Å; A282-Q284 VanDerWaalsContact O-N 3.15Å
285N82.6Confident90.8Very high139 Ų13937.1 Ų37.174%0.74319%0.192SC*.THydrogen-bonded Turntrans-128.2-50-175179.375.6000112.9A282 F283A282-N285 PolarHBondContact O-N 2.74Å; F283-N285 VanDerWaalsContact C-N 3.26Å; F283-N285 PolarHBondContact O-N 3.37Å
286N83Confident90.7Very high56 Ų5645.3 Ų45.330%0.29922%0.223SC..  trans-152.2110.3179.3177.714.9000111A282 S288 D289A282-N286 CarbonylContact O-C 3.56Å; A282-N286 PolarHBondContact O-N 2.88Å; A282-N286 VanDerWaalsContact O-O 3.11Å; N286-S288 PolarHBondContact ND2-OG 3.42Å; N286-S288 PolarHBondContact O-N 3.4Å; N286-S288 PolarHBondContact OD1-N 3.43Å; N286-S288 PolarHBondContact OD1-OG 3.21Å; N286-D289 HydrophobicContact CB-CB 4.47Å; N286-D289 WeakPolarHBondContact CB-OD2 3.28Å; N286-D289 PolarHBondContact ND2-OD2 3.28Å; N286-D289 PolarHBondContact O-N 2.8Å
287A84.6Confident90.7Very high14 Ų1444.6 Ų44.612%0.11622%0.22CC..Hα-helixtrans-63.2-27.6178.300000113.8F283 D289 A290 I291 L337F283-A287 HydrophobicContact CD1-CB 3.81Å; F283-A287 HydrophobicContact CE1-CB 3.93Å; A287-D289 VanDerWaalsContact C-N 3.31Å; A287-D289 PolarHBondContact O-N 3.37Å; A287-A290 PolarHBondContact O-N 3.45Å; A287-I291 VanDerWaalsContact O-CG1 3.31Å; A287-I291 WeakPolarHBondContact O-CG1 3.45Å; A287-I291 PolarHBondContact O-N 3.38Å; A287-L337 HydrophobicContact CB-CD1 3.74Å; A287-L337 HydrophobicContact CB-CD2 3.6Å; A287-L337 HydrophobicContact CB-CG 4.33Å
288S85.4Confident90.6Very high62 Ų6244.5 Ų44.543%0.43422%0.219SC..Hα-helixtrans-69.7-29.4179.566.90000112.4N286 S292N286-S288 PolarHBondContact ND2-OG 3.42Å; N286-S288 PolarHBondContact O-N 3.4Å; N286-S288 PolarHBondContact OD1-N 3.43Å; N286-S288 PolarHBondContact OD1-OG 3.21Å; S288-S292 WeakPolarHBondContact O-CB 3.42Å; S288-S292 PolarHBondContact O-N 3.43Å; S288-S292 PolarHBondContact O-OG 3.06Å
289D89Confident90.3Very high87 Ų8748.9 Ų48.947%0.46524%0.243SC..Hα-helixtrans-70.6-41.8172.8-71.9-40.2000111.4A282 N286 A287 S292 Q293A282-D289 HydrophobicContact CB-CB 4.41Å; N286-D289 HydrophobicContact CB-CB 4.47Å; N286-D289 WeakPolarHBondContact CB-OD2 3.28Å; N286-D289 PolarHBondContact ND2-OD2 3.28Å; N286-D289 PolarHBondContact O-N 2.8Å; A287-D289 VanDerWaalsContact C-N 3.31Å; A287-D289 PolarHBondContact O-N 3.37Å; D289-S292 PolarHBondContact O-N 2.66Å; D289-Q293 VanDerWaalsContact O-CB 3.32Å; D289-Q293 WeakPolarHBondContact O-CB 3.26Å; D289-Q293 PolarHBondContact O-N 2.82Å
290A91.4Very high90.1Very high0 Ų052.6 Ų52.60%026%0.259CS..Hα-helixtrans-60.7-47.4175.600000111.7C279 A282 F283 A287 S292 Q293 F294C279-A290 HydrophobicContact CB-CB 4.48Å; A282-A290 HydrophobicContact CB-CB 3.78Å; F283-A290 HydrophobicContact CD1-CB 3.96Å; F283-A290 HydrophobicContact CD2-CB 3.82Å; F283-A290 HydrophobicContact CE1-CB 4.01Å; F283-A290 HydrophobicContact CE2-CB 3.87Å; F283-A290 HydrophobicContact CG-CB 3.85Å; F283-A290 HydrophobicContact CZ-CB 3.96Å; A287-A290 PolarHBondContact O-N 3.45Å; A290-S292 PolarHBondContact O-N 3.39Å; A290-Q293 PolarHBondContact O-N 3.19Å; A290-F294 WeakPolarHBondContact O-CB 3.49Å; A290-F294 PolarHBondContact O-N 3.35Å
291I90.1Very high90.1Very high4 Ų450.4 Ų50.42%0.02125%0.251CS..Hα-helixtrans-65.4-39.4178.1-66.9167.2000110.9A287 F294 R295 F329A287-I291 VanDerWaalsContact O-CG1 3.31Å; A287-I291 WeakPolarHBondContact O-CG1 3.45Å; A287-I291 PolarHBondContact O-N 3.38Å; I291-F294 PolarHBondContact O-N 2.99Å; I291-R295 WeakPolarHBondContact O-CB 3.46Å; I291-R295 WeakPolarHBondContact O-CG 3.31Å; I291-R295 PolarHBondContact O-N 3.46Å; I291-F329 HydrophobicContact CD1-CE1 3.64Å; I291-F329 HydrophobicContact CD1-CZ 3.95Å; I291-F329 HydrophobicContact CG1-CE1 4.24Å
292S90.9Very high89.9Confident48 Ų4851.2 Ų51.234%0.33626%0.259SS..Hα-helixtrans-69.1-41.6178.5-62.50000112.6S288 D289 A290 R295 R296S288-S292 WeakPolarHBondContact O-CB 3.42Å; S288-S292 PolarHBondContact O-N 3.43Å; S288-S292 PolarHBondContact O-OG 3.06Å; D289-S292 PolarHBondContact O-N 2.66Å; A290-S292 PolarHBondContact O-N 3.39Å; S292-R295 PolarHBondContact O-N 3.33Å; S292-R296 WeakPolarHBondContact O-CG 3.38Å; S292-R296 PolarHBondContact O-N 2.93Å; S292-R296 VanDerWaalsContact O-N 3.11Å
293Q94.6Very high89.5Confident20 Ų2057.1 Ų57.19%0.09329%0.29CS..Hα-helixtrans-59.1-49.3171.4168.861.122.500110.6N275 I278 D289 A290 R295 R296 H297N275-Q293 WeakPolarHBondContact OD1-CG 3.22Å; N275-Q293 PolarHBondContact OD1-NE2 3.27Å; I278-Q293 HydrophobicContact CB-CG 4.35Å; I278-Q293 HydrophobicContact CG2-CB 4.4Å; I278-Q293 HydrophobicContact CG2-CG 3.73Å; D289-Q293 VanDerWaalsContact O-CB 3.32Å; D289-Q293 WeakPolarHBondContact O-CB 3.26Å; D289-Q293 PolarHBondContact O-N 2.82Å; A290-Q293 PolarHBondContact O-N 3.19Å; Q293-R295 VanDerWaalsContact C-N 3.34Å; Q293-R295 PolarHBondContact O-N 3.48Å; Q293-R296 WeakPolarHBondContact O-CB 3.35Å; Q293-R296 PolarHBondContact O-N 3.39Å; Q293-R296 VanDerWaalsContact O-N 3.14Å; Q293-H297 PolarHBondContact O-N 2.92Å
294F94.8Very high89.5Confident3 Ų358.5 Ų58.51%0.01330%0.298CS..Hα-helixtrans-62.4-39.9-178.9-174.9-92.7000112.6A290 I291 R296 H297 I298 Q321 F322 L325 Y348A290-F294 WeakPolarHBondContact O-CB 3.49Å; A290-F294 PolarHBondContact O-N 3.35Å; I291-F294 PolarHBondContact O-N 2.99Å; F294-R296 PolarHBondContact O-N 3.12Å; F294-H297 WeakPolarHBondContact O-CB 3.43Å; F294-H297 PolarHBondContact O-N 3.36Å; F294-I298 HydrophobicContact CD1-CG1 3.88Å; F294-I298 HydrophobicContact CE1-CD1 4.06Å; F294-I298 HydrophobicContact CE1-CG1 3.35Å; F294-I298 HydrophobicContact CE2-CD1 4.3Å; F294-I298 HydrophobicContact CE2-CG1 4.21Å; F294-I298 HydrophobicContact CZ-CD1 3.71Å; F294-I298 HydrophobicContact CZ-CG1 3.54Å; F294-I298 PolarHBondContact O-N 3.01Å; F294-Q321 HydrophobicContact CE2-CB 4.09Å; F294-Q321 VanDerWaalsContact CE2-O 3.25Å; F294-Q321 WeakPolarHBondContact CE2-O 3.28Å; F294-Q321 HydrophobicContact CZ-CB 4.27Å; F294-Q321 WeakPolarHBondContact CZ-O 3.24Å; F294-F322 AromaticContact CE1-CD1 3.74Å; F294-F322 HydrophobicContact CE1-CD1 3.74Å; F294-F322 AromaticContact CE1-CE1 3.57Å; F294-F322 HydrophobicContact CE1-CE1 3.57Å; F294-F322 HydrophobicContact CE1-CG 4.4Å; F294-F322 HydrophobicContact CE1-CZ 4.11Å; F294-F322 AromaticContact CZ-CD1 3.88Å; F294-F322 HydrophobicContact CZ-CD1 3.88Å; F294-F322 HydrophobicContact CZ-CE1 4.1Å; F294-F322 HydrophobicContact CZ-CG 4.11Å; F294-L325 HydrophobicContact CB-CD1 3.91Å; F294-L325 HydrophobicContact CB-CD2 3.95Å; F294-L325 HydrophobicContact CD1-CD2 3.62Å; F294-L325 HydrophobicContact CD2-CB 3.93Å; F294-L325 HydrophobicContact CD2-CD1 3.69Å; F294-L325 HydrophobicContact CD2-CD2 3.99Å; F294-L325 HydrophobicContact CD2-CG 4.06Å; F294-L325 HydrophobicContact CE1-CD2 4.05Å; F294-L325 HydrophobicContact CE2-CB 3.78Å; F294-L325 HydrophobicContact CE2-CD1 4.41Å; F294-L325 HydrophobicContact CE2-CD2 4.4Å; F294-L325 HydrophobicContact CE2-CG 4.4Å; F294-L325 HydrophobicContact CG-CB 4.38Å; F294-L325 HydrophobicContact CG-CD1 3.87Å; F294-L325 HydrophobicContact CG-CD2 3.57Å; F294-L325 HydrophobicContact CG-CG 4.12Å; F294-L325 HydrophobicContact CZ-CB 4.11Å; F294-L325 HydrophobicContact CZ-CD2 4.43Å; F294-Y348 HydrophobicContact CD1-CE1 4.39Å; F294-Y348 HydrophobicContact CE1-CD1 4.28Å; F294-Y348 HydrophobicContact CE1-CE1 4.47Å
295R92.3Very high89.5Confident101 Ų10154.7 Ų54.738%0.38128%0.284SS..Hα-helixtrans-60.4-42.2173.2-77.8173.3170.5166.1-1.8112.2I291 S292 Q293 N299I291-R295 WeakPolarHBondContact O-CB 3.46Å; I291-R295 WeakPolarHBondContact O-CG 3.31Å; I291-R295 PolarHBondContact O-N 3.46Å; S292-R295 PolarHBondContact O-N 3.33Å; Q293-R295 VanDerWaalsContact C-N 3.34Å; Q293-R295 PolarHBondContact O-N 3.48Å; R295-N299 VanDerWaalsContact O-CB 3.28Å; R295-N299 WeakPolarHBondContact O-CB 3.38Å; R295-N299 PolarHBondContact O-N 3.33Å; R295-N299 PolarHBondContact O-OD1 2.71Å
296R93.6Very high89.6Confident175 Ų17548.6 Ų48.666%0.6625%0.254SS*.Hα-helixtrans-62.7-42.3173.4-67170.4-169.6169.94.4111.7S292 Q293 F294 F300S292-R296 WeakPolarHBondContact O-CG 3.38Å; S292-R296 PolarHBondContact O-N 2.93Å; S292-R296 VanDerWaalsContact O-N 3.11Å; Q293-R296 WeakPolarHBondContact O-CB 3.35Å; Q293-R296 PolarHBondContact O-N 3.39Å; Q293-R296 VanDerWaalsContact O-N 3.14Å; F294-R296 PolarHBondContact O-N 3.12Å; R296-F300 WeakPolarHBondContact O-CB 3.15Å; R296-F300 PolarHBondContact O-N 3.45Å
297H95.7Very high89.7Confident0 Ų047.2 Ų47.20%025%0.246CC..Hα-helixtrans-61.1-52.6178.5178.868.1000112.3Y251 N275 Q293 F294 F300 F301 W317Y251-H297 AromaticContact CE2-ND1 3.53Å; Y251-H297 AromaticContact CZ-ND1 3.62Å; Y251-H297 WeakPolarHBondContact OH-CA 3.03Å; Y251-H297 PolarHBondContact OH-ND1 3.35Å; N275-H297 PolarHBondContact ND2-CD2 2.81Å; Q293-H297 PolarHBondContact O-N 2.92Å; F294-H297 WeakPolarHBondContact O-CB 3.43Å; F294-H297 PolarHBondContact O-N 3.36Å; H297-F300 PolarHBondContact O-N 3.38Å; H297-F301 AromaticContact CE1-CD2 3.58Å; H297-F301 AromaticContact CE1-CE2 3.69Å; H297-F301 AromaticContact ND1-CD2 3.57Å; H297-F301 AromaticContact ND1-CE2 3.66Å; H297-F301 WeakPolarHBondContact O-CD2 3.42Å; H297-F301 PolarHBondContact O-N 2.91Å; H297-F301 VanDerWaalsContact O-N 3.1Å; H297-W317 AromaticContact CE1-CH2 3.69Å; H297-W317 AromaticContact CE1-CZ2 3.81Å; H297-W317 AromaticContact NE2-CH2 3.39Å; H297-W317 WeakPolarHBondContact NE2-CH2 3.35Å; H297-W317 AromaticContact NE2-CZ2 3.56Å
298I93.2Very high89.6Confident2 Ų250.7 Ų50.71%0.0127%0.267CS..Hα-helixtrans-61-47.9176.8-69-57.8000111.2F294 F300 F301 A302 M318 Q321 F322 F448F294-I298 HydrophobicContact CD1-CG1 3.88Å; F294-I298 HydrophobicContact CE1-CD1 4.06Å; F294-I298 HydrophobicContact CE1-CG1 3.35Å; F294-I298 HydrophobicContact CE2-CD1 4.3Å; F294-I298 HydrophobicContact CE2-CG1 4.21Å; F294-I298 HydrophobicContact CZ-CD1 3.71Å; F294-I298 HydrophobicContact CZ-CG1 3.54Å; F294-I298 PolarHBondContact O-N 3.01Å; I298-F300 VanDerWaalsContact C-N 3.26Å; I298-F300 PolarHBondContact O-N 3.49Å; I298-F301 PolarHBondContact O-N 2.95Å; I298-A302 WeakPolarHBondContact O-CB 3.36Å; I298-A302 PolarHBondContact O-N 3.34Å; I298-M318 HydrophobicContact CD1-CE 4.23Å; I298-M318 HydrophobicContact CD1-SD 4.25Å; I298-M318 HydrophobicContact CG2-CE 4.11Å; I298-Q321 HydrophobicContact CD1-CB 4.12Å; I298-F322 HydrophobicContact CD1-CD2 4.24Å; I298-F322 HydrophobicContact CD1-CE2 3.74Å; I298-F322 HydrophobicContact CD1-CZ 4.08Å; I298-F322 HydrophobicContact CG1-CE2 4.08Å; I298-F322 HydrophobicContact CG1-CZ 3.89Å; I298-F322 HydrophobicContact CG2-CE2 4.21Å; I298-F322 HydrophobicContact CG2-CZ 3.93Å; I298-F448 HydrophobicContact CG2-CD1 4.37Å; I298-F448 HydrophobicContact CG2-CE1 3.93Å; I298-F448 HydrophobicContact CG2-CE2 4.39Å; I298-F448 HydrophobicContact CG2-CZ 3.94Å
299N89.9Confident89.5Confident93 Ų9352.2 Ų52.250%0.49727%0.268SS..Hα-helixtrans-59.7-35.6-179.7-73.1-3000112.9R295 F448R295-N299 VanDerWaalsContact O-CB 3.28Å; R295-N299 WeakPolarHBondContact O-CB 3.38Å; R295-N299 PolarHBondContact O-N 3.33Å; R295-N299 PolarHBondContact O-OD1 2.71Å; N299-F448 VanDerWaalsContact OD1-CD1 3.24Å; N299-F448 WeakPolarHBondContact OD1-CD1 3.5Å
300F91.5Very high89.4Confident80 Ų8048.1 Ų48.135%0.35125%0.246SC..Hα-helixtrans-70.7-45.4177.1-174-88.5000112.1T255 M259 R296 H297 I298 L304T255-F300 HydrophobicContact CG2-CD1 4.12Å; T255-F300 HydrophobicContact CG2-CD2 4.31Å; T255-F300 HydrophobicContact CG2-CE1 3.89Å; T255-F300 HydrophobicContact CG2-CE2 4.09Å; T255-F300 HydrophobicContact CG2-CG 4.32Å; T255-F300 HydrophobicContact CG2-CZ 3.88Å; M259-F300 HydrophobicContact CE-CE1 3.89Å; M259-F300 HydrophobicContact CE-CZ 4.01Å; R296-F300 WeakPolarHBondContact O-CB 3.15Å; R296-F300 PolarHBondContact O-N 3.45Å; H297-F300 PolarHBondContact O-N 3.38Å; I298-F300 VanDerWaalsContact C-N 3.26Å; I298-F300 PolarHBondContact O-N 3.49Å; F300-L304 HydrophobicContact CD1-CD1 3.9Å; F300-L304 HydrophobicContact CE1-CD1 3.63Å; F300-L304 HydrophobicContact CZ-CD1 4.39Å
301F92.7Very high89.2Confident0 Ų048.8 Ų48.80%025%0.252CS..Hα-helixtrans-87.8-15.6-175.5-74.8-74.4000115.1L254 V267 K268 A271 H297 I298 N303 L304 H314 W317L254-F301 HydrophobicContact CD2-CZ 4.03Å; V267-F301 HydrophobicContact CG1-CE1 4.37Å; V267-F301 HydrophobicContact CG1-CZ 4.39Å; K268-F301 HydrophobicContact CG-CD1 3.94Å; K268-F301 HydrophobicContact CG-CE1 4.11Å; A271-F301 HydrophobicContact CB-CE2 3.67Å; A271-F301 HydrophobicContact CB-CZ 3.6Å; H297-F301 AromaticContact CE1-CD2 3.58Å; H297-F301 AromaticContact CE1-CE2 3.69Å; H297-F301 AromaticContact ND1-CD2 3.57Å; H297-F301 AromaticContact ND1-CE2 3.66Å; H297-F301 WeakPolarHBondContact O-CD2 3.42Å; H297-F301 PolarHBondContact O-N 2.91Å; H297-F301 VanDerWaalsContact O-N 3.1Å; I298-F301 PolarHBondContact O-N 2.95Å; F301-N303 VanDerWaalsContact C-N 3.31Å; F301-N303 PolarHBondContact O-N 3.47Å; F301-L304 HydrophobicContact CD1-CB 4.34Å; F301-L304 HydrophobicContact CD1-CD1 3.87Å; F301-L304 HydrophobicContact CE1-CD1 4.13Å; F301-L304 PolarHBondContact O-N 3.25Å; F301-H314 PolarHBondContact O-CE1 3.17Å; F301-W317 HydrophobicContact CB-CH2 3.66Å; F301-W317 HydrophobicContact CB-CZ3 3.59Å; F301-W317 HydrophobicContact CD1-CH2 4.35Å; F301-W317 AromaticContact CD2-CH2 3.86Å; F301-W317 HydrophobicContact CD2-CH2 3.86Å; F301-W317 AromaticContact CG-CH2 3.69Å; F301-W317 HydrophobicContact CG-CH2 3.69Å; F301-W317 HydrophobicContact CG-CZ3 4.1Å
302A86.6Confident89.2Confident32 Ų3248.6 Ų48.626%0.26425%0.251SS..THydrogen-bonded Turntrans-55.9-39.8-174.100000114.3I298 H314 M318I298-A302 WeakPolarHBondContact O-CB 3.36Å; I298-A302 PolarHBondContact O-N 3.34Å; A302-H314 WeakPolarHBondContact CA-NE2 3.39Å; A302-H314 PolarHBondContact O-NE2 3.1Å; A302-M318 HydrophobicContact CB-CE 4.16Å
303N84.3Confident89.2Confident131 Ų13146.9 Ų46.970%0.70124%0.237SC*.THydrogen-bonded Turntrans-90.2-15177.6-63.7-38.8000113.3F301 V305F301-N303 VanDerWaalsContact C-N 3.31Å; F301-N303 PolarHBondContact O-N 3.47Å; N303-V305 PolarHBondContact O-N 3.34Å
304L88.4Confident89.1Confident46 Ų4646.4 Ų46.424%0.24124%0.235CC..  trans-8172.5177-63.7178.2000108.9M259 L264 K268 F300 F301M259-L304 HydrophobicContact CB-CD2 4.49Å; M259-L304 HydrophobicContact CG-CD1 4.12Å; M259-L304 HydrophobicContact SD-CD1 4.49Å; L264-L304 HydrophobicContact CD1-CB 4.36Å; L264-L304 HydrophobicContact CD2-CB 4.1Å; L264-L304 WeakPolarHBondContact CD2-O 3.18Å; K268-L304 WeakPolarHBondContact CE-O 3.44Å; K268-L304 PolarHBondContact NZ-O 2.97Å; F300-L304 HydrophobicContact CD1-CD1 3.9Å; F300-L304 HydrophobicContact CE1-CD1 3.63Å; F300-L304 HydrophobicContact CZ-CD1 4.39Å; F301-L304 HydrophobicContact CD1-CB 4.34Å; F301-L304 HydrophobicContact CD1-CD1 3.87Å; F301-L304 HydrophobicContact CE1-CD1 4.13Å; F301-L304 PolarHBondContact O-N 3.25Å
305V85.6Confident89Confident56 Ų5646.9 Ų46.934%0.33924%0.237SC..  trans-65.2-52.6-178.5-176.80000110.7K268 N303 A311 H314K268-V305 PolarHBondContact NZ-O 3.44Å; N303-V305 PolarHBondContact O-N 3.34Å; V305-A311 HydrophobicContact CG1-CB 3.8Å; V305-H314 HydrophobicContact CG1-CB 3.93Å
306G84.8Confident89Confident10 Ų1042.2 Ų42.210%0.10322%0.22CC..  trans104.1-156.5-16900000111.5D261 P308D261-G306 VanDerWaalsContact OD1-CA 3.3Å; D261-G306 WeakPolarHBondContact OD1-CA 3.32Å; G306-P308 VanDerWaalsContact O-CD 3.29Å; G306-P308 WeakPolarHBondContact O-CD 3.25Å; G306-P308 VanDerWaalsContact O-N 3.13Å
307L84.7Confident89Confident27 Ų2734.1 Ų34.114%0.14119%0.19CC..SBendtrans-52.7116.4178.2-66.2174.2000110.4D261 Q309 L310 I511D261-L307 HydrophobicContact CB-CD2 4.02Å; D261-L307 HydrophobicContact CB-CG 4.31Å; L307-Q309 PolarHBondContact O-N 3.47Å; L307-Q309 VanDerWaalsContact O-N 3.08Å; L307-L310 HydrophobicContact CD1-CD1 4.24Å; L307-L310 CarbonylContact O-C 3.54Å; L307-L310 WeakPolarHBondContact O-CA 3.28Å; L307-L310 PolarHBondContact O-N 3.43Å; L307-I511 HydrophobicContact CD1-CD1 4.22Å
308P82.1Confident88.9Confident87 Ų8734.3 Ų34.357%0.56519%0.191SC*.G310 helixtrans-59.7-26.9-173.1-28.736.6000114.5G306 L310 A311 L366G306-P308 VanDerWaalsContact O-CD 3.29Å; G306-P308 WeakPolarHBondContact O-CD 3.25Å; G306-P308 VanDerWaalsContact O-N 3.13Å; P308-L310 PolarHBondContact O-N 2.91Å; P308-A311 PolarHBondContact O-N 3.21Å; P308-L366 WeakPolarHBondContact O-CD1 3.24Å
309Q83.8Confident89Confident94 Ų9434.7 Ų34.744%0.43919%0.194SC..G310 helixtrans-67.3-17.9175.9-57.378.97.400112.9L307 F312 I511 Q515L307-Q309 PolarHBondContact O-N 3.47Å; L307-Q309 VanDerWaalsContact O-N 3.08Å; Q309-F312 WeakPolarHBondContact O-CE1 3.43Å; Q309-I511 HydrophobicContact CB-CG2 3.9Å; Q309-Q515 PolarHBondContact O-NE2 3.17Å
310L86.8Confident89.2Confident2 Ų231.9 Ų31.91%0.0118%0.177CC..G310 helixtrans-11627.1179.1-61.5179.7000111.5L307 P308 F312 E313 I511 L514L307-L310 HydrophobicContact CD1-CD1 4.24Å; L307-L310 CarbonylContact O-C 3.54Å; L307-L310 WeakPolarHBondContact O-CA 3.28Å; L307-L310 PolarHBondContact O-N 3.43Å; P308-L310 PolarHBondContact O-N 2.91Å; L310-F312 HydrophobicContact CD2-CE1 3.98Å; L310-F312 HydrophobicContact CD2-CE2 4.37Å; L310-F312 HydrophobicContact CD2-CZ 3.54Å; L310-F312 PolarHBondContact O-N 3.34Å; L310-E313 HydrophobicContact CB-CB 4.18Å; L310-E313 WeakPolarHBondContact O-CA 3.39Å; L310-E313 WeakPolarHBondContact O-CB 3.17Å; L310-E313 PolarHBondContact O-N 3.04Å; L310-I511 HydrophobicContact CD1-CG1 4.27Å; L310-I511 HydrophobicContact CD2-CG2 4.07Å; L310-I511 HydrophobicContact CG-CG2 4.31Å; L310-L514 HydrophobicContact CD1-CD1 3.98Å; L310-L514 HydrophobicContact CD2-CB 4.01Å; L310-L514 HydrophobicContact CD2-CD1 4.04Å
311A87.9Confident89.4Confident14 Ų1428.5 Ų28.512%0.11616%0.162CC..Hα-helixtrans-59.6-22.5-177.500000113.9V305 P308 E313 H314 E315 L362 L366V305-A311 HydrophobicContact CG1-CB 3.8Å; P308-A311 PolarHBondContact O-N 3.21Å; A311-E313 VanDerWaalsContact C-N 3.29Å; A311-E313 PolarHBondContact O-N 2.99Å; A311-H314 WeakPolarHBondContact O-CB 3.48Å; A311-H314 PolarHBondContact O-N 3.1Å; A311-E315 PolarHBondContact O-N 2.86Å; A311-L362 HydrophobicContact CB-CD1 3.84Å; A311-L366 HydrophobicContact CB-CD1 3.92Å
312F90Very high89.6Confident0 Ų028.5 Ų28.50%016%0.162CC..Hα-helixtrans-65-27.2169.459.7-94000113.6M1 Q309 L310 H314 E315 A316 R359 L362 C367 Q515 E518M1-F312 HydrophobicContact CE-CD2 3.67Å; M1-F312 HydrophobicContact CE-CE2 3.56Å; Q309-F312 WeakPolarHBondContact O-CE1 3.43Å; L310-F312 HydrophobicContact CD2-CE1 3.98Å; L310-F312 HydrophobicContact CD2-CE2 4.37Å; L310-F312 HydrophobicContact CD2-CZ 3.54Å; L310-F312 PolarHBondContact O-N 3.34Å; F312-H314 VanDerWaalsContact C-N 3.3Å; F312-E315 PolarHBondContact O-N 2.82Å; F312-A316 VanDerWaalsContact O-CB 3.29Å; F312-A316 WeakPolarHBondContact O-CB 3.48Å; F312-A316 PolarHBondContact O-N 3.22Å; F312-R359 HydrophobicContact CB-CG 4.34Å; F312-L362 HydrophobicContact CB-CB 4.09Å; F312-C367 WeakPolarHBondContact CE1-SG 3.37Å; F312-Q515 HydrophobicContact CE1-CG 3.96Å; F312-Q515 HydrophobicContact CZ-CG 4.04Å; F312-E518 HydrophobicContact CD2-CB 4.11Å; F312-E518 HydrophobicContact CD2-CG 3.48Å; F312-E518 VanDerWaalsContact CD2-CG 3.48Å; F312-E518 HydrophobicContact CE2-CB 3.71Å; F312-E518 HydrophobicContact CE2-CG 3.64Å; F312-E518 HydrophobicContact CG-CG 4.05Å; F312-E518 HydrophobicContact CZ-CB 4.17Å; F312-E518 HydrophobicContact CZ-CG 4.33Å
313E90.5Very high90Very high12 Ų1229.1 Ų29.16%0.05616%0.159CC..Hα-helixtrans-64.8-35172.6-168.5-176.2-136.900111.1M1 Y3 I4 L265 L310 A311 W317 R490M1-E313 HydrophobicContact CE-CB 3.75Å; M1-E313 HydrophobicContact CE-CG 3.85Å; Y3-E313 PolarHBondContact OH-OE1 2.9Å; I4-E313 HydrophobicContact CD1-CG 3.76Å; L265-E313 HydrophobicContact CD1-CG 4.41Å; L265-E313 WeakPolarHBondContact CD2-OE1 3.22Å; L310-E313 HydrophobicContact CB-CB 4.18Å; L310-E313 WeakPolarHBondContact O-CA 3.39Å; L310-E313 WeakPolarHBondContact O-CB 3.17Å; L310-E313 PolarHBondContact O-N 3.04Å; A311-E313 VanDerWaalsContact C-N 3.29Å; A311-E313 PolarHBondContact O-N 2.99Å; E313-W317 WeakPolarHBondContact O-CB 3.39Å; E313-W317 PolarHBondContact O-N 3.12Å; E313-R490 IonicContact OE1-NE 3.74Å; E313-R490 IonicContact OE1-NH2 3.44Å; E313-R490 IonicContact OE2-CZ 3.3Å; E313-R490 IonicContact OE2-NH2 3.56Å; E313-R490 PolarHBondContact OE2-NH2 3.41Å
314H92.3Very high90.5Very high9 Ų923.6 Ų23.64%0.04213%0.13CC..Hα-helixtrans-68.5-50.4172.8-179.949.8000111.7K268 F301 A302 V305 A311 F312 A316 W317 M318K268-H314 PolarHBondContact NZ-ND1 2.83Å; F301-H314 PolarHBondContact O-CE1 3.17Å; A302-H314 WeakPolarHBondContact CA-NE2 3.39Å; A302-H314 PolarHBondContact O-NE2 3.1Å; V305-H314 HydrophobicContact CG1-CB 3.93Å; A311-H314 WeakPolarHBondContact O-CB 3.48Å; A311-H314 PolarHBondContact O-N 3.1Å; F312-H314 VanDerWaalsContact C-N 3.3Å; H314-A316 VanDerWaalsContact C-N 3.3Å; H314-A316 PolarHBondContact O-N 3.24Å; H314-W317 PolarHBondContact O-N 3.25Å; H314-W317 VanDerWaalsContact O-N 3.13Å; H314-M318 VanDerWaalsContact CE1-CG 3.46Å; H314-M318 WeakPolarHBondContact CE1-CG 3.3Å; H314-M318 PolarHBondContact CE1-SD 3.14Å; H314-M318 WeakPolarHBondContact O-CB 3.37Å; H314-M318 VanDerWaalsContact O-CG 3.24Å; H314-M318 WeakPolarHBondContact O-CG 3.38Å; H314-M318 PolarHBondContact O-N 3.14Å
315E91.6Very high90.8Very high14 Ų1421.5 Ų21.57%0.06512%0.119CC..Hα-helixtrans-62.5-36.8178.9-65.8-60.3130.900112.1A311 F312 S319 H355 C358 R359 L362A311-E315 PolarHBondContact O-N 2.86Å; F312-E315 PolarHBondContact O-N 2.82Å; E315-S319 VanDerWaalsContact O-CB 3.25Å; E315-S319 WeakPolarHBondContact O-CB 3.45Å; E315-S319 PolarHBondContact O-N 3.11Å; E315-H355 IonicContact OE1-ND1 2.79Å; E315-H355 IonicContact OE2-CE1 3.08Å; E315-H355 IonicContact OE2-CG 2.69Å; E315-H355 IonicContact OE2-ND1 3.15Å; E315-H355 PolarHBondContact OE2-ND1 3.19Å; E315-C358 HydrophobicContact CB-CB 4.47Å; E315-C358 HydrophobicContact CG-CB 3.94Å; E315-C358 WeakPolarHBondContact OE2-CB 3.34Å; E315-R359 HydrophobicContact CB-CB 3.96Å; E315-L362 HydrophobicContact CG-CD1 3.51Å
316A92.7Very high91.1Very high3 Ų318.9 Ų18.93%0.02510%0.103CC..Hα-helixtrans-59.6-48.8170.400000112.2I4 F312 H314 K320 R359I4-A316 HydrophobicContact CG2-CB 4.4Å; F312-A316 VanDerWaalsContact O-CB 3.29Å; F312-A316 WeakPolarHBondContact O-CB 3.48Å; F312-A316 PolarHBondContact O-N 3.22Å; H314-A316 VanDerWaalsContact C-N 3.3Å; H314-A316 PolarHBondContact O-N 3.24Å; A316-K320 WeakPolarHBondContact O-CB 3.43Å; A316-K320 PolarHBondContact O-N 3.13Å; A316-R359 HydrophobicContact CB-CG 4.41Å
317W94.7Very high91.6Very high5 Ų522 Ų222%0.01912%0.118CC..Hα-helixtrans-65.3-42179.1179.486000112.4I4 K268 H297 F301 E313 H314 K320 Q321I4-W317 HydrophobicContact CD1-CB 4.23Å; I4-W317 HydrophobicContact CG1-CB 4.39Å; I4-W317 HydrophobicContact CG2-CB 4.21Å; K268-W317 HydrophobicContact CB-CD2 4.19Å; K268-W317 HydrophobicContact CB-CG 4.47Å; K268-W317 HydrophobicContact CB-CZ2 4.07Å; K268-W317 HydrophobicContact CD-CD2 4.03Å; K268-W317 HydrophobicContact CD-CE3 4.1Å; K268-W317 HydrophobicContact CD-CG 4.39Å; K268-W317 HydrophobicContact CG-CD2 4.23Å; K268-W317 HydrophobicContact CG-CE3 4.43Å; K268-W317 HydrophobicContact CG-CH2 4.38Å; K268-W317 HydrophobicContact CG-CZ2 4.17Å; K268-W317 WeakPolarHBondContact O-CZ2 3.5Å; K268-W317 PolarHBondContact O-NE1 3.3Å; K268-W317 VanDerWaalsContact O-NE1 3.1Å; H297-W317 AromaticContact CE1-CH2 3.69Å; H297-W317 AromaticContact CE1-CZ2 3.81Å; H297-W317 AromaticContact NE2-CH2 3.39Å; H297-W317 WeakPolarHBondContact NE2-CH2 3.35Å; H297-W317 AromaticContact NE2-CZ2 3.56Å; F301-W317 HydrophobicContact CB-CH2 3.66Å; F301-W317 HydrophobicContact CB-CZ3 3.59Å; F301-W317 HydrophobicContact CD1-CH2 4.35Å; F301-W317 AromaticContact CD2-CH2 3.86Å; F301-W317 HydrophobicContact CD2-CH2 3.86Å; F301-W317 AromaticContact CG-CH2 3.69Å; F301-W317 HydrophobicContact CG-CH2 3.69Å; F301-W317 HydrophobicContact CG-CZ3 4.1Å; E313-W317 WeakPolarHBondContact O-CB 3.39Å; E313-W317 PolarHBondContact O-N 3.12Å; H314-W317 PolarHBondContact O-N 3.25Å; H314-W317 VanDerWaalsContact O-N 3.13Å; W317-K320 PolarHBondContact O-N 3.36Å; W317-Q321 HydrophobicContact CD2-CG 4.01Å; W317-Q321 HydrophobicContact CE3-CG 4.15Å; W317-Q321 HydrophobicContact CH2-CG 3.85Å; W317-Q321 HydrophobicContact CZ2-CG 3.69Å; W317-Q321 HydrophobicContact CZ3-CG 4.07Å; W317-Q321 WeakPolarHBondContact O-CG 3.48Å; W317-Q321 PolarHBondContact O-N 2.89Å
318M93.8Very high91.9Very high4 Ų421 Ų212%0.0211%0.112CC..Hα-helixtrans-62.1-50.8176.2-69.1-72.7-73.700111.1I298 A302 H314 K320 Q321 F322 H355I298-M318 HydrophobicContact CD1-CE 4.23Å; I298-M318 HydrophobicContact CD1-SD 4.25Å; I298-M318 HydrophobicContact CG2-CE 4.11Å; A302-M318 HydrophobicContact CB-CE 4.16Å; H314-M318 VanDerWaalsContact CE1-CG 3.46Å; H314-M318 WeakPolarHBondContact CE1-CG 3.3Å; H314-M318 PolarHBondContact CE1-SD 3.14Å; H314-M318 WeakPolarHBondContact O-CB 3.37Å; H314-M318 VanDerWaalsContact O-CG 3.24Å; H314-M318 WeakPolarHBondContact O-CG 3.38Å; H314-M318 PolarHBondContact O-N 3.14Å; M318-K320 PolarHBondContact O-N 3.13Å; M318-Q321 PolarHBondContact O-N 3.38Å; M318-Q321 VanDerWaalsContact O-N 3.12Å; M318-F322 HydrophobicContact CE-CE2 4.42Å; M318-F322 VanDerWaalsContact O-CD2 3.31Å; M318-F322 WeakPolarHBondContact O-CD2 3.46Å; M318-F322 PolarHBondContact O-N 2.9Å; M318-F322 VanDerWaalsContact O-N 3.12Å; M318-H355 HydrophobicContact CB-CB 4.4Å
319S94.7Very high92.4Very high10 Ų1017.1 Ų17.17%0.079%0.086CC..Hα-helixtrans-50.3-47.4174.6179.80000110.8E315 F322 E323 A352E315-S319 VanDerWaalsContact O-CB 3.25Å; E315-S319 WeakPolarHBondContact O-CB 3.45Å; E315-S319 PolarHBondContact O-N 3.11Å; S319-F322 PolarHBondContact O-N 3.08Å; S319-E323 PolarHBondContact O-N 2.87Å; S319-A352 WeakPolarHBondContact CB-O 3.31Å; S319-A352 WeakPolarHBondContact O-CB 3.29Å; S319-A352 PolarHBondContact OG-O 3.43Å
320K94.5Very high92.7Very high34 Ų3413.8 Ų13.815%0.1487%0.071CC..Hα-helixtrans-69.2-35.5179.9-165.152.3162.4-161.10114.2I4 D5 A316 W317 M318 F322 E323 I324I4-K320 HydrophobicContact CG2-CB 4.16Å; I4-K320 WeakPolarHBondContact O-CG 3.25Å; D5-K320 WeakPolarHBondContact O-CE 3.42Å; D5-K320 PolarHBondContact O-NZ 3.32Å; D5-K320 VanDerWaalsContact O-NZ 3.13Å; A316-K320 WeakPolarHBondContact O-CB 3.43Å; A316-K320 PolarHBondContact O-N 3.13Å; W317-K320 PolarHBondContact O-N 3.36Å; M318-K320 PolarHBondContact O-N 3.13Å; K320-F322 VanDerWaalsContact C-N 3.3Å; K320-F322 PolarHBondContact O-N 3.35Å; K320-E323 HydrophobicContact CD-CB 4.29Å; K320-E323 WeakPolarHBondContact CD-OE2 3.3Å; K320-E323 WeakPolarHBondContact CE-OE2 3.48Å; K320-E323 IonicContact NZ-OE1 3.57Å; K320-E323 PolarHBondContact NZ-OE1 2.95Å; K320-E323 IonicContact NZ-OE2 2.84Å; K320-E323 PolarHBondContact NZ-OE2 3.05Å; K320-E323 PolarHBondContact O-N 2.97Å; K320-I324 HydrophobicContact CD-CD1 4.26Å; K320-I324 HydrophobicContact CD-CG1 4.26Å; K320-I324 HydrophobicContact CG-CD1 3.8Å; K320-I324 HydrophobicContact CG-CG1 4.33Å; K320-I324 WeakPolarHBondContact O-CB 3.49Å; K320-I324 WeakPolarHBondContact O-CD1 3.49Å; K320-I324 WeakPolarHBondContact O-CG1 3.43Å; K320-I324 PolarHBondContact O-N 2.85Å
321Q95.5Very high92.8Very high8 Ų817.1 Ų17.14%0.0379%0.086CC..Hα-helixtrans-60.6-41172.5-69-42.1-69.300111.4F294 I298 W317 M318 L325F294-Q321 HydrophobicContact CE2-CB 4.09Å; F294-Q321 VanDerWaalsContact CE2-O 3.25Å; F294-Q321 WeakPolarHBondContact CE2-O 3.28Å; F294-Q321 HydrophobicContact CZ-CB 4.27Å; F294-Q321 WeakPolarHBondContact CZ-O 3.24Å; I298-Q321 HydrophobicContact CD1-CB 4.12Å; W317-Q321 HydrophobicContact CD2-CG 4.01Å; W317-Q321 HydrophobicContact CE3-CG 4.15Å; W317-Q321 HydrophobicContact CH2-CG 3.85Å; W317-Q321 HydrophobicContact CZ2-CG 3.69Å; W317-Q321 HydrophobicContact CZ3-CG 4.07Å; W317-Q321 WeakPolarHBondContact O-CG 3.48Å; W317-Q321 PolarHBondContact O-N 2.89Å; M318-Q321 PolarHBondContact O-N 3.38Å; M318-Q321 VanDerWaalsContact O-N 3.12Å; Q321-L325 PolarHBondContact O-N 3.29Å; Q321-L325 VanDerWaalsContact O-N 3.16Å
322F95.9Very high92.8Very high0 Ų016.9 Ų16.90%09%0.085CC..Hα-helixtrans-69-42.6177.8-83.1-76.3000113.1F294 I298 M318 S319 K320 L325 G326 Y348 E351 A352 H355 L446 F448F294-F322 AromaticContact CE1-CD1 3.74Å; F294-F322 HydrophobicContact CE1-CD1 3.74Å; F294-F322 AromaticContact CE1-CE1 3.57Å; F294-F322 HydrophobicContact CE1-CE1 3.57Å; F294-F322 HydrophobicContact CE1-CG 4.4Å; F294-F322 HydrophobicContact CE1-CZ 4.11Å; F294-F322 AromaticContact CZ-CD1 3.88Å; F294-F322 HydrophobicContact CZ-CD1 3.88Å; F294-F322 HydrophobicContact CZ-CE1 4.1Å; F294-F322 HydrophobicContact CZ-CG 4.11Å; I298-F322 HydrophobicContact CD1-CD2 4.24Å; I298-F322 HydrophobicContact CD1-CE2 3.74Å; I298-F322 HydrophobicContact CD1-CZ 4.08Å; I298-F322 HydrophobicContact CG1-CE2 4.08Å; I298-F322 HydrophobicContact CG1-CZ 3.89Å; I298-F322 HydrophobicContact CG2-CE2 4.21Å; I298-F322 HydrophobicContact CG2-CZ 3.93Å; M318-F322 HydrophobicContact CE-CE2 4.42Å; M318-F322 VanDerWaalsContact O-CD2 3.31Å; M318-F322 WeakPolarHBondContact O-CD2 3.46Å; M318-F322 PolarHBondContact O-N 2.9Å; M318-F322 VanDerWaalsContact O-N 3.12Å; S319-F322 PolarHBondContact O-N 3.08Å; K320-F322 VanDerWaalsContact C-N 3.3Å; K320-F322 PolarHBondContact O-N 3.35Å; F322-L325 PolarHBondContact O-N 2.69Å; F322-G326 PolarHBondContact O-N 3.04Å; F322-Y348 HydrophobicContact CD1-CD1 4Å; F322-Y348 HydrophobicContact CE1-CD1 4.27Å; F322-E351 HydrophobicContact CD1-CB 3.75Å; F322-E351 HydrophobicContact CD1-CG 3.86Å; F322-E351 HydrophobicContact CD2-CB 4.42Å; F322-E351 HydrophobicContact CD2-CG 3.99Å; F322-E351 HydrophobicContact CE1-CB 3.85Å; F322-E351 HydrophobicContact CE1-CG 3.52Å; F322-E351 HydrophobicContact CE2-CG 3.67Å; F322-E351 HydrophobicContact CG-CB 4.07Å; F322-E351 HydrophobicContact CG-CG 4.09Å; F322-E351 HydrophobicContact CZ-CB 4.25Å; F322-E351 HydrophobicContact CZ-CG 3.43Å; F322-E351 VanDerWaalsContact CZ-CG 3.43Å; F322-A352 HydrophobicContact CB-CB 3.69Å; F322-H355 AromaticContact CD2-CD2 3.67Å; F322-H355 AromaticContact CE2-CD2 3.72Å; F322-H355 AromaticContact CE2-NE2 3.59Å; F322-L446 HydrophobicContact CE1-CD1 3.79Å; F322-F448 HydrophobicContact CE1-CE2 4.2Å; F322-F448 HydrophobicContact CE1-CZ 4.11Å; F322-F448 AromaticContact CZ-CE2 3.69Å; F322-F448 HydrophobicContact CZ-CE2 3.69Å; F322-F448 AromaticContact CZ-CZ 3.77Å; F322-F448 HydrophobicContact CZ-CZ 3.77Å
323E95.8Very high92.6Very high45 Ų4517.7 Ų17.721%0.219%0.089CC..Hα-helixtrans-56.5-51.8172.2-176.9-162.2142.900111.1S319 K320 L325 G326 D327 A352 L530S319-E323 PolarHBondContact O-N 2.87Å; K320-E323 HydrophobicContact CD-CB 4.29Å; K320-E323 WeakPolarHBondContact CD-OE2 3.3Å; K320-E323 WeakPolarHBondContact CE-OE2 3.48Å; K320-E323 IonicContact NZ-OE1 3.57Å; K320-E323 PolarHBondContact NZ-OE1 2.95Å; K320-E323 IonicContact NZ-OE2 2.84Å; K320-E323 PolarHBondContact NZ-OE2 3.05Å; K320-E323 PolarHBondContact O-N 2.97Å; E323-L325 VanDerWaalsContact C-N 3.31Å; E323-L325 PolarHBondContact O-N 3.4Å; E323-G326 WeakPolarHBondContact O-CA 3.25Å; E323-G326 PolarHBondContact O-N 2.93Å; E323-D327 PolarHBondContact O-N 3.48Å; E323-A352 HydrophobicContact CB-CB 4.42Å; E323-L530 HydrophobicContact CB-CD2 4.11Å; E323-L530 HydrophobicContact CG-CD2 3.88Å
324I94.8Very high92.3Very high16 Ų1624.7 Ų24.78%0.08212%0.119CC..Hα-helixtrans-57.7-40.6-179-73.3164.1000111.8L7 Y276 K320 L328L7-I324 HydrophobicContact CD1-CD1 3.81Å; L7-I324 HydrophobicContact CD1-CG1 4.14Å; L7-I324 HydrophobicContact CD1-CG2 4.31Å; L7-I324 HydrophobicContact CD2-CD1 3.93Å; L7-I324 HydrophobicContact CG-CD1 3.81Å; L7-I324 HydrophobicContact CG-CG1 4.5Å; Y276-I324 HydrophobicContact CD2-CG2 3.54Å; Y276-I324 HydrophobicContact CE2-CG2 4.24Å; Y276-I324 HydrophobicContact CG-CG2 4.48Å; K320-I324 HydrophobicContact CD-CD1 4.26Å; K320-I324 HydrophobicContact CD-CG1 4.26Å; K320-I324 HydrophobicContact CG-CD1 3.8Å; K320-I324 HydrophobicContact CG-CG1 4.33Å; K320-I324 WeakPolarHBondContact O-CB 3.49Å; K320-I324 WeakPolarHBondContact O-CD1 3.49Å; K320-I324 WeakPolarHBondContact O-CG1 3.43Å; K320-I324 PolarHBondContact O-N 2.85Å; I324-L328 HydrophobicContact CG2-CD1 4.44Å; I324-L328 WeakPolarHBondContact O-CG 3.34Å; I324-L328 PolarHBondContact O-N 3.12Å
325L94.8Very high91.8Very high2 Ų228.3 Ų28.31%0.0115%0.145CC..Hα-helixtrans-70.7-39.1175.5-164.385.5000111.8C279 F283 F294 Q321 F322 E323 D327 L328 F329 Y348C279-L325 HydrophobicContact CB-CD1 3.93Å; F283-L325 HydrophobicContact CE2-CD1 3.81Å; F283-L325 HydrophobicContact CE2-CG 4.3Å; F283-L325 HydrophobicContact CZ-CD1 4.27Å; F283-L325 HydrophobicContact CZ-CG 4.44Å; F294-L325 HydrophobicContact CB-CD1 3.91Å; F294-L325 HydrophobicContact CB-CD2 3.95Å; F294-L325 HydrophobicContact CD1-CD2 3.62Å; F294-L325 HydrophobicContact CD2-CB 3.93Å; F294-L325 HydrophobicContact CD2-CD1 3.69Å; F294-L325 HydrophobicContact CD2-CD2 3.99Å; F294-L325 HydrophobicContact CD2-CG 4.06Å; F294-L325 HydrophobicContact CE1-CD2 4.05Å; F294-L325 HydrophobicContact CE2-CB 3.78Å; F294-L325 HydrophobicContact CE2-CD1 4.41Å; F294-L325 HydrophobicContact CE2-CD2 4.4Å; F294-L325 HydrophobicContact CE2-CG 4.4Å; F294-L325 HydrophobicContact CG-CB 4.38Å; F294-L325 HydrophobicContact CG-CD1 3.87Å; F294-L325 HydrophobicContact CG-CD2 3.57Å; F294-L325 HydrophobicContact CG-CG 4.12Å; F294-L325 HydrophobicContact CZ-CB 4.11Å; F294-L325 HydrophobicContact CZ-CD2 4.43Å; Q321-L325 PolarHBondContact O-N 3.29Å; Q321-L325 VanDerWaalsContact O-N 3.16Å; F322-L325 PolarHBondContact O-N 2.69Å; E323-L325 VanDerWaalsContact C-N 3.31Å; E323-L325 PolarHBondContact O-N 3.4Å; L325-D327 VanDerWaalsContact C-N 3.27Å; L325-D327 PolarHBondContact O-N 2.88Å; L325-L328 PolarHBondContact O-N 3.04Å; L325-F329 VanDerWaalsContact O-CB 3.3Å; L325-F329 WeakPolarHBondContact O-CB 3.42Å; L325-F329 PolarHBondContact O-N 2.89Å; L325-Y348 HydrophobicContact CD2-CD1 3.57Å; L325-Y348 HydrophobicContact CD2-CE1 3.4Å; L325-Y348 HydrophobicContact CD2-CE2 4.41Å; L325-Y348 HydrophobicContact CD2-CG 4.15Å
326G92.5Very high91Very high0 Ų033 Ų330%018%0.179CC..Hα-helixtrans-53.8-46.5173.700000111.6F322 E323 F329 Q330 Y349F322-G326 PolarHBondContact O-N 3.04Å; E323-G326 WeakPolarHBondContact O-CA 3.25Å; E323-G326 PolarHBondContact O-N 2.93Å; G326-F329 PolarHBondContact O-N 3.17Å; G326-Q330 WeakPolarHBondContact O-CG 3.34Å; G326-Q330 PolarHBondContact O-N 2.87Å; G326-Y349 PolarHBondContact O-OH 3.09Å
327D93.6Very high90.2Very high77 Ų7734.9 Ų34.941%0.41219%0.189SC..Hα-helixtrans-67.3-43.6178.5-73.2-6000112.9E323 L325 F329 Q330 E331 Y349E323-D327 PolarHBondContact O-N 3.48Å; L325-D327 VanDerWaalsContact C-N 3.27Å; L325-D327 PolarHBondContact O-N 2.88Å; D327-F329 VanDerWaalsContact C-N 3.28Å; D327-F329 PolarHBondContact O-N 3.34Å; D327-Q330 CarbonylContact O-C 3.52Å; D327-Q330 WeakPolarHBondContact O-CB 3.48Å; D327-Q330 PolarHBondContact O-N 3.41Å; D327-E331 PolarHBondContact O-N 3.33Å; D327-Y349 WeakPolarHBondContact CA-OH 3.17Å; D327-Y349 PolarHBondContact N-OH 2.43Å; D327-Y349 WeakPolarHBondContact OD1-CE1 3.36Å; D327-Y349 PolarHBondContact OD1-OH 3.07Å
328L92.2Very high89.1Confident6 Ų640.2 Ų40.23%0.03122%0.222CC..Hα-helixtrans-61.9-36.3173.9-75.6-179000112.4Y276 C279 R280 F283 I324 L325 E331 A332Y276-L328 HydrophobicContact CD2-CD1 3.76Å; Y276-L328 HydrophobicContact CD2-CD2 4.34Å; Y276-L328 HydrophobicContact CD2-CG 4.25Å; Y276-L328 HydrophobicContact CE2-CD1 4.01Å; Y276-L328 HydrophobicContact CE2-CD2 3.73Å; Y276-L328 HydrophobicContact CE2-CG 4.04Å; C279-L328 HydrophobicContact CB-CD1 3.96Å; R280-L328 HydrophobicContact CB-CD1 4.09Å; R280-L328 HydrophobicContact CB-CD2 3.73Å; R280-L328 HydrophobicContact CG-CD2 3.61Å; F283-L328 HydrophobicContact CD2-CB 3.91Å; F283-L328 HydrophobicContact CE2-CB 3.83Å; I324-L328 HydrophobicContact CG2-CD1 4.44Å; I324-L328 WeakPolarHBondContact O-CG 3.34Å; I324-L328 PolarHBondContact O-N 3.12Å; L325-L328 PolarHBondContact O-N 3.04Å; L328-E331 PolarHBondContact O-N 2.98Å; L328-A332 WeakPolarHBondContact O-CB 3.24Å; L328-A332 PolarHBondContact O-N 3.41Å
329F91.8Very high87.9Confident4 Ų441.9 Ų41.92%0.01823%0.233CC..Hα-helixtrans-70.5-38.7175.3-154.7153.8000109.9F283 I291 L325 G326 D327 A332 I333 L337 P339 Q343 P345 Y348F283-F329 HydrophobicContact CE1-CB 4.29Å; F283-F329 HydrophobicContact CE1-CD1 4.24Å; F283-F329 HydrophobicContact CE1-CD2 4.12Å; F283-F329 AromaticContact CE1-CG 3.96Å; F283-F329 HydrophobicContact CE1-CG 3.96Å; F283-F329 HydrophobicContact CE2-CB 4.46Å; F283-F329 HydrophobicContact CZ-CB 3.84Å; F283-F329 HydrophobicContact CZ-CD1 4Å; F283-F329 HydrophobicContact CZ-CD2 4.48Å; F283-F329 AromaticContact CZ-CG 3.87Å; F283-F329 HydrophobicContact CZ-CG 3.87Å; I291-F329 HydrophobicContact CD1-CE1 3.64Å; I291-F329 HydrophobicContact CD1-CZ 3.95Å; I291-F329 HydrophobicContact CG1-CE1 4.24Å; L325-F329 VanDerWaalsContact O-CB 3.3Å; L325-F329 WeakPolarHBondContact O-CB 3.42Å; L325-F329 PolarHBondContact O-N 2.89Å; G326-F329 PolarHBondContact O-N 3.17Å; D327-F329 VanDerWaalsContact C-N 3.28Å; D327-F329 PolarHBondContact O-N 3.34Å; F329-A332 PolarHBondContact O-N 3.16Å; F329-I333 HydrophobicContact CD2-CD1 3.61Å; F329-I333 HydrophobicContact CD2-CG1 3.96Å; F329-I333 HydrophobicContact CE2-CD1 3.9Å; F329-I333 HydrophobicContact CE2-CG1 4.2Å; F329-I333 WeakPolarHBondContact O-CD1 3.5Å; F329-I333 VanDerWaalsContact O-CG1 3.25Å; F329-I333 WeakPolarHBondContact O-CG1 3.4Å; F329-I333 PolarHBondContact O-N 3.04Å; F329-L337 HydrophobicContact CD2-CD2 4.03Å; F329-L337 HydrophobicContact CE2-CD2 3.76Å; F329-P339 HydrophobicContact CE2-CB 4.24Å; F329-Q343 VanDerWaalsContact CZ-O 3.24Å; F329-Q343 WeakPolarHBondContact CZ-O 3.38Å; F329-P345 HydrophobicContact CB-CG 4.02Å; F329-P345 HydrophobicContact CD2-CG 4.17Å; F329-P345 HydrophobicContact CG-CG 4.02Å; F329-Y348 HydrophobicContact CD1-CD2 4.24Å; F329-Y348 AromaticContact CD1-CE2 3.74Å; F329-Y348 HydrophobicContact CD1-CE2 3.74Å; F329-Y348 AromaticContact CE1-CE2 3.81Å; F329-Y348 HydrophobicContact CE1-CE2 3.81Å
330Q89.9Confident86.7Confident24 Ų2446.5 Ų46.511%0.11226%0.256CS..Hα-helixtrans-62.3-40.4169.7-73.2-149.152.100112.9G326 D327 K334 P345 Y349 Q537G326-Q330 WeakPolarHBondContact O-CG 3.34Å; G326-Q330 PolarHBondContact O-N 2.87Å; D327-Q330 CarbonylContact O-C 3.52Å; D327-Q330 WeakPolarHBondContact O-CB 3.48Å; D327-Q330 PolarHBondContact O-N 3.41Å; Q330-K334 WeakPolarHBondContact O-CD 3.48Å; Q330-K334 VanDerWaalsContact O-CG 3.28Å; Q330-K334 WeakPolarHBondContact O-CG 3.47Å; Q330-K334 PolarHBondContact O-N 2.94Å; Q330-K334 VanDerWaalsContact O-N 3.12Å; Q330-P345 HydrophobicContact CG-CB 4.02Å; Q330-P345 HydrophobicContact CG-CG 4.02Å; Q330-Y349 HydrophobicContact CG-CE2 4.31Å; Q330-Y349 PolarHBondContact NE2-OH 2.78Å; Q330-Q537 VanDerWaalsContact NE2-NE2 3.2Å
331E88.8Confident85.3Confident72 Ų7251.2 Ų51.234%0.33628%0.281SS..Hα-helixtrans-59.3-51.3173.8-171.9179.3-163.100109.8R280 D327 L328 I333 K334 S335R280-E331 IonicContact CZ-OE1 3.19Å; R280-E331 IonicContact CZ-OE2 2.84Å; R280-E331 IonicContact NE-OE1 2.62Å; R280-E331 IonicContact NE-OE2 3.72Å; R280-E331 PolarHBondContact NE-OE2 3.31Å; R280-E331 IonicContact NH2-OE1 2.69Å; R280-E331 PolarHBondContact NH2-OE1 3.02Å; R280-E331 IonicContact NH2-OE2 3.52Å; R280-E331 PolarHBondContact NH2-OE2 3.38Å; D327-E331 PolarHBondContact O-N 3.33Å; L328-E331 PolarHBondContact O-N 2.98Å; E331-I333 PolarHBondContact O-N 2.81Å; E331-K334 WeakPolarHBondContact O-CB 3.46Å; E331-K334 PolarHBondContact O-N 3.01Å; E331-K334 VanDerWaalsContact O-N 3.12Å; E331-S335 PolarHBondContact O-N 3.26Å; E331-S335 PolarHBondContact O-OG 3.45Å
332A87.7Confident84.2Confident10 Ų1055.7 Ų55.78%0.08331%0.309CS..Hα-helixtrans-58.4-42.5178.700000113.4F283 L328 F329 K334 S335 S336 L337F283-A332 HydrophobicContact CB-CB 3.95Å; F283-A332 HydrophobicContact CD1-CB 3.85Å; F283-A332 HydrophobicContact CG-CB 4.01Å; L328-A332 WeakPolarHBondContact O-CB 3.24Å; L328-A332 PolarHBondContact O-N 3.41Å; F329-A332 PolarHBondContact O-N 3.16Å; A332-K334 VanDerWaalsContact C-N 3.33Å; A332-K334 PolarHBondContact O-N 3.3Å; A332-S335 CarbonylContact O-C 3.58Å; A332-S335 WeakPolarHBondContact O-CA 3.01Å; A332-S335 PolarHBondContact O-N 3.12Å; A332-S336 PolarHBondContact O-N 2.96Å; A332-L337 HydrophobicContact CB-CB 4.13Å; A332-L337 HydrophobicContact CB-CD2 3.73Å; A332-L337 VanDerWaalsContact O-CB 3.22Å; A332-L337 WeakPolarHBondContact O-CB 3.47Å; A332-L337 PolarHBondContact O-N 2.82Å
333I86Confident83.4Confident16 Ų1658.3 Ų58.38%0.08232%0.321CS..Hα-helixtrans-66.1-35.7177.7-67.8162000111.5F329 E331 S335 S336 L337 P339 P345F329-I333 HydrophobicContact CD2-CD1 3.61Å; F329-I333 HydrophobicContact CD2-CG1 3.96Å; F329-I333 HydrophobicContact CE2-CD1 3.9Å; F329-I333 HydrophobicContact CE2-CG1 4.2Å; F329-I333 WeakPolarHBondContact O-CD1 3.5Å; F329-I333 VanDerWaalsContact O-CG1 3.25Å; F329-I333 WeakPolarHBondContact O-CG1 3.4Å; F329-I333 PolarHBondContact O-N 3.04Å; E331-I333 PolarHBondContact O-N 2.81Å; I333-S335 VanDerWaalsContact C-N 3.28Å; I333-S336 PolarHBondContact O-N 3.45Å; I333-L337 HydrophobicContact CG1-CD2 4.47Å; I333-P339 HydrophobicContact CD1-CB 3.96Å; I333-P339 HydrophobicContact CD1-CG 4.04Å; I333-P339 HydrophobicContact CG1-CB 4.27Å; I333-P339 HydrophobicContact CG1-CG 4.23Å; I333-P345 HydrophobicContact CD1-CG 3.61Å
334K85.1Confident82.9Confident160 Ų16056.4 Ų56.470%0.69631%0.312SS*.Hα-helixtrans-68.1-31.2171.6-67.7162.8-171.81690111Q330 E331 A332 S336Q330-K334 WeakPolarHBondContact O-CD 3.48Å; Q330-K334 VanDerWaalsContact O-CG 3.28Å; Q330-K334 WeakPolarHBondContact O-CG 3.47Å; Q330-K334 PolarHBondContact O-N 2.94Å; Q330-K334 VanDerWaalsContact O-N 3.12Å; E331-K334 WeakPolarHBondContact O-CB 3.46Å; E331-K334 PolarHBondContact O-N 3.01Å; E331-K334 VanDerWaalsContact O-N 3.12Å; A332-K334 VanDerWaalsContact C-N 3.33Å; A332-K334 PolarHBondContact O-N 3.3Å; K334-S336 VanDerWaalsContact C-N 3.28Å; K334-S336 PolarHBondContact O-N 2.82Å
335S81.1Confident82.7Confident85 Ų8555.6 Ų55.659%0.59431%0.308SS*.THydrogen-bonded Turntrans-86.933.5173.7-59.20000114.4E331 A332 I333E331-S335 PolarHBondContact O-N 3.26Å; E331-S335 PolarHBondContact O-OG 3.45Å; A332-S335 CarbonylContact O-C 3.58Å; A332-S335 WeakPolarHBondContact O-CA 3.01Å; A332-S335 PolarHBondContact O-N 3.12Å; I333-S335 VanDerWaalsContact C-N 3.28Å
336S74.8Confident82.4Confident111 Ų11155.5 Ų55.578%0.77631%0.308SS*.THydrogen-bonded Turntrans76.16.2174.776.70000119.1A332 I333 K334 T338A332-S336 PolarHBondContact O-N 2.96Å; I333-S336 PolarHBondContact O-N 3.45Å; K334-S336 VanDerWaalsContact C-N 3.28Å; K334-S336 PolarHBondContact O-N 2.82Å; S336-T338 PolarHBondContact O-N 2.92Å
337L76.5Confident82.2Confident43 Ų4356.6 Ų56.623%0.22531%0.313CS..  trans-66125.5170.7178.767.3000111.7F283 A287 F329 A332 I333 P339F283-L337 HydrophobicContact CD1-CD2 4.19Å; F283-L337 HydrophobicContact CE1-CD2 4.39Å; A287-L337 HydrophobicContact CB-CD1 3.74Å; A287-L337 HydrophobicContact CB-CD2 3.6Å; A287-L337 HydrophobicContact CB-CG 4.33Å; F329-L337 HydrophobicContact CD2-CD2 4.03Å; F329-L337 HydrophobicContact CE2-CD2 3.76Å; A332-L337 HydrophobicContact CB-CB 4.13Å; A332-L337 HydrophobicContact CB-CD2 3.73Å; A332-L337 VanDerWaalsContact O-CB 3.22Å; A332-L337 WeakPolarHBondContact O-CB 3.47Å; A332-L337 PolarHBondContact O-N 2.82Å; I333-L337 HydrophobicContact CG1-CD2 4.47Å; L337-P339 VanDerWaalsContact O-CD 3.31Å; L337-P339 WeakPolarHBondContact O-CD 3.29Å
338T71.9Confident82.2Confident118 Ų11853.1 Ų53.172%0.72429%0.294SS*.  trans-83.1111.3169520000110.9S336S336-T338 PolarHBondContact O-N 2.92Å
339P68.2Low82.3Confident39 Ų3952.9 Ų52.925%0.25329%0.293SS..  trans-77158.7178.133.4-35.7000112F329 I333 L337 Y541F329-P339 HydrophobicContact CE2-CB 4.24Å; I333-P339 HydrophobicContact CD1-CB 3.96Å; I333-P339 HydrophobicContact CD1-CG 4.04Å; I333-P339 HydrophobicContact CG1-CB 4.27Å; I333-P339 HydrophobicContact CG1-CG 4.23Å; L337-P339 VanDerWaalsContact O-CD 3.31Å; L337-P339 WeakPolarHBondContact O-CD 3.29Å; P339-Y541 HydrophobicContact CB-CE1 4.36Å; P339-Y541 HydrophobicContact CG-CE1 3.66Å
340L70.1Confident82.3Confident106 Ų10653.3 Ų53.356%0.55530%0.295SS*.BIsolated β-bridgetrans-96.5150.9171.9-69.488.1000110.4T342 Q343L340-T342 PolarHBondContact O-N 3.32Å; L340-T342 VanDerWaalsContact O-N 3.09Å; L340-Q343 HydrophobicContact CB-CB 4.42Å; L340-Q343 PolarHBondContact N-O 3.12Å; L340-Q343 CarbonylContact O-C 3.58Å; L340-Q343 VanDerWaalsContact O-C 3.24Å; L340-Q343 PolarHBondContact O-N 3.1Å; L340-Q343 VanDerWaalsContact O-O 3.04Å
341M64.5Low82.4Confident133 Ų13352.2 Ų52.266%0.65529%0.29SS*.THydrogen-bonded Turntrans-55.8-28.8175.6-58.8-65.5-74.300113Y541M341-Y541 WeakPolarHBondContact CE-O 3.45Å
342T72.3Confident82.6Confident102 Ų10248.8 Ų48.863%0.62627%0.274SS*.THydrogen-bonded Turntrans-93-4.817854.20000114.2L340 L347L340-T342 PolarHBondContact O-N 3.32Å; L340-T342 VanDerWaalsContact O-N 3.09Å; T342-L347 WeakPolarHBondContact O-CD1 3.44Å
343Q79.5Confident82.8Confident55 Ų5548.5 Ų48.526%0.25727%0.271SS..BIsolated β-bridgetrans-145.390.8-176.7-63-173.442.200109.9F329 L340F329-Q343 VanDerWaalsContact CZ-O 3.24Å; F329-Q343 WeakPolarHBondContact CZ-O 3.38Å; L340-Q343 HydrophobicContact CB-CB 4.42Å; L340-Q343 PolarHBondContact N-O 3.12Å; L340-Q343 CarbonylContact O-C 3.58Å; L340-Q343 VanDerWaalsContact O-C 3.24Å; L340-Q343 PolarHBondContact O-N 3.1Å; L340-Q343 VanDerWaalsContact O-O 3.04Å
344H85Confident83Confident5 Ų549.1 Ų49.12%0.02327%0.273CS..  trans-142.4160.3-176.16846.7000112.3G346 L347 Y538 Y541H344-G346 VanDerWaalsContact C-N 3.27Å; H344-G346 PolarHBondContact ND1-N 2.84Å; H344-G346 PolarHBondContact O-N 3.25Å; H344-G346 VanDerWaalsContact O-N 3.09Å; H344-L347 PolarHBondContact O-N 2.96Å; H344-Y538 AromaticContact CE1-CD1 3.6Å; H344-Y538 AromaticContact CE1-CE1 3.36Å; H344-Y538 WeakPolarHBondContact CE1-CE1 3.06Å; H344-Y538 AromaticContact NE2-CD1 3.64Å; H344-Y538 AromaticContact NE2-CE1 3.61Å; H344-Y541 HydrophobicContact CB-CD2 3.7Å; H344-Y541 HydrophobicContact CB-CE1 4.38Å; H344-Y541 HydrophobicContact CB-CE2 3.47Å; H344-Y541 VanDerWaalsContact CB-CE2 3.47Å; H344-Y541 HydrophobicContact CB-CG 4.31Å; H344-Y541 AromaticContact CD2-CD2 3.36Å; H344-Y541 WeakPolarHBondContact CD2-CD2 3.41Å; H344-Y541 AromaticContact CD2-CG 3.68Å; H344-Y541 AromaticContact CG-CD2 3.46Å; H344-Y541 VanDerWaalsContact CG-CD2 3.46Å; H344-Y541 AromaticContact CG-CE2 3.71Å; H344-Y541 AromaticContact NE2-CD2 3.95Å
345P90.3Very high83.3Confident0 Ų042 Ų420%024%0.242CC..Hα-helixtrans-54.2-35.8-174.3-26.733.4000115.1F329 Q330 I333 L347 Y348 Y349 Q537F329-P345 HydrophobicContact CB-CG 4.02Å; F329-P345 HydrophobicContact CD2-CG 4.17Å; F329-P345 HydrophobicContact CG-CG 4.02Å; Q330-P345 HydrophobicContact CG-CB 4.02Å; Q330-P345 HydrophobicContact CG-CG 4.02Å; I333-P345 HydrophobicContact CD1-CG 3.61Å; P345-L347 VanDerWaalsContact C-N 3.25Å; P345-L347 PolarHBondContact O-N 3.26Å; P345-L347 VanDerWaalsContact O-N 3.14Å; P345-Y348 PolarHBondContact O-N 3.41Å; P345-Y349 HydrophobicContact CB-CD2 4.18Å; P345-Y349 HydrophobicContact CB-CE2 3.69Å; P345-Y349 VanDerWaalsContact O-CD2 3.29Å; P345-Y349 WeakPolarHBondContact O-CD2 3.02Å; P345-Y349 PolarHBondContact O-N 3.15Å; P345-Q537 HydrophobicContact CB-CG 4.22Å
346G88.1Confident83.9Confident0 Ų038.1 Ų38.10%022%0.215CC..Hα-helixtrans-54.3-32.3-17900000115.7H344 Y348 Y349 Q350H344-G346 VanDerWaalsContact C-N 3.27Å; H344-G346 PolarHBondContact ND1-N 2.84Å; H344-G346 PolarHBondContact O-N 3.25Å; H344-G346 VanDerWaalsContact O-N 3.09Å; G346-Y348 VanDerWaalsContact C-N 3.28Å; G346-Y348 PolarHBondContact O-N 2.05Å; G346-Y349 PolarHBondContact O-N 3.22Å; G346-Q350 PolarHBondContact O-N 2.96Å
347L89.2Confident84.6Confident23 Ų2334 Ų3412%0.1219%0.185CC..Hα-helixtrans-65.3-35.4177.8-58.7177.4000111.7T342 H344 P345 E351 P445 L446 Y538T342-L347 WeakPolarHBondContact O-CD1 3.44Å; H344-L347 PolarHBondContact O-N 2.96Å; P345-L347 VanDerWaalsContact C-N 3.25Å; P345-L347 PolarHBondContact O-N 3.26Å; P345-L347 VanDerWaalsContact O-N 3.14Å; L347-E351 PolarHBondContact O-N 3.14Å; L347-P445 HydrophobicContact CD2-CB 4.45Å; L347-L446 HydrophobicContact CB-CD2 4.1Å; L347-L446 HydrophobicContact CD1-CD2 4.18Å; L347-Y538 HydrophobicContact CD2-CE1 4.16Å
348Y92.5Very high85.2Confident3 Ų332.1 Ų32.11%0.01218%0.175CC..Hα-helixtrans-79.6-38.2-179.2-54.4-85.2000111F294 F322 L325 F329 P345 G346 Q350 E351 A352 L446F294-Y348 HydrophobicContact CD1-CE1 4.39Å; F294-Y348 HydrophobicContact CE1-CD1 4.28Å; F294-Y348 HydrophobicContact CE1-CE1 4.47Å; F322-Y348 HydrophobicContact CD1-CD1 4Å; F322-Y348 HydrophobicContact CE1-CD1 4.27Å; L325-Y348 HydrophobicContact CD2-CD1 3.57Å; L325-Y348 HydrophobicContact CD2-CE1 3.4Å; L325-Y348 HydrophobicContact CD2-CE2 4.41Å; L325-Y348 HydrophobicContact CD2-CG 4.15Å; F329-Y348 HydrophobicContact CD1-CD2 4.24Å; F329-Y348 AromaticContact CD1-CE2 3.74Å; F329-Y348 HydrophobicContact CD1-CE2 3.74Å; F329-Y348 AromaticContact CE1-CE2 3.81Å; F329-Y348 HydrophobicContact CE1-CE2 3.81Å; P345-Y348 PolarHBondContact O-N 3.41Å; G346-Y348 VanDerWaalsContact C-N 3.28Å; G346-Y348 PolarHBondContact O-N 2.05Å; Y348-Q350 VanDerWaalsContact C-N 3.34Å; Y348-Q350 PolarHBondContact O-N 2.98Å; Y348-E351 PolarHBondContact O-N 3.01Å; Y348-A352 WeakPolarHBondContact O-CB 3.46Å; Y348-A352 PolarHBondContact O-N 3.41Å; Y348-L446 HydrophobicContact CD1-CD1 4.24Å; Y348-L446 HydrophobicContact CE1-CD1 4.31Å
349Y94.9Very high86.2Confident2 Ų227 Ų271%0.00814%0.143CC..Hα-helixtrans-64.6-35.8171.7-63.4-61.8000112.6G326 D327 Q330 P345 G346 A352 S353 L530 Q533 T534 Q537G326-Y349 PolarHBondContact O-OH 3.09Å; D327-Y349 WeakPolarHBondContact CA-OH 3.17Å; D327-Y349 PolarHBondContact N-OH 2.43Å; D327-Y349 WeakPolarHBondContact OD1-CE1 3.36Å; D327-Y349 PolarHBondContact OD1-OH 3.07Å; Q330-Y349 HydrophobicContact CG-CE2 4.31Å; Q330-Y349 PolarHBondContact NE2-OH 2.78Å; P345-Y349 HydrophobicContact CB-CD2 4.18Å; P345-Y349 HydrophobicContact CB-CE2 3.69Å; P345-Y349 VanDerWaalsContact O-CD2 3.29Å; P345-Y349 WeakPolarHBondContact O-CD2 3.02Å; P345-Y349 PolarHBondContact O-N 3.15Å; G346-Y349 PolarHBondContact O-N 3.22Å; Y349-A352 PolarHBondContact O-N 2.9Å; Y349-S353 PolarHBondContact O-N 3.07Å; Y349-L530 HydrophobicContact CD1-CD2 4.03Å; Y349-Q533 HydrophobicContact CD1-CB 4.11Å; Y349-Q533 HydrophobicContact CD2-CB 3.81Å; Y349-Q533 HydrophobicContact CE1-CB 4.37Å; Y349-Q533 HydrophobicContact CE2-CB 4.09Å; Y349-Q533 HydrophobicContact CG-CB 3.82Å; Y349-T534 VanDerWaalsContact CB-OG1 3.26Å; Y349-T534 WeakPolarHBondContact CB-OG1 3.39Å; Y349-Q537 HydrophobicContact CD2-CG 4.34Å; Y349-Q537 HydrophobicContact CE2-CG 4.39Å
350Q92.7Very high87.3Confident12 Ų1227.2 Ų27.26%0.05614%0.139CC..Hα-helixtrans-62.2-49172.9-173.6170.2-24.300110.5G346 Y348 A352 S353 R354 P445 T534 Y538G346-Q350 PolarHBondContact O-N 2.96Å; Y348-Q350 VanDerWaalsContact C-N 3.34Å; Y348-Q350 PolarHBondContact O-N 2.98Å; Q350-A352 VanDerWaalsContact C-N 3.3Å; Q350-A352 PolarHBondContact O-N 3.37Å; Q350-S353 PolarHBondContact O-N 2.71Å; Q350-S353 PolarHBondContact O-OG 2.67Å; Q350-R354 PolarHBondContact O-N 3.39Å; Q350-P445 HydrophobicContact CG-CG 4.39Å; Q350-T534 HydrophobicContact CB-CG2 3.75Å; Q350-T534 HydrophobicContact CG-CG2 4.39Å; Q350-T534 PolarHBondContact N-OG1 2.83Å; Q350-Y538 PolarHBondContact OE1-OH 3Å
351E90.1Very high88.2Confident2 Ų224.8 Ų24.81%0.00913%0.125CC..Hα-helixtrans-64.5-34.5179.4-161.563.9-154.100112.3F322 L347 Y348 R354 H355 S444 L446 F448F322-E351 HydrophobicContact CD1-CB 3.75Å; F322-E351 HydrophobicContact CD1-CG 3.86Å; F322-E351 HydrophobicContact CD2-CB 4.42Å; F322-E351 HydrophobicContact CD2-CG 3.99Å; F322-E351 HydrophobicContact CE1-CB 3.85Å; F322-E351 HydrophobicContact CE1-CG 3.52Å; F322-E351 HydrophobicContact CE2-CG 3.67Å; F322-E351 HydrophobicContact CG-CB 4.07Å; F322-E351 HydrophobicContact CG-CG 4.09Å; F322-E351 HydrophobicContact CZ-CB 4.25Å; F322-E351 HydrophobicContact CZ-CG 3.43Å; F322-E351 VanDerWaalsContact CZ-CG 3.43Å; L347-E351 PolarHBondContact O-N 3.14Å; Y348-E351 PolarHBondContact O-N 3.01Å; E351-R354 PolarHBondContact O-N 2.76Å; E351-R354 IonicContact OE1-CZ 3.2Å; E351-R354 IonicContact OE1-NE 2.68Å; E351-R354 PolarHBondContact OE1-NE 3.09Å; E351-R354 IonicContact OE1-NH2 3.7Å; E351-R354 PolarHBondContact OE1-NH2 2.99Å; E351-R354 IonicContact OE2-NE 3.56Å; E351-H355 PolarHBondContact O-CD2 3.14Å; E351-H355 VanDerWaalsContact O-CD2 3.28Å; E351-H355 PolarHBondContact O-N 3.34Å; E351-S444 PolarHBondContact OE1-OG 3.07Å; E351-S444 VanDerWaalsContact OE2-CB 3.28Å; E351-S444 WeakPolarHBondContact OE2-CB 3.36Å; E351-S444 PolarHBondContact OE2-OG 2.91Å; E351-L446 HydrophobicContact CB-CD1 4.27Å; E351-L446 HydrophobicContact CG-CD1 4.35Å; E351-F448 HydrophobicContact CG-CE2 4.4Å
352A94.1Very high89.3Confident0 Ų019.4 Ų19.40%010%0.098CC..Hα-helixtrans-62.7-46.3171.400000112.4S319 F322 E323 Y348 Y349 Q350 R354 H355 A356 L530S319-A352 WeakPolarHBondContact CB-O 3.31Å; S319-A352 WeakPolarHBondContact O-CB 3.29Å; S319-A352 PolarHBondContact OG-O 3.43Å; F322-A352 HydrophobicContact CB-CB 3.69Å; E323-A352 HydrophobicContact CB-CB 4.42Å; Y348-A352 WeakPolarHBondContact O-CB 3.46Å; Y348-A352 PolarHBondContact O-N 3.41Å; Y349-A352 PolarHBondContact O-N 2.9Å; Q350-A352 VanDerWaalsContact C-N 3.3Å; Q350-A352 PolarHBondContact O-N 3.37Å; A352-R354 VanDerWaalsContact C-N 3.33Å; A352-R354 PolarHBondContact O-N 3.09Å; A352-H355 PolarHBondContact O-N 3.41Å; A352-A356 PolarHBondContact O-N 3.47Å; A352-L530 HydrophobicContact CB-CD1 3.95Å; A352-L530 HydrophobicContact CB-CD2 3.99Å
353S92.5Very high90Very high4 Ų414.8 Ų14.83%0.0287%0.07CC..Hα-helixtrans-63-39.2175.973.30000111.5Y349 Q350 H355 A356 V357 L531Y349-S353 PolarHBondContact O-N 3.07Å; Q350-S353 PolarHBondContact O-N 2.71Å; Q350-S353 PolarHBondContact O-OG 2.67Å; S353-H355 PolarHBondContact O-N 3.21Å; S353-A356 WeakPolarHBondContact O-CB 3.28Å; S353-A356 PolarHBondContact O-N 3.42Å; S353-A356 VanDerWaalsContact O-N 3.11Å; S353-V357 WeakPolarHBondContact O-CG2 3.39Å; S353-V357 PolarHBondContact O-N 3.21Å; S353-L531 WeakPolarHBondContact OG-CD2 3.36Å
354R89.6Confident90.4Very high29 Ų2917.1 Ų17.111%0.1098%0.081CC..Hα-helixtrans-61.1-45175.7-164.9-160.559.552.91.7111.6Q350 E351 A352 A356 V357 C358 V440Q350-R354 PolarHBondContact O-N 3.39Å; E351-R354 PolarHBondContact O-N 2.76Å; E351-R354 IonicContact OE1-CZ 3.2Å; E351-R354 IonicContact OE1-NE 2.68Å; E351-R354 PolarHBondContact OE1-NE 3.09Å; E351-R354 IonicContact OE1-NH2 3.7Å; E351-R354 PolarHBondContact OE1-NH2 2.99Å; E351-R354 IonicContact OE2-NE 3.56Å; A352-R354 VanDerWaalsContact C-N 3.33Å; A352-R354 PolarHBondContact O-N 3.09Å; R354-A356 VanDerWaalsContact C-N 3.34Å; R354-V357 PolarHBondContact O-N 3.24Å; R354-C358 PolarHBondContact NH1-SG 3.23Å; R354-C358 VanDerWaalsContact NH1-SG 3.41Å; R354-C358 PolarHBondContact O-N 2.85Å; R354-C358 PolarHBondContact O-SG 2.55Å; R354-C358 VanDerWaalsContact O-SG 3.4Å; R354-V440 WeakPolarHBondContact CD-O 3.26Å; R354-V440 HydrophobicContact CG-CG1 3.43Å; R354-V440 VanDerWaalsContact CG-CG1 3.43Å
355H91.5Very high90.4Very high9 Ų918.8 Ų18.84%0.04210%0.095CC..Hα-helixtrans-65.9-33.4173.6-82.4-68.4000112.6E315 M318 F322 E351 A352 S353 C358 R359E315-H355 IonicContact OE1-ND1 2.79Å; E315-H355 IonicContact OE2-CE1 3.08Å; E315-H355 IonicContact OE2-CG 2.69Å; E315-H355 IonicContact OE2-ND1 3.15Å; E315-H355 PolarHBondContact OE2-ND1 3.19Å; M318-H355 HydrophobicContact CB-CB 4.4Å; F322-H355 AromaticContact CD2-CD2 3.67Å; F322-H355 AromaticContact CE2-CD2 3.72Å; F322-H355 AromaticContact CE2-NE2 3.59Å; E351-H355 PolarHBondContact O-CD2 3.14Å; E351-H355 VanDerWaalsContact O-CD2 3.28Å; E351-H355 PolarHBondContact O-N 3.34Å; A352-H355 PolarHBondContact O-N 3.41Å; S353-H355 PolarHBondContact O-N 3.21Å; H355-C358 PolarHBondContact O-N 2.59Å; H355-R359 PolarHBondContact O-N 3.4Å
356A92.5Very high90.1Very high4 Ų420.5 Ų20.53%0.03311%0.105CC..Hα-helixtrans-68.7-35.7173.800000112.8A352 S353 R354 R359 R360 I527 L530A352-A356 PolarHBondContact O-N 3.47Å; S353-A356 WeakPolarHBondContact O-CB 3.28Å; S353-A356 PolarHBondContact O-N 3.42Å; S353-A356 VanDerWaalsContact O-N 3.11Å; R354-A356 VanDerWaalsContact C-N 3.34Å; A356-R359 WeakPolarHBondContact O-CB 3.03Å; A356-R359 PolarHBondContact O-N 3.33Å; A356-R360 PolarHBondContact O-N 3.21Å; A356-R360 VanDerWaalsContact O-N 3.14Å; A356-I527 HydrophobicContact CB-CG1 3.59Å; A356-L530 HydrophobicContact CB-CD1 4.45Å
357V90.9Very high90.1Very high25 Ų2520.5 Ų20.515%0.15211%0.105CC..Hα-helixtrans-65-43.3169.9172.90000111S353 R354 R359 R360 Q361 I527S353-V357 WeakPolarHBondContact O-CG2 3.39Å; S353-V357 PolarHBondContact O-N 3.21Å; R354-V357 PolarHBondContact O-N 3.24Å; V357-R359 VanDerWaalsContact C-N 3.31Å; V357-R359 PolarHBondContact O-N 3.31Å; V357-R360 WeakPolarHBondContact O-CB 3.48Å; V357-R360 PolarHBondContact O-N 3.32Å; V357-Q361 WeakPolarHBondContact O-CG 3.25Å; V357-Q361 PolarHBondContact O-N 2.78Å; V357-I527 HydrophobicContact CG2-CD1 3.88Å; V357-I527 HydrophobicContact CG2-CG1 4.22Å; V357-I527 HydrophobicContact CG2-CG2 4.05Å
358C89.2Confident89.9Confident3 Ų322.6 Ų22.62%0.0212%0.115CC..Hα-helixtrans-62.8-35.4174.1-68.80000112.7E315 R354 H355 Q361 L362 V440E315-C358 HydrophobicContact CB-CB 4.47Å; E315-C358 HydrophobicContact CG-CB 3.94Å; E315-C358 WeakPolarHBondContact OE2-CB 3.34Å; R354-C358 PolarHBondContact NH1-SG 3.23Å; R354-C358 VanDerWaalsContact NH1-SG 3.41Å; R354-C358 PolarHBondContact O-N 2.85Å; R354-C358 PolarHBondContact O-SG 2.55Å; R354-C358 VanDerWaalsContact O-SG 3.4Å; H355-C358 PolarHBondContact O-N 2.59Å; C358-Q361 PolarHBondContact O-N 2.85Å; C358-L362 WeakPolarHBondContact O-CB 3.06Å; C358-L362 WeakPolarHBondContact O-CG 3.31Å; C358-L362 PolarHBondContact O-N 3.39Å; C358-V440 VanDerWaalsContact SG-CG1 3.56Å
359R92.9Very high89.4Confident12 Ų1226 Ų265%0.04514%0.137CC..Hα-helixtrans-58.5-46.9171.4-178.6-172.2175.1169-0.1111.5D5 F312 E315 A316 H355 A356 V357 L362 C363 E518D5-R359 IonicContact OD1-NH1 3.89Å; D5-R359 PolarHBondContact OD1-NH1 3.38Å; F312-R359 HydrophobicContact CB-CG 4.34Å; E315-R359 HydrophobicContact CB-CB 3.96Å; A316-R359 HydrophobicContact CB-CG 4.41Å; H355-R359 PolarHBondContact O-N 3.4Å; A356-R359 WeakPolarHBondContact O-CB 3.03Å; A356-R359 PolarHBondContact O-N 3.33Å; V357-R359 VanDerWaalsContact C-N 3.31Å; V357-R359 PolarHBondContact O-N 3.31Å; R359-L362 PolarHBondContact O-N 2.99Å; R359-C363 PolarHBondContact O-N 2.8Å; R359-E518 IonicContact CZ-OE1 3.18Å; R359-E518 IonicContact CZ-OE2 3.21Å; R359-E518 IonicContact NE-OE1 2.7Å; R359-E518 PolarHBondContact NE-OE1 2.63Å; R359-E518 IonicContact NE-OE2 2.57Å; R359-E518 IonicContact NH2-OE1 2.71Å; R359-E518 PolarHBondContact NH2-OE1 3.06Å; R359-E518 IonicContact NH2-OE2 2.71Å; R359-E518 PolarHBondContact NH2-OE2 2.97Å
360R91.2Very high88.7Confident42 Ų4228.4 Ų28.416%0.15815%0.153CC..Hα-helixtrans-58.2-50.2174.9-177167.663.6165.14.5111.6A356 V357 L362 C363 Q364 H523 S524 E557 D560A356-R360 PolarHBondContact O-N 3.21Å; A356-R360 VanDerWaalsContact O-N 3.14Å; V357-R360 WeakPolarHBondContact O-CB 3.48Å; V357-R360 PolarHBondContact O-N 3.32Å; R360-L362 PolarHBondContact O-N 2.68Å; R360-C363 WeakPolarHBondContact O-CB 3.18Å; R360-C363 PolarHBondContact O-N 3.4Å; R360-Q364 WeakPolarHBondContact O-CG 3.46Å; R360-Q364 PolarHBondContact O-N 3.06Å; R360-H523 HydrophobicContact CB-CB 3.8Å; R360-H523 HydrophobicContact CG-CB 4.15Å; R360-S524 PolarHBondContact NH1-OG 3.31Å; R360-E557 IonicContact CZ-OE1 2.62Å; R360-E557 VanDerWaalsContact CZ-OE1 3.3Å; R360-E557 IonicContact CZ-OE2 2.74Å; R360-E557 IonicContact NH1-OE1 3.31Å; R360-E557 IonicContact NH1-OE2 2.74Å; R360-E557 PolarHBondContact NH1-OE2 3.34Å; R360-E557 IonicContact NH2-OE1 3.67Å; R360-E557 PolarHBondContact NH2-OE1 2.98Å; R360-E557 IonicContact NH2-OE2 3.78Å; R360-D560 IonicContact CZ-OD2 3.08Å; R360-D560 IonicContact NH1-OD2 3.09Å; R360-D560 PolarHBondContact NH1-OD2 2.76Å; R360-D560 IonicContact NH2-OD2 3.28Å; R360-D560 PolarHBondContact NH2-OD2 3.13Å
361Q89.1Confident88.2Confident56 Ų5628.2 Ų28.226%0.26215%0.152SC..Hα-helixtrans-60.4-41.4179-69.9172.7-20.700112.7V357 C358 Q364 A365V357-Q361 WeakPolarHBondContact O-CG 3.25Å; V357-Q361 PolarHBondContact O-N 2.78Å; C358-Q361 PolarHBondContact O-N 2.85Å; Q361-Q364 PolarHBondContact O-N 3.27Å; Q361-A365 WeakPolarHBondContact O-CB 3.44Å; Q361-A365 PolarHBondContact O-N 3.28Å
362L86.7Confident87.7Confident19 Ų1934.4 Ų34.410%0.09918%0.179CC..Hα-helixtrans-72.3-32.7176.8-70.5179.3000112.8A311 F312 E315 C358 R359 R360 A365 L366A311-L362 HydrophobicContact CB-CD1 3.84Å; F312-L362 HydrophobicContact CB-CB 4.09Å; E315-L362 HydrophobicContact CG-CD1 3.51Å; C358-L362 WeakPolarHBondContact O-CB 3.06Å; C358-L362 WeakPolarHBondContact O-CG 3.31Å; C358-L362 PolarHBondContact O-N 3.39Å; R359-L362 PolarHBondContact O-N 2.99Å; R360-L362 PolarHBondContact O-N 2.68Å; L362-A365 PolarHBondContact O-N 2.8Å; L362-L366 HydrophobicContact CB-CD1 4.4Å; L362-L366 HydrophobicContact CD2-CD1 4.45Å; L362-L366 WeakPolarHBondContact O-CB 3.11Å; L362-L366 WeakPolarHBondContact O-CG 3.23Å; L362-L366 PolarHBondContact O-N 3.02Å
363C88.5Confident86.9Confident5 Ų536.6 Ų36.63%0.03420%0.197CC..Iπ-helixtrans-62-47.1170.3-177.10000110.8R359 R360 A365 C367 E518R359-C363 PolarHBondContact O-N 2.8Å; R360-C363 WeakPolarHBondContact O-CB 3.18Å; R360-C363 PolarHBondContact O-N 3.4Å; C363-A365 PolarHBondContact O-N 2.9Å; C363-C367 WeakPolarHBondContact O-CA 3.29Å; C363-C367 WeakPolarHBondContact O-CB 3.38Å; C363-C367 PolarHBondContact O-N 3.26Å; C363-E518 HydrophobicContact CB-CG 4.03Å
364Q87.2Confident86.1Confident105 Ų10538 Ų3849%0.49121%0.209SC..Iπ-helixtrans-59.8-45.3175.9-69.9167.8-26.100112.3R360 Q361 I368R360-Q364 WeakPolarHBondContact O-CG 3.46Å; R360-Q364 PolarHBondContact O-N 3.06Å; Q361-Q364 PolarHBondContact O-N 3.27Å; Q364-I368 HydrophobicContact CB-CD1 4.17Å; Q364-I368 HydrophobicContact CG-CD1 4.23Å
365A84Confident85.5Confident39 Ų3940.5 Ų40.532%0.32222%0.222SC..Iπ-helixtrans-76.4-30.6-176.600000114.7Q361 L362 C363 I433Q361-A365 WeakPolarHBondContact O-CB 3.44Å; Q361-A365 PolarHBondContact O-N 3.28Å; L362-A365 PolarHBondContact O-N 2.8Å; C363-A365 PolarHBondContact O-N 2.9Å; A365-I433 HydrophobicContact CB-CD1 4.36Å; A365-I433 HydrophobicContact CB-CG1 4.38Å
366L84.7Confident84.3Confident37 Ų3747 Ų4719%0.19425%0.254CS..Iπ-helixtrans-105.2-43.7-174.4-60.1175.5000113.3P308 A311 L362 T370P308-L366 WeakPolarHBondContact O-CD1 3.24Å; A311-L366 HydrophobicContact CB-CD1 3.92Å; L362-L366 HydrophobicContact CB-CD1 4.4Å; L362-L366 HydrophobicContact CD2-CD1 4.45Å; L362-L366 WeakPolarHBondContact O-CB 3.11Å; L362-L366 WeakPolarHBondContact O-CG 3.23Å; L362-L366 PolarHBondContact O-N 3.02Å; L366-T370 WeakPolarHBondContact O-CG2 3.08Å; L366-T370 PolarHBondContact O-OG1 2.78Å
367C88.4Confident82.6Confident0 Ų052.3 Ų52.30%028%0.282CS..Iπ-helixtrans-83.7-41-171.2-53.70000112.3F312 C363 T370 V371 Q515 L519F312-C367 WeakPolarHBondContact CE1-SG 3.37Å; C363-C367 WeakPolarHBondContact O-CA 3.29Å; C363-C367 WeakPolarHBondContact O-CB 3.38Å; C363-C367 PolarHBondContact O-N 3.26Å; C367-T370 PolarHBondContact O-N 3.41Å; C367-T370 PolarHBondContact O-OG1 3.32Å; C367-V371 VanDerWaalsContact O-CB 3.27Å; C367-V371 WeakPolarHBondContact O-CB 3.48Å; C367-V371 VanDerWaalsContact O-CG2 3.27Å; C367-V371 WeakPolarHBondContact O-CG2 3.3Å; C367-V371 PolarHBondContact O-N 2.84Å; C367-Q515 HydrophobicContact CB-CB 4.04Å; C367-Q515 HydrophobicContact CB-CG 4.45Å; C367-L519 HydrophobicContact CB-CD1 4.07Å; C367-L519 HydrophobicContact CB-CD2 3.83Å; C367-L519 HydrophobicContact CB-CG 3.69Å
368I84.9Confident80.9Confident66 Ų6653.5 Ų53.534%0.33829%0.294SS..Hα-helixtrans-58.5-46.5-179.7-57176.9000111.4Q364 K372 L519Q364-I368 HydrophobicContact CB-CD1 4.17Å; Q364-I368 HydrophobicContact CG-CD1 4.23Å; I368-K372 HydrophobicContact CG2-CD 4.12Å; I368-K372 WeakPolarHBondContact O-CB 3.33Å; I368-K372 WeakPolarHBondContact O-CG 3.46Å; I368-K372 PolarHBondContact O-N 3.07Å; I368-L519 HydrophobicContact CG1-CD2 3.56Å
369P81.1Confident79.1Confident74 Ų7458.8 Ų58.848%0.48132%0.322SS..Hα-helixtrans-70.9-38.6-179.2-20.435.1000113.5A373P369-A373 VanDerWaalsContact O-CB 3.22Å; P369-A373 WeakPolarHBondContact O-CB 3.45Å; P369-A373 PolarHBondContact O-N 2.68Å
370T80.7Confident76.8Confident54 Ų5465.3 Ų65.333%0.33136%0.358SS..Hα-helixtrans-72.8-37.3-178.155.30000112.4L366 C367 A374 Q515L366-T370 WeakPolarHBondContact O-CG2 3.08Å; L366-T370 PolarHBondContact O-OG1 2.78Å; C367-T370 PolarHBondContact O-N 3.41Å; C367-T370 PolarHBondContact O-OG1 3.32Å; T370-A374 WeakPolarHBondContact O-CB 3.47Å; T370-A374 PolarHBondContact O-N 3.25Å; T370-Q515 PolarHBondContact OG1-OE1 2.94Å
371V82.2Confident74.3Confident8 Ų873.3 Ų73.35%0.04839%0.388CS..Hα-helixtrans-70.8-46.6179.8171.30000110.7C367 A373 A374 E375 L512 Q515 K516 L519C367-V371 VanDerWaalsContact O-CB 3.27Å; C367-V371 WeakPolarHBondContact O-CB 3.48Å; C367-V371 VanDerWaalsContact O-CG2 3.27Å; C367-V371 WeakPolarHBondContact O-CG2 3.3Å; C367-V371 PolarHBondContact O-N 2.84Å; V371-A373 VanDerWaalsContact C-N 3.35Å; V371-A373 PolarHBondContact O-N 3.43Å; V371-A374 PolarHBondContact O-N 3.13Å; V371-A374 VanDerWaalsContact O-N 3.13Å; V371-E375 WeakPolarHBondContact CG1-OE1 3.24Å; V371-E375 WeakPolarHBondContact O-CG 3.4Å; V371-E375 PolarHBondContact O-N 3.38Å; V371-L512 HydrophobicContact CG2-CD1 4.03Å; V371-Q515 HydrophobicContact CG2-CB 4.17Å; V371-K516 HydrophobicContact CB-CG 4.36Å; V371-K516 HydrophobicContact CG1-CD 4.36Å; V371-K516 HydrophobicContact CG1-CG 3.82Å; V371-K516 HydrophobicContact CG2-CG 3.58Å; V371-L519 HydrophobicContact CB-CD1 3.81Å; V371-L519 HydrophobicContact CG1-CD1 3.95Å; V371-L519 HydrophobicContact CG2-CD1 3.7Å
372K80.8Confident71.8Confident131 Ų13177.2 Ų77.257%0.5741%0.41SS*.Hα-helixtrans-59.4-43.7173.2-72.7-174175.2-169.60112.2I368 A374 E375 M376I368-K372 HydrophobicContact CG2-CD 4.12Å; I368-K372 WeakPolarHBondContact O-CB 3.33Å; I368-K372 WeakPolarHBondContact O-CG 3.46Å; I368-K372 PolarHBondContact O-N 3.07Å; K372-A374 VanDerWaalsContact C-N 3.32Å; K372-A374 PolarHBondContact O-N 2.69Å; K372-E375 PolarHBondContact O-N 3.21Å; K372-M376 WeakPolarHBondContact O-CG 3.33Å; K372-M376 PolarHBondContact O-N 2.89Å
373A77Confident69.3Low47 Ų4786.3 Ų86.339%0.38845%0.445SS..Hα-helixtrans-63-37.7175.800000112.4P369 V371 E375 N377P369-A373 VanDerWaalsContact O-CB 3.22Å; P369-A373 WeakPolarHBondContact O-CB 3.45Å; P369-A373 PolarHBondContact O-N 2.68Å; V371-A373 VanDerWaalsContact C-N 3.35Å; V371-A373 PolarHBondContact O-N 3.43Å; A373-E375 VanDerWaalsContact C-N 3.34Å; A373-N377 PolarHBondContact O-N 3.48Å; A373-N377 PolarHBondContact O-ND2 3.1Å
374A75Confident66.6Low32 Ų3296.2 Ų96.226%0.26448%0.483SS..Hα-helixtrans-70.5-28.9176.500000113.3T370 V371 K372 L512T370-A374 WeakPolarHBondContact O-CB 3.47Å; T370-A374 PolarHBondContact O-N 3.25Å; V371-A374 PolarHBondContact O-N 3.13Å; V371-A374 VanDerWaalsContact O-N 3.13Å; K372-A374 VanDerWaalsContact C-N 3.32Å; K372-A374 PolarHBondContact O-N 2.69Å; A374-L512 HydrophobicContact CB-CD1 3.9Å; A374-L512 HydrophobicContact CB-CD2 3.66Å; A374-L512 HydrophobicContact CB-CG 4.44Å
375E76.8Confident64.1Low83 Ų8396.7 Ų96.739%0.38850%0.495SS..Hα-helixtrans-75.1-45.2175.8-76.4153.3-175.500111.4V371 K372 A373 N377 A378 D379 K516V371-E375 WeakPolarHBondContact CG1-OE1 3.24Å; V371-E375 WeakPolarHBondContact O-CG 3.4Å; V371-E375 PolarHBondContact O-N 3.38Å; K372-E375 PolarHBondContact O-N 3.21Å; A373-E375 VanDerWaalsContact C-N 3.34Å; E375-N377 PolarHBondContact O-N 2.81Å; E375-A378 WeakPolarHBondContact O-CB 3.46Å; E375-A378 PolarHBondContact O-N 3.05Å; E375-D379 PolarHBondContact O-N 3.44Å; E375-K516 IonicContact OE1-NZ 2.91Å; E375-K516 PolarHBondContact OE1-NZ 2.87Å
376M65.6Low61.3Low144 Ų144102.2 Ų102.271%0.70952%0.518SS*.Hα-helixtrans-59.3-30.8173.5-66.2175.573.400113.2K372 A378K372-M376 WeakPolarHBondContact O-CG 3.33Å; K372-M376 PolarHBondContact O-N 2.89Å; M376-A378 VanDerWaalsContact C-N 3.27Å; M376-A378 PolarHBondContact O-N 3.15Å
377N58.3Low58.6Low117 Ų117106.1 Ų106.163%0.62655%0.546SS*.Hα-helixtrans-79.8-2.7174.7-81.2-89.1000113.9A373 E375A373-N377 PolarHBondContact O-N 3.48Å; A373-N377 PolarHBondContact O-ND2 3.1Å; E375-N377 PolarHBondContact O-N 2.81Å
378A55.3Low55.9Low49 Ų49112.5 Ų112.541%0.40559%0.585SS.*Hα-helixtrans-97.2-41.5178.600000112.3E375 M376 D380 R381E375-A378 WeakPolarHBondContact O-CB 3.46Å; E375-A378 PolarHBondContact O-N 3.05Å; M376-A378 VanDerWaalsContact C-N 3.27Å; M376-A378 PolarHBondContact O-N 3.15Å; A378-D380 VanDerWaalsContact C-N 3.32Å; A378-D380 PolarHBondContact O-N 3.3Å; A378-R381 WeakPolarHBondContact O-CB 3.35Å; A378-R381 PolarHBondContact O-N 2.87Å; A378-R381 VanDerWaalsContact O-N 3.13Å
379D51.2Low53.1Low114 Ų114118.6 Ų118.661%0.6161%0.612SS**Hα-helixtrans-63.1-38.1-178.9-66.4-33.5000112.1E375 R381 L382E375-D379 PolarHBondContact O-N 3.44Å; D379-R381 PolarHBondContact O-N 3.08Å; D379-L382 PolarHBondContact O-N 3.34Å
380D44.7Very low50.7Low149 Ų149120.3 Ų120.380%0.79763%0.626SS**THydrogen-bonded Turntrans-63.5-3.6176.7-154.844.5000113.8A378A378-D380 VanDerWaalsContact C-N 3.32Å; A378-D380 PolarHBondContact O-N 3.3Å
381R38.6Very low48.1Very low211 Ų211125.6 Ų125.680%0.79665%0.652SS**THydrogen-bonded Turntrans-105.3-1.4175.1-66.5-176.1166.2-153.5-7.1114.6A378 D379A378-R381 WeakPolarHBondContact O-CB 3.35Å; A378-R381 PolarHBondContact O-N 2.87Å; A378-R381 VanDerWaalsContact O-N 3.13Å; D379-R381 PolarHBondContact O-N 3.08Å
382L35.5Very low45.5Very low138 Ų138133.9 Ų133.972%0.72369%0.69SS**  trans-93.9-6.4-175.6-68.7173.9000114.4D379 Y384D379-L382 PolarHBondContact O-N 3.34Å; L382-Y384 VanDerWaalsContact C-N 3.32Å; L382-Y384 PolarHBondContact O-N 3.03Å; L382-Y384 VanDerWaalsContact O-N 3.14Å
383Y34.5Very low42.9Very low210 Ų210133.6 Ų133.682%0.82470%0.702SS**  trans-89.345.8-174.7-121.6-86.8000115.4
384Y31.1Very low40.8Very low212 Ų212139.3 Ų139.383%0.83172%0.724SS**  trans-133.876.7169.7-78-71.3000112.1L382 L386L382-Y384 VanDerWaalsContact C-N 3.32Å; L382-Y384 PolarHBondContact O-N 3.03Å; L382-Y384 VanDerWaalsContact O-N 3.14Å; Y384-L386 PolarHBondContact O-N 3.43Å
385P35.1Very low38.6Very low116 Ų116144.1 Ų144.175%0.75375%0.75SS**PPolyproline II helixtrans-69.2126.5168.229.4-32.7000110.3
386L25.5Very low36.2Very low154 Ų154143.4 Ų143.481%0.80677%0.765SS**PPolyproline II helixtrans-69.7145.8169.4-9575.3000110.3Y384 T388Y384-L386 PolarHBondContact O-N 3.43Å; L386-T388 PolarHBondContact O-N 3.27Å
387P29.2Very low34.4Very low120 Ų120144.5 Ų144.578%0.77977%0.772SS**PPolyproline II helixtrans-73.8117.1-178.829.4-33.7000111.4
388T30.8Very low32.8Very low133 Ų133146.4 Ų146.482%0.81678%0.782SS**  trans-96.2113.316247.30000109.5L386 S390L386-T388 PolarHBondContact O-N 3.27Å; T388-S390 PolarHBondContact O-N 3.03Å
389E26.3Very low31.5Very low195 Ų195148.5 Ų148.591%0.91180%0.799SS**  trans-71.5120.8176.3-59.9175.7134.600111
390S30.2Very low30.3Very low109 Ų109148.4 Ų148.476%0.76280%0.803SS**  trans-151.7112.8161.760.90000110.1T388T388-S390 PolarHBondContact O-N 3.03Å
391N25.8Very low29.2Very low165 Ų165150.6 Ų150.688%0.88281%0.806SS**  trans-74.2131.3178.3-54.7-72.2000110.9
392E28.4Very low28.5Very low182 Ų182144.4 Ų144.485%0.8580%0.799SS**  trans-161.1140.9134.2-115.3173.6-153.600110.7
393P27Very low28.3Very low125 Ų125144 Ų14481%0.81280%0.803SS**PPolyproline II helixtrans-93.2118.8-174.134.1-30.5000111.9
394I31.3Very low27.7Very low167 Ų167140.8 Ų140.886%0.85680%0.8SS**PPolyproline II helixtrans-101.4130.8170.8-63.2-176.9000110.1
395V29.4Very low27.7Very low133 Ų133136.2 Ų136.281%0.80680%0.799SS**PPolyproline II helixtrans-58.3132.7-176.5177.30000111.4
396G25.9Very low27.2Very low68 Ų68134 Ų13470%0.70180%0.797SS**PPolyproline II helixtrans-74.615217500000113.2
397I28.9Very low27.2Very low167 Ų167135.4 Ų135.486%0.85681%0.805SS**  trans-128.5128.6162.6-66.4-179.5000106.8
398D24.5Very low26.9Very low158 Ų158138.1 Ų138.185%0.84581%0.812SS**  trans-69.8134.9-176.1-63.6-73.5000113
399A28.5Very low26.8Very low92 Ų92136.5 Ų136.576%0.7681%0.812SS**  trans-137.649.7168.200000111.5
400T25.5Very low26.8Very low113 Ų113136.5 Ų136.569%0.69381%0.812SS**  trans46.6114.5147.955.50000120.6
401F21.9Very low26.3Very low195 Ų195139.8 Ų139.886%0.85582%0.815SS**  trans51.5116.3140-64.4-87.1000118.7
402A23.2Very low26.5Very low80 Ų80139.9 Ų139.966%0.66182%0.816SS**  61.5135.376.600000112.7
403T30.6Very low26.2Very low131 Ų131138.2 Ų138.280%0.80481%0.812SS**  cis-138.1148.937.147.20000111.3
404D23.5Very low26Very low142 Ų142137.2 Ų137.276%0.75981%0.809SS**  cis75.5109.536.8-166.824000115
405S30.2Very low25.8Very low115 Ų115134.4 Ų134.480%0.80480%0.804SS**  trans169.790.5155.332.10000109.9
406G24.2Very low25.6Very low70 Ų70134 Ų13472%0.72280%0.804SS**  trans-78.6139.6169.300000111.8L408G406-L408 PolarHBondContact O-N 3.45Å
407L25.7Very low25.7Very low183 Ų183139.1 Ų139.196%0.95881%0.809SS**  trans-92.889.6163.1-79.3170.7000109.2
408L22.8Very low25.6Very low177 Ų177136.4 Ų136.493%0.92781%0.805SS**  trans-85.3120.2162.6-70.8171.6000108.3G406G406-L408 PolarHBondContact O-N 3.45Å
409A29.5Very low25.8Very low99 Ų99134.6 Ų134.682%0.81880%0.802SS**  trans-118.4145.2168.900000108.6
410E25.8Very low25.7Very low195 Ų195137.5 Ų137.591%0.91181%0.805SS**  trans-74.6163.7-151.2-63.3169.3132.100115.7
411E20.6Very low25.6Very low178 Ų178141.8 Ų141.883%0.83282%0.816SS**  trans-54.6151.2169.7-52.9168.7139.300111.8
412N28.2Very low25.9Very low168 Ų168137.3 Ų137.390%0.89881%0.809SS**  trans-169.2164132.2-109.4-75.4000113
413D23.3Very low26.1Very low146 Ų146141 Ų14178%0.78182%0.817SS**  trans-89151.2-158.5-101.7-50.6000117.3
414S23.1Very low25.8Very low105 Ų105142.6 Ų142.673%0.73482%0.816SS**  trans63.3111.7144.872.30000121.2
415S26.9Very low25.9Very low108 Ų108142 Ų14276%0.75582%0.821SS**  -176.3139.1115.942.40000111.9
416P26Very low25.7Very low124 Ų124140.8 Ų140.881%0.80581%0.812SS**  trans-98.5114.3-177.234.4-30.5000112.8
417H27Very low25.8Very low176 Ų176146.9 Ų146.982%0.81581%0.814SS**  trans-140.8143170.5-93.2-73.4000113.9
418S26.1Very low25.9Very low109 Ų109142.4 Ų142.476%0.76280%0.797SS**  trans67.9132.4176.973.50000117.2
419P29.6Very low26.2Very low121 Ų121142.4 Ų142.479%0.78679%0.79SS**  trans-91.8141.5176.335-32.3000112.5H421P419-H421 PolarHBondContact O-N 3Å
420N25.5Very low26Very low153 Ų153147.1 Ų147.182%0.81879%0.787SS**  trans-67124.9-179.5-76.7-36.5000113.5S422N420-S422 PolarHBondContact O-N 3.46Å
421H25Very low26.3Very low202 Ų202142 Ų14294%0.93577%0.769SS**  trans-77.5100.5160.3-94-105.7000109.8P419P419-H421 PolarHBondContact O-N 3Å
422S27.1Very low26.8Very low102 Ų102136.6 Ų136.671%0.71375%0.754SS**  trans-138.364.9179.651.50000112.7N420N420-S422 PolarHBondContact O-N 3.46Å
423L26.8Very low27.1Very low158 Ų158131.5 Ų131.583%0.82773%0.727SS**  trans-141.262.4-169.4-115.7177.7000114.9
424E25.4Very low27.7Very low164 Ų164129.7 Ų129.777%0.76672%0.717SS**  trans-140.8-22.8177.4-147.3141.3-12500117.6S426E424-S426 PolarHBondContact O-N 3.45Å
425C24.7Very low28.4Very low130 Ų130127.1 Ų127.188%0.87870%0.697SS**THydrogen-bonded Turntrans-70-0.8-174-162.60000115.7
426S27.5Very low28.7Very low88 Ų88123.8 Ų123.862%0.61568%0.676SS**THydrogen-bonded Turntrans-95.5-11.3-170.564.40000115.9E424E424-S426 PolarHBondContact O-N 3.45Å
427R25.5Very low29.3Very low199 Ų199119.1 Ų119.175%0.75165%0.645SS**SBendtrans-75-44.9-177.3-81.3-178.4167.4172.9-3.4113.5K429 R430R427-K429 VanDerWaalsContact C-N 3.29Å; R427-K429 PolarHBondContact O-N 3.43Å; R427-K429 VanDerWaalsContact O-N 3.15Å; R427-R430 PolarHBondContact O-N 2.93Å
428S28.1Very low30.1Very low88 Ų88114.8 Ų114.862%0.61563%0.625SS**Hα-helixtrans-62-28.1-166.9-40.50000115T431S428-T431 PolarHBondContact O-OG1 3.15Å
429K28.7Very low30.9Very low177 Ų177113.9 Ų113.977%0.7761%0.608SS**Hα-helixtrans-78.3-20177.5-71.1-175.5177.3177.90113.8R427R427-K429 VanDerWaalsContact C-N 3.29Å; R427-K429 PolarHBondContact O-N 3.43Å; R427-K429 VanDerWaalsContact O-N 3.15Å
430R25.7Very low31.5Very low198 Ų198108.8 Ų108.875%0.74757%0.574SS**Hα-helixtrans-79.3-34176.8-91-175.2172.1175.4-0.7113R427 N434R427-R430 PolarHBondContact O-N 2.93Å; R430-N434 PolarHBondContact O-N 3.39Å
431T31.9Very low32.6Very low89 Ų89106.9 Ų106.955%0.54656%0.555SS.*Hα-helixtrans-64.1-4917825.50000111.6S428 I433 N434 T435S428-T431 PolarHBondContact O-OG1 3.15Å; T431-I433 PolarHBondContact O-N 2.88Å; T431-N434 PolarHBondContact O-N 3.06Å; T431-T435 WeakPolarHBondContact O-CB 3.34Å; T431-T435 PolarHBondContact O-N 2.94Å; T431-T435 PolarHBondContact O-OG1 3.43Å
432A31.7Very low33.6Very low63 Ų6399.6 Ų99.652%0.52153%0.53SS..Hα-helixtrans-56.4-43.6-178.900000113.6T435 A436A432-T435 WeakPolarHBondContact O-CB 3.44Å; A432-T435 PolarHBondContact O-N 3.37Å; A432-A436 PolarHBondContact O-N 3.23Å; A432-A436 VanDerWaalsContact O-N 3.09Å
433I33.7Very low34.7Very low62 Ų6298.1 Ų98.132%0.31851%0.512SS..Hα-helixtrans-65.7-46.2178.5-61.6172.4000110.7A365 T431 T435 A436 V437A365-I433 HydrophobicContact CB-CD1 4.36Å; A365-I433 HydrophobicContact CB-CG1 4.38Å; T431-I433 PolarHBondContact O-N 2.88Å; I433-T435 VanDerWaalsContact C-N 3.32Å; I433-T435 PolarHBondContact O-N 2.76Å; I433-A436 PolarHBondContact O-N 3.03Å; I433-V437 WeakPolarHBondContact O-CB 3.38Å; I433-V437 WeakPolarHBondContact O-CG2 3.46Å; I433-V437 PolarHBondContact O-N 3.45Å; I433-V437 VanDerWaalsContact O-N 3.13Å
434N36.6Very low36Very low107 Ų10791.2 Ų91.257%0.57248%0.477SS*.Hα-helixtrans-62.2-40176.7-74.8-16.2000111.7R430 T431 V437 E438R430-N434 PolarHBondContact O-N 3.39Å; T431-N434 PolarHBondContact O-N 3.06Å; N434-V437 PolarHBondContact O-N 3.08Å; N434-E438 WeakPolarHBondContact O-CB 3.19Å; N434-E438 WeakPolarHBondContact O-CG 3.38Å; N434-E438 PolarHBondContact O-N 2.98Å
435T36.9Very low37.2Very low52 Ų5285.3 Ų85.332%0.31945%0.453SS..Hα-helixtrans-57.7-52.4176-84.60000112.1T431 A432 I433 V437 E438 F439 Y1337T431-T435 WeakPolarHBondContact O-CB 3.34Å; T431-T435 PolarHBondContact O-N 2.94Å; T431-T435 PolarHBondContact O-OG1 3.43Å; A432-T435 WeakPolarHBondContact O-CB 3.44Å; A432-T435 PolarHBondContact O-N 3.37Å; I433-T435 VanDerWaalsContact C-N 3.32Å; I433-T435 PolarHBondContact O-N 2.76Å; T435-V437 PolarHBondContact O-N 3.12Å; T435-E438 PolarHBondContact O-N 3.09Å; T435-F439 WeakPolarHBondContact O-CB 3.47Å; T435-F439 PolarHBondContact O-N 3.35Å; T435-Y1337 HydrophobicContact CG2-CE1 4.1Å; T435-Y1337 WeakPolarHBondContact CG2-OH 3.43Å; T435-Y1337 PolarHBondContact OG1-OH 3.09Å
436A32.9Very low38.6Very low38 Ų3880.6 Ų80.631%0.31442%0.419SS..Hα-helixtrans-63.1-43.1-179.500000111.7A432 I433 F439 V440A432-A436 PolarHBondContact O-N 3.23Å; A432-A436 VanDerWaalsContact O-N 3.09Å; I433-A436 PolarHBondContact O-N 3.03Å; A436-F439 PolarHBondContact O-N 2.93Å; A436-V440 WeakPolarHBondContact O-CG2 3.42Å; A436-V440 PolarHBondContact O-N 3.41Å; A436-V440 VanDerWaalsContact O-N 3.1Å
437V39.3Very low39.7Very low25 Ų2583.1 Ų83.115%0.15243%0.425CS..Hα-helixtrans-67.7-40.9179.9172.70000112.1I433 N434 T435 R441I433-V437 WeakPolarHBondContact O-CB 3.38Å; I433-V437 WeakPolarHBondContact O-CG2 3.46Å; I433-V437 PolarHBondContact O-N 3.45Å; I433-V437 VanDerWaalsContact O-N 3.13Å; N434-V437 PolarHBondContact O-N 3.08Å; T435-V437 PolarHBondContact O-N 3.12Å; V437-R441 VanDerWaalsContact CG1-NH2 3.3Å; V437-R441 WeakPolarHBondContact O-CB 3.31Å; V437-R441 PolarHBondContact O-N 3.32Å
438E44.1Very low40.5Very low86 Ų8677 Ų7740%0.40240%0.403SS..Hα-helixtrans-71-36.6176-71.3-81.5126.400111.9N434 T435 R441 A442 K450N434-E438 WeakPolarHBondContact O-CB 3.19Å; N434-E438 WeakPolarHBondContact O-CG 3.38Å; N434-E438 PolarHBondContact O-N 2.98Å; T435-E438 PolarHBondContact O-N 3.09Å; E438-R441 PolarHBondContact O-N 2.95Å; E438-R441 IonicContact OE1-CZ 3.87Å; E438-R441 IonicContact OE1-NH1 2.71Å; E438-R441 PolarHBondContact OE1-NH1 3.41Å; E438-A442 WeakPolarHBondContact O-CB 3.47Å; E438-A442 PolarHBondContact O-N 3.48Å; E438-K450 IonicContact OE1-NZ 2.64Å; E438-K450 PolarHBondContact OE1-NZ 2.91Å; E438-K450 VanDerWaalsContact OE1-NZ 3.1Å; E438-K450 IonicContact OE2-NZ 2.76Å
439F41.7Very low40.7Very low90 Ų9083.8 Ų83.840%0.39542%0.416SS..Hα-helixtrans-59.1-48.1174.1176.1-97000111.8T435 A436 A442T435-F439 WeakPolarHBondContact O-CB 3.47Å; T435-F439 PolarHBondContact O-N 3.35Å; A436-F439 PolarHBondContact O-N 2.93Å; F439-A442 PolarHBondContact O-N 2.93Å
440V43.8Very low40.8Very low14 Ų1481.2 Ų81.29%0.08540%0.404CS..Hα-helixtrans-68.6-41.7176.9176.60000111.2R354 C358 A436 A442 Q443R354-V440 WeakPolarHBondContact CD-O 3.26Å; R354-V440 HydrophobicContact CG-CG1 3.43Å; R354-V440 VanDerWaalsContact CG-CG1 3.43Å; C358-V440 VanDerWaalsContact SG-CG1 3.56Å; A436-V440 WeakPolarHBondContact O-CG2 3.42Å; A436-V440 PolarHBondContact O-N 3.41Å; A436-V440 VanDerWaalsContact O-N 3.1Å; V440-A442 VanDerWaalsContact C-N 3.25Å; V440-A442 PolarHBondContact O-N 3.47Å; V440-Q443 WeakPolarHBondContact O-CB 3.41Å; V440-Q443 PolarHBondContact O-N 2.66Å; V440-Q443 VanDerWaalsContact O-N 3.09Å
441R47.2Very low40.7Very low112 Ų11279.2 Ų79.242%0.42340%0.404SS..Hα-helixtrans-60.4-33177.7-177.1178.7-70.2135.22.8112.7V437 E438 Q443 S444V437-R441 VanDerWaalsContact CG1-NH2 3.3Å; V437-R441 WeakPolarHBondContact O-CB 3.31Å; V437-R441 PolarHBondContact O-N 3.32Å; E438-R441 PolarHBondContact O-N 2.95Å; E438-R441 IonicContact OE1-CZ 3.87Å; E438-R441 IonicContact OE1-NH1 2.71Å; E438-R441 PolarHBondContact OE1-NH1 3.41Å; R441-Q443 PolarHBondContact O-N 2.98Å; R441-S444 PolarHBondContact O-N 3.48Å
442A46.4Very low40.2Very low49 Ų4982 Ų8241%0.40541%0.413SS..THydrogen-bonded Turntrans-67.5-8.217700000114.7E438 F439 V440E438-A442 WeakPolarHBondContact O-CB 3.47Å; E438-A442 PolarHBondContact O-N 3.48Å; F439-A442 PolarHBondContact O-N 2.93Å; V440-A442 VanDerWaalsContact C-N 3.25Å; V440-A442 PolarHBondContact O-N 3.47Å
443Q50Low39.8Very low72 Ų7286.7 Ų86.734%0.33642%0.423SS..THydrogen-bonded Turntrans-101.12.7-179.6-56.5179.918.900113.8V440 R441 P445 Y549V440-Q443 WeakPolarHBondContact O-CB 3.41Å; V440-Q443 PolarHBondContact O-N 2.66Å; V440-Q443 VanDerWaalsContact O-N 3.09Å; R441-Q443 PolarHBondContact O-N 2.98Å; Q443-P445 WeakPolarHBondContact O-CD 3.34Å; Q443-Y549 PolarHBondContact OE1-OH 3.31Å
444S53.5Low39.3Very low12 Ų1289.5 Ų89.58%0.08444%0.443CS..  trans-65.7122.6179.7176.70000112.3E351 R441 L446 L447E351-S444 PolarHBondContact OE1-OG 3.07Å; E351-S444 VanDerWaalsContact OE2-CB 3.28Å; E351-S444 WeakPolarHBondContact OE2-CB 3.36Å; E351-S444 PolarHBondContact OE2-OG 2.91Å; R441-S444 PolarHBondContact O-N 3.48Å; S444-L446 PolarHBondContact O-N 2.71Å; S444-L446 PolarHBondContact OG-N 2.94Å; S444-L447 PolarHBondContact O-N 3.37Å
445P52.1Low38.7Very low41 Ų4189.8 Ų89.827%0.26645%0.448SS..THydrogen-bonded Turntrans-71-8.9176.430.9-36.4000113.4L347 Q350 Q443 M546L347-P445 HydrophobicContact CD2-CB 4.45Å; Q350-P445 HydrophobicContact CG-CG 4.39Å; Q443-P445 WeakPolarHBondContact O-CD 3.34Å; P445-M546 HydrophobicContact CB-CE 4.14Å
446L53.6Low38Very low31 Ų3194.8 Ų94.816%0.16247%0.473CS..THydrogen-bonded Turntrans-97.5-4.3-178.9-67.9176.4000113.9F322 L347 Y348 E351 S444 F448F322-L446 HydrophobicContact CE1-CD1 3.79Å; L347-L446 HydrophobicContact CB-CD2 4.1Å; L347-L446 HydrophobicContact CD1-CD2 4.18Å; Y348-L446 HydrophobicContact CD1-CD1 4.24Å; Y348-L446 HydrophobicContact CE1-CD1 4.31Å; E351-L446 HydrophobicContact CB-CD1 4.27Å; E351-L446 HydrophobicContact CG-CD1 4.35Å; S444-L446 PolarHBondContact O-N 2.71Å; S444-L446 PolarHBondContact OG-N 2.94Å; L446-F448 HydrophobicContact CB-CD2 4.1Å; L446-F448 HydrophobicContact CB-CE2 3.52Å; L446-F448 HydrophobicContact CB-CZ 3.87Å; L446-F448 HydrophobicContact CD1-CE2 3.97Å; L446-F448 HydrophobicContact CD1-CZ 3.99Å; L446-F448 HydrophobicContact CG-CE2 4.4Å; L446-F448 PolarHBondContact O-N 3.27Å
447L51Low37.4Very low140 Ų14097.9 Ų97.973%0.73349%0.493SS*.  trans4457.5172.2-68.1177.3000114.8S444 R449S444-L447 PolarHBondContact O-N 3.37Å; L447-R449 VanDerWaalsContact C-N 3.3Å; L447-R449 PolarHBondContact O-N 3.27Å
448F42.8Very low36.7Very low70 Ų70102 Ų10231%0.30752%0.52SS..  trans-67.483.2173.1-63.8-71.8000111.8I298 N299 F322 E351 L446 K450I298-F448 HydrophobicContact CG2-CD1 4.37Å; I298-F448 HydrophobicContact CG2-CE1 3.93Å; I298-F448 HydrophobicContact CG2-CE2 4.39Å; I298-F448 HydrophobicContact CG2-CZ 3.94Å; N299-F448 VanDerWaalsContact OD1-CD1 3.24Å; N299-F448 WeakPolarHBondContact OD1-CD1 3.5Å; F322-F448 HydrophobicContact CE1-CE2 4.2Å; F322-F448 HydrophobicContact CE1-CZ 4.11Å; F322-F448 AromaticContact CZ-CE2 3.69Å; F322-F448 HydrophobicContact CZ-CE2 3.69Å; F322-F448 AromaticContact CZ-CZ 3.77Å; F322-F448 HydrophobicContact CZ-CZ 3.77Å; E351-F448 HydrophobicContact CG-CE2 4.4Å; L446-F448 HydrophobicContact CB-CD2 4.1Å; L446-F448 HydrophobicContact CB-CE2 3.52Å; L446-F448 HydrophobicContact CB-CZ 3.87Å; L446-F448 HydrophobicContact CD1-CE2 3.97Å; L446-F448 HydrophobicContact CD1-CZ 3.99Å; L446-F448 HydrophobicContact CG-CE2 4.4Å; L446-F448 PolarHBondContact O-N 3.27Å; F448-K450 PolarHBondContact O-N 3.39Å
449R32.1Very low35.6Very low231 Ų231105.8 Ų105.887%0.87254%0.543SS*.  trans-65123.9-177.6-167.2178.6-165169.46.3111.5L447 Q451L447-R449 VanDerWaalsContact C-N 3.3Å; L447-R449 PolarHBondContact O-N 3.27Å; R449-Q451 PolarHBondContact O-N 2.7Å; R449-Q451 VanDerWaalsContact O-N 3.14Å
450K29.4Very low34.7Very low123 Ų123109.2 Ų109.254%0.53557%0.565SS.*  trans-58.4114.3165.2-82.5174.4179.51580109.2E438 F448E438-K450 IonicContact OE1-NZ 2.64Å; E438-K450 PolarHBondContact OE1-NZ 2.91Å; E438-K450 VanDerWaalsContact OE1-NZ 3.1Å; E438-K450 IonicContact OE2-NZ 2.76Å; F448-K450 PolarHBondContact O-N 3.39Å
451Q23.9Very low33.6Very low156 Ų156114.5 Ų114.573%0.72960%0.602SS**  trans-93.8117.9148.8-77.2-175.7-31.500106.8R449 F453R449-Q451 PolarHBondContact O-N 2.7Å; R449-Q451 VanDerWaalsContact O-N 3.14Å; Q451-F453 HydrophobicContact CB-CD2 4.43Å; Q451-F453 HydrophobicContact CB-CE2 4.09Å; Q451-F453 PolarHBondContact O-N 3.2Å
452I22.6Very low32.5Very low147 Ų147112.7 Ų112.775%0.75462%0.618SS**  trans-85.6108.4179.1-58.5174000107.1
453F23.1Very low31.2Very low162 Ų162116.1 Ų116.171%0.71164%0.638SS**  trans-94.1118.7167-78.5-83.3000109.1Q451 T455Q451-F453 HydrophobicContact CB-CD2 4.43Å; Q451-F453 HydrophobicContact CB-CE2 4.09Å; Q451-F453 PolarHBondContact O-N 3.2Å; F453-T455 PolarHBondContact O-N 2.93Å
454T21.8Very low30Very low122 Ų122121.6 Ų121.675%0.74866%0.663SS**  trans-76.1107.6170.647.10000109.1
455T23.8Very low28.5Very low112 Ų112126.1 Ų126.169%0.68770%0.695SS**  trans-109.891.3177.256.40000110.5F453 S457F453-T455 PolarHBondContact O-N 2.93Å; T455-S457 PolarHBondContact O-N 3.03Å; T455-S457 PolarHBondContact O-OG 2.89Å
456D22.3Very low27Very low157 Ų157130 Ų13084%0.8472%0.723SS**  trans-57.4121.3171.6-65.3-52.8000110P458D456-P458 WeakPolarHBondContact O-CD 3.36Å
457S22Very low25.5Very low103 Ų103133.7 Ų133.772%0.7275%0.751SS**  trans-102.1108.5-178.2-65.40000109.1T455T455-S457 PolarHBondContact O-N 3.03Å; T455-S457 PolarHBondContact O-OG 2.89Å
458P23.6Very low24.1Very low112 Ų112136.2 Ų136.273%0.72776%0.759SS**  trans-70136.7-175.727.7-34.3000111.5D456 L460D456-P458 WeakPolarHBondContact O-CD 3.36Å; P458-L460 PolarHBondContact O-N 3.38Å
459N20.4Very low23.2Very low166 Ų166139 Ų13989%0.88878%0.782SS**  trans-63.2124.3173.9-70.3-48.8000110.6
460L24Very low22.9Very low162 Ų162133.2 Ų133.285%0.84877%0.774SS**  trans-120.2110.3159.1-86.8102.3000109.7P458P458-L460 PolarHBondContact O-N 3.38Å
461S20.9Very low22.6Very low125 Ų125132.1 Ų132.187%0.87479%0.788SS**  trans-74.2144.915947.30000109.6
462G22.6Very low22.6Very low73 Ų73130.2 Ų130.275%0.75379%0.787SS**  trans-175.885.6-176.700000111.4
463C19Very low22.5Very low122 Ų122130.4 Ų130.482%0.82479%0.789SS**  trans-76.9134.3177.5-176.30000110.7
464H24.5Very low22.5Very low187 Ų187128.1 Ų128.187%0.86679%0.793SS**  trans-140.2142.6158.9-89.8-63.7000111.2
465S22.6Very low22.5Very low107 Ų107130.5 Ų130.575%0.74880%0.8SS**  trans-79.4150.2-169.249.80000113.8
466S21.2Very low22.7Very low123 Ų123129 Ų12986%0.8679%0.794SS**  trans-61.9137.1172.443.80000112.4
467S22.9Very low23Very low107 Ų107125.9 Ų125.975%0.74879%0.79SS**  trans-128.8122.3165.745.20000108.7
468Q21Very low24Very low194 Ų194123.1 Ų123.191%0.90777%0.769SS**  trans-79126.9-179-66.9173.9-15.400109.4
469V24.3Very low25.3Very low129 Ų129122.8 Ų122.878%0.78276%0.757SS**  trans-122.6120.2170.3-177.10000107.6
470P25.2Very low26.8Very low108 Ų108118.8 Ų118.870%0.70173%0.732SS**  trans-71.1151.2-173.128.5-34.9000112.1
471A22.6Very low28.4Very low100 Ų100114 Ų11483%0.82671%0.707SS**  trans-63.6135.7175.900000111
472T23.3Very low30.2Very low117 Ų117114.8 Ų114.872%0.71870%0.701SS**  trans-131.5121.8172.7-360000109C474T472-C474 VanDerWaalsContact C-N 3.31Å; T472-C474 PolarHBondContact O-N 3.17Å
473D21.8Very low32.2Very low150 Ų150112.9 Ų112.980%0.80268%0.681SS**  trans-7576-171.3-68.8-62.2000113.3L475D473-L475 VanDerWaalsContact C-N 3.32Å; D473-L475 PolarHBondContact O-N 3.29Å
474C22.8Very low34.8Very low115 Ų115108.4 Ų108.478%0.77765%0.649SS**  trans-70.286.5170.8-75.60000111.2T472 S476T472-C474 VanDerWaalsContact C-N 3.31Å; T472-C474 PolarHBondContact O-N 3.17Å; C474-S476 PolarHBondContact O-N 3.09Å
475L22.4Very low37.2Very low171 Ų171101.9 Ų101.990%0.89562%0.619SS**  trans-55.974.8173-73.4166.9000113.1D473 A477D473-L475 VanDerWaalsContact C-N 3.32Å; D473-L475 PolarHBondContact O-N 3.29Å; L475-A477 PolarHBondContact O-N 3.41Å
476S27.6Very low40.3Very low81 Ų8197 Ų9757%0.56658%0.584SS**  trans-91.690.3172.9-156.60000110.3C474 T478C474-S476 PolarHBondContact O-N 3.09Å; S476-T478 VanDerWaalsContact C-N 3.29Å; S476-T478 PolarHBondContact O-N 3.11Å; S476-T478 PolarHBondContact O-OG1 2.95Å
477A28.1Very low43.4Very low92 Ų9292.2 Ų92.276%0.7655%0.548SS*.  trans-5596.2165.700000109.4K65 L475K65-A477 PolarHBondContact NZ-O 3.18Å; L475-A477 PolarHBondContact O-N 3.41Å
478T43.5Very low46.3Very low44 Ų4487.4 Ų87.427%0.2752%0.515SS..  trans-106.7141.8174.627.50000106.5S476 K480S476-T478 VanDerWaalsContact C-N 3.29Å; S476-T478 PolarHBondContact O-N 3.11Å; S476-T478 PolarHBondContact O-OG1 2.95Å; T478-K480 PolarHBondContact O-N 3.34Å
479E50.3Low49.4Very low105 Ų10578.8 Ų78.849%0.49147%0.474SS..  trans-71.871.3170.8-63.6128.4165.100108.2K88 I481K88-E479 IonicContact NZ-OE1 3.31Å; K88-E479 PolarHBondContact NZ-OE1 3.17Å; K88-E479 IonicContact NZ-OE2 3.17Å; K88-E479 PolarHBondContact NZ-OE2 3.48Å; E479-I481 PolarHBondContact O-N 3.02Å; E479-I481 VanDerWaalsContact O-N 3.07Å
480K53.1Low52.2Low83 Ų8373.2 Ų73.236%0.36144%0.439SS..  trans-71.491.6179.7-83.1176.3150.7-1370108.7T478 N482 G483T478-K480 PolarHBondContact O-N 3.34Å; K480-N482 PolarHBondContact O-N 3.5Å; K480-N482 VanDerWaalsContact O-N 3.11Å; K480-G483 VanDerWaalsContact CD-O 3.28Å; K480-G483 WeakPolarHBondContact CD-O 3.27Å; K480-G483 VanDerWaalsContact CE-O 3.26Å; K480-G483 WeakPolarHBondContact CE-O 3.38Å; K480-G483 PolarHBondContact NZ-O 3.38Å; K480-G483 PolarHBondContact O-N 2.9Å; K480-G483 VanDerWaalsContact O-N 3.14Å
481I57.5Low54.7Low62 Ų6271.5 Ų71.532%0.31843%0.428SS..G310 helixtrans-57.6120.7168.2-51.4-178.7000106.9E479 G483 L484E479-I481 PolarHBondContact O-N 3.02Å; E479-I481 VanDerWaalsContact O-N 3.07Å; I481-G483 PolarHBondContact O-N 3.4Å; I481-G483 VanDerWaalsContact O-N 3.13Å; I481-L484 PolarHBondContact O-N 3.14Å; I481-L484 VanDerWaalsContact O-N 3.14Å
482N57.5Low57.5Low140 Ų14070 Ų7075%0.74940%0.401SS*.G310 helixtrans49.236.3-176.4-56.95.5000114.1K480 L484K480-N482 PolarHBondContact O-N 3.5Å; K480-N482 VanDerWaalsContact O-N 3.11Å; N482-L484 VanDerWaalsContact C-N 3.28Å; N482-L484 PolarHBondContact O-N 3.35Å
483G63.9Low60Low33 Ų3365.3 Ų65.334%0.3437%0.37SS..G310 helixtrans81.1-7.417700000115.9K480 I481K480-G483 VanDerWaalsContact CD-O 3.28Å; K480-G483 WeakPolarHBondContact CD-O 3.27Å; K480-G483 VanDerWaalsContact CE-O 3.26Å; K480-G483 WeakPolarHBondContact CE-O 3.38Å; K480-G483 PolarHBondContact NZ-O 3.38Å; K480-G483 PolarHBondContact O-N 2.9Å; K480-G483 VanDerWaalsContact O-N 3.14Å; I481-G483 PolarHBondContact O-N 3.4Å; I481-G483 VanDerWaalsContact O-N 3.13Å
484L73.5Confident62.2Low28 Ų2862.3 Ų62.315%0.14735%0.351CS..  trans-96.1138.2-175.3-64.4176.8000113T83 I481 N482 P491T83-L484 HydrophobicContact CG2-CB 4.39Å; T83-L484 PolarHBondContact OG1-O 2.77Å; I481-L484 PolarHBondContact O-N 3.14Å; I481-L484 VanDerWaalsContact O-N 3.14Å; N482-L484 VanDerWaalsContact C-N 3.28Å; N482-L484 PolarHBondContact O-N 3.35Å; L484-P491 HydrophobicContact CD2-CB 4.49Å; L484-P491 HydrophobicContact CD2-CG 4.35Å
485E76.5Confident64.1Low50 Ų5057.3 Ų57.323%0.23432%0.319CS..SBendtrans-83.9-30.5176-169.6-178-178.800112.4K82 T83K82-E485 WeakPolarHBondContact CA-O 3.17Å; K82-E485 VanDerWaalsContact NZ-CD 3.26Å; K82-E485 IonicContact NZ-OE1 2.68Å; K82-E485 PolarHBondContact NZ-OE1 2.71Å; T83-E485 PolarHBondContact N-O 2.69Å
486F86.1Confident66.1Low4 Ų452.7 Ų52.72%0.01830%0.295CS..BIsolated β-bridgetrans-133148.6-177.8-55-82.9000112K78 L81 K82 R225 E266 Q489K78-F486 HydrophobicContact CB-CE2 3.82Å; K78-F486 HydrophobicContact CB-CZ 4.09Å; K78-F486 WeakPolarHBondContact O-CD2 3.48Å; K78-F486 VanDerWaalsContact O-CE2 3.28Å; K78-F486 WeakPolarHBondContact O-CE2 3.48Å; L81-F486 CarbonylContact O-C 3.56Å; L81-F486 WeakPolarHBondContact O-CA 3.34Å; L81-F486 WeakPolarHBondContact O-CB 3.42Å; K82-F486 HydrophobicContact CD-CE1 4.22Å; K82-F486 HydrophobicContact CG-CD1 3.71Å; K82-F486 HydrophobicContact CG-CE1 3.46Å; K82-F486 VanDerWaalsContact CG-CE1 3.46Å; K82-F486 HydrophobicContact CG-CZ 4.4Å; K82-F486 VanDerWaalsContact NZ-CZ 3.31Å; R225-F486 VanDerWaalsContact NH2-CE1 3.25Å; E266-F486 WeakPolarHBondContact OE1-CB 3.2Å; F486-Q489 HydrophobicContact CB-CB 4.34Å
487Y87.6Confident67.9Low24 Ų2450.9 Ų50.99%0.09428%0.277CS..THydrogen-bonded Turntrans-71.6133.5177.3-69.8-76.8000111.3P8 L81 T83 M86 E266 F273 Q489P8-Y487 HydrophobicContact CB-CE1 4.26Å; P8-Y487 HydrophobicContact CG-CD1 4.28Å; P8-Y487 HydrophobicContact CG-CE1 3.55Å; L81-Y487 HydrophobicContact CB-CD2 4.13Å; L81-Y487 HydrophobicContact CD2-CD2 3.95Å; L81-Y487 HydrophobicContact CD2-CE2 4.14Å; L81-Y487 HydrophobicContact CG-CD2 3.88Å; L81-Y487 HydrophobicContact CG-CE2 4.2Å; L81-Y487 PolarHBondContact O-N 2.93Å; T83-Y487 HydrophobicContact CG2-CD1 4.07Å; T83-Y487 HydrophobicContact CG2-CD2 4.44Å; T83-Y487 HydrophobicContact CG2-CE1 4.22Å; T83-Y487 HydrophobicContact CG2-CG 4.2Å; T83-Y487 PolarHBondContact O-OH 3.36Å; M86-Y487 HydrophobicContact CE-CE2 3.89Å; M86-Y487 VanDerWaalsContact CE-OH 3.27Å; M86-Y487 WeakPolarHBondContact CE-OH 3.46Å; E266-Y487 VanDerWaalsContact CG-O 3.27Å; E266-Y487 WeakPolarHBondContact CG-O 3.49Å; F273-Y487 AromaticContact CE2-CD1 3.68Å; F273-Y487 HydrophobicContact CE2-CD1 3.68Å; F273-Y487 AromaticContact CE2-CD2 3.97Å; F273-Y487 HydrophobicContact CE2-CD2 3.97Å; F273-Y487 HydrophobicContact CE2-CE1 4.07Å; F273-Y487 HydrophobicContact CE2-CE2 4.31Å; F273-Y487 AromaticContact CE2-CG 3.62Å; F273-Y487 HydrophobicContact CE2-CG 3.62Å; F273-Y487 HydrophobicContact CZ-CD1 4.02Å; F273-Y487 HydrophobicContact CZ-CE1 4.45Å; F273-Y487 HydrophobicContact CZ-CG 4.31Å; Y487-Q489 VanDerWaalsContact C-N 3.27Å; Y487-Q489 PolarHBondContact O-N 3.48Å
488G83.7Confident69.7Low5 Ų548.5 Ų48.55%0.05226%0.255CS..THydrogen-bonded Turntrans76.97-178.400000114.7L265 E266 T269L265-G488 WeakPolarHBondContact CD2-O 3.39Å; L265-G488 WeakPolarHBondContact CG-O 3.46Å; E266-G488 WeakPolarHBondContact CA-O 3.41Å; E266-G488 PolarHBondContact N-O 2.96Å; T269-G488 WeakPolarHBondContact OG1-CA 3.48Å
489Q84.8Confident70.8Confident13 Ų1352 Ų526%0.06127%0.271CS..  trans-77.4127.1172.3179.6161.369.400110.8F486 Y487 R493F486-Q489 HydrophobicContact CB-CB 4.34Å; Y487-Q489 VanDerWaalsContact C-N 3.27Å; Y487-Q489 PolarHBondContact O-N 3.48Å; Q489-R493 PolarHBondContact NE2-O 2.88Å
490R84.2Confident71.7Confident13 Ų1354.5 Ų54.55%0.04928%0.283CS..  trans-67.5131.6176.9-66.3-176.7173.5124.8-8.3110.2D261 A262 L265 E313 W492 R493D261-R490 PolarHBondContact O-NH1 2.83Å; A262-R490 PolarHBondContact O-NH1 2.89Å; L265-R490 HydrophobicContact CD2-CG 3.77Å; E313-R490 IonicContact OE1-NE 3.74Å; E313-R490 IonicContact OE1-NH2 3.44Å; E313-R490 IonicContact OE2-CZ 3.3Å; E313-R490 IonicContact OE2-NH2 3.56Å; E313-R490 PolarHBondContact OE2-NH2 3.41Å; R490-W492 HydrophobicContact CB-CD2 4.33Å; R490-W492 HydrophobicContact CB-CH2 4.31Å; R490-W492 HydrophobicContact CB-CZ2 4.09Å; R490-W492 HydrophobicContact CG-CH2 4.49Å; R490-W492 HydrophobicContact CG-CZ2 4.34Å; R490-W492 PolarHBondContact O-N 3.41Å; R490-R493 CarbonylContact O-C 3.55Å; R490-R493 PolarHBondContact O-N 2.9Å
491P78.1Confident72.5Confident71 Ų7152.5 Ų52.546%0.46128%0.278SS..THydrogen-bonded Turntrans-56.2-28.7-170.2-29.435.1000116.1L484 Q494L484-P491 HydrophobicContact CD2-CB 4.49Å; L484-P491 HydrophobicContact CD2-CG 4.35Å; P491-Q494 WeakPolarHBondContact O-CG 3.19Å; P491-Q494 PolarHBondContact O-NE2 2.79Å
492W80.1Confident73.1Confident69 Ų6953 Ų5326%0.26129%0.286SS..THydrogen-bonded Turntrans-89.7-11.5178.96189.4000114.3R490 E507 G510 L514R490-W492 HydrophobicContact CB-CD2 4.33Å; R490-W492 HydrophobicContact CB-CH2 4.31Å; R490-W492 HydrophobicContact CB-CZ2 4.09Å; R490-W492 HydrophobicContact CG-CH2 4.49Å; R490-W492 HydrophobicContact CG-CZ2 4.34Å; R490-W492 PolarHBondContact O-N 3.41Å; W492-E507 VanDerWaalsContact CD1-OE2 3.26Å; W492-E507 PolarHBondContact NE1-OE2 3.39Å; W492-G510 WeakPolarHBondContact CH2-O 3.48Å; W492-L514 HydrophobicContact CH2-CD1 3.74Å; W492-L514 HydrophobicContact CH2-CG 3.96Å; W492-L514 HydrophobicContact CZ3-CD1 4.48Å; W492-L514 HydrophobicContact CZ3-CG 4.35Å
493R75.8Confident74.1Confident18 Ų1849.6 Ų49.67%0.06827%0.267CS..SBendtrans-108.854.5171.5-71.6-159.1-175.7-145.917.3111.4Q489 R490 G495 S498 I499 E500 E507Q489-R493 PolarHBondContact NE2-O 2.88Å; R490-R493 CarbonylContact O-C 3.55Å; R490-R493 PolarHBondContact O-N 2.9Å; R493-G495 PolarHBondContact O-N 3.23Å; R493-S498 PolarHBondContact NH1-O 3.17Å; R493-I499 PolarHBondContact NH1-O 2.86Å; R493-E500 PolarHBondContact NH1-O 2.94Å; R493-E507 IonicContact CZ-OE1 2.67Å; R493-E507 VanDerWaalsContact CZ-OE1 3.28Å; R493-E507 IonicContact CZ-OE2 2.92Å; R493-E507 VanDerWaalsContact NE-CD 3.26Å; R493-E507 IonicContact NE-OE1 3.6Å; R493-E507 PolarHBondContact NE-OE1 3.35Å; R493-E507 IonicContact NE-OE2 3.98Å; R493-E507 PolarHBondContact NE-OE2 2.72Å; R493-E507 VanDerWaalsContact NH2-CD 3.35Å; R493-E507 IonicContact NH2-OE1 2.7Å; R493-E507 PolarHBondContact NH2-OE1 3.4Å; R493-E507 IonicContact NH2-OE2 3.71Å
494Q69.1Low74.8Confident87 Ų8751.8 Ų51.841%0.40728%0.276SS..THydrogen-bonded Turntrans-75.3121.9178.2-81.4177.166.200112.5P491 I496P491-Q494 WeakPolarHBondContact O-CG 3.19Å; P491-Q494 PolarHBondContact O-NE2 2.79Å; Q494-I496 PolarHBondContact O-N 2.79Å
495G62.3Low75.1Confident10 Ų1053.8 Ų53.810%0.10329%0.289CS..THydrogen-bonded Turntrans77.99.7164.700000117K78 R493K78-G495 WeakPolarHBondContact CD-O 3.37Å; K78-G495 WeakPolarHBondContact CG-O 3.11Å; R493-G495 PolarHBondContact O-N 3.23Å
496I65.6Low75.3Confident74 Ų7457.2 Ų57.238%0.37930%0.303SS..  trans-133.1131.9-179.2-56.6171.5000109.5Q494 S498 P502Q494-I496 PolarHBondContact O-N 2.79Å; I496-S498 WeakPolarHBondContact CG2-OG 3.37Å; I496-P502 HydrophobicContact CB-CG 4.03Å; I496-P502 HydrophobicContact CD1-CB 4.02Å; I496-P502 HydrophobicContact CD1-CG 3.75Å; I496-P502 HydrophobicContact CG1-CG 4.5Å; I496-P502 HydrophobicContact CG2-CG 3.81Å
497Q64.2Low75.2Confident43 Ų4357.8 Ų57.820%0.20131%0.306CS..  trans-11729.3-179.8-71.8-173.5-28.500113.6P77 H263 E266P77-Q497 PolarHBondContact O-OE1 3.29Å; P77-Q497 VanDerWaalsContact O-OE1 3.08Å; H263-Q497 VanDerWaalsContact NE2-C 3.34Å; H263-Q497 PolarHBondContact NE2-O 3.18Å; E266-Q497 PolarHBondContact OE2-NE2 2.91Å
498S66.9Low75Confident43 Ų4365 Ų6530%0.30133%0.333SS..  trans-59.3149.6169.152.40000111.3H263 R493 I496 E500H263-S498 PolarHBondContact CE1-O 3.35Å; H263-S498 PolarHBondContact NE2-O 3.07Å; R493-S498 PolarHBondContact NH1-O 3.17Å; I496-S498 WeakPolarHBondContact CG2-OG 3.37Å; S498-E500 WeakPolarHBondContact CB-O 3.14Å; S498-E500 PolarHBondContact OG-O 3.29Å
499I66.3Low75.1Confident118 Ų11869.9 Ų69.961%0.60536%0.355SS*.SBendtrans-62.1-56.1171.6-63.1171.4000108.2L260 R493L260-I499 HydrophobicContact CD1-CG1 4.03Å; L260-I499 HydrophobicContact CD2-CG1 4.35Å; R493-I499 PolarHBondContact NH1-O 2.86Å
500E68.6Low75.1Confident156 Ų15669.6 Ų69.673%0.72936%0.356SS*.SBendtrans-65.1143.9174.9-62-179.217100112R493 S498R493-E500 PolarHBondContact NH1-O 2.94Å; S498-E500 WeakPolarHBondContact CB-O 3.14Å; S498-E500 PolarHBondContact OG-O 3.29Å
501P69.8Low75.2Confident41 Ų4170.1 Ų70.127%0.26636%0.359SS..  trans-68.9130.7174.328.3-33.4000111N503 P504 E507P501-N503 PolarHBondContact O-N 3.45Å; P501-P504 HydrophobicContact CG-CB 3.88Å; P501-E507 HydrophobicContact CB-CB 3.79Å; P501-E507 HydrophobicContact CB-CG 4.03Å; P501-E507 HydrophobicContact CG-CB 4.4Å
502P70Confident75.6Confident74 Ų7469 Ų6948%0.48135%0.349SS..SBendtrans-58.8-19.8175.1-25.935.4000114.3I496I496-P502 HydrophobicContact CB-CG 4.03Å; I496-P502 HydrophobicContact CD1-CB 4.02Å; I496-P502 HydrophobicContact CD1-CG 3.75Å; I496-P502 HydrophobicContact CG1-CG 4.5Å; I496-P502 HydrophobicContact CG2-CG 3.81Å
503N79.6Confident75.9Confident67 Ų6768.7 Ų68.736%0.35836%0.357SS..SBendtrans-147.9108.6166.9-177.8-50.6000108.2P501 T505 K506 E507P501-N503 PolarHBondContact O-N 3.45Å; N503-T505 VanDerWaalsContact C-N 3.28Å; N503-T505 PolarHBondContact O-N 3.46Å; N503-T505 WeakPolarHBondContact OD1-CB 3.45Å; N503-T505 PolarHBondContact OD1-N 2.9Å; N503-T505 VanDerWaalsContact OD1-N 3.07Å; N503-K506 HydrophobicContact CB-CB 4.13Å; N503-K506 HydrophobicContact CB-CD 4.41Å; N503-K506 HydrophobicContact CB-CG 4.33Å; N503-K506 PolarHBondContact O-N 3.42Å; N503-K506 PolarHBondContact OD1-N 3.46Å; N503-E507 PolarHBondContact O-N 3.37Å; N503-E507 VanDerWaalsContact O-N 3.09Å
504P77.7Confident76.5Confident79 Ų7969.2 Ų69.251%0.51336%0.361SS..Hα-helixtrans-68.8-24.4-175.926.2-34.1000113.5P501 R508P501-P504 HydrophobicContact CG-CB 3.88Å; P504-R508 PolarHBondContact O-N 2.91Å; P504-R508 VanDerWaalsContact O-N 3.15Å
505T80.7Confident77.4Confident71 Ų7165.4 Ų65.444%0.43634%0.344SS..Hα-helixtrans-69.4-50.1175.2-44.50000110.1N503 E507 R508 E509N503-T505 VanDerWaalsContact C-N 3.28Å; N503-T505 PolarHBondContact O-N 3.46Å; N503-T505 WeakPolarHBondContact OD1-CB 3.45Å; N503-T505 PolarHBondContact OD1-N 2.9Å; N503-T505 VanDerWaalsContact OD1-N 3.07Å; T505-E507 VanDerWaalsContact C-N 3.28Å; T505-E507 PolarHBondContact O-N 2.95Å; T505-R508 WeakPolarHBondContact O-CB 3.35Å; T505-R508 PolarHBondContact O-N 2.65Å; T505-E509 WeakPolarHBondContact CG2-OE1 3.48Å; T505-E509 WeakPolarHBondContact O-CG 3.32Å; T505-E509 PolarHBondContact O-N 2.7Å
506K80.8Confident78.6Confident121 Ų12168.1 Ų68.153%0.52635%0.353SS..Hα-helixtrans-63.7-30.9176.2-69.9-172.6175.3-1730113.5N503 E509 G510N503-K506 HydrophobicContact CB-CB 4.13Å; N503-K506 HydrophobicContact CB-CD 4.41Å; N503-K506 HydrophobicContact CB-CG 4.33Å; N503-K506 PolarHBondContact O-N 3.42Å; N503-K506 PolarHBondContact OD1-N 3.46Å; K506-E509 WeakPolarHBondContact CA-OE2 3.46Å; K506-G510 PolarHBondContact O-N 3.03Å
507E83Confident79.7Confident16 Ų1669.1 Ų69.18%0.07536%0.355CS..Hα-helixtrans-62.9-47.1170.6-175.979160.200111.2W492 R493 P501 N503 T505 G510 I511W492-E507 VanDerWaalsContact CD1-OE2 3.26Å; W492-E507 PolarHBondContact NE1-OE2 3.39Å; R493-E507 IonicContact CZ-OE1 2.67Å; R493-E507 VanDerWaalsContact CZ-OE1 3.28Å; R493-E507 IonicContact CZ-OE2 2.92Å; R493-E507 VanDerWaalsContact NE-CD 3.26Å; R493-E507 IonicContact NE-OE1 3.6Å; R493-E507 PolarHBondContact NE-OE1 3.35Å; R493-E507 IonicContact NE-OE2 3.98Å; R493-E507 PolarHBondContact NE-OE2 2.72Å; R493-E507 VanDerWaalsContact NH2-CD 3.35Å; R493-E507 IonicContact NH2-OE1 2.7Å; R493-E507 PolarHBondContact NH2-OE1 3.4Å; R493-E507 IonicContact NH2-OE2 3.71Å; P501-E507 HydrophobicContact CB-CB 3.79Å; P501-E507 HydrophobicContact CB-CG 4.03Å; P501-E507 HydrophobicContact CG-CB 4.4Å; N503-E507 PolarHBondContact O-N 3.37Å; N503-E507 VanDerWaalsContact O-N 3.09Å; T505-E507 VanDerWaalsContact C-N 3.28Å; T505-E507 PolarHBondContact O-N 2.95Å; E507-G510 PolarHBondContact O-N 3.39Å; E507-I511 HydrophobicContact CG-CD1 4.1Å; E507-I511 VanDerWaalsContact O-CG1 3.3Å; E507-I511 WeakPolarHBondContact O-CG1 3.46Å; E507-I511 PolarHBondContact O-N 2.85Å
508R83.8Confident80.9Confident175 Ų17567.2 Ų67.266%0.6635%0.347SS*.Hα-helixtrans-65.3-43.3178.1-168.7-173.8-61.6132.8-0.2111.9P504 T505 I511 L512P504-R508 PolarHBondContact O-N 2.91Å; P504-R508 VanDerWaalsContact O-N 3.15Å; T505-R508 WeakPolarHBondContact O-CB 3.35Å; T505-R508 PolarHBondContact O-N 2.65Å; R508-I511 PolarHBondContact O-N 3.4Å; R508-L512 WeakPolarHBondContact O-CB 3.35Å; R508-L512 PolarHBondContact O-N 2.82Å
509E85.2Confident81.9Confident108 Ų10868.4 Ų68.451%0.50535%0.349SS..Hα-helixtrans-60.7-43.8174.6-70163.8176.600111.6T505 K506 L512 S513T505-E509 WeakPolarHBondContact CG2-OE1 3.48Å; T505-E509 WeakPolarHBondContact O-CG 3.32Å; T505-E509 PolarHBondContact O-N 2.7Å; K506-E509 WeakPolarHBondContact CA-OE2 3.46Å; E509-L512 PolarHBondContact O-N 2.66Å; E509-S513 VanDerWaalsContact O-CB 3.24Å; E509-S513 WeakPolarHBondContact O-CB 3.49Å; E509-S513 PolarHBondContact O-N 3.11Å
510G85.6Confident83.1Confident8 Ų869.7 Ų69.78%0.08235%0.35CS..Hα-helixtrans-65.5-41.3177.400000113.5W492 K506 E507 S513 L514W492-G510 WeakPolarHBondContact CH2-O 3.48Å; K506-G510 PolarHBondContact O-N 3.03Å; E507-G510 PolarHBondContact O-N 3.39Å; G510-S513 PolarHBondContact O-N 3.38Å; G510-L514 PolarHBondContact O-N 2.98Å
511I86.4Confident84Confident23 Ų2364.1 Ų64.112%0.11833%0.327CS..Hα-helixtrans-63.9-47.7173.8-69166.2000110.6L307 Q309 L310 E507 R508 S513 L514 Q515L307-I511 HydrophobicContact CD1-CD1 4.22Å; Q309-I511 HydrophobicContact CB-CG2 3.9Å; L310-I511 HydrophobicContact CD1-CG1 4.27Å; L310-I511 HydrophobicContact CD2-CG2 4.07Å; L310-I511 HydrophobicContact CG-CG2 4.31Å; E507-I511 HydrophobicContact CG-CD1 4.1Å; E507-I511 VanDerWaalsContact O-CG1 3.3Å; E507-I511 WeakPolarHBondContact O-CG1 3.46Å; E507-I511 PolarHBondContact O-N 2.85Å; R508-I511 PolarHBondContact O-N 3.4Å; I511-S513 VanDerWaalsContact C-N 3.31Å; I511-S513 PolarHBondContact O-N 3.25Å; I511-L514 PolarHBondContact O-N 3.26Å; I511-Q515 WeakPolarHBondContact O-CG 3.44Å; I511-Q515 PolarHBondContact O-N 2.88Å
512L86.1Confident84.9Confident47 Ų4765.7 Ų65.725%0.24633%0.333CS..Hα-helixtrans-63.3-37.4178-177.965.6000111.8V371 A374 R508 E509 Q515 K516V371-L512 HydrophobicContact CG2-CD1 4.03Å; A374-L512 HydrophobicContact CB-CD1 3.9Å; A374-L512 HydrophobicContact CB-CD2 3.66Å; A374-L512 HydrophobicContact CB-CG 4.44Å; R508-L512 WeakPolarHBondContact O-CB 3.35Å; R508-L512 PolarHBondContact O-N 2.82Å; E509-L512 PolarHBondContact O-N 2.66Å; L512-Q515 PolarHBondContact O-N 3.37Å; L512-K516 WeakPolarHBondContact O-CG 3.32Å; L512-K516 PolarHBondContact O-N 3.44Å
513S86.9Confident85.9Confident64 Ų6463 Ų6345%0.44831%0.314SS..Hα-helixtrans-63.1-44.9174.5176.70000111.7E509 G510 I511 Q515 K516 E517E509-S513 VanDerWaalsContact O-CB 3.24Å; E509-S513 WeakPolarHBondContact O-CB 3.49Å; E509-S513 PolarHBondContact O-N 3.11Å; G510-S513 PolarHBondContact O-N 3.38Å; I511-S513 VanDerWaalsContact C-N 3.31Å; I511-S513 PolarHBondContact O-N 3.25Å; S513-Q515 VanDerWaalsContact C-N 3.3Å; S513-Q515 PolarHBondContact O-N 3.42Å; S513-K516 PolarHBondContact O-N 3.36Å; S513-E517 WeakPolarHBondContact O-CG 3.49Å; S513-E517 PolarHBondContact O-N 3.28Å
514L86.8Confident86.5Confident29 Ų2960.2 Ų60.215%0.15230%0.3CS..Hα-helixtrans-60.6-39172.7-75.5-174.1000112.3M1 L310 W492 G510 I511 E517 E518M1-L514 HydrophobicContact SD-CD2 4.39Å; L310-L514 HydrophobicContact CD1-CD1 3.98Å; L310-L514 HydrophobicContact CD2-CB 4.01Å; L310-L514 HydrophobicContact CD2-CD1 4.04Å; W492-L514 HydrophobicContact CH2-CD1 3.74Å; W492-L514 HydrophobicContact CH2-CG 3.96Å; W492-L514 HydrophobicContact CZ3-CD1 4.48Å; W492-L514 HydrophobicContact CZ3-CG 4.35Å; G510-L514 PolarHBondContact O-N 2.98Å; I511-L514 PolarHBondContact O-N 3.26Å; L514-E517 PolarHBondContact O-N 3.01Å; L514-E518 VanDerWaalsContact O-CB 3.32Å; L514-E518 WeakPolarHBondContact O-CB 3.23Å; L514-E518 PolarHBondContact O-N 3.08Å
515Q88.7Confident87.1Confident7 Ų759 Ų593%0.03329%0.293CS..Hα-helixtrans-65.7-40.7176.3-69.6178.4-21.900112.2Q309 F312 C367 T370 V371 I511 L512 S513 E518 L519Q309-Q515 PolarHBondContact O-NE2 3.17Å; F312-Q515 HydrophobicContact CE1-CG 3.96Å; F312-Q515 HydrophobicContact CZ-CG 4.04Å; C367-Q515 HydrophobicContact CB-CB 4.04Å; C367-Q515 HydrophobicContact CB-CG 4.45Å; T370-Q515 PolarHBondContact OG1-OE1 2.94Å; V371-Q515 HydrophobicContact CG2-CB 4.17Å; I511-Q515 WeakPolarHBondContact O-CG 3.44Å; I511-Q515 PolarHBondContact O-N 2.88Å; L512-Q515 PolarHBondContact O-N 3.37Å; S513-Q515 VanDerWaalsContact C-N 3.3Å; S513-Q515 PolarHBondContact O-N 3.42Å; Q515-E518 PolarHBondContact O-N 2.97Å; Q515-L519 WeakPolarHBondContact O-CG 3.37Å; Q515-L519 PolarHBondContact O-N 2.72Å
516K88.2Confident87.4Confident67 Ų6759.3 Ų59.329%0.29129%0.289SS..Hα-helixtrans-67.2-33.8174.8-73.9-170.5-177.2-119.50113.3V371 E375 L512 S513V371-K516 HydrophobicContact CB-CG 4.36Å; V371-K516 HydrophobicContact CG1-CD 4.36Å; V371-K516 HydrophobicContact CG1-CG 3.82Å; V371-K516 HydrophobicContact CG2-CG 3.58Å; E375-K516 IonicContact OE1-NZ 2.91Å; E375-K516 PolarHBondContact OE1-NZ 2.87Å; L512-K516 WeakPolarHBondContact O-CG 3.32Å; L512-K516 PolarHBondContact O-N 3.44Å; S513-K516 PolarHBondContact O-N 3.36Å
517E88.1Confident88Confident94 Ų9453.6 Ų53.644%0.43926%0.264SS..Hα-helixtrans-76.3-37.1173.6-64.3-45.9121.300112.5S513 L514 L519 K520S513-E517 WeakPolarHBondContact O-CG 3.49Å; S513-E517 PolarHBondContact O-N 3.28Å; L514-E517 PolarHBondContact O-N 3.01Å; E517-L519 VanDerWaalsContact C-N 3.27Å; E517-L519 PolarHBondContact O-N 2.86Å; E517-K520 WeakPolarHBondContact O-CB 3.43Å; E517-K520 PolarHBondContact O-N 3.37Å; E517-K520 IonicContact OE1-NZ 3.7Å; E517-K520 PolarHBondContact OE1-NZ 2.68Å; E517-K520 IonicContact OE2-NZ 2.72Å; E517-K520 PolarHBondContact OE2-NZ 2.9Å
518E90.3Very high88.5Confident3 Ų353.4 Ų53.41%0.01426%0.264CS..Hα-helixtrans-66.1-28.1177.9-173.769.4-163.700112.6F312 R359 C363 L514 Q515 K520 V521 H523F312-E518 HydrophobicContact CD2-CB 4.11Å; F312-E518 HydrophobicContact CD2-CG 3.48Å; F312-E518 VanDerWaalsContact CD2-CG 3.48Å; F312-E518 HydrophobicContact CE2-CB 3.71Å; F312-E518 HydrophobicContact CE2-CG 3.64Å; F312-E518 HydrophobicContact CG-CG 4.05Å; F312-E518 HydrophobicContact CZ-CB 4.17Å; F312-E518 HydrophobicContact CZ-CG 4.33Å; R359-E518 IonicContact CZ-OE1 3.18Å; R359-E518 IonicContact CZ-OE2 3.21Å; R359-E518 IonicContact NE-OE1 2.7Å; R359-E518 PolarHBondContact NE-OE1 2.63Å; R359-E518 IonicContact NE-OE2 2.57Å; R359-E518 IonicContact NH2-OE1 2.71Å; R359-E518 PolarHBondContact NH2-OE1 3.06Å; R359-E518 IonicContact NH2-OE2 2.71Å; R359-E518 PolarHBondContact NH2-OE2 2.97Å; C363-E518 HydrophobicContact CB-CG 4.03Å; L514-E518 VanDerWaalsContact O-CB 3.32Å; L514-E518 WeakPolarHBondContact O-CB 3.23Å; L514-E518 PolarHBondContact O-N 3.08Å; Q515-E518 PolarHBondContact O-N 2.97Å; E518-K520 PolarHBondContact O-N 3.29Å; E518-V521 WeakPolarHBondContact O-CB 3.28Å; E518-V521 PolarHBondContact O-N 3.08Å; E518-H523 IonicContact OE1-CD2 3.63Å; E518-H523 IonicContact OE1-CE1 2.66Å; E518-H523 IonicContact OE1-NE2 2.89Å; E518-H523 PolarHBondContact OE1-NE2 3.18Å
519L88.1Confident89Confident69 Ų6948.3 Ų48.336%0.36125%0.253SS..THydrogen-bonded Turntrans-66.2-18.1171-75.4171000113.9C367 I368 V371 Q515 E517C367-L519 HydrophobicContact CB-CD1 4.07Å; C367-L519 HydrophobicContact CB-CD2 3.83Å; C367-L519 HydrophobicContact CB-CG 3.69Å; I368-L519 HydrophobicContact CG1-CD2 3.56Å; V371-L519 HydrophobicContact CB-CD1 3.81Å; V371-L519 HydrophobicContact CG1-CD1 3.95Å; V371-L519 HydrophobicContact CG2-CD1 3.7Å; Q515-L519 WeakPolarHBondContact O-CG 3.37Å; Q515-L519 PolarHBondContact O-N 2.72Å; E517-L519 VanDerWaalsContact C-N 3.27Å; E517-L519 PolarHBondContact O-N 2.86Å
520K89.7Confident89.5Confident144 Ų14443.7 Ų43.763%0.62623%0.232SC*.THydrogen-bonded Turntrans-91.9-1.1176.8-54.4172.6-166.8168.20112.7E517 E518E517-K520 WeakPolarHBondContact O-CB 3.43Å; E517-K520 PolarHBondContact O-N 3.37Å; E517-K520 IonicContact OE1-NZ 3.7Å; E517-K520 PolarHBondContact OE1-NZ 2.68Å; E517-K520 IonicContact OE2-NZ 2.72Å; E517-K520 PolarHBondContact OE2-NZ 2.9Å; E518-K520 PolarHBondContact O-N 3.29Å
521V88.5Confident89.9Confident39 Ų3943.4 Ų43.424%0.23623%0.228CC..  trans-85.5119.4-176.2178.30000110.1E518 H523 F526E518-V521 WeakPolarHBondContact O-CB 3.28Å; E518-V521 PolarHBondContact O-N 3.08Å; V521-H523 VanDerWaalsContact C-N 3.35Å; V521-H523 PolarHBondContact O-CE1 3.34Å; V521-H523 PolarHBondContact O-N 3.41Å; V521-H523 PolarHBondContact O-ND1 3.12Å; V521-F526 HydrophobicContact CG1-CD2 4.47Å; V521-F526 HydrophobicContact CG1-CE2 3.71Å; V521-F526 HydrophobicContact CG1-CZ 4.5Å
522D89.4Confident90.3Very high75 Ų7545.6 Ų45.640%0.40124%0.238SC..  trans-69.288.8164.1170.84.9000109.5S524 S525 F526 K561D522-S524 PolarHBondContact O-N 2.98Å; D522-S524 PolarHBondContact OD1-N 2.89Å; D522-S524 VanDerWaalsContact OD1-N 3.17Å; D522-S525 WeakPolarHBondContact O-CB 3.08Å; D522-S525 PolarHBondContact O-N 2.9Å; D522-S525 PolarHBondContact O-OG 2.85Å; D522-S525 PolarHBondContact OD1-N 2.84Å; D522-S525 WeakPolarHBondContact OD2-CB 3.12Å; D522-F526 WeakPolarHBondContact O-CD2 3.4Å; D522-K561 VanDerWaalsContact CG-NZ 3.3Å; D522-K561 VanDerWaalsContact OD1-CE 3.22Å; D522-K561 WeakPolarHBondContact OD1-CE 3.27Å; D522-K561 IonicContact OD1-NZ 3.74Å; D522-K561 PolarHBondContact OD1-NZ 2.68Å; D522-K561 IonicContact OD2-NZ 2.71Å; D522-K561 PolarHBondContact OD2-NZ 2.84Å
523H91.1Very high90.6Very high17 Ų1746.3 Ų46.38%0.07924%0.24CC..THydrogen-bonded Turntrans-58.9-34.1178-61.1100.8000112.6R360 E518 V521 S525 F526 I527R360-H523 HydrophobicContact CB-CB 3.8Å; R360-H523 HydrophobicContact CG-CB 4.15Å; E518-H523 IonicContact OE1-CD2 3.63Å; E518-H523 IonicContact OE1-CE1 2.66Å; E518-H523 IonicContact OE1-NE2 2.89Å; E518-H523 PolarHBondContact OE1-NE2 3.18Å; V521-H523 VanDerWaalsContact C-N 3.35Å; V521-H523 PolarHBondContact O-CE1 3.34Å; V521-H523 PolarHBondContact O-N 3.41Å; V521-H523 PolarHBondContact O-ND1 3.12Å; H523-S525 PolarHBondContact O-N 2.9Å; H523-F526 WeakPolarHBondContact O-CB 3.33Å; H523-F526 PolarHBondContact O-N 3.33Å; H523-I527 HydrophobicContact CB-CD1 4.22Å; H523-I527 WeakPolarHBondContact O-CG1 3.47Å; H523-I527 PolarHBondContact O-N 3Å; H523-I527 VanDerWaalsContact O-N 3.12Å
524S91.1Very high90.9Very high9 Ų943.3 Ų43.36%0.06322%0.219CC..Hα-helixtrans-68.1-22.6-178-59.90000112.4R360 D522 F526 I527 I528 E557R360-S524 PolarHBondContact NH1-OG 3.31Å; D522-S524 PolarHBondContact O-N 2.98Å; D522-S524 PolarHBondContact OD1-N 2.89Å; D522-S524 VanDerWaalsContact OD1-N 3.17Å; S524-F526 PolarHBondContact O-N 3.23Å; S524-I527 PolarHBondContact O-N 3.17Å; S524-I528 WeakPolarHBondContact O-CB 3.44Å; S524-I528 WeakPolarHBondContact O-CG1 3.37Å; S524-I528 PolarHBondContact O-N 3.3Å; S524-I528 VanDerWaalsContact O-N 3.08Å; S524-E557 WeakPolarHBondContact CB-OE2 3.17Å; S524-E557 PolarHBondContact OG-OE2 3.42Å
525S89.6Confident91.2Very high53 Ų5345.2 Ų45.237%0.37122%0.224SC..Hα-helixtrans-61.6-25.9167.3720000114.1D522 H523 P529D522-S525 WeakPolarHBondContact O-CB 3.08Å; D522-S525 PolarHBondContact O-N 2.9Å; D522-S525 PolarHBondContact O-OG 2.85Å; D522-S525 PolarHBondContact OD1-N 2.84Å; D522-S525 WeakPolarHBondContact OD2-CB 3.12Å; H523-S525 PolarHBondContact O-N 2.9Å; S525-P529 WeakPolarHBondContact O-CD 3.46Å; S525-P529 WeakPolarHBondContact O-CG 3.43Å
526F88.8Confident91.3Very high77 Ų7747.3 Ų47.334%0.33824%0.235SC..Hα-helixtrans-91.7-38.7174.8-56.5-94.2000111.5V521 D522 H523 S524 L530V521-F526 HydrophobicContact CG1-CD2 4.47Å; V521-F526 HydrophobicContact CG1-CE2 3.71Å; V521-F526 HydrophobicContact CG1-CZ 4.5Å; D522-F526 WeakPolarHBondContact O-CD2 3.4Å; H523-F526 WeakPolarHBondContact O-CB 3.33Å; H523-F526 PolarHBondContact O-N 3.33Å; S524-F526 PolarHBondContact O-N 3.23Å; F526-L530 WeakPolarHBondContact O-CD1 3.45Å; F526-L530 VanDerWaalsContact O-CG 3.27Å; F526-L530 WeakPolarHBondContact O-CG 3.27Å
527I93Very high91.4Very high1 Ų144.5 Ų44.51%0.00522%0.223CC..Hα-helixtrans-66.3-46.2-176.3-60.4159.7000110.9A356 V357 H523 S524 L530 L531 E557A356-I527 HydrophobicContact CB-CG1 3.59Å; V357-I527 HydrophobicContact CG2-CD1 3.88Å; V357-I527 HydrophobicContact CG2-CG1 4.22Å; V357-I527 HydrophobicContact CG2-CG2 4.05Å; H523-I527 HydrophobicContact CB-CD1 4.22Å; H523-I527 WeakPolarHBondContact O-CG1 3.47Å; H523-I527 PolarHBondContact O-N 3Å; H523-I527 VanDerWaalsContact O-N 3.12Å; S524-I527 PolarHBondContact O-N 3.17Å; I527-L530 PolarHBondContact O-N 2.98Å; I527-L531 HydrophobicContact CG2-CD1 3.66Å; I527-L531 HydrophobicContact CG2-CG 4.08Å; I527-L531 WeakPolarHBondContact O-CG 3.5Å; I527-L531 PolarHBondContact O-N 2.81Å; I527-E557 HydrophobicContact CB-CG 4.37Å; I527-E557 WeakPolarHBondContact CD1-OE2 3.35Å; I527-E557 HydrophobicContact CG2-CG 3.75Å
528I93.8Very high91.5Very high13 Ų1340.2 Ų40.27%0.06720%0.203CC..Hα-helixtrans-61-49.7-174.4-68.8167000112.7S524 L530 L531 E532 E557 Y558 K561S524-I528 WeakPolarHBondContact O-CB 3.44Å; S524-I528 WeakPolarHBondContact O-CG1 3.37Å; S524-I528 PolarHBondContact O-N 3.3Å; S524-I528 VanDerWaalsContact O-N 3.08Å; I528-L530 VanDerWaalsContact C-N 3.33Å; I528-L530 PolarHBondContact O-N 2.85Å; I528-L531 PolarHBondContact O-N 3.08Å; I528-E532 PolarHBondContact O-N 2.94Å; I528-E557 HydrophobicContact CD1-CB 3.87Å; I528-E557 HydrophobicContact CG1-CB 3.57Å; I528-E557 HydrophobicContact CG1-CG 4.34Å; I528-Y558 HydrophobicContact CD1-CD1 3.93Å; I528-Y558 HydrophobicContact CD1-CE1 3.93Å; I528-Y558 HydrophobicContact CD1-CG 4.36Å; I528-Y558 HydrophobicContact CG2-CE1 4.16Å; I528-Y558 HydrophobicContact CG2-CE2 4.13Å; I528-Y558 WeakPolarHBondContact CG2-OH 3.49Å; I528-K561 HydrophobicContact CD1-CD 3.85Å
529P94.4Very high91.4Very high67 Ų6747.5 Ų47.544%0.43523%0.23SC..Hα-helixtrans-62-35.4176.7-25.636000114S525 E532 Q533S525-P529 WeakPolarHBondContact O-CD 3.46Å; S525-P529 WeakPolarHBondContact O-CG 3.43Å; P529-E532 PolarHBondContact O-N 2.63Å; P529-Q533 WeakPolarHBondContact O-CG 3.34Å; P529-Q533 PolarHBondContact O-N 2.75Å
530L95.2Very high91.4Very high12 Ų1251 Ų516%0.06324%0.239CC..Hα-helixtrans-68.1-41.7177.2-67.6171000111.4E323 Y349 A352 A356 F526 I527 I528 Q533 T534E323-L530 HydrophobicContact CB-CD2 4.11Å; E323-L530 HydrophobicContact CG-CD2 3.88Å; Y349-L530 HydrophobicContact CD1-CD2 4.03Å; A352-L530 HydrophobicContact CB-CD1 3.95Å; A352-L530 HydrophobicContact CB-CD2 3.99Å; A356-L530 HydrophobicContact CB-CD1 4.45Å; F526-L530 WeakPolarHBondContact O-CD1 3.45Å; F526-L530 VanDerWaalsContact O-CG 3.27Å; F526-L530 WeakPolarHBondContact O-CG 3.27Å; I527-L530 PolarHBondContact O-N 2.98Å; I528-L530 VanDerWaalsContact C-N 3.33Å; I528-L530 PolarHBondContact O-N 2.85Å; L530-Q533 PolarHBondContact O-N 3.19Å; L530-T534 WeakPolarHBondContact O-CB 3.4Å; L530-T534 PolarHBondContact O-N 3.46Å; L530-T534 PolarHBondContact O-OG1 3.3Å
531L94.4Very high91.2Very high1 Ų145 Ų451%0.00521%0.212CC..Hα-helixtrans-66.4-36.8173.3-67.9173.6000112.1S353 I527 I528 T534 R535 P550 L553 M554 E557S353-L531 WeakPolarHBondContact OG-CD2 3.36Å; I527-L531 HydrophobicContact CG2-CD1 3.66Å; I527-L531 HydrophobicContact CG2-CG 4.08Å; I527-L531 WeakPolarHBondContact O-CG 3.5Å; I527-L531 PolarHBondContact O-N 2.81Å; I528-L531 PolarHBondContact O-N 3.08Å; L531-T534 VanDerWaalsContact O-CB 3.31Å; L531-T534 WeakPolarHBondContact O-CB 3.41Å; L531-T534 PolarHBondContact O-N 2.92Å; L531-R535 WeakPolarHBondContact O-CB 3.24Å; L531-R535 PolarHBondContact O-N 3.44Å; L531-P550 HydrophobicContact CD2-CB 4.37Å; L531-L553 HydrophobicContact CD1-CB 3.58Å; L531-L553 HydrophobicContact CD2-CB 4.09Å; L531-L553 HydrophobicContact CD2-CD1 3.84Å; L531-M554 HydrophobicContact CB-CG 3.46Å; L531-M554 VanDerWaalsContact CB-CG 3.46Å; L531-M554 HydrophobicContact CB-SD 4.04Å; L531-M554 HydrophobicContact CD1-CG 3.91Å; L531-M554 HydrophobicContact CG-CG 4.35Å; L531-E557 HydrophobicContact CD1-CG 4.29Å
532E94.2Very high91Very high70 Ų7051.4 Ų51.433%0.32724%0.237SC..Hα-helixtrans-65.5-45.6174.4175.1152.9-119.900112I528 P529 T534 R535 L536 M554I528-E532 PolarHBondContact O-N 2.94Å; P529-E532 PolarHBondContact O-N 2.63Å; E532-T534 VanDerWaalsContact C-N 3.26Å; E532-T534 PolarHBondContact O-N 2.84Å; E532-R535 PolarHBondContact O-N 3.23Å; E532-R535 IonicContact OE1-CZ 3.34Å; E532-R535 IonicContact OE1-NH2 3.18Å; E532-R535 PolarHBondContact OE1-NH2 3.01Å; E532-L536 HydrophobicContact CG-CD1 3.72Å; E532-L536 HydrophobicContact CG-CG 4.14Å; E532-L536 WeakPolarHBondContact O-CB 3.37Å; E532-L536 VanDerWaalsContact O-CG 3.28Å; E532-L536 WeakPolarHBondContact O-CG 3.38Å; E532-L536 PolarHBondContact O-N 3Å; E532-M554 HydrophobicContact CB-CE 3.93Å; E532-M554 HydrophobicContact CB-SD 4.21Å
533Q93.3Very high90.6Very high62 Ų6249.2 Ų49.229%0.2923%0.229SC..Hα-helixtrans-58.9-40.8172.6-71.4-56.8-54.200111.1Y349 P529 L530 L536 Q537Y349-Q533 HydrophobicContact CD1-CB 4.11Å; Y349-Q533 HydrophobicContact CD2-CB 3.81Å; Y349-Q533 HydrophobicContact CE1-CB 4.37Å; Y349-Q533 HydrophobicContact CE2-CB 4.09Å; Y349-Q533 HydrophobicContact CG-CB 3.82Å; P529-Q533 WeakPolarHBondContact O-CG 3.34Å; P529-Q533 PolarHBondContact O-N 2.75Å; L530-Q533 PolarHBondContact O-N 3.19Å; Q533-L536 PolarHBondContact O-N 3.1Å; Q533-Q537 WeakPolarHBondContact O-CB 3.33Å; Q533-Q537 WeakPolarHBondContact O-CG 3.45Å; Q533-Q537 PolarHBondContact O-N 3.29Å
534T92.6Very high90.2Very high0 Ų052.6 Ų52.60%025%0.245CC..Hα-helixtrans-56.8-53.4174.7-57.80000111.6Y349 Q350 L530 L531 E532 L536 Q537 Y538 P550Y349-T534 VanDerWaalsContact CB-OG1 3.26Å; Y349-T534 WeakPolarHBondContact CB-OG1 3.39Å; Q350-T534 HydrophobicContact CB-CG2 3.75Å; Q350-T534 HydrophobicContact CG-CG2 4.39Å; Q350-T534 PolarHBondContact N-OG1 2.83Å; L530-T534 WeakPolarHBondContact O-CB 3.4Å; L530-T534 PolarHBondContact O-N 3.46Å; L530-T534 PolarHBondContact O-OG1 3.3Å; L531-T534 VanDerWaalsContact O-CB 3.31Å; L531-T534 WeakPolarHBondContact O-CB 3.41Å; L531-T534 PolarHBondContact O-N 2.92Å; E532-T534 VanDerWaalsContact C-N 3.26Å; E532-T534 PolarHBondContact O-N 2.84Å; T534-L536 PolarHBondContact O-N 3.03Å; T534-Q537 PolarHBondContact O-N 3.2Å; T534-Y538 HydrophobicContact CG2-CD2 3.73Å; T534-Y538 HydrophobicContact CG2-CE2 3.36Å; T534-Y538 WeakPolarHBondContact O-CD2 3.44Å; T534-Y538 PolarHBondContact O-N 3.5Å; T534-P550 HydrophobicContact CG2-CB 4.24Å; T534-P550 HydrophobicContact CG2-CG 3.62Å
535R91.9Very high89.9Confident70 Ų7058.3 Ų58.326%0.26427%0.265SS..Hα-helixtrans-57.2-46.8177.1-178.6-172.972.7101.9-5.2112.4L531 E532 Y538 R539 P550 C551L531-R535 WeakPolarHBondContact O-CB 3.24Å; L531-R535 PolarHBondContact O-N 3.44Å; E532-R535 PolarHBondContact O-N 3.23Å; E532-R535 IonicContact OE1-CZ 3.34Å; E532-R535 IonicContact OE1-NH2 3.18Å; E532-R535 PolarHBondContact OE1-NH2 3.01Å; R535-Y538 PolarHBondContact O-N 2.99Å; R535-R539 PolarHBondContact O-N 2.98Å; R535-P550 HydrophobicContact CB-CB 4.33Å; R535-C551 WeakPolarHBondContact CD-SG 3.33Å
536L91.7Very high89.6Confident51 Ų5159.6 Ų59.627%0.26727%0.266SS..Hα-helixtrans-65.1-38.9-180-72.7171.6000112.2E532 Q533 T534 R540E532-L536 HydrophobicContact CG-CD1 3.72Å; E532-L536 HydrophobicContact CG-CG 4.14Å; E532-L536 WeakPolarHBondContact O-CB 3.37Å; E532-L536 VanDerWaalsContact O-CG 3.28Å; E532-L536 WeakPolarHBondContact O-CG 3.38Å; E532-L536 PolarHBondContact O-N 3Å; Q533-L536 PolarHBondContact O-N 3.1Å; T534-L536 PolarHBondContact O-N 3.03Å; L536-R540 PolarHBondContact O-N 3.09Å; L536-R540 VanDerWaalsContact O-N 3.09Å
537Q90.2Very high89.6Confident8 Ų857.3 Ų57.34%0.03726%0.256CS..Hα-helixtrans-70-44.9175-63.9-68.7-20.400111.1Q330 P345 Y349 Q533 T534 R539 R540 Y541Q330-Q537 VanDerWaalsContact NE2-NE2 3.2Å; P345-Q537 HydrophobicContact CB-CG 4.22Å; Y349-Q537 HydrophobicContact CD2-CG 4.34Å; Y349-Q537 HydrophobicContact CE2-CG 4.39Å; Q533-Q537 WeakPolarHBondContact O-CB 3.33Å; Q533-Q537 WeakPolarHBondContact O-CG 3.45Å; Q533-Q537 PolarHBondContact O-N 3.29Å; T534-Q537 PolarHBondContact O-N 3.2Å; Q537-R539 VanDerWaalsContact C-N 3.31Å; Q537-R539 PolarHBondContact O-N 2.82Å; Q537-R540 WeakPolarHBondContact O-CA 3.43Å; Q537-R540 WeakPolarHBondContact O-CB 3.43Å; Q537-R540 PolarHBondContact O-N 3.44Å; Q537-Y541 HydrophobicContact CB-CE2 4.27Å; Q537-Y541 WeakPolarHBondContact O-CD2 3.47Å; Q537-Y541 PolarHBondContact O-N 3.13Å
538Y89.9Confident89.4Confident3 Ų357.3 Ų57.31%0.01226%0.256CS..Hα-helixtrans-59.5-40.4176.5-75.5-44.1000112.7H344 L347 Q350 T534 R535 R540 Y541 K542 A543 M546 P550H344-Y538 AromaticContact CE1-CD1 3.6Å; H344-Y538 AromaticContact CE1-CE1 3.36Å; H344-Y538 WeakPolarHBondContact CE1-CE1 3.06Å; H344-Y538 AromaticContact NE2-CD1 3.64Å; H344-Y538 AromaticContact NE2-CE1 3.61Å; L347-Y538 HydrophobicContact CD2-CE1 4.16Å; Q350-Y538 PolarHBondContact OE1-OH 3Å; T534-Y538 HydrophobicContact CG2-CD2 3.73Å; T534-Y538 HydrophobicContact CG2-CE2 3.36Å; T534-Y538 WeakPolarHBondContact O-CD2 3.44Å; T534-Y538 PolarHBondContact O-N 3.5Å; R535-Y538 PolarHBondContact O-N 2.99Å; Y538-R540 VanDerWaalsContact C-N 3.33Å; Y538-R540 PolarHBondContact O-N 3.46Å; Y538-Y541 CarbonylContact O-C 3.58Å; Y538-Y541 PolarHBondContact O-N 3.44Å; Y538-K542 PolarHBondContact O-N 2.92Å; Y538-K542 VanDerWaalsContact O-N 3.12Å; Y538-A543 HydrophobicContact CD1-CB 3.69Å; Y538-A543 HydrophobicContact CG-CB 4.21Å; Y538-A543 PolarHBondContact O-N 2.99Å; Y538-M546 HydrophobicContact CD1-CB 4.04Å; Y538-M546 HydrophobicContact CD1-CG 3.98Å; Y538-M546 HydrophobicContact CD2-CB 4.24Å; Y538-M546 HydrophobicContact CD2-CG 4.08Å; Y538-M546 WeakPolarHBondContact CD2-O 3.45Å; Y538-M546 HydrophobicContact CE1-CB 4.11Å; Y538-M546 HydrophobicContact CE1-CG 3.52Å; Y538-M546 HydrophobicContact CE2-CB 4.3Å; Y538-M546 HydrophobicContact CE2-CG 3.63Å; Y538-M546 HydrophobicContact CG-CB 4.13Å; Y538-M546 HydrophobicContact CG-CG 4.26Å; Y538-P550 HydrophobicContact CD2-CG 4.16Å; Y538-P550 HydrophobicContact CE2-CG 4.15Å
539R89.4Confident89.2Confident156 Ų15660.5 Ų60.559%0.58927%0.268SS*.Hα-helixtrans-61-38.9171.1-172.4178.266.8161.40.2112.5R535 Q537 Y541 K542R535-R539 PolarHBondContact O-N 2.98Å; Q537-R539 VanDerWaalsContact C-N 3.31Å; Q537-R539 PolarHBondContact O-N 2.82Å; R539-Y541 VanDerWaalsContact C-N 3.3Å; R539-Y541 PolarHBondContact O-N 3.42Å; R539-K542 PolarHBondContact O-N 3.43Å
540R87.5Confident89Confident144 Ų14457.3 Ų57.354%0.54325%0.248SC..Hα-helixtrans-63.9-33.6176.3-176.6178.3179.1176.3-0.5112.6L536 Q537 Y538L536-R540 PolarHBondContact O-N 3.09Å; L536-R540 VanDerWaalsContact O-N 3.09Å; Q537-R540 WeakPolarHBondContact O-CA 3.43Å; Q537-R540 WeakPolarHBondContact O-CB 3.43Å; Q537-R540 PolarHBondContact O-N 3.44Å; Y538-R540 VanDerWaalsContact C-N 3.33Å; Y538-R540 PolarHBondContact O-N 3.46Å
541Y84.5Confident88.8Confident18 Ų1857.1 Ų57.17%0.07125%0.247CC..THydrogen-bonded Turntrans-100.519.1179-55.6-67.8000113.8P339 M341 H344 Q537 Y538 R539 A543P339-Y541 HydrophobicContact CB-CE1 4.36Å; P339-Y541 HydrophobicContact CG-CE1 3.66Å; M341-Y541 WeakPolarHBondContact CE-O 3.45Å; H344-Y541 HydrophobicContact CB-CD2 3.7Å; H344-Y541 HydrophobicContact CB-CE1 4.38Å; H344-Y541 HydrophobicContact CB-CE2 3.47Å; H344-Y541 VanDerWaalsContact CB-CE2 3.47Å; H344-Y541 HydrophobicContact CB-CG 4.31Å; H344-Y541 AromaticContact CD2-CD2 3.36Å; H344-Y541 WeakPolarHBondContact CD2-CD2 3.41Å; H344-Y541 AromaticContact CD2-CG 3.68Å; H344-Y541 AromaticContact CG-CD2 3.46Å; H344-Y541 VanDerWaalsContact CG-CD2 3.46Å; H344-Y541 AromaticContact CG-CE2 3.71Å; H344-Y541 AromaticContact NE2-CD2 3.95Å; Q537-Y541 HydrophobicContact CB-CE2 4.27Å; Q537-Y541 WeakPolarHBondContact O-CD2 3.47Å; Q537-Y541 PolarHBondContact O-N 3.13Å; Y538-Y541 CarbonylContact O-C 3.58Å; Y538-Y541 PolarHBondContact O-N 3.44Å; R539-Y541 VanDerWaalsContact C-N 3.3Å; R539-Y541 PolarHBondContact O-N 3.42Å; Y541-A543 PolarHBondContact O-N 2.88Å; Y541-A543 VanDerWaalsContact O-N 3.08Å
542K84.6Confident88.6Confident173 Ų17358 Ų5875%0.75225%0.252SS*.THydrogen-bonded Turntrans5230.7178.1-55.2-174.6178.4-174.50114.2Y538 R539 E544Y538-K542 PolarHBondContact O-N 2.92Å; Y538-K542 VanDerWaalsContact O-N 3.12Å; R539-K542 PolarHBondContact O-N 3.43Å; K542-E544 WeakPolarHBondContact CA-OE1 3.32Å; K542-E544 PolarHBondContact O-N 3.46Å
543A82.2Confident88.5Confident29 Ų2957 Ų5724%0.2425%0.248CC..  trans-84.463.2-17800000109.9Y538 Y541 R545 M546 K547Y538-A543 HydrophobicContact CD1-CB 3.69Å; Y538-A543 HydrophobicContact CG-CB 4.21Å; Y538-A543 PolarHBondContact O-N 2.99Å; Y541-A543 PolarHBondContact O-N 2.88Å; Y541-A543 VanDerWaalsContact O-N 3.08Å; A543-R545 PolarHBondContact O-N 3.22Å; A543-M546 HydrophobicContact CB-CB 3.95Å; A543-M546 WeakPolarHBondContact O-CA 3.5Å; A543-M546 WeakPolarHBondContact O-CB 3.2Å; A543-M546 PolarHBondContact O-N 3.48Å; A543-K547 PolarHBondContact O-N 3.32Å; A543-K547 VanDerWaalsContact O-N 3.08Å
544E82.4Confident88.4Confident88 Ų8854.2 Ų54.241%0.41124%0.235SC..THydrogen-bonded Turntrans-58.3-48.4-159.1-64.5-50.8129.800114.4K542 M546 K547K542-E544 WeakPolarHBondContact CA-OE1 3.32Å; K542-E544 PolarHBondContact O-N 3.46Å; E544-M546 VanDerWaalsContact C-N 3.31Å; E544-M546 PolarHBondContact O-N 3.19Å; E544-K547 WeakPolarHBondContact O-CD 3.43Å; E544-K547 WeakPolarHBondContact O-CG 3.22Å; E544-K547 PolarHBondContact O-N 3.38Å; E544-K547 PolarHBondContact O-NZ 3.44Å; E544-K547 VanDerWaalsContact O-NZ 3.13Å; E544-K547 WeakPolarHBondContact OE2-CD 3.46Å; E544-K547 WeakPolarHBondContact OE2-CE 3.33Å; E544-K547 IonicContact OE2-NZ 3.49Å; E544-K547 PolarHBondContact OE2-NZ 3.4Å
545R85.2Confident88.3Confident129 Ų12954.2 Ų54.249%0.48724%0.235SC..G310 helixtrans-65.6-34174.5-176.4-177.6-89.4176-8.1112.3A543 K547 L548 E581A543-R545 PolarHBondContact O-N 3.22Å; R545-K547 VanDerWaalsContact C-N 3.28Å; R545-K547 PolarHBondContact O-N 3.03Å; R545-L548 WeakPolarHBondContact O-CB 3.27Å; R545-L548 PolarHBondContact O-N 2.85Å; R545-E581 IonicContact CZ-OE2 3.34Å; R545-E581 IonicContact NE-OE1 2.72Å; R545-E581 IonicContact NE-OE2 2.92Å; R545-E581 PolarHBondContact NE-OE2 3.39Å; R545-E581 IonicContact NH2-OE1 3.54Å; R545-E581 IonicContact NH2-OE2 3.55Å; R545-E581 PolarHBondContact NH2-OE2 2.89Å
546M83.6Confident88.2Confident80 Ų8052.1 Ų52.139%0.39423%0.231SC..G310 helixtrans-71.3-22.3-177.2-149.871171.800112.7P445 Y538 A543 E544 L548 P550P445-M546 HydrophobicContact CB-CE 4.14Å; Y538-M546 HydrophobicContact CD1-CB 4.04Å; Y538-M546 HydrophobicContact CD1-CG 3.98Å; Y538-M546 HydrophobicContact CD2-CB 4.24Å; Y538-M546 HydrophobicContact CD2-CG 4.08Å; Y538-M546 WeakPolarHBondContact CD2-O 3.45Å; Y538-M546 HydrophobicContact CE1-CB 4.11Å; Y538-M546 HydrophobicContact CE1-CG 3.52Å; Y538-M546 HydrophobicContact CE2-CB 4.3Å; Y538-M546 HydrophobicContact CE2-CG 3.63Å; Y538-M546 HydrophobicContact CG-CB 4.13Å; Y538-M546 HydrophobicContact CG-CG 4.26Å; A543-M546 HydrophobicContact CB-CB 3.95Å; A543-M546 WeakPolarHBondContact O-CA 3.5Å; A543-M546 WeakPolarHBondContact O-CB 3.2Å; A543-M546 PolarHBondContact O-N 3.48Å; E544-M546 VanDerWaalsContact C-N 3.31Å; E544-M546 PolarHBondContact O-N 3.19Å; M546-L548 VanDerWaalsContact C-N 3.29Å; M546-L548 PolarHBondContact O-N 3.38Å; M546-P550 WeakPolarHBondContact O-CD 3.35Å
547K87.6Confident88.2Confident28 Ų2850 Ų5012%0.12222%0.22CC..G310 helixtrans-69.5-24.717594.3-163.9173-98.80113.1A543 E544 R545 P550 C551 E577A543-K547 PolarHBondContact O-N 3.32Å; A543-K547 VanDerWaalsContact O-N 3.08Å; E544-K547 WeakPolarHBondContact O-CD 3.43Å; E544-K547 WeakPolarHBondContact O-CG 3.22Å; E544-K547 PolarHBondContact O-N 3.38Å; E544-K547 PolarHBondContact O-NZ 3.44Å; E544-K547 VanDerWaalsContact O-NZ 3.13Å; E544-K547 WeakPolarHBondContact OE2-CD 3.46Å; E544-K547 WeakPolarHBondContact OE2-CE 3.33Å; E544-K547 IonicContact OE2-NZ 3.49Å; E544-K547 PolarHBondContact OE2-NZ 3.4Å; R545-K547 VanDerWaalsContact C-N 3.28Å; R545-K547 PolarHBondContact O-N 3.03Å; K547-P550 WeakPolarHBondContact O-CD 3.41Å; K547-C551 PolarHBondContact O-N 2.98Å; K547-C551 PolarHBondContact O-SG 3.44Å; K547-C551 VanDerWaalsContact O-SG 3.39Å; K547-E577 WeakPolarHBondContact CE-OE1 3.03Å; K547-E577 IonicContact NZ-OE1 3.93Å; K547-E577 PolarHBondContact NZ-OE1 2.83Å; K547-E577 IonicContact NZ-OE2 2.91Å; K547-E577 PolarHBondContact NZ-OE2 3.26Å
548L89.9Confident88.3Confident2 Ų251.4 Ų51.41%0.0123%0.225CC..Hα-helixtrans-73.9-41.6-170.5-56.2-178.8000112.5R545 M546 C551 I552 V574 E577 Y578R545-L548 WeakPolarHBondContact O-CB 3.27Å; R545-L548 PolarHBondContact O-N 2.85Å; M546-L548 VanDerWaalsContact C-N 3.29Å; M546-L548 PolarHBondContact O-N 3.38Å; L548-C551 WeakPolarHBondContact O-CB 3.19Å; L548-C551 PolarHBondContact O-N 2.98Å; L548-C551 VanDerWaalsContact O-N 3.08Å; L548-I552 PolarHBondContact O-N 3.33Å; L548-V574 HydrophobicContact CB-CG1 4.01Å; L548-V574 HydrophobicContact CB-CG2 4.43Å; L548-V574 HydrophobicContact CD1-CG1 4.45Å; L548-V574 HydrophobicContact CD2-CB 4.41Å; L548-V574 HydrophobicContact CD2-CG1 4.11Å; L548-V574 HydrophobicContact CD2-CG2 4.06Å; L548-V574 HydrophobicContact CG-CG1 4.41Å; L548-E577 HydrophobicContact CD1-CB 3.83Å; L548-E577 HydrophobicContact CD2-CB 4.34Å; L548-Y578 HydrophobicContact CB-CE1 4.19Å; L548-Y578 HydrophobicContact CD1-CD1 4.12Å; L548-Y578 HydrophobicContact CD1-CE1 3.75Å
549Y88.6Confident88.3Confident80 Ų8052.9 Ų52.931%0.31423%0.231SC..Hα-helixtrans-60.5-47.1179.6170.7-96.4000112.6Q443 C551 I552 L553Q443-Y549 PolarHBondContact OE1-OH 3.31Å; Y549-C551 VanDerWaalsContact C-N 3.31Å; Y549-C551 PolarHBondContact O-N 3.2Å; Y549-I552 PolarHBondContact O-N 3.03Å; Y549-L553 HydrophobicContact CD1-CD1 4.11Å; Y549-L553 HydrophobicContact CE1-CD1 3.5Å; Y549-L553 HydrophobicContact CE1-CG 4.29Å; Y549-L553 HydrophobicContact CE2-CD1 4.36Å; Y549-L553 HydrophobicContact CE2-CG 4.42Å; Y549-L553 WeakPolarHBondContact O-CG 3.27Å; Y549-L553 PolarHBondContact O-N 3.19Å
550P89.7Confident88.1Confident0 Ų049.5 Ų49.50%022%0.224CC..Hα-helixtrans-57.2-36.5169.5-26.735.2000114.3L531 T534 R535 Y538 M546 K547 L553 M554L531-P550 HydrophobicContact CD2-CB 4.37Å; T534-P550 HydrophobicContact CG2-CB 4.24Å; T534-P550 HydrophobicContact CG2-CG 3.62Å; R535-P550 HydrophobicContact CB-CB 4.33Å; Y538-P550 HydrophobicContact CD2-CG 4.16Å; Y538-P550 HydrophobicContact CE2-CG 4.15Å; M546-P550 WeakPolarHBondContact O-CD 3.35Å; K547-P550 WeakPolarHBondContact O-CD 3.41Å; P550-L553 PolarHBondContact O-N 3.27Å; P550-M554 WeakPolarHBondContact O-CB 3.33Å; P550-M554 VanDerWaalsContact O-CG 3.27Å; P550-M554 WeakPolarHBondContact O-CG 3.2Å; P550-M554 PolarHBondContact O-N 3.03Å
551C91.1Very high88.1Confident8 Ų846.4 Ų46.45%0.05422%0.215CC..Hα-helixtrans-65.1-42.4175.2-69.10000112.6R535 K547 L548 Y549 M554 G555 C570 V574R535-C551 WeakPolarHBondContact CD-SG 3.33Å; K547-C551 PolarHBondContact O-N 2.98Å; K547-C551 PolarHBondContact O-SG 3.44Å; K547-C551 VanDerWaalsContact O-SG 3.39Å; L548-C551 WeakPolarHBondContact O-CB 3.19Å; L548-C551 PolarHBondContact O-N 2.98Å; L548-C551 VanDerWaalsContact O-N 3.08Å; Y549-C551 VanDerWaalsContact C-N 3.31Å; Y549-C551 PolarHBondContact O-N 3.2Å; C551-M554 PolarHBondContact O-N 3.43Å; C551-G555 PolarHBondContact O-N 3.15Å; C551-C570 WeakPolarHBondContact O-CB 3.4Å; C551-V574 HydrophobicContact CB-CG2 3.4Å
552I91.6Very high88.2Confident20 Ų2051.7 Ų51.710%0.10324%0.24CC..Hα-helixtrans-65.6-38.9176-63.4-58.8000111.3L548 Y549 G555 S556 Y571 V574 Y578 F589 T590L548-I552 PolarHBondContact O-N 3.33Å; Y549-I552 PolarHBondContact O-N 3.03Å; I552-G555 PolarHBondContact O-N 2.96Å; I552-S556 PolarHBondContact O-N 3.03Å; I552-S556 PolarHBondContact O-OG 3.15Å; I552-Y571 HydrophobicContact CD1-CD1 3.88Å; I552-Y571 HydrophobicContact CD1-CE1 4.45Å; I552-V574 HydrophobicContact CD1-CB 3.94Å; I552-V574 HydrophobicContact CD1-CG1 3.79Å; I552-V574 HydrophobicContact CD1-CG2 4.12Å; I552-V574 HydrophobicContact CG1-CG1 4.06Å; I552-V574 HydrophobicContact CG1-CG2 4.39Å; I552-Y578 HydrophobicContact CD1-CE2 4.11Å; I552-Y578 HydrophobicContact CG1-CE2 4.06Å; I552-F589 HydrophobicContact CG2-CE1 4.27Å; I552-T590 HydrophobicContact CD1-CG2 3.82Å
553L91.3Very high88.5Confident47 Ų4745.2 Ų45.225%0.24621%0.214CC..Hα-helixtrans-64.5-46.1172.8-67.9-176000112.1L531 Y549 P550 G555 S556 E557L531-L553 HydrophobicContact CD1-CB 3.58Å; L531-L553 HydrophobicContact CD2-CB 4.09Å; L531-L553 HydrophobicContact CD2-CD1 3.84Å; Y549-L553 HydrophobicContact CD1-CD1 4.11Å; Y549-L553 HydrophobicContact CE1-CD1 3.5Å; Y549-L553 HydrophobicContact CE1-CG 4.29Å; Y549-L553 HydrophobicContact CE2-CD1 4.36Å; Y549-L553 HydrophobicContact CE2-CG 4.42Å; Y549-L553 WeakPolarHBondContact O-CG 3.27Å; Y549-L553 PolarHBondContact O-N 3.19Å; P550-L553 PolarHBondContact O-N 3.27Å; L553-G555 VanDerWaalsContact C-N 3.31Å; L553-G555 PolarHBondContact O-N 3.43Å; L553-S556 WeakPolarHBondContact O-CA 3.22Å; L553-S556 WeakPolarHBondContact O-CB 3.46Å; L553-S556 PolarHBondContact O-N 2.94Å; L553-E557 WeakPolarHBondContact O-CG 3.48Å; L553-E557 PolarHBondContact O-N 3.24Å
554M90.7Very high88.8Confident5 Ų545.3 Ų45.33%0.02521%0.208CC..Hα-helixtrans-57.8-44.2174.2-74.1174.467.800111.4L531 E532 P550 C551 S556 E557 Y558L531-M554 HydrophobicContact CB-CG 3.46Å; L531-M554 VanDerWaalsContact CB-CG 3.46Å; L531-M554 HydrophobicContact CB-SD 4.04Å; L531-M554 HydrophobicContact CD1-CG 3.91Å; L531-M554 HydrophobicContact CG-CG 4.35Å; E532-M554 HydrophobicContact CB-CE 3.93Å; E532-M554 HydrophobicContact CB-SD 4.21Å; P550-M554 WeakPolarHBondContact O-CB 3.33Å; P550-M554 VanDerWaalsContact O-CG 3.27Å; P550-M554 WeakPolarHBondContact O-CG 3.2Å; P550-M554 PolarHBondContact O-N 3.03Å; C551-M554 PolarHBondContact O-N 3.43Å; M554-S556 PolarHBondContact O-N 3.06Å; M554-E557 PolarHBondContact O-N 2.89Å; M554-Y558 HydrophobicContact CB-CD2 4.39Å; M554-Y558 HydrophobicContact CB-CE2 4.38Å; M554-Y558 HydrophobicContact CE-CE2 4.09Å; M554-Y558 WeakPolarHBondContact O-CB 3.47Å; M554-Y558 WeakPolarHBondContact O-CD2 3.36Å; M554-Y558 PolarHBondContact O-N 2.61Å
555G90.5Very high89.2Confident0 Ų045 Ų450%021%0.21CC..Hα-helixtrans-61.8-29.4176.200000113.3C551 I552 L553 Y559 A567 Y571C551-G555 PolarHBondContact O-N 3.15Å; I552-G555 PolarHBondContact O-N 2.96Å; L553-G555 VanDerWaalsContact C-N 3.31Å; L553-G555 PolarHBondContact O-N 3.43Å; G555-Y559 WeakPolarHBondContact O-CB 3.37Å; G555-Y559 PolarHBondContact O-N 3.13Å; G555-A567 WeakPolarHBondContact O-CB 3.46Å; G555-Y571 VanDerWaalsContact C-CZ 3.43Å; G555-Y571 PolarHBondContact O-OH 3.28Å
556S90.7Very high89.5Confident25 Ų2542.7 Ų42.718%0.17520%0.203CC..Hα-helixtrans-75.7-47.7174.4-55.10000111.4I552 L553 M554 Y558 Y559 D560 Y571I552-S556 PolarHBondContact O-N 3.03Å; I552-S556 PolarHBondContact O-OG 3.15Å; L553-S556 WeakPolarHBondContact O-CA 3.22Å; L553-S556 WeakPolarHBondContact O-CB 3.46Å; L553-S556 PolarHBondContact O-N 2.94Å; M554-S556 PolarHBondContact O-N 3.06Å; S556-Y558 VanDerWaalsContact C-N 3.32Å; S556-Y558 PolarHBondContact O-N 3.43Å; S556-Y559 WeakPolarHBondContact O-CB 3.44Å; S556-Y559 PolarHBondContact O-N 2.77Å; S556-Y559 VanDerWaalsContact O-N 3.11Å; S556-D560 VanDerWaalsContact O-CG 3.25Å; S556-D560 PolarHBondContact O-N 3.26Å; S556-Y571 WeakPolarHBondContact CA-OH 3.42Å; S556-Y571 PolarHBondContact N-OH 2.88Å
557E91.1Very high89.9Confident7 Ų738.9 Ų38.93%0.03318%0.184CC..Hα-helixtrans-63.3-33.8177.1-63.1-68.8144.400113.1R360 S524 I527 I528 L531 L553 M554 K561R360-E557 IonicContact CZ-OE1 2.62Å; R360-E557 VanDerWaalsContact CZ-OE1 3.3Å; R360-E557 IonicContact CZ-OE2 2.74Å; R360-E557 IonicContact NH1-OE1 3.31Å; R360-E557 IonicContact NH1-OE2 2.74Å; R360-E557 PolarHBondContact NH1-OE2 3.34Å; R360-E557 IonicContact NH2-OE1 3.67Å; R360-E557 PolarHBondContact NH2-OE1 2.98Å; R360-E557 IonicContact NH2-OE2 3.78Å; S524-E557 WeakPolarHBondContact CB-OE2 3.17Å; S524-E557 PolarHBondContact OG-OE2 3.42Å; I527-E557 HydrophobicContact CB-CG 4.37Å; I527-E557 WeakPolarHBondContact CD1-OE2 3.35Å; I527-E557 HydrophobicContact CG2-CG 3.75Å; I528-E557 HydrophobicContact CD1-CB 3.87Å; I528-E557 HydrophobicContact CG1-CB 3.57Å; I528-E557 HydrophobicContact CG1-CG 4.34Å; L531-E557 HydrophobicContact CD1-CG 4.29Å; L553-E557 WeakPolarHBondContact O-CG 3.48Å; L553-E557 PolarHBondContact O-N 3.24Å; M554-E557 PolarHBondContact O-N 2.89Å; E557-K561 WeakPolarHBondContact O-CG 3.43Å; E557-K561 PolarHBondContact O-N 3.47Å
558Y91.9Very high90.2Very high38 Ų3837.7 Ų37.715%0.14918%0.179CC..Hα-helixtrans-70.4-38.6171.6-78-58.5000112.2I528 M554 S556 K561 Q562 D563 K566I528-Y558 HydrophobicContact CD1-CD1 3.93Å; I528-Y558 HydrophobicContact CD1-CE1 3.93Å; I528-Y558 HydrophobicContact CD1-CG 4.36Å; I528-Y558 HydrophobicContact CG2-CE1 4.16Å; I528-Y558 HydrophobicContact CG2-CE2 4.13Å; I528-Y558 WeakPolarHBondContact CG2-OH 3.49Å; M554-Y558 HydrophobicContact CB-CD2 4.39Å; M554-Y558 HydrophobicContact CB-CE2 4.38Å; M554-Y558 HydrophobicContact CE-CE2 4.09Å; M554-Y558 WeakPolarHBondContact O-CB 3.47Å; M554-Y558 WeakPolarHBondContact O-CD2 3.36Å; M554-Y558 PolarHBondContact O-N 2.61Å; S556-Y558 VanDerWaalsContact C-N 3.32Å; S556-Y558 PolarHBondContact O-N 3.43Å; Y558-K561 CarbonylContact O-C 3.57Å; Y558-K561 WeakPolarHBondContact O-CB 3.42Å; Y558-K561 PolarHBondContact O-N 3.23Å; Y558-Q562 PolarHBondContact O-N 2.75Å; Y558-D563 HydrophobicContact CD1-CB 3.9Å; Y558-D563 WeakPolarHBondContact O-CA 3.45Å; Y558-D563 WeakPolarHBondContact O-CB 3.39Å; Y558-D563 PolarHBondContact O-N 2.74Å; Y558-K566 HydrophobicContact CD1-CB 3.8Å; Y558-K566 HydrophobicContact CD1-CD 4.17Å; Y558-K566 HydrophobicContact CD2-CB 3.74Å; Y558-K566 HydrophobicContact CE1-CB 3.89Å; Y558-K566 HydrophobicContact CE1-CD 3.64Å; Y558-K566 HydrophobicContact CE1-CG 4.36Å; Y558-K566 HydrophobicContact CE2-CB 3.84Å; Y558-K566 HydrophobicContact CG-CB 3.73Å
559Y89.5Confident90.4Very high33 Ų3341.3 Ų41.313%0.12921%0.205CC..Hα-helixtrans-62.7-45.2174-176.6-79.6000111.9G555 S556 K561 Q562 Y564 R593 T596 L600G555-Y559 WeakPolarHBondContact O-CB 3.37Å; G555-Y559 PolarHBondContact O-N 3.13Å; S556-Y559 WeakPolarHBondContact O-CB 3.44Å; S556-Y559 PolarHBondContact O-N 2.77Å; S556-Y559 VanDerWaalsContact O-N 3.11Å; Y559-K561 PolarHBondContact O-N 3.13Å; Y559-Q562 PolarHBondContact O-N 3.28Å; Y559-Y564 AromaticContact CD2-CD1 3.89Å; Y559-Y564 HydrophobicContact CD2-CD1 3.89Å; Y559-Y564 AromaticContact CD2-CE1 3.85Å; Y559-Y564 HydrophobicContact CD2-CE1 3.85Å; Y559-Y564 HydrophobicContact CE2-CD1 4.2Å; Y559-Y564 AromaticContact CE2-CE1 3.91Å; Y559-Y564 HydrophobicContact CE2-CE1 3.91Å; Y559-Y564 HydrophobicContact CG-CD1 4.46Å; Y559-Y564 HydrophobicContact CG-CE1 4.21Å; Y559-R593 VanDerWaalsContact CD1-NH1 3.29Å; Y559-R593 VanDerWaalsContact CZ-NH1 3.27Å; Y559-T596 HydrophobicContact CE2-CG2 3.81Å; Y559-L600 HydrophobicContact CE2-CD1 4.23Å
560D86.3Confident90.6Very high85 Ų8538.3 Ų38.346%0.45520%0.195SC..Hα-helixtrans-59.1-29.9176.3-64.3-2.8000111.5R360 S556 Q562R360-D560 IonicContact CZ-OD2 3.08Å; R360-D560 IonicContact NH1-OD2 3.09Å; R360-D560 PolarHBondContact NH1-OD2 2.76Å; R360-D560 IonicContact NH2-OD2 3.28Å; R360-D560 PolarHBondContact NH2-OD2 3.13Å; S556-D560 VanDerWaalsContact O-CG 3.25Å; S556-D560 PolarHBondContact O-N 3.26Å; D560-Q562 VanDerWaalsContact C-N 3.35Å
561K86.5Confident90.8Very high79 Ų7938.3 Ų38.334%0.34320%0.195SC..THydrogen-bonded Turntrans-83.50174.4-80-173.7170.4-121.10115.1D522 I528 E557 Y558 Y559 D563D522-K561 VanDerWaalsContact CG-NZ 3.3Å; D522-K561 VanDerWaalsContact OD1-CE 3.22Å; D522-K561 WeakPolarHBondContact OD1-CE 3.27Å; D522-K561 IonicContact OD1-NZ 3.74Å; D522-K561 PolarHBondContact OD1-NZ 2.68Å; D522-K561 IonicContact OD2-NZ 2.71Å; D522-K561 PolarHBondContact OD2-NZ 2.84Å; I528-K561 HydrophobicContact CD1-CD 3.85Å; E557-K561 WeakPolarHBondContact O-CG 3.43Å; E557-K561 PolarHBondContact O-N 3.47Å; Y558-K561 CarbonylContact O-C 3.57Å; Y558-K561 WeakPolarHBondContact O-CB 3.42Å; Y558-K561 PolarHBondContact O-N 3.23Å; Y559-K561 PolarHBondContact O-N 3.13Å; K561-D563 HydrophobicContact CB-CB 4.29Å; K561-D563 PolarHBondContact O-N 3.47Å
562Q87.8Confident90.9Very high129 Ų12941.1 Ų41.160%0.60321%0.209SC*.THydrogen-bonded Turntrans61.817.5-171.8-48.6178.2-7.300113.7Y558 Y559 D560 Y564Y558-Q562 PolarHBondContact O-N 2.75Å; Y559-Q562 PolarHBondContact O-N 3.28Å; D560-Q562 VanDerWaalsContact C-N 3.35Å; Q562-Y564 VanDerWaalsContact C-N 3.27Å; Q562-Y564 HydrophobicContact CB-CE2 3.99Å; Q562-Y564 WeakPolarHBondContact O-CD2 3.49Å; Q562-Y564 PolarHBondContact O-N 3.46Å; Q562-Y564 VanDerWaalsContact O-N 3.12Å
563D89.6Confident90.8Very high38 Ų3843.2 Ų43.220%0.20323%0.226CC..  trans-88.166.4176.9-169.6-41.9000109Y558 K561 D565 K566 A567Y558-D563 HydrophobicContact CD1-CB 3.9Å; Y558-D563 WeakPolarHBondContact O-CA 3.45Å; Y558-D563 WeakPolarHBondContact O-CB 3.39Å; Y558-D563 PolarHBondContact O-N 2.74Å; K561-D563 HydrophobicContact CB-CB 4.29Å; K561-D563 PolarHBondContact O-N 3.47Å; D563-D565 VanDerWaalsContact C-N 3.29Å; D563-D565 PolarHBondContact O-N 3.39Å; D563-K566 PolarHBondContact O-N 3.23Å; D563-K566 VanDerWaalsContact OD1-CB 3.24Å; D563-K566 WeakPolarHBondContact OD1-CB 3.44Å; D563-K566 VanDerWaalsContact OD1-CD 3.26Å; D563-K566 WeakPolarHBondContact OD1-CD 3.39Å; D563-K566 WeakPolarHBondContact OD1-CE 3.27Å; D563-K566 WeakPolarHBondContact OD1-CG 3.12Å; D563-K566 PolarHBondContact OD1-N 2.99Å; D563-K566 IonicContact OD1-NZ 2.67Å; D563-K566 PolarHBondContact OD1-NZ 3.34Å; D563-K566 WeakPolarHBondContact OD2-CD 3.23Å; D563-K566 WeakPolarHBondContact OD2-CE 3.41Å; D563-K566 IonicContact OD2-NZ 3.76Å; D563-K566 PolarHBondContact OD2-NZ 3.08Å; D563-A567 WeakPolarHBondContact O-CB 3.39Å; D563-A567 PolarHBondContact O-N 2.99Å; D563-A567 VanDerWaalsContact O-N 3.08Å
564Y89.6Confident90.8Very high31 Ų3141 Ų4112%0.12221%0.214CC..Hα-helixtrans-67.4-27.9-168.4-56.5-57.8000112.9Y559 Q562 A567 L568 L600 I601Y559-Y564 AromaticContact CD2-CD1 3.89Å; Y559-Y564 HydrophobicContact CD2-CD1 3.89Å; Y559-Y564 AromaticContact CD2-CE1 3.85Å; Y559-Y564 HydrophobicContact CD2-CE1 3.85Å; Y559-Y564 HydrophobicContact CE2-CD1 4.2Å; Y559-Y564 AromaticContact CE2-CE1 3.91Å; Y559-Y564 HydrophobicContact CE2-CE1 3.91Å; Y559-Y564 HydrophobicContact CG-CD1 4.46Å; Y559-Y564 HydrophobicContact CG-CE1 4.21Å; Q562-Y564 VanDerWaalsContact C-N 3.27Å; Q562-Y564 HydrophobicContact CB-CE2 3.99Å; Q562-Y564 WeakPolarHBondContact O-CD2 3.49Å; Q562-Y564 PolarHBondContact O-N 3.46Å; Q562-Y564 VanDerWaalsContact O-N 3.12Å; Y564-A567 PolarHBondContact O-N 2.9Å; Y564-L568 VanDerWaalsContact O-CB 3.3Å; Y564-L568 WeakPolarHBondContact O-CB 3.45Å; Y564-L568 PolarHBondContact O-N 3.38Å; Y564-L600 HydrophobicContact CD1-CD1 3.92Å; Y564-L600 HydrophobicContact CD2-CB 3.89Å; Y564-L600 HydrophobicContact CD2-CD1 4.27Å; Y564-L600 HydrophobicContact CE1-CD1 3.6Å; Y564-L600 HydrophobicContact CE2-CB 4.15Å; Y564-L600 HydrophobicContact CE2-CD1 3.97Å; Y564-L600 HydrophobicContact CG-CB 4.17Å; Y564-L600 HydrophobicContact CG-CD1 4.25Å; Y564-I601 WeakPolarHBondContact O-CD1 3.46Å
565D90.8Very high90.8Very high82 Ų8240.9 Ų40.944%0.43921%0.214SC..Hα-helixtrans-66.1-43.4178.759.1-74.2000112.6D563 S569D563-D565 VanDerWaalsContact C-N 3.29Å; D563-D565 PolarHBondContact O-N 3.39Å; D565-S569 WeakPolarHBondContact O-CB 3.22Å; D565-S569 PolarHBondContact O-N 3.44Å; D565-S569 VanDerWaalsContact O-N 3.09Å; D565-S569 PolarHBondContact O-OG 2.84Å
566K91.7Very high90.6Very high79 Ų7945.5 Ų45.534%0.34324%0.238SC..Hα-helixtrans-76.1-32174.9-65.5162.9-144.1630110.9Y558 D563 S569 C570Y558-K566 HydrophobicContact CD1-CB 3.8Å; Y558-K566 HydrophobicContact CD1-CD 4.17Å; Y558-K566 HydrophobicContact CD2-CB 3.74Å; Y558-K566 HydrophobicContact CE1-CB 3.89Å; Y558-K566 HydrophobicContact CE1-CD 3.64Å; Y558-K566 HydrophobicContact CE1-CG 4.36Å; Y558-K566 HydrophobicContact CE2-CB 3.84Å; Y558-K566 HydrophobicContact CG-CB 3.73Å; D563-K566 PolarHBondContact O-N 3.23Å; D563-K566 VanDerWaalsContact OD1-CB 3.24Å; D563-K566 WeakPolarHBondContact OD1-CB 3.44Å; D563-K566 VanDerWaalsContact OD1-CD 3.26Å; D563-K566 WeakPolarHBondContact OD1-CD 3.39Å; D563-K566 WeakPolarHBondContact OD1-CE 3.27Å; D563-K566 WeakPolarHBondContact OD1-CG 3.12Å; D563-K566 PolarHBondContact OD1-N 2.99Å; D563-K566 IonicContact OD1-NZ 2.67Å; D563-K566 PolarHBondContact OD1-NZ 3.34Å; D563-K566 WeakPolarHBondContact OD2-CD 3.23Å; D563-K566 WeakPolarHBondContact OD2-CE 3.41Å; D563-K566 IonicContact OD2-NZ 3.76Å; D563-K566 PolarHBondContact OD2-NZ 3.08Å; K566-S569 PolarHBondContact O-N 2.92Å; K566-C570 PolarHBondContact O-N 2.9Å; K566-C570 PolarHBondContact O-SG 3.27Å
567A92.3Very high90.5Very high0 Ų046.9 Ų46.90%024%0.242CC..Hα-helixtrans-58.6-54.5172.200000111.6G555 D563 Y564 S569 C570 Y571G555-A567 WeakPolarHBondContact O-CB 3.46Å; D563-A567 WeakPolarHBondContact O-CB 3.39Å; D563-A567 PolarHBondContact O-N 2.99Å; D563-A567 VanDerWaalsContact O-N 3.08Å; Y564-A567 PolarHBondContact O-N 2.9Å; A567-S569 VanDerWaalsContact C-N 3.34Å; A567-S569 PolarHBondContact O-N 2.83Å; A567-C570 WeakPolarHBondContact O-CB 3.38Å; A567-C570 PolarHBondContact O-N 2.86Å; A567-C570 VanDerWaalsContact O-N 3.12Å; A567-Y571 HydrophobicContact CB-CE2 4.08Å; A567-Y571 WeakPolarHBondContact O-CD2 3.48Å; A567-Y571 PolarHBondContact O-N 2.9Å
568L93.1Very high90.3Very high4 Ų447 Ų472%0.02124%0.242CC..Hα-helixtrans-57.2-45.9177.3-178.557.5000111.6Y564 C570 Y571 L572 I594 C597 I601 V606Y564-L568 VanDerWaalsContact O-CB 3.3Å; Y564-L568 WeakPolarHBondContact O-CB 3.45Å; Y564-L568 PolarHBondContact O-N 3.38Å; L568-C570 VanDerWaalsContact C-N 3.29Å; L568-C570 PolarHBondContact O-N 2.84Å; L568-Y571 PolarHBondContact O-N 2.85Å; L568-L572 HydrophobicContact CD1-CD1 3.89Å; L568-L572 HydrophobicContact CD1-CG 3.91Å; L568-L572 HydrophobicContact CD2-CD1 4.48Å; L568-L572 HydrophobicContact CG-CD1 3.79Å; L568-L572 HydrophobicContact CG-CG 4.26Å; L568-L572 WeakPolarHBondContact O-CB 3.23Å; L568-L572 WeakPolarHBondContact O-CG 3.19Å; L568-L572 PolarHBondContact O-N 2.62Å; L568-I594 HydrophobicContact CD1-CB 4.26Å; L568-I594 HydrophobicContact CD1-CG1 4.26Å; L568-I594 HydrophobicContact CD1-CG2 3.87Å; L568-C597 HydrophobicContact CB-CB 3.84Å; L568-C597 HydrophobicContact CD1-CB 4.16Å; L568-C597 HydrophobicContact CG-CB 4.46Å; L568-I601 HydrophobicContact CB-CD1 4.04Å; L568-I601 HydrophobicContact CD2-CD1 3.72Å; L568-V606 HydrophobicContact CD1-CG1 4.15Å; L568-V606 HydrophobicContact CD2-CG1 4.44Å
569S93.5Very high90Very high78 Ų7847.4 Ų47.455%0.54524%0.243SC..Hα-helixtrans-58.6-39.3176.9-60.20000112.6D565 K566 A567 S573D565-S569 WeakPolarHBondContact O-CB 3.22Å; D565-S569 PolarHBondContact O-N 3.44Å; D565-S569 VanDerWaalsContact O-N 3.09Å; D565-S569 PolarHBondContact O-OG 2.84Å; K566-S569 PolarHBondContact O-N 2.92Å; A567-S569 VanDerWaalsContact C-N 3.34Å; A567-S569 PolarHBondContact O-N 2.83Å; S569-S573 PolarHBondContact O-N 3.19Å
570C92.7Very high89.7Confident17 Ų1750 Ų5012%0.11527%0.267CS..Hα-helixtrans-66-48.3175.5-69.30000111.6C551 K566 A567 L568 S573C551-C570 WeakPolarHBondContact O-CB 3.4Å; K566-C570 PolarHBondContact O-N 2.9Å; K566-C570 PolarHBondContact O-SG 3.27Å; A567-C570 WeakPolarHBondContact O-CB 3.38Å; A567-C570 PolarHBondContact O-N 2.86Å; A567-C570 VanDerWaalsContact O-N 3.12Å; L568-C570 VanDerWaalsContact C-N 3.29Å; L568-C570 PolarHBondContact O-N 2.84Å; C570-S573 PolarHBondContact O-N 3.5Å; C570-S573 PolarHBondContact O-OG 2.97Å
571Y94.2Very high89.6Confident0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-65.9-42.6-179.4-59.9-59.3000112.8I552 G555 S556 A567 L568 S573 V574 I575 T590 R593 I594I552-Y571 HydrophobicContact CD1-CD1 3.88Å; I552-Y571 HydrophobicContact CD1-CE1 4.45Å; G555-Y571 VanDerWaalsContact C-CZ 3.43Å; G555-Y571 PolarHBondContact O-OH 3.28Å; S556-Y571 WeakPolarHBondContact CA-OH 3.42Å; S556-Y571 PolarHBondContact N-OH 2.88Å; A567-Y571 HydrophobicContact CB-CE2 4.08Å; A567-Y571 WeakPolarHBondContact O-CD2 3.48Å; A567-Y571 PolarHBondContact O-N 2.9Å; L568-Y571 PolarHBondContact O-N 2.85Å; Y571-S573 PolarHBondContact O-N 3.24Å; Y571-V574 PolarHBondContact O-N 2.92Å; Y571-I575 PolarHBondContact O-N 2.84Å; Y571-T590 HydrophobicContact CD1-CG2 4.1Å; Y571-T590 HydrophobicContact CG-CG2 4.4Å; Y571-R593 HydrophobicContact CD1-CB 4.34Å; Y571-R593 HydrophobicContact CD2-CB 4.09Å; Y571-R593 HydrophobicContact CE1-CB 4.03Å; Y571-R593 HydrophobicContact CE1-CG 4.38Å; Y571-R593 HydrophobicContact CE2-CB 3.78Å; Y571-R593 HydrophobicContact CG-CB 4.37Å; Y571-R593 PolarHBondContact OH-NE 3.04Å; Y571-R593 PolarHBondContact OH-NH2 3.27Å; Y571-I594 HydrophobicContact CG-CG1 4.43Å
572L93.1Very high89.4Confident67 Ų6751.8 Ų51.835%0.35127%0.271SS..Hα-helixtrans-61.5-29.5176.1-72.2174.7000112.6L568 V574 I594 V606L568-L572 HydrophobicContact CD1-CD1 3.89Å; L568-L572 HydrophobicContact CD1-CG 3.91Å; L568-L572 HydrophobicContact CD2-CD1 4.48Å; L568-L572 HydrophobicContact CG-CD1 3.79Å; L568-L572 HydrophobicContact CG-CG 4.26Å; L568-L572 WeakPolarHBondContact O-CB 3.23Å; L568-L572 WeakPolarHBondContact O-CG 3.19Å; L568-L572 PolarHBondContact O-N 2.62Å; L572-V574 PolarHBondContact O-N 2.69Å; L572-I594 HydrophobicContact CD2-CD1 4.06Å; L572-I594 HydrophobicContact CD2-CG1 4.35Å; L572-I594 HydrophobicContact CD2-CG2 4.11Å; L572-V606 HydrophobicContact CD2-CG1 4.39Å
573S91Very high89.2Confident63 Ų6350.3 Ų50.344%0.44126%0.26SS..Hα-helixtrans-69.8-15.8174.6800000114.2S569 C570 Y571S569-S573 PolarHBondContact O-N 3.19Å; C570-S573 PolarHBondContact O-N 3.5Å; C570-S573 PolarHBondContact O-OG 2.97Å; Y571-S573 PolarHBondContact O-N 3.24Å
574V90.9Very high88.9Confident0 Ų051.9 Ų51.90%026%0.263CS..Hα-helixtrans-110.8-36-174.71770000112.9L548 C551 I552 Y571 L572 N576 E577 Y578L548-V574 HydrophobicContact CB-CG1 4.01Å; L548-V574 HydrophobicContact CB-CG2 4.43Å; L548-V574 HydrophobicContact CD1-CG1 4.45Å; L548-V574 HydrophobicContact CD2-CB 4.41Å; L548-V574 HydrophobicContact CD2-CG1 4.11Å; L548-V574 HydrophobicContact CD2-CG2 4.06Å; L548-V574 HydrophobicContact CG-CG1 4.41Å; C551-V574 HydrophobicContact CB-CG2 3.4Å; I552-V574 HydrophobicContact CD1-CB 3.94Å; I552-V574 HydrophobicContact CD1-CG1 3.79Å; I552-V574 HydrophobicContact CD1-CG2 4.12Å; I552-V574 HydrophobicContact CG1-CG1 4.06Å; I552-V574 HydrophobicContact CG1-CG2 4.39Å; Y571-V574 PolarHBondContact O-N 2.92Å; L572-V574 PolarHBondContact O-N 2.69Å; V574-N576 PolarHBondContact O-N 3.44Å; V574-E577 PolarHBondContact O-N 3.19Å; V574-Y578 HydrophobicContact CG1-CD1 4.22Å; V574-Y578 HydrophobicContact CG1-CD2 3.69Å; V574-Y578 HydrophobicContact CG1-CE1 3.93Å; V574-Y578 HydrophobicContact CG1-CE2 3.35Å; V574-Y578 HydrophobicContact CG1-CG 4.11Å; V574-Y578 VanDerWaalsContact CG1-CZ 3.47Å; V574-Y578 PolarHBondContact O-N 3.27Å
575I90Very high88.6Confident4 Ų453 Ų532%0.02128%0.276CS..Hα-helixtrans-54.8-35-170.3-169.364.5000113.6Y571 E577 Y578 R579 Y587 T590 L591 I594Y571-I575 PolarHBondContact O-N 2.84Å; I575-E577 PolarHBondContact O-N 3.34Å; I575-Y578 PolarHBondContact O-N 2.91Å; I575-R579 WeakPolarHBondContact O-CB 3.19Å; I575-R579 PolarHBondContact O-N 2.74Å; I575-Y587 HydrophobicContact CD1-CD2 3.6Å; I575-Y587 HydrophobicContact CD1-CE2 4.19Å; I575-Y587 HydrophobicContact CD1-CG 4.25Å; I575-Y587 HydrophobicContact CG1-CD2 4.35Å; I575-T590 HydrophobicContact CB-CG2 4.29Å; I575-T590 HydrophobicContact CD1-CG2 4.04Å; I575-L591 HydrophobicContact CD1-CB 4.06Å; I575-L591 HydrophobicContact CD1-CD1 4.21Å; I575-L591 HydrophobicContact CG1-CD1 4.17Å; I575-I594 HydrophobicContact CB-CD1 3.74Å; I575-I594 HydrophobicContact CD1-CD1 4.34Å; I575-I594 HydrophobicContact CG1-CD1 3.93Å; I575-I594 HydrophobicContact CG2-CD1 3.9Å
576N87Confident88.3Confident96 Ų9652.3 Ų52.351%0.51327%0.272SS..Hα-helixtrans-64.9-38.2178.1-65.5-32.3000112.7V574 R579 S580V574-N576 PolarHBondContact O-N 3.44Å; N576-R579 PolarHBondContact OD1-NH1 3.2Å; N576-S580 WeakPolarHBondContact O-CB 3.17Å; N576-S580 PolarHBondContact O-N 2.54Å; N576-S580 PolarHBondContact O-OG 3.21Å
577E87.6Confident88.2Confident55 Ų5548.5 Ų48.526%0.25726%0.255SS..Hα-helixtrans-71.9-45178.6-69.3-175.2-13800110.2K547 L548 V574 I575 R579 S580 E581K547-E577 WeakPolarHBondContact CE-OE1 3.03Å; K547-E577 IonicContact NZ-OE1 3.93Å; K547-E577 PolarHBondContact NZ-OE1 2.83Å; K547-E577 IonicContact NZ-OE2 2.91Å; K547-E577 PolarHBondContact NZ-OE2 3.26Å; L548-E577 HydrophobicContact CD1-CB 3.83Å; L548-E577 HydrophobicContact CD2-CB 4.34Å; V574-E577 PolarHBondContact O-N 3.19Å; I575-E577 PolarHBondContact O-N 3.34Å; E577-R579 VanDerWaalsContact C-N 3.34Å; E577-R579 PolarHBondContact O-N 3.27Å; E577-S580 PolarHBondContact O-N 2.68Å; E577-S580 VanDerWaalsContact O-N 3.1Å; E577-S580 PolarHBondContact O-OG 2.71Å; E577-E581 PolarHBondContact O-N 2.92Å
578Y86.9Confident88Confident10 Ų1049.2 Ų49.24%0.03926%0.259CS..Hα-helixtrans-62-36.2173.8-66.8-18.7000113.5L548 I552 V574 I575 K582 W583 L586L548-Y578 HydrophobicContact CB-CE1 4.19Å; L548-Y578 HydrophobicContact CD1-CD1 4.12Å; L548-Y578 HydrophobicContact CD1-CE1 3.75Å; I552-Y578 HydrophobicContact CD1-CE2 4.11Å; I552-Y578 HydrophobicContact CG1-CE2 4.06Å; V574-Y578 HydrophobicContact CG1-CD1 4.22Å; V574-Y578 HydrophobicContact CG1-CD2 3.69Å; V574-Y578 HydrophobicContact CG1-CE1 3.93Å; V574-Y578 HydrophobicContact CG1-CE2 3.35Å; V574-Y578 HydrophobicContact CG1-CG 4.11Å; V574-Y578 VanDerWaalsContact CG1-CZ 3.47Å; V574-Y578 PolarHBondContact O-N 3.27Å; I575-Y578 PolarHBondContact O-N 2.91Å; Y578-K582 PolarHBondContact O-N 2.88Å; Y578-K582 VanDerWaalsContact O-N 3.15Å; Y578-W583 HydrophobicContact CD1-CB 4.43Å; Y578-W583 HydrophobicContact CD1-CE3 4.35Å; Y578-W583 HydrophobicContact CE1-CE3 4.2Å; Y578-W583 PolarHBondContact O-N 2.92Å; Y578-L586 HydrophobicContact CD2-CB 3.86Å; Y578-L586 HydrophobicContact CE1-CD1 4.33Å; Y578-L586 HydrophobicContact CE2-CB 3.74Å; Y578-L586 HydrophobicContact CE2-CD1 4.21Å; Y578-L586 HydrophobicContact CG-CB 4.43Å
579R85.5Confident87.9Confident46 Ų4654 Ų5417%0.17428%0.28CS..Hα-helixtrans-62.5-43.1172.3-167.5-170.9-63106.4-1.7111.1I575 N576 E577 K582 Y587 E613I575-R579 WeakPolarHBondContact O-CB 3.19Å; I575-R579 PolarHBondContact O-N 2.74Å; N576-R579 PolarHBondContact OD1-NH1 3.2Å; E577-R579 VanDerWaalsContact C-N 3.34Å; E577-R579 PolarHBondContact O-N 3.27Å; R579-K582 PolarHBondContact O-N 3.24Å; R579-Y587 HydrophobicContact CB-CD2 3.98Å; R579-Y587 HydrophobicContact CB-CE2 3.83Å; R579-Y587 HydrophobicContact CG-CD2 4.39Å; R579-Y587 HydrophobicContact CG-CE2 3.77Å; R579-E613 IonicContact CZ-OE1 3.43Å; R579-E613 IonicContact CZ-OE2 2.74Å; R579-E613 IonicContact NE-OE1 3.5Å; R579-E613 PolarHBondContact NE-OE1 2.9Å; R579-E613 IonicContact NE-OE2 2.82Å; R579-E613 IonicContact NH2-OE1 2.66Å; R579-E613 PolarHBondContact NH2-OE1 3.02Å; R579-E613 IonicContact NH2-OE2 3.89Å; R579-E613 PolarHBondContact NH2-OE2 2.9Å
580S82.7Confident87.7Confident88 Ų8850.3 Ų50.362%0.61526%0.255SS*.Hα-helixtrans-71.9-37-179.872.10000113.8N576 E577 K582N576-S580 WeakPolarHBondContact O-CB 3.17Å; N576-S580 PolarHBondContact O-N 2.54Å; N576-S580 PolarHBondContact O-OG 3.21Å; E577-S580 PolarHBondContact O-N 2.68Å; E577-S580 VanDerWaalsContact O-N 3.1Å; E577-S580 PolarHBondContact O-OG 2.71Å; S580-K582 PolarHBondContact O-N 2.72Å
581E84.5Confident87.6Confident67 Ų6749.7 Ų49.731%0.31325%0.25SS..THydrogen-bonded Turntrans-80.7-2176.6-66.1-166.116900113.1R545 E577 W583R545-E581 IonicContact CZ-OE2 3.34Å; R545-E581 IonicContact NE-OE1 2.72Å; R545-E581 IonicContact NE-OE2 2.92Å; R545-E581 PolarHBondContact NE-OE2 3.39Å; R545-E581 IonicContact NH2-OE1 3.54Å; R545-E581 IonicContact NH2-OE2 3.55Å; R545-E581 PolarHBondContact NH2-OE2 2.89Å; E577-E581 PolarHBondContact O-N 2.92Å; E581-W583 VanDerWaalsContact C-N 3.33Å; E581-W583 HydrophobicContact CB-CG 4.34Å; E581-W583 VanDerWaalsContact O-CD1 3.28Å; E581-W583 PolarHBondContact O-N 3.22Å
582K83.4Confident87.5Confident133 Ų13353 Ų5358%0.57826%0.264SS*.THydrogen-bonded Turntrans60.833.9-178-53.2-177.5-178.3179.30114Y578 R579 S580 W584Y578-K582 PolarHBondContact O-N 2.88Å; Y578-K582 VanDerWaalsContact O-N 3.15Å; R579-K582 PolarHBondContact O-N 3.24Å; S580-K582 PolarHBondContact O-N 2.72Å; K582-W584 VanDerWaalsContact C-N 3.28Å; K582-W584 HydrophobicContact CB-CH2 4.22Å; K582-W584 HydrophobicContact CB-CZ2 3.55Å; K582-W584 HydrophobicContact CD-CZ2 4.3Å; K582-W584 HydrophobicContact CG-CH2 4.19Å; K582-W584 HydrophobicContact CG-CZ2 3.69Å; K582-W584 PolarHBondContact O-N 2.71Å
583W82.9Confident87.4Confident99 Ų9952 Ų5238%0.37526%0.256SS..  trans-8464-177.8-8429.8000111.9Y578 E581 S585 L586 Y587Y578-W583 HydrophobicContact CD1-CB 4.43Å; Y578-W583 HydrophobicContact CD1-CE3 4.35Å; Y578-W583 HydrophobicContact CE1-CE3 4.2Å; Y578-W583 PolarHBondContact O-N 2.92Å; E581-W583 VanDerWaalsContact C-N 3.33Å; E581-W583 HydrophobicContact CB-CG 4.34Å; E581-W583 VanDerWaalsContact O-CD1 3.28Å; E581-W583 PolarHBondContact O-N 3.22Å; W583-S585 VanDerWaalsContact C-N 3.34Å; W583-S585 PolarHBondContact O-N 2.84Å; W583-S585 VanDerWaalsContact O-N 3.16Å; W583-L586 HydrophobicContact CE3-CD1 3.75Å; W583-L586 HydrophobicContact CE3-CG 4.26Å; W583-L586 HydrophobicContact CZ3-CD1 3.92Å; W583-L586 PolarHBondContact O-N 3.11Å; W583-Y587 VanDerWaalsContact O-CB 3.23Å; W583-Y587 WeakPolarHBondContact O-CB 3.41Å; W583-Y587 PolarHBondContact O-N 2.93Å
584W84.5Confident87.4Confident70 Ų7049 Ų4927%0.26524%0.235SC..Hα-helixtrans-55.1-36.7-164.4-56.3131.8000115.7K582 Y587 T588 N618K582-W584 VanDerWaalsContact C-N 3.28Å; K582-W584 HydrophobicContact CB-CH2 4.22Å; K582-W584 HydrophobicContact CB-CZ2 3.55Å; K582-W584 HydrophobicContact CD-CZ2 4.3Å; K582-W584 HydrophobicContact CG-CH2 4.19Å; K582-W584 HydrophobicContact CG-CZ2 3.69Å; K582-W584 PolarHBondContact O-N 2.71Å; W584-Y587 AromaticContact CE3-CD1 3.75Å; W584-Y587 HydrophobicContact CE3-CD1 3.75Å; W584-Y587 AromaticContact CE3-CE1 3.96Å; W584-Y587 HydrophobicContact CE3-CE1 3.96Å; W584-Y587 HydrophobicContact CE3-CG 4.06Å; W584-Y587 HydrophobicContact CZ3-CD1 4.31Å; W584-Y587 HydrophobicContact CZ3-CE1 4.21Å; W584-Y587 HydrophobicContact CZ3-CE2 4.4Å; W584-Y587 HydrophobicContact CZ3-CG 4.43Å; W584-T588 WeakPolarHBondContact O-CB 3.49Å; W584-T588 PolarHBondContact O-N 3.38Å; W584-T588 PolarHBondContact O-OG1 3.36Å; W584-N618 HydrophobicContact CD2-CB 3.82Å; W584-N618 HydrophobicContact CE3-CB 3.75Å; W584-N618 HydrophobicContact CH2-CB 4.06Å; W584-N618 WeakPolarHBondContact CH2-ND2 3.48Å; W584-N618 HydrophobicContact CZ2-CB 4.07Å; W584-N618 WeakPolarHBondContact CZ2-ND2 3.41Å; W584-N618 HydrophobicContact CZ3-CB 3.88Å
585S82Confident87.4Confident56 Ų5649 Ų4939%0.39224%0.235SC..Hα-helixtrans-66.2-51.8176.853.10000112.8W583 Y587 T588 F589W583-S585 VanDerWaalsContact C-N 3.34Å; W583-S585 PolarHBondContact O-N 2.84Å; W583-S585 VanDerWaalsContact O-N 3.16Å; S585-Y587 VanDerWaalsContact C-N 3.3Å; S585-Y587 PolarHBondContact O-N 3.23Å; S585-T588 PolarHBondContact O-N 3.01Å; S585-F589 WeakPolarHBondContact O-CB 3.31Å; S585-F589 PolarHBondContact O-N 2.77Å
586L85.4Confident87.4Confident66 Ų6649.3 Ų49.335%0.34624%0.237SC..Hα-helixtrans-68.2-31.8176.3-60.6-158.3000112.2Y578 W583 T590Y578-L586 HydrophobicContact CD2-CB 3.86Å; Y578-L586 HydrophobicContact CE1-CD1 4.33Å; Y578-L586 HydrophobicContact CE2-CB 3.74Å; Y578-L586 HydrophobicContact CE2-CD1 4.21Å; Y578-L586 HydrophobicContact CG-CB 4.43Å; W583-L586 HydrophobicContact CE3-CD1 3.75Å; W583-L586 HydrophobicContact CE3-CG 4.26Å; W583-L586 HydrophobicContact CZ3-CD1 3.92Å; W583-L586 PolarHBondContact O-N 3.11Å; L586-T590 WeakPolarHBondContact O-CB 3.37Å; L586-T590 PolarHBondContact O-N 3.02Å; L586-T590 PolarHBondContact O-OG1 3.3Å
587Y89Confident87.5Confident0 Ų044.7 Ų44.70%021%0.212CC..Hα-helixtrans-61.2-55172.4162.4-92.3000111.2I575 R579 W583 W584 S585 F589 T590 L591 E613I575-Y587 HydrophobicContact CD1-CD2 3.6Å; I575-Y587 HydrophobicContact CD1-CE2 4.19Å; I575-Y587 HydrophobicContact CD1-CG 4.25Å; I575-Y587 HydrophobicContact CG1-CD2 4.35Å; R579-Y587 HydrophobicContact CB-CD2 3.98Å; R579-Y587 HydrophobicContact CB-CE2 3.83Å; R579-Y587 HydrophobicContact CG-CD2 4.39Å; R579-Y587 HydrophobicContact CG-CE2 3.77Å; W583-Y587 VanDerWaalsContact O-CB 3.23Å; W583-Y587 WeakPolarHBondContact O-CB 3.41Å; W583-Y587 PolarHBondContact O-N 2.93Å; W584-Y587 AromaticContact CE3-CD1 3.75Å; W584-Y587 HydrophobicContact CE3-CD1 3.75Å; W584-Y587 AromaticContact CE3-CE1 3.96Å; W584-Y587 HydrophobicContact CE3-CE1 3.96Å; W584-Y587 HydrophobicContact CE3-CG 4.06Å; W584-Y587 HydrophobicContact CZ3-CD1 4.31Å; W584-Y587 HydrophobicContact CZ3-CE1 4.21Å; W584-Y587 HydrophobicContact CZ3-CE2 4.4Å; W584-Y587 HydrophobicContact CZ3-CG 4.43Å; S585-Y587 VanDerWaalsContact C-N 3.3Å; S585-Y587 PolarHBondContact O-N 3.23Å; Y587-F589 PolarHBondContact O-N 3Å; Y587-T590 PolarHBondContact O-N 3.2Å; Y587-L591 HydrophobicContact CE1-CD2 4.42Å; Y587-L591 VanDerWaalsContact O-CB 3.22Å; Y587-L591 WeakPolarHBondContact O-CB 3.2Å; Y587-L591 PolarHBondContact O-N 3.44Å; Y587-E613 WeakPolarHBondContact OH-CG 3.44Å; Y587-E613 PolarHBondContact OH-OE1 2.94Å
588T89.3Confident87.6Confident14 Ų1442.1 Ų42.19%0.08620%0.2CC..Hα-helixtrans-62-41.2178.3-73.40000111.7W584 S585 L591 K592 L614 S619 S620 M621W584-T588 WeakPolarHBondContact O-CB 3.49Å; W584-T588 PolarHBondContact O-N 3.38Å; W584-T588 PolarHBondContact O-OG1 3.36Å; S585-T588 PolarHBondContact O-N 3.01Å; T588-L591 PolarHBondContact O-N 3.29Å; T588-K592 WeakPolarHBondContact O-CB 3.17Å; T588-K592 PolarHBondContact O-N 3.13Å; T588-L614 HydrophobicContact CG2-CD2 4.24Å; T588-S619 VanDerWaalsContact OG1-CA 3.31Å; T588-S619 WeakPolarHBondContact OG1-CA 3.37Å; T588-S619 PolarHBondContact OG1-OG 2.84Å; T588-S620 PolarHBondContact OG1-N 2.98Å; T588-M621 HydrophobicContact CG2-CB 3.92Å
589F89.1Confident87.6Confident106 Ų10642 Ų4247%0.46520%0.2SC..Hα-helixtrans-58.5-51.8173.1173.6-96000111.8I552 S585 Y587 L591 K592 R593I552-F589 HydrophobicContact CG2-CE1 4.27Å; S585-F589 WeakPolarHBondContact O-CB 3.31Å; S585-F589 PolarHBondContact O-N 2.77Å; Y587-F589 PolarHBondContact O-N 3Å; F589-L591 VanDerWaalsContact C-N 3.28Å; F589-L591 PolarHBondContact O-N 3.09Å; F589-K592 PolarHBondContact O-N 3.41Å; F589-R593 HydrophobicContact CE1-CG 4.23Å; F589-R593 HydrophobicContact CE2-CG 4.48Å; F589-R593 HydrophobicContact CZ-CG 4.17Å; F589-R593 WeakPolarHBondContact O-CG 3.1Å; F589-R593 PolarHBondContact O-N 3.1Å; F589-R593 VanDerWaalsContact O-N 3.1Å
590T90Very high87.7Confident0 Ų040.6 Ų40.60%020%0.196CC..Hα-helixtrans-62.2-38.1179.9-57.40000111.1I552 Y571 I575 L586 Y587 R593 I594I552-T590 HydrophobicContact CD1-CG2 3.82Å; Y571-T590 HydrophobicContact CD1-CG2 4.1Å; Y571-T590 HydrophobicContact CG-CG2 4.4Å; I575-T590 HydrophobicContact CB-CG2 4.29Å; I575-T590 HydrophobicContact CD1-CG2 4.04Å; L586-T590 WeakPolarHBondContact O-CB 3.37Å; L586-T590 PolarHBondContact O-N 3.02Å; L586-T590 PolarHBondContact O-OG1 3.3Å; Y587-T590 PolarHBondContact O-N 3.2Å; T590-R593 PolarHBondContact O-N 3.14Å; T590-I594 HydrophobicContact CG2-CD1 4.09Å; T590-I594 WeakPolarHBondContact O-CG1 3.43Å; T590-I594 PolarHBondContact O-N 3.48Å
591L91.4Very high87.9Confident4 Ų438.8 Ų38.82%0.02118%0.179CC..Hα-helixtrans-72.6-37.3-179.3-163.666.7000112.4I575 Y587 T588 F589 R593 I594 A595 E613 L614I575-L591 HydrophobicContact CD1-CB 4.06Å; I575-L591 HydrophobicContact CD1-CD1 4.21Å; I575-L591 HydrophobicContact CG1-CD1 4.17Å; Y587-L591 HydrophobicContact CE1-CD2 4.42Å; Y587-L591 VanDerWaalsContact O-CB 3.22Å; Y587-L591 WeakPolarHBondContact O-CB 3.2Å; Y587-L591 PolarHBondContact O-N 3.44Å; T588-L591 PolarHBondContact O-N 3.29Å; F589-L591 VanDerWaalsContact C-N 3.28Å; F589-L591 PolarHBondContact O-N 3.09Å; L591-R593 VanDerWaalsContact C-N 3.29Å; L591-R593 PolarHBondContact O-N 2.78Å; L591-I594 HydrophobicContact CD1-CD1 4.32Å; L591-I594 WeakPolarHBondContact O-CB 3.37Å; L591-I594 PolarHBondContact O-N 3.26Å; L591-A595 WeakPolarHBondContact O-CB 3.33Å; L591-A595 PolarHBondContact O-N 2.94Å; L591-E613 HydrophobicContact CD2-CB 3.86Å; L591-E613 HydrophobicContact CD2-CG 3.66Å; L591-L614 HydrophobicContact CB-CD2 3.94Å; L591-L614 HydrophobicContact CB-CG 4.27Å; L591-L614 HydrophobicContact CD2-CB 4.41Å; L591-L614 HydrophobicContact CD2-CD2 3.87Å; L591-L614 HydrophobicContact CD2-CG 3.7Å; L591-L614 HydrophobicContact CG-CD2 4Å; L591-L614 HydrophobicContact CG-CG 3.8Å
592K90.8Very high88.1Confident68 Ų6835.7 Ų35.730%0.29616%0.164SC..Hα-helixtrans-61.8-38.6170.1-168167.9-177175.70111T588 F589 A595 T596 L614 D625T588-K592 WeakPolarHBondContact O-CB 3.17Å; T588-K592 PolarHBondContact O-N 3.13Å; F589-K592 PolarHBondContact O-N 3.41Å; K592-A595 PolarHBondContact O-N 3.49Å; K592-T596 PolarHBondContact O-N 3.41Å; K592-T596 PolarHBondContact O-OG1 3.46Å; K592-L614 HydrophobicContact CB-CD2 4.47Å; K592-D625 IonicContact NZ-OD2 3.67Å; K592-D625 PolarHBondContact NZ-OD2 2.86Å
593R91Very high88.3Confident46 Ų4632.5 Ų32.517%0.17415%0.152CC..Hα-helixtrans-68-37.5173.3-61.6-71.5-82.7175.9-11112.9Y559 Y571 F589 T590 L591 C597Y559-R593 VanDerWaalsContact CD1-NH1 3.29Å; Y559-R593 VanDerWaalsContact CZ-NH1 3.27Å; Y571-R593 HydrophobicContact CD1-CB 4.34Å; Y571-R593 HydrophobicContact CD2-CB 4.09Å; Y571-R593 HydrophobicContact CE1-CB 4.03Å; Y571-R593 HydrophobicContact CE1-CG 4.38Å; Y571-R593 HydrophobicContact CE2-CB 3.78Å; Y571-R593 HydrophobicContact CG-CB 4.37Å; Y571-R593 PolarHBondContact OH-NE 3.04Å; Y571-R593 PolarHBondContact OH-NH2 3.27Å; F589-R593 HydrophobicContact CE1-CG 4.23Å; F589-R593 HydrophobicContact CE2-CG 4.48Å; F589-R593 HydrophobicContact CZ-CG 4.17Å; F589-R593 WeakPolarHBondContact O-CG 3.1Å; F589-R593 PolarHBondContact O-N 3.1Å; F589-R593 VanDerWaalsContact O-N 3.1Å; T590-R593 PolarHBondContact O-N 3.14Å; L591-R593 VanDerWaalsContact C-N 3.29Å; L591-R593 PolarHBondContact O-N 2.78Å; R593-C597 WeakPolarHBondContact O-CB 3.3Å; R593-C597 PolarHBondContact O-N 3.38Å; R593-C597 PolarHBondContact O-SG 2.68Å
594I92.5Very high88.4Confident2 Ų228.1 Ų28.11%0.0114%0.136CC..Hα-helixtrans-61.8-46172.2-73.5162.8000110.7L568 Y571 L572 I575 T590 L591 C597 S598 V606L568-I594 HydrophobicContact CD1-CB 4.26Å; L568-I594 HydrophobicContact CD1-CG1 4.26Å; L568-I594 HydrophobicContact CD1-CG2 3.87Å; Y571-I594 HydrophobicContact CG-CG1 4.43Å; L572-I594 HydrophobicContact CD2-CD1 4.06Å; L572-I594 HydrophobicContact CD2-CG1 4.35Å; L572-I594 HydrophobicContact CD2-CG2 4.11Å; I575-I594 HydrophobicContact CB-CD1 3.74Å; I575-I594 HydrophobicContact CD1-CD1 4.34Å; I575-I594 HydrophobicContact CG1-CD1 3.93Å; I575-I594 HydrophobicContact CG2-CD1 3.9Å; T590-I594 HydrophobicContact CG2-CD1 4.09Å; T590-I594 WeakPolarHBondContact O-CG1 3.43Å; T590-I594 PolarHBondContact O-N 3.48Å; L591-I594 HydrophobicContact CD1-CD1 4.32Å; L591-I594 WeakPolarHBondContact O-CB 3.37Å; L591-I594 PolarHBondContact O-N 3.26Å; I594-C597 PolarHBondContact O-N 3.49Å; I594-S598 WeakPolarHBondContact O-CB 3.49Å; I594-S598 PolarHBondContact O-N 3.29Å; I594-S598 PolarHBondContact O-OG 3.28Å; I594-V606 HydrophobicContact CG2-CG1 3.96Å
595A90.1Very high88.6Confident0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-63.4-45.5179.400000111.5L591 K592 S598 Y599 S610 L614 F647L591-A595 WeakPolarHBondContact O-CB 3.33Å; L591-A595 PolarHBondContact O-N 2.94Å; K592-A595 PolarHBondContact O-N 3.49Å; A595-S598 PolarHBondContact O-OG 3.25Å; A595-S598 VanDerWaalsContact O-OG 3.14Å; A595-Y599 VanDerWaalsContact O-CB 3.29Å; A595-Y599 WeakPolarHBondContact O-CB 3.38Å; A595-Y599 PolarHBondContact O-N 3.36Å; A595-S610 WeakPolarHBondContact CA-OG 3.39Å; A595-L614 HydrophobicContact CB-CD1 3.94Å; A595-F647 HydrophobicContact CB-CD1 4.15Å; A595-F647 HydrophobicContact CB-CE1 3.49Å; A595-F647 VanDerWaalsContact CB-CE1 3.49Å; A595-F647 HydrophobicContact CB-CZ 4.35Å
596T89.7Confident88.9Confident9 Ų926.7 Ų26.76%0.05513%0.132CC..Hα-helixtrans-62.9-44.2173-62.70000112.8Y559 K592 Y599 L600 F647Y559-T596 HydrophobicContact CE2-CG2 3.81Å; K592-T596 PolarHBondContact O-N 3.41Å; K592-T596 PolarHBondContact O-OG1 3.46Å; T596-Y599 WeakPolarHBondContact O-CB 3.3Å; T596-Y599 PolarHBondContact O-N 3.12Å; T596-L600 HydrophobicContact CG2-CD1 3.73Å; T596-L600 HydrophobicContact CG2-CG 4.31Å; T596-L600 VanDerWaalsContact O-CG 3.31Å; T596-L600 WeakPolarHBondContact O-CG 3Å; T596-L600 PolarHBondContact O-N 2.97Å; T596-F647 WeakPolarHBondContact CG2-O 3.25Å; T596-F647 PolarHBondContact OG1-O 3.07Å
597C89.6Confident89.2Confident0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-65.9-44179.8-63.40000111.7L568 R593 I594 Y599 L600 I601L568-C597 HydrophobicContact CB-CB 3.84Å; L568-C597 HydrophobicContact CD1-CB 4.16Å; L568-C597 HydrophobicContact CG-CB 4.46Å; R593-C597 WeakPolarHBondContact O-CB 3.3Å; R593-C597 PolarHBondContact O-N 3.38Å; R593-C597 PolarHBondContact O-SG 2.68Å; I594-C597 PolarHBondContact O-N 3.49Å; C597-Y599 VanDerWaalsContact C-N 3.26Å; C597-Y599 PolarHBondContact O-N 3.34Å; C597-L600 PolarHBondContact O-N 3.01Å; C597-I601 HydrophobicContact CB-CD1 4.49Å; C597-I601 WeakPolarHBondContact O-CD1 3.36Å; C597-I601 WeakPolarHBondContact O-CG1 3.45Å; C597-I601 PolarHBondContact O-N 3.08Å
598S89.5Confident89.2Confident0 Ų023.6 Ų23.60%012%0.116CC..Hα-helixtrans-66.8-27.3175.955.70000112.8I594 A595 A602 Q603 F607I594-S598 WeakPolarHBondContact O-CB 3.49Å; I594-S598 PolarHBondContact O-N 3.29Å; I594-S598 PolarHBondContact O-OG 3.28Å; A595-S598 PolarHBondContact O-OG 3.25Å; A595-S598 VanDerWaalsContact O-OG 3.14Å; S598-A602 PolarHBondContact O-N 3.46Å; S598-Q603 PolarHBondContact O-N 2.82Å; S598-F607 WeakPolarHBondContact OG-CA 3.38Å; S598-F607 PolarHBondContact OG-N 3.4Å
599Y87.8Confident89.2Confident7 Ų724.2 Ų24.23%0.02712%0.121CC..Hα-helixtrans-63.9-50.8168.1179.8-95.9000112.5A595 T596 C597 I601 A602 F607 P642 L644 F647 I658 W662A595-Y599 VanDerWaalsContact O-CB 3.29Å; A595-Y599 WeakPolarHBondContact O-CB 3.38Å; A595-Y599 PolarHBondContact O-N 3.36Å; T596-Y599 WeakPolarHBondContact O-CB 3.3Å; T596-Y599 PolarHBondContact O-N 3.12Å; C597-Y599 VanDerWaalsContact C-N 3.26Å; C597-Y599 PolarHBondContact O-N 3.34Å; Y599-I601 VanDerWaalsContact C-N 3.34Å; Y599-I601 PolarHBondContact O-N 2.95Å; Y599-A602 PolarHBondContact O-N 2.89Å; Y599-A602 VanDerWaalsContact O-N 3.13Å; Y599-F607 HydrophobicContact CD2-CD2 4.38Å; Y599-F607 AromaticContact CD2-CE2 3.8Å; Y599-F607 HydrophobicContact CD2-CE2 3.8Å; Y599-F607 HydrophobicContact CD2-CZ 4.25Å; Y599-F607 HydrophobicContact CG-CE2 4.32Å; Y599-P642 HydrophobicContact CD2-CB 4.08Å; Y599-P642 HydrophobicContact CD2-CG 3.85Å; Y599-P642 HydrophobicContact CE2-CB 3.72Å; Y599-P642 HydrophobicContact CE2-CG 3.7Å; Y599-P642 VanDerWaalsContact CE2-O 3.29Å; Y599-P642 WeakPolarHBondContact CE2-O 3.43Å; Y599-P642 PolarHBondContact OH-O 3.01Å; Y599-L644 HydrophobicContact CE1-CD1 3.63Å; Y599-L644 WeakPolarHBondContact OH-CA 3.23Å; Y599-F647 HydrophobicContact CD1-CB 4.06Å; Y599-F647 HydrophobicContact CD2-CD2 4.23Å; Y599-F647 HydrophobicContact CG-CB 4.06Å; Y599-F647 HydrophobicContact CG-CD2 4.38Å; Y599-F647 HydrophobicContact CG-CG 4.33Å; Y599-I658 HydrophobicContact CE1-CG2 4.02Å; Y599-W662 AromaticContact CD2-CZ2 3.99Å; Y599-W662 HydrophobicContact CD2-CZ2 3.99Å; Y599-W662 PolarHBondContact O-NE1 2.81Å
600L86.9Confident89.2Confident17 Ų1719.4 Ų19.49%0.08910%0.1CC..Hα-helixtrans-70-26.6-175.4-67.5169.5000113.7Y559 Y564 T596 C597 A648 L651 I658Y559-L600 HydrophobicContact CE2-CD1 4.23Å; Y564-L600 HydrophobicContact CD1-CD1 3.92Å; Y564-L600 HydrophobicContact CD2-CB 3.89Å; Y564-L600 HydrophobicContact CD2-CD1 4.27Å; Y564-L600 HydrophobicContact CE1-CD1 3.6Å; Y564-L600 HydrophobicContact CE2-CB 4.15Å; Y564-L600 HydrophobicContact CE2-CD1 3.97Å; Y564-L600 HydrophobicContact CG-CB 4.17Å; Y564-L600 HydrophobicContact CG-CD1 4.25Å; T596-L600 HydrophobicContact CG2-CD1 3.73Å; T596-L600 HydrophobicContact CG2-CG 4.31Å; T596-L600 VanDerWaalsContact O-CG 3.31Å; T596-L600 WeakPolarHBondContact O-CG 3Å; T596-L600 PolarHBondContact O-N 2.97Å; C597-L600 PolarHBondContact O-N 3.01Å; L600-A648 HydrophobicContact CD2-CB 3.91Å; L600-L651 HydrophobicContact CD2-CD2 3.91Å; L600-I658 HydrophobicContact CD2-CD1 3.67Å; L600-I658 HydrophobicContact CD2-CG1 4.47Å
601I87.4Confident89.2Confident51 Ų5119.4 Ų19.426%0.26210%0.1SC..THydrogen-bonded Turntrans-89.6-8.6174.8-51.5154.1000111.6Y564 L568 C597 Y599 Q603Y564-I601 WeakPolarHBondContact O-CD1 3.46Å; L568-I601 HydrophobicContact CB-CD1 4.04Å; L568-I601 HydrophobicContact CD2-CD1 3.72Å; C597-I601 HydrophobicContact CB-CD1 4.49Å; C597-I601 WeakPolarHBondContact O-CD1 3.36Å; C597-I601 WeakPolarHBondContact O-CG1 3.45Å; C597-I601 PolarHBondContact O-N 3.08Å; Y599-I601 VanDerWaalsContact C-N 3.34Å; Y599-I601 PolarHBondContact O-N 2.95Å; I601-Q603 HydrophobicContact CB-CG 4.25Å; I601-Q603 HydrophobicContact CG2-CG 4.01Å
602A87.4Confident89.1Confident1 Ų119.6 Ų19.61%0.00810%0.102CC..THydrogen-bonded Turntrans53.668.6-168.100000113.1S598 Y599 P604 W662 Q665S598-A602 PolarHBondContact O-N 3.46Å; Y599-A602 PolarHBondContact O-N 2.89Å; Y599-A602 VanDerWaalsContact O-N 3.13Å; A602-P604 WeakPolarHBondContact O-CD 3.36Å; A602-W662 HydrophobicContact CB-CB 4.27Å; A602-W662 HydrophobicContact CB-CD2 3.84Å; A602-W662 HydrophobicContact CB-CG 3.65Å; A602-Q665 HydrophobicContact CB-CG 4.49Å; A602-Q665 WeakPolarHBondContact O-CG 3.37Å
603Q88.2Confident89Confident67 Ų6716.5 Ų16.531%0.3139%0.088SC..  trans-113.188.7173.2-66.8-170.9800110.7S598 I601 T605 V606 F607S598-Q603 PolarHBondContact O-N 2.82Å; I601-Q603 HydrophobicContact CB-CG 4.25Å; I601-Q603 HydrophobicContact CG2-CG 4.01Å; Q603-T605 VanDerWaalsContact C-N 3.32Å; Q603-T605 PolarHBondContact O-N 2.66Å; Q603-V606 HydrophobicContact CB-CB 4.25Å; Q603-V606 HydrophobicContact CB-CG2 4.38Å; Q603-V606 PolarHBondContact O-N 3.06Å; Q603-F607 VanDerWaalsContact O-CB 3.29Å; Q603-F607 WeakPolarHBondContact O-CB 3.24Å; Q603-F607 PolarHBondContact O-N 3.43Å
604P85.5Confident88.9Confident7 Ų714.3 Ų14.35%0.0458%0.08CC..Hα-helixtrans-57.1-38.7-168.7-26.233.2000114.7A602 L608 F636 W662 Q665 L669 I711A602-P604 WeakPolarHBondContact O-CD 3.36Å; P604-L608 VanDerWaalsContact O-CB 3.32Å; P604-L608 WeakPolarHBondContact O-CB 3.42Å; P604-L608 VanDerWaalsContact O-CG 3.28Å; P604-L608 WeakPolarHBondContact O-CG 3.26Å; P604-L608 PolarHBondContact O-N 2.89Å; P604-F636 HydrophobicContact CB-CZ 4.02Å; P604-F636 HydrophobicContact CG-CZ 4.49Å; P604-W662 HydrophobicContact CB-CH2 4.43Å; P604-W662 HydrophobicContact CB-CZ3 3.8Å; P604-W662 HydrophobicContact CG-CE3 4.04Å; P604-W662 HydrophobicContact CG-CH2 4.43Å; P604-W662 HydrophobicContact CG-CZ3 3.62Å; P604-Q665 HydrophobicContact CG-CB 4.44Å; P604-L669 HydrophobicContact CB-CD1 4.31Å; P604-L669 HydrophobicContact CG-CD1 4.06Å; P604-I711 HydrophobicContact CB-CD1 4.47Å
605T88.2Confident88.8Confident66 Ų6614.3 Ų14.341%0.4058%0.08SC..Hα-helixtrans-72.8-41.2-176.951.60000112.7Q603 S609 I711 L713Q603-T605 VanDerWaalsContact C-N 3.32Å; Q603-T605 PolarHBondContact O-N 2.66Å; T605-S609 VanDerWaalsContact O-CB 3.31Å; T605-S609 WeakPolarHBondContact O-CB 3.33Å; T605-S609 PolarHBondContact O-N 3.45Å; T605-S609 PolarHBondContact O-OG 2.89Å; T605-I711 HydrophobicContact CG2-CG2 4.36Å; T605-L713 HydrophobicContact CG2-CD2 4.08Å
606V89.2Confident88.5Confident29 Ų2914.3 Ų14.318%0.1768%0.08CC..Hα-helixtrans-70.7-38.4175.8-1760000110.6L568 L572 I594 Q603 S609 S610L568-V606 HydrophobicContact CD1-CG1 4.15Å; L568-V606 HydrophobicContact CD2-CG1 4.44Å; L572-V606 HydrophobicContact CD2-CG1 4.39Å; I594-V606 HydrophobicContact CG2-CG1 3.96Å; Q603-V606 HydrophobicContact CB-CB 4.25Å; Q603-V606 HydrophobicContact CB-CG2 4.38Å; Q603-V606 PolarHBondContact O-N 3.06Å; V606-S609 WeakPolarHBondContact CA-OG 3.33Å; V606-S609 PolarHBondContact O-OG 2.66Å; V606-S610 WeakPolarHBondContact O-CB 3.5Å; V606-S610 PolarHBondContact O-N 2.92Å; V606-S610 PolarHBondContact O-OG 3.15Å
607F90.5Very high88Confident0 Ų016.3 Ų16.30%09%0.093CC..Hα-helixtrans-61-58.5173.5178.1-100.6000111.3S598 Y599 Q603 S609 S610 C611 A632 P642 F647 W662S598-F607 WeakPolarHBondContact OG-CA 3.38Å; S598-F607 PolarHBondContact OG-N 3.4Å; Y599-F607 HydrophobicContact CD2-CD2 4.38Å; Y599-F607 AromaticContact CD2-CE2 3.8Å; Y599-F607 HydrophobicContact CD2-CE2 3.8Å; Y599-F607 HydrophobicContact CD2-CZ 4.25Å; Y599-F607 HydrophobicContact CG-CE2 4.32Å; Q603-F607 VanDerWaalsContact O-CB 3.29Å; Q603-F607 WeakPolarHBondContact O-CB 3.24Å; Q603-F607 PolarHBondContact O-N 3.43Å; F607-S609 PolarHBondContact O-N 3.34Å; F607-S610 PolarHBondContact O-N 2.89Å; F607-S610 PolarHBondContact O-OG 2.88Å; F607-S610 VanDerWaalsContact O-OG 3.07Å; F607-C611 WeakPolarHBondContact O-CB 3.36Å; F607-C611 PolarHBondContact O-N 3Å; F607-C611 PolarHBondContact O-SG 2.86Å; F607-A632 HydrophobicContact CZ-CB 4.4Å; F607-P642 HydrophobicContact CD1-CG 4.26Å; F607-P642 HydrophobicContact CE1-CB 3.79Å; F607-P642 HydrophobicContact CE1-CG 3.62Å; F607-P642 HydrophobicContact CE2-CG 4.47Å; F607-P642 HydrophobicContact CZ-CB 3.6Å; F607-P642 HydrophobicContact CZ-CG 3.74Å; F607-F647 AromaticContact CE2-CD2 3.83Å; F607-F647 HydrophobicContact CE2-CD2 3.83Å; F607-F647 HydrophobicContact CE2-CE1 4.13Å; F607-F647 AromaticContact CE2-CE2 3.36Å; F607-F647 HydrophobicContact CE2-CE2 3.36Å; F607-F647 HydrophobicContact CE2-CG 4.39Å; F607-F647 AromaticContact CE2-CZ 3.51Å; F607-F647 HydrophobicContact CE2-CZ 3.51Å; F607-F647 HydrophobicContact CZ-CD2 4.18Å; F607-F647 AromaticContact CZ-CE2 3.47Å; F607-F647 HydrophobicContact CZ-CE2 3.47Å; F607-F647 VanDerWaalsContact CZ-CE2 3.47Å; F607-F647 AromaticContact CZ-CZ 3.86Å; F607-F647 HydrophobicContact CZ-CZ 3.86Å; F607-W662 HydrophobicContact CB-CH2 3.96Å; F607-W662 HydrophobicContact CB-CZ2 4.45Å; F607-W662 AromaticContact CD1-CH2 3.71Å; F607-W662 HydrophobicContact CD1-CH2 3.71Å; F607-W662 HydrophobicContact CD1-CZ2 4.34Å; F607-W662 HydrophobicContact CD2-CH2 4.49Å; F607-W662 HydrophobicContact CD2-CZ2 4.41Å; F607-W662 HydrophobicContact CE1-CH2 4.32Å; F607-W662 AromaticContact CG-CH2 3.8Å; F607-W662 HydrophobicContact CG-CH2 3.8Å; F607-W662 HydrophobicContact CG-CZ2 4.15Å
608L89.3Confident87.7Confident1 Ų119.1 Ų19.11%0.00511%0.108CC..Hα-helixtrans-60.8-42.3-178.3-73.2174.8000112.7P604 C611 L612 I633 F636 I711 L713P604-L608 VanDerWaalsContact O-CB 3.32Å; P604-L608 WeakPolarHBondContact O-CB 3.42Å; P604-L608 VanDerWaalsContact O-CG 3.28Å; P604-L608 WeakPolarHBondContact O-CG 3.26Å; P604-L608 PolarHBondContact O-N 2.89Å; L608-C611 PolarHBondContact O-N 3.08Å; L608-L612 VanDerWaalsContact O-CB 3.3Å; L608-L612 WeakPolarHBondContact O-CB 3.4Å; L608-L612 WeakPolarHBondContact O-CG 3.36Å; L608-L612 PolarHBondContact O-N 3.39Å; L608-I633 HydrophobicContact CD2-CB 4.44Å; L608-I633 HydrophobicContact CD2-CG1 4.13Å; L608-I633 HydrophobicContact CD2-CG2 3.93Å; L608-F636 HydrophobicContact CD1-CD1 4.29Å; L608-F636 HydrophobicContact CD1-CE1 3.95Å; L608-F636 HydrophobicContact CD2-CD1 4.1Å; L608-F636 HydrophobicContact CG-CD1 4.43Å; L608-F636 HydrophobicContact CG-CE1 4.44Å; L608-I711 HydrophobicContact CD1-CD1 4.32Å; L608-I711 HydrophobicContact CD1-CG2 4.16Å; L608-L713 HydrophobicContact CB-CD1 3.78Å; L608-L713 HydrophobicContact CD1-CD1 4.42Å
609S88.8Confident87.4Confident28 Ų2819.4 Ų19.420%0.19611%0.11CC..Hα-helixtrans-65.5-43.2178.453.80000112.6T605 V606 F607 E613T605-S609 VanDerWaalsContact O-CB 3.31Å; T605-S609 WeakPolarHBondContact O-CB 3.33Å; T605-S609 PolarHBondContact O-N 3.45Å; T605-S609 PolarHBondContact O-OG 2.89Å; V606-S609 WeakPolarHBondContact CA-OG 3.33Å; V606-S609 PolarHBondContact O-OG 2.66Å; F607-S609 PolarHBondContact O-N 3.34Å; S609-E613 VanDerWaalsContact O-CB 3.29Å; S609-E613 WeakPolarHBondContact O-CB 3.46Å; S609-E613 PolarHBondContact O-N 3.33Å
610S89.8Confident87.2Confident4 Ų422.9 Ų22.93%0.02814%0.136CC..Hα-helixtrans-68.7-35.717659.50000113A595 V606 F607 E613 L614A595-S610 WeakPolarHBondContact CA-OG 3.39Å; V606-S610 WeakPolarHBondContact O-CB 3.5Å; V606-S610 PolarHBondContact O-N 2.92Å; V606-S610 PolarHBondContact O-OG 3.15Å; F607-S610 PolarHBondContact O-N 2.89Å; F607-S610 PolarHBondContact O-OG 2.88Å; F607-S610 VanDerWaalsContact O-OG 3.07Å; S610-E613 PolarHBondContact O-N 3.04Å; S610-L614 WeakPolarHBondContact O-CB 3.48Å; S610-L614 WeakPolarHBondContact O-CG 3.42Å; S610-L614 PolarHBondContact O-N 3.11Å
611C89.7Confident87.2Confident0 Ų022.7 Ų22.70%013%0.134CC..Hα-helixtrans-67.8-47.2173.9-66.20000112.1F607 L608 E613 L614 L615 I633 F647F607-C611 WeakPolarHBondContact O-CB 3.36Å; F607-C611 PolarHBondContact O-N 3Å; F607-C611 PolarHBondContact O-SG 2.86Å; L608-C611 PolarHBondContact O-N 3.08Å; C611-E613 PolarHBondContact O-N 3.29Å; C611-L614 PolarHBondContact O-N 3.37Å; C611-L614 VanDerWaalsContact O-N 3.15Å; C611-L615 WeakPolarHBondContact O-CG 3.47Å; C611-L615 PolarHBondContact O-N 3.17Å; C611-I633 HydrophobicContact CB-CD1 3.79Å; C611-I633 HydrophobicContact CB-CG1 3.94Å; C611-F647 VanDerWaalsContact SG-CZ 3.55Å
612L89.1Confident87Confident9 Ų923.7 Ų23.75%0.04714%0.144CC..Hα-helixtrans-59.3-32.4174.7-73.7169.9000112.4L608 I633 L713 T720 C721 V853L608-L612 VanDerWaalsContact O-CB 3.3Å; L608-L612 WeakPolarHBondContact O-CB 3.4Å; L608-L612 WeakPolarHBondContact O-CG 3.36Å; L608-L612 PolarHBondContact O-N 3.39Å; L612-I633 HydrophobicContact CD2-CD1 4.18Å; L612-I633 HydrophobicContact CG-CD1 4.32Å; L612-L713 HydrophobicContact CD1-CD1 3.95Å; L612-T720 HydrophobicContact CB-CG2 4.17Å; L612-T720 CarbonylContact O-C 3.53Å; L612-T720 VanDerWaalsContact O-CA 3.27Å; L612-T720 WeakPolarHBondContact O-CA 3.31Å; L612-C721 PolarHBondContact O-N 3.4Å; L612-V853 HydrophobicContact CD1-CG1 3.91Å
613E89.5Confident86.8Confident3 Ų329.5 Ų29.51%0.01418%0.175CC..Hα-helixtrans-80.3-31.7175.6-173.7169.1-123.700113.3R579 Y587 L591 S609 S610 C611 L615 G616 N719R579-E613 IonicContact CZ-OE1 3.43Å; R579-E613 IonicContact CZ-OE2 2.74Å; R579-E613 IonicContact NE-OE1 3.5Å; R579-E613 PolarHBondContact NE-OE1 2.9Å; R579-E613 IonicContact NE-OE2 2.82Å; R579-E613 IonicContact NH2-OE1 2.66Å; R579-E613 PolarHBondContact NH2-OE1 3.02Å; R579-E613 IonicContact NH2-OE2 3.89Å; R579-E613 PolarHBondContact NH2-OE2 2.9Å; Y587-E613 WeakPolarHBondContact OH-CG 3.44Å; Y587-E613 PolarHBondContact OH-OE1 2.94Å; L591-E613 HydrophobicContact CD2-CB 3.86Å; L591-E613 HydrophobicContact CD2-CG 3.66Å; S609-E613 VanDerWaalsContact O-CB 3.29Å; S609-E613 WeakPolarHBondContact O-CB 3.46Å; S609-E613 PolarHBondContact O-N 3.33Å; S610-E613 PolarHBondContact O-N 3.04Å; C611-E613 PolarHBondContact O-N 3.29Å; E613-L615 VanDerWaalsContact C-N 3.29Å; E613-L615 PolarHBondContact O-N 3.21Å; E613-G616 PolarHBondContact O-N 2.88Å; E613-N719 PolarHBondContact OE1-N 3.24Å
614L88.8Confident86.6Confident0 Ų030.1 Ų30.10%019%0.186CC..Hα-helixtrans-65.8-30.6169.4-81.8170.3000112.9T588 L591 K592 A595 S610 C611 S619 M621 K626T588-L614 HydrophobicContact CG2-CD2 4.24Å; L591-L614 HydrophobicContact CB-CD2 3.94Å; L591-L614 HydrophobicContact CB-CG 4.27Å; L591-L614 HydrophobicContact CD2-CB 4.41Å; L591-L614 HydrophobicContact CD2-CD2 3.87Å; L591-L614 HydrophobicContact CD2-CG 3.7Å; L591-L614 HydrophobicContact CG-CD2 4Å; L591-L614 HydrophobicContact CG-CG 3.8Å; K592-L614 HydrophobicContact CB-CD2 4.47Å; A595-L614 HydrophobicContact CB-CD1 3.94Å; S610-L614 WeakPolarHBondContact O-CB 3.48Å; S610-L614 WeakPolarHBondContact O-CG 3.42Å; S610-L614 PolarHBondContact O-N 3.11Å; C611-L614 PolarHBondContact O-N 3.37Å; C611-L614 VanDerWaalsContact O-N 3.15Å; L614-S619 WeakPolarHBondContact O-CB 3.36Å; L614-S619 PolarHBondContact O-OG 3.14Å; L614-M621 HydrophobicContact CB-CE 3.8Å; L614-M621 HydrophobicContact CB-SD 4.36Å; L614-M621 HydrophobicContact CD1-SD 4.35Å; L614-M621 HydrophobicContact CD2-CE 4.45Å; L614-M621 HydrophobicContact CD2-SD 3.91Å; L614-M621 HydrophobicContact CG-CE 4.47Å; L614-M621 HydrophobicContact CG-SD 4.44Å; L614-K626 VanDerWaalsContact O-CE 3.32Å; L614-K626 WeakPolarHBondContact O-CE 3.48Å
615L89.3Confident86.5Confident1 Ų131.3 Ų31.31%0.00519%0.192CC..THydrogen-bonded Turntrans-75.7-9.7171.5-63178.4000112.9C611 E613 K626 A629 Q630 I633 C721 P750C611-L615 WeakPolarHBondContact O-CG 3.47Å; C611-L615 PolarHBondContact O-N 3.17Å; E613-L615 VanDerWaalsContact C-N 3.29Å; E613-L615 PolarHBondContact O-N 3.21Å; L615-K626 HydrophobicContact CD2-CB 3.79Å; L615-K626 HydrophobicContact CD2-CG 4.17Å; L615-K626 WeakPolarHBondContact CD2-O 3.41Å; L615-A629 HydrophobicContact CD2-CB 4.08Å; L615-Q630 HydrophobicContact CD1-CB 3.87Å; L615-Q630 HydrophobicContact CD1-CG 4.06Å; L615-Q630 HydrophobicContact CD2-CB 4.17Å; L615-I633 HydrophobicContact CD1-CD1 3.89Å; L615-C721 HydrophobicContact CB-CB 3.48Å; L615-C721 VanDerWaalsContact CB-CB 3.48Å; L615-C721 WeakPolarHBondContact O-CB 3.47Å; L615-P750 HydrophobicContact CD2-CG 4.46Å
616G84.2Confident86.5Confident1 Ų129.5 Ų29.51%0.0118%0.178CC..SBendtrans-64.7163-178.900000114.5E613 N618 S619 K626E613-G616 PolarHBondContact O-N 2.88Å; G616-N618 VanDerWaalsContact C-N 3.33Å; G616-N618 PolarHBondContact O-N 3.24Å; G616-S619 WeakPolarHBondContact O-CB 3.47Å; G616-S619 PolarHBondContact O-N 2.88Å; G616-K626 PolarHBondContact O-NZ 3.27Å
617P79.1Confident86.5Confident51 Ų5130 Ų3033%0.33118%0.181SC..THydrogen-bonded Turntrans-64.6-34.3-177.423.3-31.7000113.1S619 F748P617-S619 PolarHBondContact O-N 2.85Å; P617-F748 HydrophobicContact CB-CD1 3.9Å; P617-F748 HydrophobicContact CB-CE1 4.09Å; P617-F748 HydrophobicContact CB-CG 4.2Å; P617-F748 HydrophobicContact CG-CD1 4.36Å; P617-F748 HydrophobicContact CG-CD2 4.3Å; P617-F748 HydrophobicContact CG-CE1 4.42Å; P617-F748 HydrophobicContact CG-CE2 4.39Å; P617-F748 HydrophobicContact CG-CG 4.28Å; P617-F748 HydrophobicContact CG-CZ 4.43Å
618N82.9Confident86.2Confident58 Ų5833.9 Ų33.931%0.3120%0.199SC..THydrogen-bonded Turntrans-82.82.2-177.7-54.519.9000113.3W584 G616 N719W584-N618 HydrophobicContact CD2-CB 3.82Å; W584-N618 HydrophobicContact CE3-CB 3.75Å; W584-N618 HydrophobicContact CH2-CB 4.06Å; W584-N618 WeakPolarHBondContact CH2-ND2 3.48Å; W584-N618 HydrophobicContact CZ2-CB 4.07Å; W584-N618 WeakPolarHBondContact CZ2-ND2 3.41Å; W584-N618 HydrophobicContact CZ3-CB 3.88Å; G616-N618 VanDerWaalsContact C-N 3.33Å; G616-N618 PolarHBondContact O-N 3.24Å; N618-N719 WeakPolarHBondContact CB-ND2 3.29Å; N618-N719 PolarHBondContact ND2-ND2 2.93Å; N618-N719 PolarHBondContact OD1-ND2 2.82Å
619S84.6Confident86Confident6 Ų633.8 Ų33.84%0.04220%0.199CC..  trans-86.7117.5178.4178.10000110.4T588 L614 G616 P617 M621 K626T588-S619 VanDerWaalsContact OG1-CA 3.31Å; T588-S619 WeakPolarHBondContact OG1-CA 3.37Å; T588-S619 PolarHBondContact OG1-OG 2.84Å; L614-S619 WeakPolarHBondContact O-CB 3.36Å; L614-S619 PolarHBondContact O-OG 3.14Å; G616-S619 WeakPolarHBondContact O-CB 3.47Å; G616-S619 PolarHBondContact O-N 2.88Å; P617-S619 PolarHBondContact O-N 2.85Å; S619-M621 PolarHBondContact O-N 2.94Å; S619-K626 WeakPolarHBondContact O-CE 3.49Å; S619-K626 PolarHBondContact O-NZ 3.07Å
620S83.5Confident86.1Confident80 Ų8032.6 Ų32.656%0.55919%0.19SC*.  trans-7322178-50.10000114T588T588-S620 PolarHBondContact OG1-N 2.98Å
621M85.2Confident85.9Confident13 Ų1336.7 Ų36.76%0.06421%0.208CC..  trans-81.7136.5-178.6-168.7163.978.700110.7T588 L614 S619 D625 K626 A629T588-M621 HydrophobicContact CG2-CB 3.92Å; L614-M621 HydrophobicContact CB-CE 3.8Å; L614-M621 HydrophobicContact CB-SD 4.36Å; L614-M621 HydrophobicContact CD1-SD 4.35Å; L614-M621 HydrophobicContact CD2-CE 4.45Å; L614-M621 HydrophobicContact CD2-SD 3.91Å; L614-M621 HydrophobicContact CG-CE 4.47Å; L614-M621 HydrophobicContact CG-SD 4.44Å; S619-M621 PolarHBondContact O-N 2.94Å; M621-D625 HydrophobicContact CE-CB 4.17Å; M621-D625 HydrophobicContact CG-CB 3.45Å; M621-D625 VanDerWaalsContact CG-CB 3.45Å; M621-D625 HydrophobicContact SD-CB 3.88Å; M621-K626 HydrophobicContact CB-CG 4.27Å; M621-K626 HydrophobicContact CE-CB 4.32Å; M621-K626 HydrophobicContact CE-CG 3.64Å; M621-K626 HydrophobicContact CG-CG 4.44Å; M621-K626 VanDerWaalsContact O-CE 3.24Å; M621-K626 WeakPolarHBondContact O-CE 3.15Å; M621-A629 HydrophobicContact CE-CB 3.93Å
622P84Confident85.7Confident72 Ų7236.8 Ų36.847%0.46821%0.21SC..  trans-56.2156.3178.6-28.236.6000114.1C624 D625 K626P622-C624 VanDerWaalsContact C-N 3.34Å; P622-C624 PolarHBondContact O-N 3.22Å; P622-D625 HydrophobicContact CB-CB 4.48Å; P622-D625 PolarHBondContact O-N 3.45Å; P622-K626 WeakPolarHBondContact O-CG 3.36Å; P622-K626 PolarHBondContact O-N 2.85Å
623L83.5Confident85.6Confident124 Ų12437 Ų3765%0.64921%0.211SC*.Hα-helixtrans-62.9-38-178.3-175.661.1000112.7K626 V627 P750L623-K626 PolarHBondContact O-N 3.41Å; L623-V627 WeakPolarHBondContact O-CG2 3.37Å; L623-V627 PolarHBondContact O-N 2.87Å; L623-P750 HydrophobicContact CD1-CB 3.7Å
624C83.3Confident85.5Confident80 Ų8037.8 Ų37.854%0.54121%0.214SC..Hα-helixtrans-61.4-49.7174.947.20000112.2P622 K626 V627 Q628P622-C624 VanDerWaalsContact C-N 3.34Å; P622-C624 PolarHBondContact O-N 3.22Å; C624-K626 VanDerWaalsContact C-N 3.3Å; C624-K626 PolarHBondContact O-N 2.86Å; C624-V627 PolarHBondContact O-N 3.23Å; C624-Q628 PolarHBondContact O-N 3.39Å
625D84.5Confident85.3Confident32 Ų3240 Ų4017%0.17123%0.226CC..Hα-helixtrans-57.5-40.1171.6-77.645000111.7K592 M621 P622 Q628 A629K592-D625 IonicContact NZ-OD2 3.67Å; K592-D625 PolarHBondContact NZ-OD2 2.86Å; M621-D625 HydrophobicContact CE-CB 4.17Å; M621-D625 HydrophobicContact CG-CB 3.45Å; M621-D625 VanDerWaalsContact CG-CB 3.45Å; M621-D625 HydrophobicContact SD-CB 3.88Å; P622-D625 HydrophobicContact CB-CB 4.48Å; P622-D625 PolarHBondContact O-N 3.45Å; D625-Q628 PolarHBondContact O-N 2.78Å; D625-A629 VanDerWaalsContact O-CB 3.31Å; D625-A629 WeakPolarHBondContact O-CB 3.27Å; D625-A629 PolarHBondContact O-N 2.94Å
626K88.1Confident85.1Confident28 Ų2840 Ų4012%0.12223%0.226CC..Hα-helixtrans-65.3-40.3175.8-72.2-173.5-178.1-174.30111.6L614 L615 G616 S619 M621 P622 L623 C624 A629 Q630 P750L614-K626 VanDerWaalsContact O-CE 3.32Å; L614-K626 WeakPolarHBondContact O-CE 3.48Å; L615-K626 HydrophobicContact CD2-CB 3.79Å; L615-K626 HydrophobicContact CD2-CG 4.17Å; L615-K626 WeakPolarHBondContact CD2-O 3.41Å; G616-K626 PolarHBondContact O-NZ 3.27Å; S619-K626 WeakPolarHBondContact O-CE 3.49Å; S619-K626 PolarHBondContact O-NZ 3.07Å; M621-K626 HydrophobicContact CB-CG 4.27Å; M621-K626 HydrophobicContact CE-CB 4.32Å; M621-K626 HydrophobicContact CE-CG 3.64Å; M621-K626 HydrophobicContact CG-CG 4.44Å; M621-K626 VanDerWaalsContact O-CE 3.24Å; M621-K626 WeakPolarHBondContact O-CE 3.15Å; P622-K626 WeakPolarHBondContact O-CG 3.36Å; P622-K626 PolarHBondContact O-N 2.85Å; L623-K626 PolarHBondContact O-N 3.41Å; C624-K626 VanDerWaalsContact C-N 3.3Å; C624-K626 PolarHBondContact O-N 2.86Å; K626-A629 PolarHBondContact O-N 2.92Å; K626-Q630 PolarHBondContact O-N 3.4Å; K626-P750 HydrophobicContact CB-CG 3.91Å
627V87.9Confident85Confident38 Ų3840.1 Ų40.123%0.2323%0.226CC..Hα-helixtrans-61.1-46.8174167.40000110.9L623 C624 Q630 Q631 P750 L751L623-V627 WeakPolarHBondContact O-CG2 3.37Å; L623-V627 PolarHBondContact O-N 2.87Å; C624-V627 PolarHBondContact O-N 3.23Å; V627-Q630 PolarHBondContact O-N 3.02Å; V627-Q631 WeakPolarHBondContact O-CG 3.32Å; V627-Q631 PolarHBondContact O-N 3.45Å; V627-P750 HydrophobicContact CG2-CB 3.79Å; V627-P750 HydrophobicContact CG2-CG 3.93Å; V627-L751 HydrophobicContact CG1-CD1 4.28Å; V627-L751 HydrophobicContact CG1-CD2 4.24Å; V627-L751 HydrophobicContact CG1-CG 4.42Å; V627-L751 HydrophobicContact CG2-CD2 4.32Å
628Q84.9Confident85.1Confident82 Ų8242.4 Ų42.438%0.38323%0.231SC..Hα-helixtrans-64.6-39.4177.7-71.1-178-6.400112.7C624 D625 Q630 Q631 A632 M646C624-Q628 PolarHBondContact O-N 3.39Å; D625-Q628 PolarHBondContact O-N 2.78Å; Q628-Q630 VanDerWaalsContact C-N 3.31Å; Q628-Q630 PolarHBondContact O-N 3.02Å; Q628-Q631 PolarHBondContact O-N 3.02Å; Q628-A632 PolarHBondContact O-N 2.8Å; Q628-M646 HydrophobicContact CB-CB 4.11Å; Q628-M646 HydrophobicContact CB-CG 3.88Å; Q628-M646 HydrophobicContact CB-SD 3.52Å; Q628-M646 VanDerWaalsContact CB-SD 3.52Å
629A85.9Confident84.8Confident0 Ų043.9 Ų43.90%024%0.242CC..Hα-helixtrans-62.5-39.2176.400000111.7L615 M621 D625 K626 I633 M646L615-A629 HydrophobicContact CD2-CB 4.08Å; M621-A629 HydrophobicContact CE-CB 3.93Å; D625-A629 VanDerWaalsContact O-CB 3.31Å; D625-A629 WeakPolarHBondContact O-CB 3.27Å; D625-A629 PolarHBondContact O-N 2.94Å; K626-A629 PolarHBondContact O-N 2.92Å; A629-I633 WeakPolarHBondContact O-CG1 3.05Å; A629-I633 PolarHBondContact O-N 3.42Å; A629-M646 HydrophobicContact CB-CE 3.68Å; A629-M646 HydrophobicContact CB-SD 3.88Å; A629-M646 PolarHBondContact N-SD 3.23Å
630Q89.5Confident84.4Confident2 Ų243.7 Ų43.71%0.00924%0.241CC..Hα-helixtrans-73.7-36176.3-166.6173.7-2.900112.7L615 K626 V627 Q628 A632 I633 F634 L751 I753L615-Q630 HydrophobicContact CD1-CB 3.87Å; L615-Q630 HydrophobicContact CD1-CG 4.06Å; L615-Q630 HydrophobicContact CD2-CB 4.17Å; K626-Q630 PolarHBondContact O-N 3.4Å; V627-Q630 PolarHBondContact O-N 3.02Å; Q628-Q630 VanDerWaalsContact C-N 3.31Å; Q628-Q630 PolarHBondContact O-N 3.02Å; Q630-A632 VanDerWaalsContact C-N 3.34Å; Q630-A632 PolarHBondContact O-N 2.95Å; Q630-I633 WeakPolarHBondContact O-CB 3.41Å; Q630-I633 PolarHBondContact O-N 2.77Å; Q630-F634 HydrophobicContact CG-CD2 4.41Å; Q630-F634 HydrophobicContact CG-CE1 4.31Å; Q630-F634 HydrophobicContact CG-CE2 3.92Å; Q630-F634 HydrophobicContact CG-CZ 3.88Å; Q630-F634 VanDerWaalsContact NE2-CZ 3.29Å; Q630-F634 WeakPolarHBondContact O-CG 3.27Å; Q630-F634 PolarHBondContact O-N 3.37Å; Q630-L751 HydrophobicContact CB-CD1 4.49Å; Q630-L751 HydrophobicContact CG-CB 4.44Å; Q630-L751 PolarHBondContact NE2-O 3.39Å; Q630-L751 PolarHBondContact OE1-O 3.04Å; Q630-I753 VanDerWaalsContact NE2-CG1 3.31Å
631Q86.3Confident84.1Confident90 Ų9040.6 Ų40.642%0.42122%0.219SC..Hα-helixtrans-58.8-44.9170.7-74.5169.4-18.300111V627 Q628 I633 F634 D635 L751V627-Q631 WeakPolarHBondContact O-CG 3.32Å; V627-Q631 PolarHBondContact O-N 3.45Å; Q628-Q631 PolarHBondContact O-N 3.02Å; Q631-I633 VanDerWaalsContact C-N 3.33Å; Q631-I633 PolarHBondContact O-N 3.05Å; Q631-F634 CarbonylContact O-C 3.51Å; Q631-F634 WeakPolarHBondContact O-CA 3.49Å; Q631-F634 PolarHBondContact O-N 3.2Å; Q631-D635 PolarHBondContact O-N 3.24Å; Q631-L751 HydrophobicContact CG-CD1 3.9Å
632A85.3Confident83.8Confident3 Ų340.1 Ų40.13%0.02522%0.216CC..Hα-helixtrans-63.2-34.3176.600000113.5F607 Q628 Q630 F636 P642 F647F607-A632 HydrophobicContact CZ-CB 4.4Å; Q628-A632 PolarHBondContact O-N 2.8Å; Q630-A632 VanDerWaalsContact C-N 3.34Å; Q630-A632 PolarHBondContact O-N 2.95Å; A632-F636 WeakPolarHBondContact O-CB 3.08Å; A632-F636 PolarHBondContact O-N 3.44Å; A632-F636 VanDerWaalsContact O-N 3.11Å; A632-P642 HydrophobicContact CB-CB 4.37Å; A632-F647 HydrophobicContact CB-CE2 3.73Å
633I87.8Confident83.2Confident13 Ų1340.3 Ų40.37%0.06721%0.214CC..Hα-helixtrans-61.7-48.1168.8-65.8171.6000110.1L608 C611 L612 L615 A629 Q630 Q631 F636 L637L608-I633 HydrophobicContact CD2-CB 4.44Å; L608-I633 HydrophobicContact CD2-CG1 4.13Å; L608-I633 HydrophobicContact CD2-CG2 3.93Å; C611-I633 HydrophobicContact CB-CD1 3.79Å; C611-I633 HydrophobicContact CB-CG1 3.94Å; L612-I633 HydrophobicContact CD2-CD1 4.18Å; L612-I633 HydrophobicContact CG-CD1 4.32Å; L615-I633 HydrophobicContact CD1-CD1 3.89Å; A629-I633 WeakPolarHBondContact O-CG1 3.05Å; A629-I633 PolarHBondContact O-N 3.42Å; Q630-I633 WeakPolarHBondContact O-CB 3.41Å; Q630-I633 PolarHBondContact O-N 2.77Å; Q631-I633 VanDerWaalsContact C-N 3.33Å; Q631-I633 PolarHBondContact O-N 3.05Å; I633-F636 PolarHBondContact O-N 2.95Å; I633-L637 HydrophobicContact CG2-CD1 3.95Å; I633-L637 HydrophobicContact CG2-CG 4.41Å; I633-L637 WeakPolarHBondContact O-CG 3.35Å; I633-L637 PolarHBondContact O-N 3.02Å
634F87.8Confident82Confident20 Ų2035.9 Ų35.99%0.08819%0.19CC..Hα-helixtrans-65.7-39.2-178.5-66.7-24.3000113.2Q630 Q631 L637 K638 L751 P752 I753 P835 P836Q630-F634 HydrophobicContact CG-CD2 4.41Å; Q630-F634 HydrophobicContact CG-CE1 4.31Å; Q630-F634 HydrophobicContact CG-CE2 3.92Å; Q630-F634 HydrophobicContact CG-CZ 3.88Å; Q630-F634 VanDerWaalsContact NE2-CZ 3.29Å; Q630-F634 WeakPolarHBondContact O-CG 3.27Å; Q630-F634 PolarHBondContact O-N 3.37Å; Q631-F634 CarbonylContact O-C 3.51Å; Q631-F634 WeakPolarHBondContact O-CA 3.49Å; Q631-F634 PolarHBondContact O-N 3.2Å; F634-L637 PolarHBondContact O-N 2.9Å; F634-K638 VanDerWaalsContact O-CG 3.31Å; F634-K638 WeakPolarHBondContact O-CG 3.41Å; F634-K638 PolarHBondContact O-N 3.4Å; F634-L751 HydrophobicContact CD2-CD1 4.48Å; F634-L751 HydrophobicContact CE2-CB 4.11Å; F634-L751 HydrophobicContact CE2-CD1 4.15Å; F634-P752 WeakPolarHBondContact CZ-O 3.29Å; F634-I753 HydrophobicContact CZ-CG1 4.44Å; F634-P835 HydrophobicContact CB-CB 4.06Å; F634-P835 HydrophobicContact CB-CG 4.1Å; F634-P835 HydrophobicContact CD1-CB 3.86Å; F634-P835 HydrophobicContact CD1-CG 4.04Å; F634-P835 HydrophobicContact CE1-CB 4.44Å; F634-P835 HydrophobicContact CG-CB 3.97Å; F634-P835 HydrophobicContact CG-CG 4.32Å; F634-P836 HydrophobicContact CE2-CG 4.21Å; F634-P836 VanDerWaalsContact CZ-CD 3.44Å; F634-P836 HydrophobicContact CZ-CG 4.36Å
635D83.7Confident80.8Confident46 Ų4637.7 Ų37.725%0.24619%0.193CC..Hα-helixtrans-65.7-39.6177.1-68.8-17.5000111Q631 K638 T639 V641 N643Q631-D635 PolarHBondContact O-N 3.24Å; D635-K638 PolarHBondContact O-N 3.45Å; D635-T639 WeakPolarHBondContact O-CB 3.48Å; D635-T639 PolarHBondContact O-N 3.44Å; D635-T639 PolarHBondContact O-OG1 3.15Å; D635-V641 CarbonylContact C-O 3.39Å; D635-N643 HydrophobicContact CB-CB 4.19Å; D635-N643 WeakPolarHBondContact OD2-CB 3.28Å; D635-N643 PolarHBondContact OD2-ND2 3.2Å
636F85.2Confident79.8Confident1 Ų137.1 Ų37.10%0.00419%0.19CC..Hα-helixtrans-60.8-47.9170.9174.2-107.2000112.3P604 L608 A632 I633 K638 T639 G640 P642 W662 I711P604-F636 HydrophobicContact CB-CZ 4.02Å; P604-F636 HydrophobicContact CG-CZ 4.49Å; L608-F636 HydrophobicContact CD1-CD1 4.29Å; L608-F636 HydrophobicContact CD1-CE1 3.95Å; L608-F636 HydrophobicContact CD2-CD1 4.1Å; L608-F636 HydrophobicContact CG-CD1 4.43Å; L608-F636 HydrophobicContact CG-CE1 4.44Å; A632-F636 WeakPolarHBondContact O-CB 3.08Å; A632-F636 PolarHBondContact O-N 3.44Å; A632-F636 VanDerWaalsContact O-N 3.11Å; I633-F636 PolarHBondContact O-N 2.95Å; F636-K638 PolarHBondContact O-N 2.91Å; F636-T639 PolarHBondContact O-N 2.99Å; F636-G640 WeakPolarHBondContact CD2-O 3.2Å; F636-G640 WeakPolarHBondContact CE2-O 3.36Å; F636-G640 WeakPolarHBondContact O-CA 3.5Å; F636-G640 PolarHBondContact O-N 3.09Å; F636-P642 HydrophobicContact CB-CB 4.05Å; F636-P642 HydrophobicContact CB-CG 3.93Å; F636-P642 HydrophobicContact CD2-CG 4.09Å; F636-P642 HydrophobicContact CG-CG 4.26Å; F636-W662 AromaticContact CD2-CE3 3.79Å; F636-W662 HydrophobicContact CD2-CE3 3.79Å; F636-W662 HydrophobicContact CD2-CH2 4.42Å; F636-W662 AromaticContact CD2-CZ3 3.56Å; F636-W662 HydrophobicContact CD2-CZ3 3.56Å; F636-W662 AromaticContact CE2-CE3 3.47Å; F636-W662 HydrophobicContact CE2-CE3 3.47Å; F636-W662 VanDerWaalsContact CE2-CE3 3.47Å; F636-W662 HydrophobicContact CE2-CH2 4.48Å; F636-W662 AromaticContact CE2-CZ3 3.32Å; F636-W662 HydrophobicContact CE2-CZ3 3.32Å; F636-W662 HydrophobicContact CG-CZ3 4.36Å; F636-W662 HydrophobicContact CZ-CE3 4.4Å; F636-W662 AromaticContact CZ-CZ3 3.94Å; F636-W662 HydrophobicContact CZ-CZ3 3.94Å; F636-I711 HydrophobicContact CE1-CD1 3.63Å; F636-I711 HydrophobicContact CZ-CD1 3.74Å
637L82.9Confident78.6Confident3 Ų336.1 Ų36.12%0.01619%0.186CC..Hα-helixtrans-67.4-21.2-179.4-64.5175.4000113.7I633 F634 P835 I849 C851I633-L637 HydrophobicContact CG2-CD1 3.95Å; I633-L637 HydrophobicContact CG2-CG 4.41Å; I633-L637 WeakPolarHBondContact O-CG 3.35Å; I633-L637 PolarHBondContact O-N 3.02Å; F634-L637 PolarHBondContact O-N 2.9Å; L637-P835 HydrophobicContact CB-CG 3.97Å; L637-I849 HydrophobicContact CD2-CB 4.37Å; L637-I849 HydrophobicContact CD2-CG2 4.08Å; L637-I849 PolarHBondContact O-N 2.93Å; L637-I849 VanDerWaalsContact O-N 3.12Å; L637-C851 HydrophobicContact CD1-CB 4.43Å; L637-C851 HydrophobicContact CD2-CB 3.93Å
638K81.3Confident77.3Confident100 Ų10034.5 Ų34.544%0.43518%0.176SC..Hα-helixtrans-87.4-39.2174.6-71.9175.3-177.9179.20113.9F634 D635 F636 P835F634-K638 VanDerWaalsContact O-CG 3.31Å; F634-K638 WeakPolarHBondContact O-CG 3.41Å; F634-K638 PolarHBondContact O-N 3.4Å; D635-K638 PolarHBondContact O-N 3.45Å; F636-K638 PolarHBondContact O-N 2.91Å; K638-P835 HydrophobicContact CG-CG 3.95Å
639T76.4Confident75.9Confident88 Ų8835.3 Ų35.354%0.5419%0.189SC..Hα-helixtrans-119.7-13.2-164.6710000114.8D635 F636 V641D635-T639 WeakPolarHBondContact O-CB 3.48Å; D635-T639 PolarHBondContact O-N 3.44Å; D635-T639 PolarHBondContact O-OG1 3.15Å; F636-T639 PolarHBondContact O-N 2.99Å; T639-V641 VanDerWaalsContact C-N 3.28Å; T639-V641 PolarHBondContact OG1-N 3.24Å; T639-V641 VanDerWaalsContact OG1-N 3.16Å; T639-V641 PolarHBondContact OG1-O 2.74Å
640G75.7Confident74.6Confident2 Ų243.1 Ų43.12%0.02123%0.225CC..SBendtrans80.8-2.2-169.700000115F636F636-G640 WeakPolarHBondContact CD2-O 3.2Å; F636-G640 WeakPolarHBondContact CE2-O 3.36Å; F636-G640 WeakPolarHBondContact O-CA 3.5Å; F636-G640 PolarHBondContact O-N 3.09Å
641V77.5Confident73.2Confident16 Ų1644.7 Ų44.710%0.09723%0.234CC..SBendtrans-134.3127.2179.3-174.30000110D635 T639 E659 W662D635-V641 CarbonylContact C-O 3.39Å; T639-V641 VanDerWaalsContact C-N 3.28Å; T639-V641 PolarHBondContact OG1-N 3.24Å; T639-V641 VanDerWaalsContact OG1-N 3.16Å; T639-V641 PolarHBondContact OG1-O 2.74Å; V641-E659 HydrophobicContact CG1-CG 4.27Å; V641-W662 HydrophobicContact CG2-CB 4.16Å
642P77.9Confident71.7Confident2 Ų246.3 Ų46.31%0.01325%0.245CC..  trans-76.1144.4174.70.714.8000111.3Y599 F607 A632 F636 W662Y599-P642 HydrophobicContact CD2-CB 4.08Å; Y599-P642 HydrophobicContact CD2-CG 3.85Å; Y599-P642 HydrophobicContact CE2-CB 3.72Å; Y599-P642 HydrophobicContact CE2-CG 3.7Å; Y599-P642 VanDerWaalsContact CE2-O 3.29Å; Y599-P642 WeakPolarHBondContact CE2-O 3.43Å; Y599-P642 PolarHBondContact OH-O 3.01Å; F607-P642 HydrophobicContact CD1-CG 4.26Å; F607-P642 HydrophobicContact CE1-CB 3.79Å; F607-P642 HydrophobicContact CE1-CG 3.62Å; F607-P642 HydrophobicContact CE2-CG 4.47Å; F607-P642 HydrophobicContact CZ-CB 3.6Å; F607-P642 HydrophobicContact CZ-CG 3.74Å; A632-P642 HydrophobicContact CB-CB 4.37Å; F636-P642 HydrophobicContact CB-CB 4.05Å; F636-P642 HydrophobicContact CB-CG 3.93Å; F636-P642 HydrophobicContact CD2-CG 4.09Å; F636-P642 HydrophobicContact CG-CG 4.26Å; P642-W662 HydrophobicContact CG-CD2 4.21Å; P642-W662 HydrophobicContact CG-CE3 4.31Å; P642-W662 HydrophobicContact CG-CH2 3.55Å; P642-W662 HydrophobicContact CG-CZ2 3.42Å; P642-W662 VanDerWaalsContact CG-CZ2 3.42Å; P642-W662 HydrophobicContact CG-CZ3 4Å
643N71Confident70.3Confident77 Ų7755 Ų5541%0.41228%0.284SS..  trans-66.2133.5179.6-171.5-15.6000112.1D635 I645D635-N643 HydrophobicContact CB-CB 4.19Å; D635-N643 WeakPolarHBondContact OD2-CB 3.28Å; D635-N643 PolarHBondContact OD2-ND2 3.2Å; N643-I645 PolarHBondContact O-N 3.16Å
644L58.8Low69.1Low30 Ų3056.5 Ų56.516%0.15729%0.294CS..SBendtrans-67.4-35-166.2178.865.1000114.5Y599 M646 F647 A648 I655Y599-L644 HydrophobicContact CE1-CD1 3.63Å; Y599-L644 WeakPolarHBondContact OH-CA 3.23Å; L644-M646 VanDerWaalsContact C-N 3.3Å; L644-M646 PolarHBondContact O-N 2.86Å; L644-M646 VanDerWaalsContact O-N 3.08Å; L644-F647 PolarHBondContact O-N 3.42Å; L644-F647 VanDerWaalsContact O-N 3.09Å; L644-A648 HydrophobicContact CD1-CB 4.03Å; L644-A648 PolarHBondContact O-N 2.8Å; L644-I655 HydrophobicContact CD2-CD1 3.51Å; L644-I655 HydrophobicContact CD2-CG1 3.65Å
645I59.3Low68.2Low118 Ų11858 Ų5861%0.60530%0.303SS*.THydrogen-bonded Turntrans-56.7-37.6-155.2-64.5172.1000113.4N643N643-I645 PolarHBondContact O-N 3.16Å
646M62.4Low67.7Low21 Ų2163.7 Ų63.710%0.10333%0.325CS..THydrogen-bonded Turntrans-80.4-31.4-177.1-164.2-166.164.500113.8Q628 A629 L644Q628-M646 HydrophobicContact CB-CB 4.11Å; Q628-M646 HydrophobicContact CB-CG 3.88Å; Q628-M646 HydrophobicContact CB-SD 3.52Å; Q628-M646 VanDerWaalsContact CB-SD 3.52Å; A629-M646 HydrophobicContact CB-CE 3.68Å; A629-M646 HydrophobicContact CB-SD 3.88Å; A629-M646 PolarHBondContact N-SD 3.23Å; L644-M646 VanDerWaalsContact C-N 3.3Å; L644-M646 PolarHBondContact O-N 2.86Å; L644-M646 VanDerWaalsContact O-N 3.08Å
647F63Low67.3Low6 Ų668.7 Ų68.73%0.02636%0.356CS..THydrogen-bonded Turntrans-93.3-36.5-168.9-69.8-70.1000114A595 T596 Y599 F607 C611 A632 L644A595-F647 HydrophobicContact CB-CD1 4.15Å; A595-F647 HydrophobicContact CB-CE1 3.49Å; A595-F647 VanDerWaalsContact CB-CE1 3.49Å; A595-F647 HydrophobicContact CB-CZ 4.35Å; T596-F647 WeakPolarHBondContact CG2-O 3.25Å; T596-F647 PolarHBondContact OG1-O 3.07Å; Y599-F647 HydrophobicContact CD1-CB 4.06Å; Y599-F647 HydrophobicContact CD2-CD2 4.23Å; Y599-F647 HydrophobicContact CG-CB 4.06Å; Y599-F647 HydrophobicContact CG-CD2 4.38Å; Y599-F647 HydrophobicContact CG-CG 4.33Å; F607-F647 AromaticContact CE2-CD2 3.83Å; F607-F647 HydrophobicContact CE2-CD2 3.83Å; F607-F647 HydrophobicContact CE2-CE1 4.13Å; F607-F647 AromaticContact CE2-CE2 3.36Å; F607-F647 HydrophobicContact CE2-CE2 3.36Å; F607-F647 HydrophobicContact CE2-CG 4.39Å; F607-F647 AromaticContact CE2-CZ 3.51Å; F607-F647 HydrophobicContact CE2-CZ 3.51Å; F607-F647 HydrophobicContact CZ-CD2 4.18Å; F607-F647 AromaticContact CZ-CE2 3.47Å; F607-F647 HydrophobicContact CZ-CE2 3.47Å; F607-F647 VanDerWaalsContact CZ-CE2 3.47Å; F607-F647 AromaticContact CZ-CZ 3.86Å; F607-F647 HydrophobicContact CZ-CZ 3.86Å; C611-F647 VanDerWaalsContact SG-CZ 3.55Å; A632-F647 HydrophobicContact CB-CE2 3.73Å; L644-F647 PolarHBondContact O-N 3.42Å; L644-F647 VanDerWaalsContact O-N 3.09Å
648A60.1Low67Low4 Ų469.2 Ų69.23%0.03336%0.359CS..  trans-14967-174.900000112.7L600 L644 E650 L651L600-A648 HydrophobicContact CD2-CB 3.91Å; L644-A648 HydrophobicContact CD1-CB 4.03Å; L644-A648 PolarHBondContact O-N 2.8Å; A648-E650 PolarHBondContact O-N 3.46Å; A648-E650 VanDerWaalsContact O-N 3.15Å; A648-L651 HydrophobicContact CB-CB 4.43Å
649P56.2Low66.9Low99 Ų9967.9 Ų67.964%0.64335%0.354SS*.THydrogen-bonded Turntrans-68.5-7.6179.629.8-36.8000114.5
650E58.4Low67Low165 Ų16567.6 Ų67.677%0.77135%0.349SS*.THydrogen-bonded Turntrans-920.7-175.5-58178.5157.100113.8A648A648-E650 PolarHBondContact O-N 3.46Å; A648-E650 VanDerWaalsContact O-N 3.15Å
651L59.4Low67.3Low35 Ų3568.5 Ų68.518%0.18336%0.359CS..  trans-126.451-155.3-125.170000115.7L600 A648 H653 T654L600-L651 HydrophobicContact CD2-CD2 3.91Å; A648-L651 HydrophobicContact CB-CB 4.43Å; L651-H653 VanDerWaalsContact C-N 3.27Å; L651-H653 PolarHBondContact O-N 3.37Å; L651-T654 VanDerWaalsContact CD2-OG1 3.31Å; L651-T654 WeakPolarHBondContact CD2-OG1 3.22Å; L651-T654 VanDerWaalsContact CG-OG1 3.25Å; L651-T654 WeakPolarHBondContact CG-OG1 3.2Å; L651-T654 PolarHBondContact O-N 3.38Å; L651-T654 PolarHBondContact O-OG1 2.81Å; L651-T654 VanDerWaalsContact O-OG1 3.1Å
652D55.7Low67.7Low123 Ų12367.8 Ų67.866%0.65836%0.355SS*.G310 helixtrans-50.1-39.5178.4-83.4-20.1000114.7T654 I655D652-T654 PolarHBondContact O-N 2.88Å; D652-I655 WeakPolarHBondContact O-CG1 3.47Å
653H56.8Low67.9Low185 Ų18574 Ų7486%0.85638%0.378SS*.G310 helixtrans-83.1-13-164.1-52.2-10.4000113.6L651L651-H653 VanDerWaalsContact C-N 3.27Å; L651-H653 PolarHBondContact O-N 3.37Å
654T62.4Low68.4Low45 Ų4575.9 Ų75.928%0.27638%0.382SS..G310 helixtrans-106-6.1-172.543.10000114.3L651 D652 K656 T657 I658L651-T654 VanDerWaalsContact CD2-OG1 3.31Å; L651-T654 WeakPolarHBondContact CD2-OG1 3.22Å; L651-T654 VanDerWaalsContact CG-OG1 3.25Å; L651-T654 WeakPolarHBondContact CG-OG1 3.2Å; L651-T654 PolarHBondContact O-N 3.38Å; L651-T654 PolarHBondContact O-OG1 2.81Å; L651-T654 VanDerWaalsContact O-OG1 3.1Å; D652-T654 PolarHBondContact O-N 2.88Å; T654-K656 PolarHBondContact O-N 3.32Å; T654-T657 WeakPolarHBondContact O-CB 3.3Å; T654-T657 PolarHBondContact O-N 2.84Å; T654-I658 PolarHBondContact O-N 2.87Å; T654-I658 VanDerWaalsContact O-N 3.13Å
655I69Low69.4Low51 Ų5178.5 Ų78.526%0.26239%0.394SS..Hα-helixtrans-51.4-53.2-169.2-57.7176.5000111.7L644 D652 T657 I658 E659L644-I655 HydrophobicContact CD2-CD1 3.51Å; L644-I655 HydrophobicContact CD2-CG1 3.65Å; D652-I655 WeakPolarHBondContact O-CG1 3.47Å; I655-T657 VanDerWaalsContact C-N 3.28Å; I655-T657 PolarHBondContact O-N 2.9Å; I655-I658 WeakPolarHBondContact O-CB 3.43Å; I655-I658 PolarHBondContact O-N 3.01Å; I655-E659 HydrophobicContact CG2-CG 4.28Å; I655-E659 WeakPolarHBondContact O-CG 3.33Å; I655-E659 PolarHBondContact O-N 3.33Å
656K72.6Confident70.2Confident166 Ų16674.3 Ų74.372%0.72237%0.372SS*.Hα-helixtrans-58.3-37.2-179.9-68.3-172.9176.8-176.30113.5T654 I658 E659 D660T654-K656 PolarHBondContact O-N 3.32Å; K656-I658 VanDerWaalsContact C-N 3.33Å; K656-E659 PolarHBondContact O-N 2.85Å; K656-D660 VanDerWaalsContact O-CB 3.28Å; K656-D660 WeakPolarHBondContact O-CB 3.42Å; K656-D660 PolarHBondContact O-N 2.89Å
657T77.1Confident70.9Confident107 Ų10777.4 Ų77.466%0.65639%0.389SS*.Hα-helixtrans-69-34.6178.7-48.90000111.5T654 I655 G661T654-T657 WeakPolarHBondContact O-CB 3.3Å; T654-T657 PolarHBondContact O-N 2.84Å; I655-T657 VanDerWaalsContact C-N 3.28Å; I655-T657 PolarHBondContact O-N 2.9Å; T657-G661 PolarHBondContact O-N 3.1Å; T657-G661 VanDerWaalsContact O-N 3.11Å
658I75.4Confident71.6Confident13 Ų1380 Ų807%0.06741%0.406CS..Hα-helixtrans-70.3-48.1174.6-63.5157.9000109.7Y599 L600 T654 I655 K656 D660 G661 W662Y599-I658 HydrophobicContact CE1-CG2 4.02Å; L600-I658 HydrophobicContact CD2-CD1 3.67Å; L600-I658 HydrophobicContact CD2-CG1 4.47Å; T654-I658 PolarHBondContact O-N 2.87Å; T654-I658 VanDerWaalsContact O-N 3.13Å; I655-I658 WeakPolarHBondContact O-CB 3.43Å; I655-I658 PolarHBondContact O-N 3.01Å; K656-I658 VanDerWaalsContact C-N 3.33Å; I658-D660 VanDerWaalsContact C-N 3.34Å; I658-D660 PolarHBondContact O-N 3.45Å; I658-G661 WeakPolarHBondContact O-CA 3.36Å; I658-G661 PolarHBondContact O-N 3.35Å; I658-W662 VanDerWaalsContact O-CD1 3.28Å; I658-W662 PolarHBondContact O-N 3.12Å
659E79Confident72.1Confident73 Ų7381.9 Ų81.934%0.34142%0.415SS..Hα-helixtrans-55.6-46.7175-68.5-179.5152.500112.2V641 I655 K656 G661 W662 R663V641-E659 HydrophobicContact CG1-CG 4.27Å; I655-E659 HydrophobicContact CG2-CG 4.28Å; I655-E659 WeakPolarHBondContact O-CG 3.33Å; I655-E659 PolarHBondContact O-N 3.33Å; K656-E659 PolarHBondContact O-N 2.85Å; E659-G661 VanDerWaalsContact C-N 3.27Å; E659-G661 PolarHBondContact O-N 3.13Å; E659-W662 PolarHBondContact O-N 2.84Å; E659-R663 WeakPolarHBondContact O-CG 3.41Å; E659-R663 PolarHBondContact O-N 3.39Å
660D80Confident72.7Confident81 Ų8180.3 Ų80.343%0.43340%0.4SS..Hα-helixtrans-57.5-39.1173.8-107.330.1000112.5K656 I658 K664K656-D660 VanDerWaalsContact O-CB 3.28Å; K656-D660 WeakPolarHBondContact O-CB 3.42Å; K656-D660 PolarHBondContact O-N 2.89Å; I658-D660 VanDerWaalsContact C-N 3.34Å; I658-D660 PolarHBondContact O-N 3.45Å; D660-K664 WeakPolarHBondContact O-CB 3.46Å; D660-K664 WeakPolarHBondContact O-CD 3.34Å; D660-K664 WeakPolarHBondContact O-CG 3.41Å; D660-K664 PolarHBondContact O-N 2.86Å; D660-K664 VanDerWaalsContact O-N 3.09Å; D660-K664 IonicContact OD2-NZ 3.83Å; D660-K664 PolarHBondContact OD2-NZ 3.31Å
661G82.4Confident72.9Confident22 Ų2278.1 Ų78.123%0.22739%0.389CS..Hα-helixtrans-65.4-47.7175.700000112T657 I658 E659 R663 K664 Q665T657-G661 PolarHBondContact O-N 3.1Å; T657-G661 VanDerWaalsContact O-N 3.11Å; I658-G661 WeakPolarHBondContact O-CA 3.36Å; I658-G661 PolarHBondContact O-N 3.35Å; E659-G661 VanDerWaalsContact C-N 3.27Å; E659-G661 PolarHBondContact O-N 3.13Å; G661-R663 PolarHBondContact O-N 2.89Å; G661-K664 PolarHBondContact O-N 2.93Å; G661-Q665 WeakPolarHBondContact O-CB 3.39Å; G661-Q665 VanDerWaalsContact O-CG 3.31Å; G661-Q665 WeakPolarHBondContact O-CG 3.32Å; G661-Q665 PolarHBondContact O-N 3.5Å
662W85Confident72.8Confident1 Ų182.7 Ų82.70%0.00441%0.41CS..Hα-helixtrans-60.8-43.1176.1-82.398000112.3Y599 A602 P604 F607 F636 V641 P642 I658 E659 Q665 L666Y599-W662 AromaticContact CD2-CZ2 3.99Å; Y599-W662 HydrophobicContact CD2-CZ2 3.99Å; Y599-W662 PolarHBondContact O-NE1 2.81Å; A602-W662 HydrophobicContact CB-CB 4.27Å; A602-W662 HydrophobicContact CB-CD2 3.84Å; A602-W662 HydrophobicContact CB-CG 3.65Å; P604-W662 HydrophobicContact CB-CH2 4.43Å; P604-W662 HydrophobicContact CB-CZ3 3.8Å; P604-W662 HydrophobicContact CG-CE3 4.04Å; P604-W662 HydrophobicContact CG-CH2 4.43Å; P604-W662 HydrophobicContact CG-CZ3 3.62Å; F607-W662 HydrophobicContact CB-CH2 3.96Å; F607-W662 HydrophobicContact CB-CZ2 4.45Å; F607-W662 AromaticContact CD1-CH2 3.71Å; F607-W662 HydrophobicContact CD1-CH2 3.71Å; F607-W662 HydrophobicContact CD1-CZ2 4.34Å; F607-W662 HydrophobicContact CD2-CH2 4.49Å; F607-W662 HydrophobicContact CD2-CZ2 4.41Å; F607-W662 HydrophobicContact CE1-CH2 4.32Å; F607-W662 AromaticContact CG-CH2 3.8Å; F607-W662 HydrophobicContact CG-CH2 3.8Å; F607-W662 HydrophobicContact CG-CZ2 4.15Å; F636-W662 AromaticContact CD2-CE3 3.79Å; F636-W662 HydrophobicContact CD2-CE3 3.79Å; F636-W662 HydrophobicContact CD2-CH2 4.42Å; F636-W662 AromaticContact CD2-CZ3 3.56Å; F636-W662 HydrophobicContact CD2-CZ3 3.56Å; F636-W662 AromaticContact CE2-CE3 3.47Å; F636-W662 HydrophobicContact CE2-CE3 3.47Å; F636-W662 VanDerWaalsContact CE2-CE3 3.47Å; F636-W662 HydrophobicContact CE2-CH2 4.48Å; F636-W662 AromaticContact CE2-CZ3 3.32Å; F636-W662 HydrophobicContact CE2-CZ3 3.32Å; F636-W662 HydrophobicContact CG-CZ3 4.36Å; F636-W662 HydrophobicContact CZ-CE3 4.4Å; F636-W662 AromaticContact CZ-CZ3 3.94Å; F636-W662 HydrophobicContact CZ-CZ3 3.94Å; V641-W662 HydrophobicContact CG2-CB 4.16Å; P642-W662 HydrophobicContact CG-CD2 4.21Å; P642-W662 HydrophobicContact CG-CE3 4.31Å; P642-W662 HydrophobicContact CG-CH2 3.55Å; P642-W662 HydrophobicContact CG-CZ2 3.42Å; P642-W662 VanDerWaalsContact CG-CZ2 3.42Å; P642-W662 HydrophobicContact CG-CZ3 4Å; I658-W662 VanDerWaalsContact O-CD1 3.28Å; I658-W662 PolarHBondContact O-N 3.12Å; E659-W662 PolarHBondContact O-N 2.84Å; W662-Q665 PolarHBondContact O-N 3.07Å; W662-L666 WeakPolarHBondContact O-CB 3.47Å; W662-L666 PolarHBondContact O-N 2.85Å
663R81.1Confident72.9Confident131 Ų13178.4 Ų78.449%0.49439%0.388SS..Hα-helixtrans-61.4-50175.8-70176.8-168.8-68.1-5.2111.9E659 G661 Q665 L666 D667E659-R663 WeakPolarHBondContact O-CG 3.41Å; E659-R663 PolarHBondContact O-N 3.39Å; G661-R663 PolarHBondContact O-N 2.89Å; R663-Q665 VanDerWaalsContact C-N 3.28Å; R663-Q665 PolarHBondContact O-N 3.28Å; R663-L666 WeakPolarHBondContact O-CB 3.32Å; R663-L666 PolarHBondContact O-N 2.69Å; R663-L666 VanDerWaalsContact O-N 3.13Å; R663-D667 VanDerWaalsContact O-CG 3.29Å; R663-D667 PolarHBondContact O-N 3.42Å
664K82.7Confident72.7Confident118 Ų11872.6 Ų72.651%0.51337%0.368SS..Hα-helixtrans-59.6-36.5177.8-70.9159.5-165.1152.70112.7D660 G661 V668D660-K664 WeakPolarHBondContact O-CB 3.46Å; D660-K664 WeakPolarHBondContact O-CD 3.34Å; D660-K664 WeakPolarHBondContact O-CG 3.41Å; D660-K664 PolarHBondContact O-N 2.86Å; D660-K664 VanDerWaalsContact O-N 3.09Å; D660-K664 IonicContact OD2-NZ 3.83Å; D660-K664 PolarHBondContact OD2-NZ 3.31Å; G661-K664 PolarHBondContact O-N 2.93Å; K664-V668 WeakPolarHBondContact O-CG2 3.34Å; K664-V668 PolarHBondContact O-N 2.93Å; K664-V668 VanDerWaalsContact O-N 3.17Å
665Q79.2Confident71.9Confident84 Ų8474.9 Ų74.939%0.39338%0.379SS..Hα-helixtrans-75.6-33.2177.6-70.6-73.7-12.500112.4A602 P604 G661 W662 R663 V668 L669A602-Q665 HydrophobicContact CB-CG 4.49Å; A602-Q665 WeakPolarHBondContact O-CG 3.37Å; P604-Q665 HydrophobicContact CG-CB 4.44Å; G661-Q665 WeakPolarHBondContact O-CB 3.39Å; G661-Q665 VanDerWaalsContact O-CG 3.31Å; G661-Q665 WeakPolarHBondContact O-CG 3.32Å; G661-Q665 PolarHBondContact O-N 3.5Å; W662-Q665 PolarHBondContact O-N 3.07Å; R663-Q665 VanDerWaalsContact C-N 3.28Å; R663-Q665 PolarHBondContact O-N 3.28Å; Q665-V668 PolarHBondContact O-N 3.18Å; Q665-L669 WeakPolarHBondContact O-CG 3.32Å; Q665-L669 PolarHBondContact O-N 2.86Å; Q665-L669 VanDerWaalsContact O-N 3.12Å
666L77Confident70.5Confident30 Ų3076 Ų7616%0.15740%0.395CS..Hα-helixtrans-63.3-46.7168.5-176.161.3000110.8W662 R663 V668 L669 M670 C709 I849W662-L666 WeakPolarHBondContact O-CB 3.47Å; W662-L666 PolarHBondContact O-N 2.85Å; R663-L666 WeakPolarHBondContact O-CB 3.32Å; R663-L666 PolarHBondContact O-N 2.69Å; R663-L666 VanDerWaalsContact O-N 3.13Å; L666-V668 VanDerWaalsContact C-N 3.27Å; L666-V668 PolarHBondContact O-N 2.84Å; L666-L669 CarbonylContact O-C 3.55Å; L666-L669 WeakPolarHBondContact O-CA 3.4Å; L666-L669 WeakPolarHBondContact O-CB 3.48Å; L666-L669 PolarHBondContact O-N 3.37Å; L666-M670 VanDerWaalsContact O-CG 3.3Å; L666-M670 WeakPolarHBondContact O-CG 3.5Å; L666-M670 PolarHBondContact O-N 3.04Å; L666-C709 HydrophobicContact CD1-CB 4.12Å; L666-I849 HydrophobicContact CD1-CD1 3.68Å; L666-I849 HydrophobicContact CD1-CG1 4.3Å; L666-I849 HydrophobicContact CD2-CD1 3.93Å; L666-I849 HydrophobicContact CG-CD1 4.49Å
667D76.4Confident68.6Low86 Ų8675.5 Ų75.546%0.4640%0.395SS..Hα-helixtrans-57.7-37.2177.6-64.7-34.7000112.6R663 M670 Q671R663-D667 VanDerWaalsContact O-CG 3.29Å; R663-D667 PolarHBondContact O-N 3.42Å; D667-M670 WeakPolarHBondContact O-CB 3.39Å; D667-M670 PolarHBondContact O-N 3.01Å; D667-Q671 VanDerWaalsContact O-CG 3.31Å; D667-Q671 WeakPolarHBondContact O-CG 3.26Å; D667-Q671 PolarHBondContact O-N 3.44Å; D667-Q671 VanDerWaalsContact O-N 3.09Å
668V78Confident66.3Low61 Ų6173.8 Ų73.837%0.3739%0.387SS..Hα-helixtrans-66-42.2173.1167.90000111.6K664 Q665 L666 Q671 H672K664-V668 WeakPolarHBondContact O-CG2 3.34Å; K664-V668 PolarHBondContact O-N 2.93Å; K664-V668 VanDerWaalsContact O-N 3.17Å; Q665-V668 PolarHBondContact O-N 3.18Å; L666-V668 VanDerWaalsContact C-N 3.27Å; L666-V668 PolarHBondContact O-N 2.84Å; V668-Q671 PolarHBondContact O-N 3.4Å; V668-H672 PolarHBondContact O-CD2 3.24Å; V668-H672 PolarHBondContact O-N 3.18Å; V668-H672 VanDerWaalsContact O-N 3.1Å
669L69.8Low64Low43 Ų4380.2 Ų80.223%0.22542%0.422CS..Hα-helixtrans-66.4-35.5175.3-68.7166.2000112.3P604 Q665 L666 T673 I711P604-L669 HydrophobicContact CB-CD1 4.31Å; P604-L669 HydrophobicContact CG-CD1 4.06Å; Q665-L669 WeakPolarHBondContact O-CG 3.32Å; Q665-L669 PolarHBondContact O-N 2.86Å; Q665-L669 VanDerWaalsContact O-N 3.12Å; L666-L669 CarbonylContact O-C 3.55Å; L666-L669 WeakPolarHBondContact O-CA 3.4Å; L666-L669 WeakPolarHBondContact O-CB 3.48Å; L666-L669 PolarHBondContact O-N 3.37Å; L669-T673 PolarHBondContact O-N 3.27Å; L669-T673 VanDerWaalsContact O-N 3.07Å; L669-T673 PolarHBondContact O-OG1 2.89Å; L669-I711 HydrophobicContact CD1-CD1 4.15Å; L669-I711 HydrophobicContact CD1-CG1 4.2Å
670M68.8Low61.5Low66 Ų6683 Ų8333%0.32544%0.444SS..Hα-helixtrans-58.6-49.9171.4-62.4-72-56.500110.7L666 D667 H672 T673 S674 K708 C709L666-M670 VanDerWaalsContact O-CG 3.3Å; L666-M670 WeakPolarHBondContact O-CG 3.5Å; L666-M670 PolarHBondContact O-N 3.04Å; D667-M670 WeakPolarHBondContact O-CB 3.39Å; D667-M670 PolarHBondContact O-N 3.01Å; M670-H672 PolarHBondContact O-N 2.73Å; M670-T673 WeakPolarHBondContact O-CA 3.48Å; M670-T673 WeakPolarHBondContact O-CB 3.19Å; M670-T673 PolarHBondContact O-N 3.32Å; M670-S674 PolarHBondContact O-N 3.42Å; M670-S674 PolarHBondContact O-OG 3.45Å; M670-K708 HydrophobicContact CE-CB 4.26Å; M670-K708 WeakPolarHBondContact CE-O 3.48Å; M670-K708 HydrophobicContact SD-CB 4.18Å; M670-C709 HydrophobicContact SD-CB 3.77Å
671Q63.8Low58.9Low119 Ų11983.1 Ų83.156%0.55646%0.456SS*.Hα-helixtrans-63.1-37.9-178.8-70.8168.131.500112.9D667 V668 T673 S674 N675D667-Q671 VanDerWaalsContact O-CG 3.31Å; D667-Q671 WeakPolarHBondContact O-CG 3.26Å; D667-Q671 PolarHBondContact O-N 3.44Å; D667-Q671 VanDerWaalsContact O-N 3.09Å; V668-Q671 PolarHBondContact O-N 3.4Å; Q671-T673 VanDerWaalsContact C-N 3.31Å; Q671-S674 PolarHBondContact O-OG 3.23Å; Q671-S674 VanDerWaalsContact O-OG 3.05Å; Q671-N675 VanDerWaalsContact O-CG 3.22Å; Q671-N675 PolarHBondContact O-N 2.75Å; Q671-N675 PolarHBondContact O-OD1 2.72Å
672H57.9Low56.2Low131 Ų13190.1 Ų90.161%0.60648%0.482SS*.Hα-helixtrans-67-32.3172.2-77.1-62.7000112.7V668 M670 A676V668-H672 PolarHBondContact O-CD2 3.24Å; V668-H672 PolarHBondContact O-N 3.18Å; V668-H672 VanDerWaalsContact O-N 3.1Å; M670-H672 PolarHBondContact O-N 2.73Å; H672-A676 PolarHBondContact O-N 3.06Å
673T56.1Low53.2Low33 Ų3398.4 Ų98.420%0.20253%0.527CS..Hα-helixtrans-71.5-44.2177.4-52.10000111.5L669 M670 Q671 N675 A676L669-T673 PolarHBondContact O-N 3.27Å; L669-T673 VanDerWaalsContact O-N 3.07Å; L669-T673 PolarHBondContact O-OG1 2.89Å; M670-T673 WeakPolarHBondContact O-CA 3.48Å; M670-T673 WeakPolarHBondContact O-CB 3.19Å; M670-T673 PolarHBondContact O-N 3.32Å; Q671-T673 VanDerWaalsContact C-N 3.31Å; T673-N675 PolarHBondContact O-N 3.14Å; T673-A676 PolarHBondContact O-N 3.42Å
674S53.5Low50.5Low63 Ų6399.9 Ų99.944%0.44154%0.539SS..Hα-helixtrans-64.9-39.4179.756.30000113.3M670 Q671 A676 H677 S678M670-S674 PolarHBondContact O-N 3.42Å; M670-S674 PolarHBondContact O-OG 3.45Å; Q671-S674 PolarHBondContact O-OG 3.23Å; Q671-S674 VanDerWaalsContact O-OG 3.05Å; S674-A676 VanDerWaalsContact C-N 3.35Å; S674-A676 PolarHBondContact O-N 3.4Å; S674-H677 PolarHBondContact O-N 3.25Å; S674-S678 PolarHBondContact O-OG 3.23Å
675N45.3Very low47.7Very low94 Ų9499.3 Ų99.350%0.50355%0.55SS..Hα-helixtrans-69.8-34.4-177.2-66.24.7000111.6Q671 T673 H677 S678Q671-N675 VanDerWaalsContact O-CG 3.22Å; Q671-N675 PolarHBondContact O-N 2.75Å; Q671-N675 PolarHBondContact O-OD1 2.72Å; T673-N675 PolarHBondContact O-N 3.14Å; N675-H677 PolarHBondContact O-N 2.87Å; N675-H677 VanDerWaalsContact O-N 3.14Å; N675-S678 WeakPolarHBondContact O-CB 3.02Å; N675-S678 PolarHBondContact O-N 3.35Å
676A38.5Very low45Very low73 Ų73100.6 Ų100.660%0.60358%0.575SS**Hα-helixtrans-61-22.5176.800000113.9H672 T673 S674H672-A676 PolarHBondContact O-N 3.06Å; T673-A676 PolarHBondContact O-N 3.42Å; S674-A676 VanDerWaalsContact C-N 3.35Å; S674-A676 PolarHBondContact O-N 3.4Å
677H33.7Very low42.6Very low157 Ų157104.4 Ų104.473%0.72761%0.605SS**THydrogen-bonded Turntrans-87.5-8173.7-78.2-75.9000114.2S674 N675S674-H677 PolarHBondContact O-N 3.25Å; N675-H677 PolarHBondContact O-N 2.87Å; N675-H677 VanDerWaalsContact O-N 3.14Å
678S29.5Very low40Very low70 Ų70109.3 Ų109.349%0.4963%0.625SS.*THydrogen-bonded Turntrans-94.4-37.2-172.9-58.10000113.6S674 N675 V680 A681S674-S678 PolarHBondContact O-OG 3.23Å; N675-S678 WeakPolarHBondContact O-CB 3.02Å; N675-S678 PolarHBondContact O-N 3.35Å; S678-V680 PolarHBondContact O-N 3.31Å; S678-A681 PolarHBondContact O-N 2.97Å
679D26.3Very low37.4Very low149 Ų149114.2 Ų114.280%0.79765%0.649SS**THydrogen-bonded Turntrans-73.711.9-166.2-72.2-18.8000116
680V27.1Very low35.1Very low132 Ų132121 Ų12180%0.868%0.677SS**THydrogen-bonded Turntrans-104.9-11.2-179.8-171.90000112.5S678S678-V680 PolarHBondContact O-N 3.31Å
681A25.1Very low33Very low83 Ų83123.3 Ų123.369%0.68669%0.694SS**SBendtrans-98.596.1-175.300000113.7S678S678-A681 PolarHBondContact O-N 2.97Å
682H25Very low31.1Very low168 Ų168124.7 Ų124.778%0.77871%0.705SS**  trans4599.8155.3-69.9-90.9000119.5E684H682-E684 PolarHBondContact O-N 3.03Å; H682-E684 VanDerWaalsContact O-N 3.13Å
683N22.4Very low29.6Very low175 Ų175124.9 Ų124.994%0.93671%0.709SS**  trans-6796.5146.8-84.5-65.7000109.8
684E24.9Very low28Very low163 Ų163132.3 Ų132.376%0.76274%0.741SS**  trans-151.1123.5162.7-134.6159.5-137.100114.1H682H682-E684 PolarHBondContact O-N 3.03Å; H682-E684 VanDerWaalsContact O-N 3.13Å
685S24Very low26.6Very low105 Ų105137.8 Ų137.873%0.73476%0.757SS**  trans35.7106.716556.50000119.7S687S685-S687 PolarHBondContact O-N 3.17Å
686A21.9Very low25.5Very low112 Ų112142 Ų14293%0.92677%0.771SS**  trans-70.6123.2158.300000111.2
687S25.7Very low24.7Very low110 Ų110144.2 Ų144.277%0.76978%0.782SS**  trans-146.2119.416263.80000110.2S685 N689S685-S687 PolarHBondContact O-N 3.17Å; S687-N689 PolarHBondContact O-N 2.85Å
688E22Very low24.3Very low189 Ų189145.5 Ų145.588%0.88379%0.789SS**  trans-65.2129.3177.6-56.9168.4119.600110.6
689N24.3Very low23.8Very low164 Ų164147.8 Ų147.888%0.87781%0.805SS**  trans-158.8138.7149.1-107.1-55.3000111.7S687S687-N689 PolarHBondContact O-N 2.85Å
690K21.2Very low23.6Very low186 Ų186145.5 Ų145.581%0.80980%0.8SS**  trans-112.3106.4-170.6177.9-174.5176.9-177.70109.4
691V25.3Very low23.4Very low113 Ų113145.4 Ų145.469%0.68580%0.8SS**  trans-138.7116.1175.6-173.80000109.8I693V691-I693 HydrophobicContact CG1-CD1 4.32Å; V691-I693 HydrophobicContact CG1-CG1 4.02Å; V691-I693 PolarHBondContact O-N 2.9Å
692D23.4Very low23.4Very low149 Ų149147.6 Ų147.680%0.79780%0.8SS**  trans-73.1121.8173.1-54.5-78.3000110.3
693I26.5Very low23.5Very low134 Ų134144 Ų14469%0.68780%0.795SS**  trans-132.7100.3171.2-56.9-176000109.9V691 K695V691-I693 HydrophobicContact CG1-CD1 4.32Å; V691-I693 HydrophobicContact CG1-CG1 4.02Å; V691-I693 PolarHBondContact O-N 2.9Å; I693-K695 HydrophobicContact CG2-CD 4.5Å; I693-K695 PolarHBondContact O-N 3.38Å
694E22.4Very low23.7Very low189 Ų189144.2 Ų144.288%0.88379%0.789SS**  trans-66120.3160.6-61.6-177.9136.400109.9
695K24.3Very low24.2Very low178 Ų178144.1 Ų144.177%0.77479%0.787SS**  trans-163.1116.9154.4-109.3139.4-168.41670114.6I693I693-K695 HydrophobicContact CG2-CD 4.5Å; I693-K695 PolarHBondContact O-N 3.38Å
696K21.8Very low24.8Very low182 Ų182141.5 Ų141.579%0.79178%0.776SS**  trans53.399143.1-62.5-172.4175.2-171.50117.7Q698K696-Q698 PolarHBondContact O-N 3Å
697S22.2Very low26.1Very low120 Ų120140.6 Ų140.684%0.83975%0.753SS**  trans-16.3117.6135.954.90000115.6
698Q24.2Very low27.5Very low185 Ų185139 Ų13986%0.86473%0.732SS**  trans-123.8124.3150.3-71.7-171.3-72.200107.9K696 S700K696-Q698 PolarHBondContact O-N 3Å; Q698-S700 PolarHBondContact O-N 3Å
699S20.1Very low29.6Very low118 Ų118130 Ų13083%0.82569%0.69SS**  trans-86.599.5-174.351.90000111.1
700S22.1Very low31.8Very low100 Ų100126.5 Ų126.570%0.69967%0.665SS**  trans-109.292.3157.338.60000107.4Q698 D702Q698-S700 PolarHBondContact O-N 3Å; S700-D702 PolarHBondContact O-N 3.01Å
701T22.8Very low34.7Very low130 Ų130117.9 Ų117.980%0.79863%0.627SS**  trans-81.561.5176.651.70000110.1S703T701-S703 PolarHBondContact O-N 2.63Å; T701-S703 VanDerWaalsContact O-N 3.14Å
702D24.7Very low37.4Very low129 Ų129116 Ų11669%0.6962%0.62SS**  trans-67.1109164.3-75.2-37.7000107.8S700 H704S700-D702 PolarHBondContact O-N 3.01Å; D702-H704 VanDerWaalsContact C-N 3.31Å; D702-H704 PolarHBondContact O-N 3.15Å
703S26.3Very low40.3Very low94 Ų94109.5 Ų109.566%0.65758%0.584SS**  trans-73.282.5-173.458.20000111.1T701 F705T701-S703 PolarHBondContact O-N 2.63Å; T701-S703 VanDerWaalsContact O-N 3.14Å; S703-F705 WeakPolarHBondContact O-CD2 3.5Å; S703-F705 PolarHBondContact O-N 3.1Å
704H27.1Very low43Very low178 Ų178107.3 Ų107.382%0.82457%0.574SS**  trans-59.898166.3-75.2-80.9000108.9D702 G706D702-H704 VanDerWaalsContact C-N 3.31Å; D702-H704 PolarHBondContact O-N 3.15Å; H704-G706 PolarHBondContact O-N 2.78Å; H704-G706 VanDerWaalsContact O-N 3.16Å
705F35.1Very low45.8Very low161 Ų16198.4 Ų98.471%0.70653%0.533SS*.  trans-59.4117.7171.9-80.8-91.5000108.6S703 E707S703-F705 WeakPolarHBondContact O-CD2 3.5Å; S703-F705 PolarHBondContact O-N 3.1Å; F705-E707 PolarHBondContact O-N 3.41Å
706G36.9Very low48.3Very low50 Ų5092.8 Ų92.852%0.51551%0.513SS..  trans-72.287.617900000111.6H704 K708H704-G706 PolarHBondContact O-N 2.78Å; H704-G706 VanDerWaalsContact O-N 3.16Å; G706-K708 PolarHBondContact O-N 2.84Å
707E49.4Very low50.8Low93 Ų9394.3 Ų94.344%0.43551%0.514SS..  trans-66.8119.3162.1-64.6-166.7163.300108.4F705 L850F705-E707 PolarHBondContact O-N 3.41Å; E707-L850 HydrophobicContact CG-CD1 4.28Å
708K56Low53.4Low77 Ų7790.7 Ų90.734%0.33549%0.485SS..  trans-67.5-59.7172.6-85-168.6-176.6161.90110.9M670 G706 E847M670-K708 HydrophobicContact CE-CB 4.26Å; M670-K708 WeakPolarHBondContact CE-O 3.48Å; M670-K708 HydrophobicContact SD-CB 4.18Å; G706-K708 PolarHBondContact O-N 2.84Å; K708-E847 WeakPolarHBondContact CD-O 3.35Å; K708-E847 WeakPolarHBondContact CE-OE1 3.38Å; K708-E847 IonicContact NZ-OE1 3.69Å; K708-E847 PolarHBondContact NZ-OE1 2.91Å; K708-E847 IonicContact NZ-OE2 3.09Å; K708-E847 PolarHBondContact NZ-OE2 3.27Å
709C66.1Low55.8Low1 Ų183.7 Ų83.71%0.00745%0.454CS..EExtended strand (participates in β ladder)trans-147.6138.6-172.3-171.90000111.5L666 M670 I849 L850L666-C709 HydrophobicContact CD1-CB 4.12Å; M670-C709 HydrophobicContact SD-CB 3.77Å; C709-I849 HydrophobicContact CB-CG1 4.37Å; C709-I849 HydrophobicContact CB-CG2 4.31Å; C709-L850 PolarHBondContact O-N 3.31Å
710R70.7Confident58.8Low90 Ų9078.3 Ų78.334%0.3442%0.416SS..EExtended strand (participates in β ladder)trans-119.2106.1177.6-172.2175.2-173.8149.17.6111.1T852R710-T852 PolarHBondContact NE-OG1 3.11Å; R710-T852 PolarHBondContact NH2-OG1 2.72Å; R710-T852 VanDerWaalsContact NH2-OG1 3.07Å
711I81.4Confident61.8Low4 Ų473.5 Ų73.52%0.02138%0.382CS..EExtended strand (participates in β ladder)trans-90.8127.3174.7-61.7171.2000108.2P604 T605 L608 F636 L669 L713 I849 L850 C851 T852P604-I711 HydrophobicContact CB-CD1 4.47Å; T605-I711 HydrophobicContact CG2-CG2 4.36Å; L608-I711 HydrophobicContact CD1-CD1 4.32Å; L608-I711 HydrophobicContact CD1-CG2 4.16Å; F636-I711 HydrophobicContact CE1-CD1 3.63Å; F636-I711 HydrophobicContact CZ-CD1 3.74Å; L669-I711 HydrophobicContact CD1-CD1 4.15Å; L669-I711 HydrophobicContact CD1-CG1 4.2Å; I711-L713 HydrophobicContact CG2-CD2 4.24Å; I711-L713 HydrophobicContact CG2-CG 4.44Å; I711-I849 HydrophobicContact CD1-CG2 3.93Å; I711-I849 HydrophobicContact CG1-CG2 4.36Å; I711-L850 PolarHBondContact N-O 3.39Å; I711-C851 CarbonylContact O-C 3.53Å; I711-C851 WeakPolarHBondContact O-CA 3.47Å; I711-T852 PolarHBondContact O-N 3.23Å
712S82Confident64.8Low75 Ų7567.6 Ų67.652%0.52435%0.345SS..EExtended strand (participates in β ladder)trans-114131.3178.1-61.60000111.2T852S712-T852 CarbonylContact C-O 3.58Å; S712-T852 WeakPolarHBondContact CA-O 3.2Å
713L84.8Confident67.6Low11 Ų1163.8 Ų63.86%0.05832%0.324CS..EExtended strand (participates in β ladder)trans-122.8124.1-179.6-57.4176.5000110.1T605 L608 L612 I711 I715 T852 S854T605-L713 HydrophobicContact CG2-CD2 4.08Å; L608-L713 HydrophobicContact CB-CD1 3.78Å; L608-L713 HydrophobicContact CD1-CD1 4.42Å; L612-L713 HydrophobicContact CD1-CD1 3.95Å; I711-L713 HydrophobicContact CG2-CD2 4.24Å; I711-L713 HydrophobicContact CG2-CG 4.44Å; L713-I715 HydrophobicContact CB-CG2 4.1Å; L713-T852 PolarHBondContact N-O 3.25Å; L713-S854 PolarHBondContact O-N 3.06Å; L713-S854 PolarHBondContact O-OG 3.36Å
714D82.7Confident70.3Confident89 Ų8959.9 Ų59.948%0.47630%0.296SS..EExtended strand (participates in β ladder)trans-77.8116.3161174.519.6000108.2T716D714-T716 WeakPolarHBondContact OD1-CB 3.18Å; D714-T716 PolarHBondContact OD1-N 3.21Å; D714-T716 PolarHBondContact OD1-OG1 3.39Å
715I80.6Confident72.7Confident1 Ų153.3 Ų53.31%0.00527%0.265CS..  trans-111.710.7178.163.6164.4000112.5L713 R717 L718 T720 V853 S854 W855L713-I715 HydrophobicContact CB-CG2 4.1Å; I715-R717 PolarHBondContact O-N 3.41Å; I715-L718 HydrophobicContact CB-CB 4.5Å; I715-L718 HydrophobicContact CG2-CD1 4.32Å; I715-L718 PolarHBondContact O-N 3.23Å; I715-T720 HydrophobicContact CB-CG2 3.93Å; I715-T720 HydrophobicContact CD1-CG2 4.03Å; I715-T720 HydrophobicContact CG2-CG2 4.09Å; I715-V853 HydrophobicContact CD1-CB 3.78Å; I715-V853 HydrophobicContact CD1-CG1 4.36Å; I715-V853 HydrophobicContact CD1-CG2 4.1Å; I715-V853 HydrophobicContact CG1-CB 4.19Å; I715-V853 HydrophobicContact CG2-CB 4.46Å; I715-V853 HydrophobicContact CG2-CG1 4.41Å; I715-S854 WeakPolarHBondContact CG1-O 3.43Å; I715-S854 PolarHBondContact N-O 3.21Å; I715-W855 HydrophobicContact CD1-CD2 4.43Å; I715-W855 HydrophobicContact CD1-CH2 3.72Å; I715-W855 HydrophobicContact CD1-CZ2 3.4Å; I715-W855 VanDerWaalsContact CD1-CZ2 3.4Å; I715-W855 HydrophobicContact CD1-CZ3 4.34Å; I715-W855 HydrophobicContact CG1-CD2 4.33Å; I715-W855 HydrophobicContact CG1-CZ2 4.15Å
716T76.6Confident74.7Confident60 Ų6047.2 Ų47.237%0.36824%0.241SC..THydrogen-bonded Turntrans-56.4-19.5-176.8-50.10000113.7D714 W855 Q856D714-T716 WeakPolarHBondContact OD1-CB 3.18Å; D714-T716 PolarHBondContact OD1-N 3.21Å; D714-T716 PolarHBondContact OD1-OG1 3.39Å; T716-W855 WeakPolarHBondContact OG1-CA 3.39Å; T716-Q856 PolarHBondContact OG1-N 2.96Å
717R74.3Confident76.2Confident215 Ų21545.4 Ų45.481%0.81122%0.221SC*.THydrogen-bonded Turntrans-114.55.5179-61.5-174.3178.3-156.6-2.3114.9I715I715-R717 PolarHBondContact O-N 3.41Å
718L77.9Confident77.2Confident44 Ų4441.8 Ų41.823%0.2320%0.203CC..SBendtrans-112.4139-174.5-58.2-179000110.7I715 T720I715-L718 HydrophobicContact CB-CB 4.5Å; I715-L718 HydrophobicContact CG2-CD1 4.32Å; I715-L718 PolarHBondContact O-N 3.23Å; L718-T720 VanDerWaalsContact C-N 3.29Å; L718-T720 HydrophobicContact CB-CG2 3.77Å; L718-T720 PolarHBondContact O-N 2.82Å; L718-T720 VanDerWaalsContact O-N 3.07Å
719N73.4Confident77.7Confident38 Ų3838.1 Ų38.120%0.20319%0.187CC..  trans-88.670.8177.3-172.551000110.4E613 N618E613-N719 PolarHBondContact OE1-N 3.24Å; N618-N719 WeakPolarHBondContact CB-ND2 3.29Å; N618-N719 PolarHBondContact ND2-ND2 2.93Å; N618-N719 PolarHBondContact OD1-ND2 2.82Å
720T83.8Confident77.4Confident4 Ų438.5 Ų38.53%0.02519%0.189CC..  trans-76.9172.8-174.580.10000113.6L612 I715 L718 I722L612-T720 HydrophobicContact CB-CG2 4.17Å; L612-T720 CarbonylContact O-C 3.53Å; L612-T720 VanDerWaalsContact O-CA 3.27Å; L612-T720 WeakPolarHBondContact O-CA 3.31Å; I715-T720 HydrophobicContact CB-CG2 3.93Å; I715-T720 HydrophobicContact CD1-CG2 4.03Å; I715-T720 HydrophobicContact CG2-CG2 4.09Å; L718-T720 VanDerWaalsContact C-N 3.29Å; L718-T720 HydrophobicContact CB-CG2 3.77Å; L718-T720 PolarHBondContact O-N 2.82Å; L718-T720 VanDerWaalsContact O-N 3.07Å; T720-I722 PolarHBondContact O-N 3.03Å; T720-I722 PolarHBondContact OG1-N 2.88Å; T720-I722 PolarHBondContact OG1-O 2.82Å; T720-I722 VanDerWaalsContact OG1-O 3.08Å
721C84.6Confident76.9Confident0 Ų038 Ų380%020%0.197CC..SBendtrans-67.3-8.1171.460.80000115.7L612 L615 S747 F748 A749L612-C721 PolarHBondContact O-N 3.4Å; L615-C721 HydrophobicContact CB-CB 3.48Å; L615-C721 VanDerWaalsContact CB-CB 3.48Å; L615-C721 WeakPolarHBondContact O-CB 3.47Å; C721-S747 CarbonylContact O-C 3.59Å; C721-S747 WeakPolarHBondContact O-CA 3.07Å; C721-F748 PolarHBondContact O-N 3.08Å; C721-A749 HydrophobicContact CB-CB 4.01Å
722I86.8Confident75.7Confident5 Ų539.8 Ų39.83%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-115.5131.9174.7-54.6-179.1000109.2T720 R746 I753 L831 L833 W855T720-I722 PolarHBondContact O-N 3.03Å; T720-I722 PolarHBondContact OG1-N 2.88Å; T720-I722 PolarHBondContact OG1-O 2.82Å; T720-I722 VanDerWaalsContact OG1-O 3.08Å; I722-R746 WeakPolarHBondContact CA-O 3.29Å; I722-I753 HydrophobicContact CD1-CD1 4Å; I722-I753 HydrophobicContact CG1-CD1 4.27Å; I722-L831 HydrophobicContact CG2-CD1 3.87Å; I722-L833 HydrophobicContact CD1-CD1 3.64Å; I722-L833 HydrophobicContact CD1-CD2 3.76Å; I722-L833 HydrophobicContact CD1-CG 4.37Å; I722-W855 HydrophobicContact CB-CH2 4.4Å; I722-W855 HydrophobicContact CG2-CH2 3.91Å; I722-W855 HydrophobicContact CG2-CZ2 4.41Å
723Q83.3Confident74.5Confident50 Ų5036.4 Ų36.423%0.23418%0.182CC..EExtended strand (participates in β ladder)trans-117.1137.5170.7-69.6-178.8-14.400109.7R746 F748 W938Q723-R746 PolarHBondContact N-O 3Å; Q723-R746 PolarHBondContact O-N 3.28Å; Q723-F748 HydrophobicContact CB-CE2 4.45Å; Q723-F748 HydrophobicContact CG-CE2 3.91Å; Q723-W938 HydrophobicContact CB-CH2 4.33Å; Q723-W938 HydrophobicContact CB-CZ3 3.92Å
724C82.8Confident72.8Confident12 Ų1239.2 Ų39.28%0.08120%0.199CC..EExtended strand (participates in β ladder)trans-128.7138.9-177-1740000110.5F744 L745 I829 W855C724-F744 WeakPolarHBondContact CA-O 3.42Å; C724-L745 HydrophobicContact CB-CD2 3.91Å; C724-L745 VanDerWaalsContact SG-CD2 3.53Å; C724-I829 VanDerWaalsContact SG-CD1 3.56Å; C724-W855 HydrophobicContact CB-CD2 4.03Å; C724-W855 HydrophobicContact CB-CE3 3.97Å; C724-W855 HydrophobicContact CB-CH2 3.69Å; C724-W855 HydrophobicContact CB-CZ2 3.73Å; C724-W855 HydrophobicContact CB-CZ3 3.83Å
725K78.2Confident70.9Confident40 Ų4045.6 Ų45.617%0.17422%0.223CC..EExtended strand (participates in β ladder)trans-141.2151.7178-102.2-171.9165.3-1620109F744 W938K725-F744 HydrophobicContact CB-CB 3.89Å; K725-F744 PolarHBondContact N-O 2.74Å; K725-F744 PolarHBondContact O-N 2.87Å; K725-W938 HydrophobicContact CB-CZ3 4.44Å; K725-W938 HydrophobicContact CD-CD2 3.85Å; K725-W938 HydrophobicContact CD-CE3 3.61Å; K725-W938 HydrophobicContact CD-CG 4.49Å; K725-W938 HydrophobicContact CD-CH2 4.2Å; K725-W938 HydrophobicContact CD-CZ2 4.41Å; K725-W938 HydrophobicContact CD-CZ3 3.79Å; K725-W938 WeakPolarHBondContact CE-O 3.13Å; K725-W938 HydrophobicContact CG-CE3 3.95Å; K725-W938 HydrophobicContact CG-CZ3 3.86Å; K725-W938 VanDerWaalsContact NZ-CA 3.3Å; K725-W938 PolarHBondContact NZ-O 3.1Å
726V75.9Confident69.4Low33 Ų3349.5 Ų49.520%0.226%0.263CS..EExtended strand (participates in β ladder)trans-139.8141.5174.5174.30000110.3L741 A742 V743 V826 I829V726-L741 HydrophobicContact CG1-CD1 3.49Å; V726-L741 VanDerWaalsContact CG1-CD1 3.49Å; V726-L741 HydrophobicContact CG1-CD2 4.03Å; V726-L741 HydrophobicContact CG1-CG 3.82Å; V726-A742 WeakPolarHBondContact CA-O 3.31Å; V726-V743 HydrophobicContact CG2-CB 4.21Å; V726-V743 HydrophobicContact CG2-CG1 3.89Å; V726-V743 HydrophobicContact CG2-CG2 4.02Å; V726-V826 HydrophobicContact CG1-CG2 4Å; V726-I829 HydrophobicContact CB-CD1 4.28Å; V726-I829 HydrophobicContact CG2-CD1 3.3Å; V726-I829 HydrophobicContact CG2-CG1 4.2Å
727C69.7Low68.3Low12 Ų1248.5 Ų48.58%0.08126%0.255CS..EExtended strand (participates in β ladder)trans-149.8163.4163.160.90000110.4A742 F744 P932 V941C727-A742 PolarHBondContact N-O 3.49Å; C727-A742 VanDerWaalsContact N-O 3.1Å; C727-A742 WeakPolarHBondContact O-CA 3.4Å; C727-A742 PolarHBondContact O-N 3.45Å; C727-F744 WeakPolarHBondContact SG-CE2 3.27Å; C727-P932 WeakPolarHBondContact SG-CG 3.38Å; C727-V941 HydrophobicContact CB-CB 3.62Å; C727-V941 HydrophobicContact CB-CG1 3.59Å; C727-V941 HydrophobicContact CB-CG2 4.3Å
728F70Confident67.5Low17 Ų1740.9 Ų40.98%0.07523%0.233CC..EExtended strand (participates in β ladder)trans-83.5140.8170.5-68-105.9000108.1Q730 L741 L815 I824 V826 S943F728-Q730 PolarHBondContact O-N 2.81Å; F728-L741 HydrophobicContact CD1-CD1 3.79Å; F728-L741 HydrophobicContact CD2-CD1 3.56Å; F728-L741 HydrophobicContact CE1-CD1 3.73Å; F728-L741 HydrophobicContact CE2-CD1 3.48Å; F728-L741 VanDerWaalsContact CE2-CD1 3.48Å; F728-L741 HydrophobicContact CG-CD1 3.72Å; F728-L741 HydrophobicContact CZ-CD1 3.58Å; F728-L815 HydrophobicContact CD1-CD1 4.36Å; F728-L815 HydrophobicContact CE1-CD1 3.67Å; F728-I824 HydrophobicContact CZ-CB 4.46Å; F728-I824 HydrophobicContact CZ-CG2 4.17Å; F728-V826 HydrophobicContact CE2-CG2 4.47Å; F728-S943 VanDerWaalsContact CD2-CB 3.43Å; F728-S943 VanDerWaalsContact CG-CB 3.5Å
729S65.8Low67Low0 Ų040.2 Ų40.20%023%0.231CC..SBendtrans-60.5-22.2-168.297.10000114Y733 Q740 E930 F931 P932S729-Y733 WeakPolarHBondContact CA-OH 3.31Å; S729-Y733 WeakPolarHBondContact CB-OH 3.25Å; S729-Y733 PolarHBondContact N-OH 2.71Å; S729-Y733 WeakPolarHBondContact OG-CE1 3.29Å; S729-Y733 PolarHBondContact OG-OH 2.73Å; S729-Q740 PolarHBondContact N-O 3.1Å; S729-Q740 VanDerWaalsContact N-O 3.12Å; S729-E930 CarbonylContact C-O 3.54Å; S729-E930 WeakPolarHBondContact CB-O 3.4Å; S729-E930 VanDerWaalsContact O-O 3.05Å; S729-E930 PolarHBondContact OG-O 2.82Å; S729-F931 CarbonylContact O-C 3.58Å; S729-F931 WeakPolarHBondContact O-CA 3.35Å; S729-P932 WeakPolarHBondContact O-CA 3.26Å; S729-P932 WeakPolarHBondContact O-CB 3.33Å; S729-P932 WeakPolarHBondContact O-CD 3.31Å
730Q59.8Low66.9Low8 Ų838.6 Ų38.64%0.03722%0.222CC..  trans-141.6170.5168.3-60.7172.460.200107.5F728 E732 Y733 E930 R946 T947F728-Q730 PolarHBondContact O-N 2.81Å; Q730-E732 HydrophobicContact CB-CB 3.78Å; Q730-E732 WeakPolarHBondContact CB-O 3.38Å; Q730-E732 HydrophobicContact CG-CB 4.39Å; Q730-E732 WeakPolarHBondContact CG-O 3.43Å; Q730-E732 PolarHBondContact NE2-O 2.93Å; Q730-E732 PolarHBondContact O-N 3.07Å; Q730-E732 VanDerWaalsContact O-N 3.17Å; Q730-E732 PolarHBondContact OE1-O 3.26Å; Q730-E732 VanDerWaalsContact OE1-O 3.1Å; Q730-Y733 PolarHBondContact N-OH 3.32Å; Q730-E930 VanDerWaalsContact CD-CB 3.47Å; Q730-E930 HydrophobicContact CG-CB 3.45Å; Q730-E930 VanDerWaalsContact CG-CB 3.45Å; Q730-E930 PolarHBondContact OE1-OE2 2.57Å; Q730-R946 PolarHBondContact NE2-O 3.48Å; Q730-R946 PolarHBondContact OE1-O 3.05Å; Q730-T947 PolarHBondContact NE2-OG1 3.35Å; Q730-T947 VanDerWaalsContact OE1-CG2 3.24Å; Q730-T947 PolarHBondContact OE1-OG1 2.91Å
731P61.1Low66.6Low79 Ų7938.4 Ų38.451%0.51322%0.221SC..BIsolated β-bridgetrans-71.920.6147.936.7-34.8000111.9R944 I945P731-R944 VanDerWaalsContact C-N 3.26Å; P731-R944 CarbonylContact C-O 3.59Å; P731-R944 VanDerWaalsContact CA-N 3.25Å; P731-R944 CarbonylContact O-C 3.22Å; P731-R944 WeakPolarHBondContact O-CA 2.92Å; P731-R944 WeakPolarHBondContact O-CB 3.22Å; P731-R944 PolarHBondContact O-N 2.78Å; P731-I945 PolarHBondContact O-N 2.91Å
732E56.1Low66.3Low42 Ų4238.4 Ų38.420%0.19622%0.221CC..  trans-153.3127.5-158.9-70.4-162.42400118Q730 R944 I945 R946Q730-E732 HydrophobicContact CB-CB 3.78Å; Q730-E732 WeakPolarHBondContact CB-O 3.38Å; Q730-E732 HydrophobicContact CG-CB 4.39Å; Q730-E732 WeakPolarHBondContact CG-O 3.43Å; Q730-E732 PolarHBondContact NE2-O 2.93Å; Q730-E732 PolarHBondContact O-N 3.07Å; Q730-E732 VanDerWaalsContact O-N 3.17Å; Q730-E732 PolarHBondContact OE1-O 3.26Å; Q730-E732 VanDerWaalsContact OE1-O 3.1Å; E732-R944 WeakPolarHBondContact CA-O 3.42Å; E732-R944 PolarHBondContact N-O 2.98Å; E732-I945 VanDerWaalsContact CA-C 3.45Å; E732-I945 VanDerWaalsContact CA-N 3.26Å; E732-R946 CarbonylContact C-O 3.58Å; E732-R946 HydrophobicContact CB-CB 4.38Å; E732-R946 VanDerWaalsContact CD-CZ 3.44Å; E732-R946 VanDerWaalsContact OE1-CB 3.29Å; E732-R946 WeakPolarHBondContact OE1-CB 3.44Å; E732-R946 WeakPolarHBondContact OE1-CG 3.47Å; E732-R946 IonicContact OE1-CZ 3.63Å; E732-R946 VanDerWaalsContact OE1-CZ 3.23Å; E732-R946 IonicContact OE1-NE 2.68Å; E732-R946 IonicContact OE1-NH1 3.62Å; E732-R946 PolarHBondContact OE1-NH1 2.92Å; E732-R946 IonicContact OE1-NH2 3.41Å; E732-R946 IonicContact OE2-CZ 3.16Å; E732-R946 IonicContact OE2-NH1 3.97Å; E732-R946 PolarHBondContact OE2-NH1 3.01Å; E732-R946 IonicContact OE2-NH2 3.34Å; E732-R946 PolarHBondContact OE2-NH2 3.3Å
733Y56.3Low66Low5 Ų538.1 Ų38.12%0.0222%0.219CC..  trans-156151.6157.1-43.7-79.5000109.4S729 Q730 P738 V739 Q740 I945 R946S729-Y733 WeakPolarHBondContact CA-OH 3.31Å; S729-Y733 WeakPolarHBondContact CB-OH 3.25Å; S729-Y733 PolarHBondContact N-OH 2.71Å; S729-Y733 WeakPolarHBondContact OG-CE1 3.29Å; S729-Y733 PolarHBondContact OG-OH 2.73Å; Q730-Y733 PolarHBondContact N-OH 3.32Å; Y733-P738 WeakPolarHBondContact CD1-O 3.12Å; Y733-P738 VanDerWaalsContact CG-O 3.27Å; Y733-V739 HydrophobicContact CD2-CB 4.1Å; Y733-V739 HydrophobicContact CD2-CG1 3.74Å; Y733-V739 HydrophobicContact CD2-CG2 4.25Å; Y733-V739 HydrophobicContact CE2-CG1 4Å; Y733-V739 HydrophobicContact CG-CB 4.4Å; Y733-V739 HydrophobicContact CG-CG2 4.42Å; Y733-Q740 HydrophobicContact CD1-CG 4.41Å; Y733-Q740 HydrophobicContact CE1-CB 3.67Å; Y733-Q740 HydrophobicContact CE1-CG 3.9Å; Y733-Q740 VanDerWaalsContact CZ-N 3.28Å; Y733-Q740 PolarHBondContact OH-O 2.68Å; Y733-I945 CarbonylContact O-C 3.4Å; Y733-I945 WeakPolarHBondContact O-CA 3.23Å; Y733-I945 WeakPolarHBondContact O-CB 3.43Å; Y733-I945 VanDerWaalsContact O-CG2 3.26Å; Y733-I945 WeakPolarHBondContact O-CG2 3.23Å; Y733-R946 VanDerWaalsContact C-CA 3.46Å; Y733-R946 VanDerWaalsContact CA-N 3.33Å; Y733-R946 VanDerWaalsContact CA-O 3.22Å; Y733-R946 WeakPolarHBondContact CA-O 3.38Å; Y733-R946 PolarHBondContact N-O 3.47Å; Y733-R946 PolarHBondContact O-N 2.95Å
734T48.6Very low66Low70 Ų7036.3 Ų36.343%0.42921%0.211SC..  trans-125.6179177.221.40000114G736 Q737 R946T734-G736 PolarHBondContact O-N 3.03Å; T734-Q737 WeakPolarHBondContact O-CA 3.45Å; T734-Q737 WeakPolarHBondContact O-CB 3.38Å; T734-Q737 PolarHBondContact O-N 3.2Å; T734-R946 HydrophobicContact CG2-CB 4.2Å; T734-R946 HydrophobicContact CG2-CG 4.1Å; T734-R946 WeakPolarHBondContact OG1-CA 3.19Å
735F43.6Very low66.1Low222 Ų22235.8 Ų35.897%0.97421%0.207SC*.THydrogen-bonded Turntrans-53.3127175.5-156.5-91.7000111.5Q737F735-Q737 VanDerWaalsContact C-N 3.32Å
736G47.7Very low66.6Low83 Ų8338.2 Ų38.286%0.85622%0.215SC*.THydrogen-bonded Turntrans86.6-13.5-173.200000115.3T734T734-G736 PolarHBondContact O-N 3.03Å
737Q54.1Low67.1Low40 Ų4036.9 Ų36.919%0.18721%0.207CC..SBendtrans-98.4144.9167.6-86-158.9-35.300111.5T734 F735 R946 T947T734-Q737 WeakPolarHBondContact O-CA 3.45Å; T734-Q737 WeakPolarHBondContact O-CB 3.38Å; T734-Q737 PolarHBondContact O-N 3.2Å; F735-Q737 VanDerWaalsContact C-N 3.32Å; Q737-R946 VanDerWaalsContact OE1-C 3.31Å; Q737-R946 PolarHBondContact OE1-O 3.49Å; Q737-T947 PolarHBondContact NE2-O 3.14Å; Q737-T947 VanDerWaalsContact OE1-N 3.11Å; Q737-T947 PolarHBondContact OE1-O 3.4Å
738P58.7Low67.9Low55 Ų5538.9 Ų38.936%0.35722%0.215SC..PPolyproline II helixtrans-73.4141-179.630.5-34.7000111.3Y733 Q740 C814Y733-P738 WeakPolarHBondContact CD1-O 3.12Å; Y733-P738 VanDerWaalsContact CG-O 3.27Å; P738-Q740 HydrophobicContact CB-CG 4.34Å; P738-Q740 HydrophobicContact CG-CG 4.29Å; P738-C814 HydrophobicContact CB-CB 4.28Å
739V65.9Low68.7Low30 Ų3038.1 Ų38.118%0.18221%0.211CC..EExtended strand (participates in β ladder)trans-81.3126.8171.8-178.70000109.6Y733 C814 L815 L820Y733-V739 HydrophobicContact CD2-CB 4.1Å; Y733-V739 HydrophobicContact CD2-CG1 3.74Å; Y733-V739 HydrophobicContact CD2-CG2 4.25Å; Y733-V739 HydrophobicContact CE2-CG1 4Å; Y733-V739 HydrophobicContact CG-CB 4.4Å; Y733-V739 HydrophobicContact CG-CG2 4.42Å; V739-C814 CarbonylContact O-C 3.6Å; V739-C814 WeakPolarHBondContact O-CA 3.36Å; V739-L815 HydrophobicContact CB-CB 4.37Å; V739-L815 HydrophobicContact CG1-CB 4.36Å; V739-L815 HydrophobicContact CG1-CD1 4.21Å; V739-L815 PolarHBondContact O-N 3.21Å; V739-L820 HydrophobicContact CB-CD1 3.79Å; V739-L820 HydrophobicContact CG1-CD1 3.77Å; V739-L820 HydrophobicContact CG2-CD1 4.04Å
740Q71.6Confident69.6Low3 Ų339.6 Ų39.61%0.01422%0.221CC..EExtended strand (participates in β ladder)trans-122.7132.3-169.1-56.1-168.4-59.200115.4S729 Y733 P738 L812 L813 C814 H929S729-Q740 PolarHBondContact N-O 3.1Å; S729-Q740 VanDerWaalsContact N-O 3.12Å; Y733-Q740 HydrophobicContact CD1-CG 4.41Å; Y733-Q740 HydrophobicContact CE1-CB 3.67Å; Y733-Q740 HydrophobicContact CE1-CG 3.9Å; Y733-Q740 VanDerWaalsContact CZ-N 3.28Å; Y733-Q740 PolarHBondContact OH-O 2.68Å; P738-Q740 HydrophobicContact CB-CG 4.34Å; P738-Q740 HydrophobicContact CG-CG 4.29Å; Q740-L812 HydrophobicContact CB-CD1 3.85Å; Q740-L812 HydrophobicContact CB-CG 4.3Å; Q740-L812 VanDerWaalsContact NE2-CD2 3.35Å; Q740-L813 WeakPolarHBondContact CA-O 3.43Å; Q740-C814 PolarHBondContact NE2-SG 3.04Å; Q740-C814 VanDerWaalsContact NE2-SG 3.41Å; Q740-H929 PolarHBondContact NE2-CE1 3.36Å; Q740-H929 PolarHBondContact NE2-ND1 3.04Å; Q740-H929 PolarHBondContact OE1-ND1 3.05Å
741L78.8Confident71Confident0 Ų041.5 Ų41.50%023%0.231CC..EExtended strand (participates in β ladder)trans-111.8127.2171-17276.9000110.2V726 F728 V743 V760 F762 L812 L813 L815V726-L741 HydrophobicContact CG1-CD1 3.49Å; V726-L741 VanDerWaalsContact CG1-CD1 3.49Å; V726-L741 HydrophobicContact CG1-CD2 4.03Å; V726-L741 HydrophobicContact CG1-CG 3.82Å; F728-L741 HydrophobicContact CD1-CD1 3.79Å; F728-L741 HydrophobicContact CD2-CD1 3.56Å; F728-L741 HydrophobicContact CE1-CD1 3.73Å; F728-L741 HydrophobicContact CE2-CD1 3.48Å; F728-L741 VanDerWaalsContact CE2-CD1 3.48Å; F728-L741 HydrophobicContact CG-CD1 3.72Å; F728-L741 HydrophobicContact CZ-CD1 3.58Å; L741-V743 HydrophobicContact CD2-CG2 4.14Å; L741-V743 HydrophobicContact CG-CG2 4.43Å; L741-V760 HydrophobicContact CD2-CB 4.47Å; L741-V760 HydrophobicContact CD2-CG1 4.14Å; L741-V760 HydrophobicContact CD2-CG2 4.27Å; L741-F762 HydrophobicContact CD2-CE1 3.68Å; L741-F762 HydrophobicContact CD2-CZ 3.68Å; L741-L812 CarbonylContact O-C 3.51Å; L741-L812 WeakPolarHBondContact O-CA 3.38Å; L741-L813 HydrophobicContact CB-CB 4.27Å; L741-L813 HydrophobicContact CD2-CD1 4.2Å; L741-L813 PolarHBondContact N-O 2.92Å; L741-L813 PolarHBondContact O-N 2.91Å; L741-L815 HydrophobicContact CB-CD1 4.12Å; L741-L815 HydrophobicContact CB-CD2 3.95Å; L741-L815 HydrophobicContact CB-CG 4.1Å
742A76.4Confident72.3Confident0 Ų040 Ų400%022%0.221CC..EExtended strand (participates in β ladder)trans-100.7110.3176.900000110.2V726 C727 F744 V810 I811 L812 F931V726-A742 WeakPolarHBondContact CA-O 3.31Å; C727-A742 PolarHBondContact N-O 3.49Å; C727-A742 VanDerWaalsContact N-O 3.1Å; C727-A742 WeakPolarHBondContact O-CA 3.4Å; C727-A742 PolarHBondContact O-N 3.45Å; A742-F744 HydrophobicContact CB-CD2 4.28Å; A742-F744 HydrophobicContact CB-CE2 3.44Å; A742-F744 VanDerWaalsContact CB-CE2 3.44Å; A742-F744 HydrophobicContact CB-CZ 3.97Å; A742-F744 WeakPolarHBondContact O-CD2 3.12Å; A742-V810 HydrophobicContact CB-CG1 3.67Å; A742-I811 WeakPolarHBondContact CA-O 3.18Å; A742-L812 HydrophobicContact CB-CD1 4.3Å; A742-F931 HydrophobicContact CB-CE1 4.26Å
743V81.9Confident73.7Confident0 Ų038.3 Ų38.30%021%0.214CC..EExtended strand (participates in β ladder)trans-99.5108.4175.6-174.20000109.3V726 L741 L745 V758 V760 V810 I811 L813V726-V743 HydrophobicContact CG2-CB 4.21Å; V726-V743 HydrophobicContact CG2-CG1 3.89Å; V726-V743 HydrophobicContact CG2-CG2 4.02Å; L741-V743 HydrophobicContact CD2-CG2 4.14Å; L741-V743 HydrophobicContact CG-CG2 4.43Å; V743-L745 HydrophobicContact CG1-CD2 4.45Å; V743-L745 HydrophobicContact CG1-CG 4.37Å; V743-V758 HydrophobicContact CG1-CG1 4.3Å; V743-V760 HydrophobicContact CG2-CG2 3.88Å; V743-V810 WeakPolarHBondContact O-CA 3.34Å; V743-I811 HydrophobicContact CB-CB 4.15Å; V743-I811 HydrophobicContact CB-CG1 4.39Å; V743-I811 PolarHBondContact N-O 3.42Å; V743-I811 PolarHBondContact O-N 2.93Å; V743-L813 HydrophobicContact CG2-CD1 4.09Å
744F82Confident75.2Confident12 Ų1239 Ų395%0.05322%0.217CC..EExtended strand (participates in β ladder)trans-90.9127.1-177.6-63.9-103.2000110.5C724 K725 C727 A742 F808 K809 V810 L934C724-F744 WeakPolarHBondContact CA-O 3.42Å; K725-F744 HydrophobicContact CB-CB 3.89Å; K725-F744 PolarHBondContact N-O 2.74Å; K725-F744 PolarHBondContact O-N 2.87Å; C727-F744 WeakPolarHBondContact SG-CE2 3.27Å; A742-F744 HydrophobicContact CB-CD2 4.28Å; A742-F744 HydrophobicContact CB-CE2 3.44Å; A742-F744 VanDerWaalsContact CB-CE2 3.44Å; A742-F744 HydrophobicContact CB-CZ 3.97Å; A742-F744 WeakPolarHBondContact O-CD2 3.12Å; F744-F808 AromaticContact CD1-CD2 3.76Å; F744-F808 HydrophobicContact CD1-CD2 3.76Å; F744-F808 AromaticContact CD1-CE2 3.81Å; F744-F808 HydrophobicContact CD1-CE2 3.81Å; F744-F808 HydrophobicContact CD1-CG 4.36Å; F744-F808 HydrophobicContact CD1-CZ 4.43Å; F744-F808 HydrophobicContact CE1-CD2 4.27Å; F744-F808 AromaticContact CE1-CE2 3.84Å; F744-F808 HydrophobicContact CE1-CE2 3.84Å; F744-F808 HydrophobicContact CE1-CZ 4.37Å; F744-K809 WeakPolarHBondContact CA-O 3.47Å; F744-V810 HydrophobicContact CD1-CG2 3.51Å; F744-V810 HydrophobicContact CE1-CG1 4.41Å; F744-V810 HydrophobicContact CE1-CG2 3.47Å; F744-V810 VanDerWaalsContact CE1-CG2 3.47Å; F744-V810 HydrophobicContact CE2-CG1 4.36Å; F744-V810 HydrophobicContact CG-CG2 4.19Å; F744-V810 HydrophobicContact CZ-CG1 4.26Å; F744-V810 HydrophobicContact CZ-CG2 4.13Å; F744-L934 HydrophobicContact CD1-CD1 4.28Å; F744-L934 HydrophobicContact CE1-CD1 3.57Å; F744-L934 HydrophobicContact CZ-CD1 4.14Å
745L86.8Confident77Confident1 Ų135.6 Ų35.61%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-130.3128.8-178.5-64174.5000110.6C724 V743 V758 F800 L802 F808 K809 I811 L831C724-L745 HydrophobicContact CB-CD2 3.91Å; C724-L745 VanDerWaalsContact SG-CD2 3.53Å; V743-L745 HydrophobicContact CG1-CD2 4.45Å; V743-L745 HydrophobicContact CG1-CG 4.37Å; L745-V758 HydrophobicContact CD1-CG2 4.29Å; L745-F800 HydrophobicContact CD1-CE2 3.95Å; L745-F800 HydrophobicContact CD1-CZ 3.6Å; L745-L802 HydrophobicContact CB-CD1 4.38Å; L745-L802 HydrophobicContact CB-CD2 3.84Å; L745-F808 CarbonylContact O-C 3.6Å; L745-F808 VanDerWaalsContact O-CA 3.27Å; L745-F808 WeakPolarHBondContact O-CA 3.47Å; L745-F808 WeakPolarHBondContact O-CB 3.23Å; L745-K809 PolarHBondContact N-O 3.14Å; L745-K809 PolarHBondContact O-N 2.82Å; L745-I811 HydrophobicContact CD1-CD1 4.3Å; L745-L831 HydrophobicContact CD1-CD2 4.02Å; L745-L831 HydrophobicContact CD2-CD1 3.75Å; L745-L831 HydrophobicContact CD2-CD2 3.94Å; L745-L831 HydrophobicContact CD2-CG 4.44Å
746R86.8Confident78.9Confident91 Ų9126.5 Ų26.534%0.34316%0.157SC..EExtended strand (participates in β ladder)trans-127.9138.3176.3-172.7174.7-173.2-169.63.3110.6I722 Q723 F748 K807 W938I722-R746 WeakPolarHBondContact CA-O 3.29Å; Q723-R746 PolarHBondContact N-O 3Å; Q723-R746 PolarHBondContact O-N 3.28Å; R746-F748 HydrophobicContact CG-CE2 4.11Å; R746-F748 HydrophobicContact CG-CZ 4.27Å; R746-K807 WeakPolarHBondContact CD-O 3.36Å; R746-K807 WeakPolarHBondContact CG-O 3.46Å; R746-K807 PolarHBondContact NE-O 3.01Å; R746-W938 HydrophobicContact CB-CH2 4.41Å
747S88.2Confident80.7Confident4 Ų424.3 Ų24.33%0.02813%0.125CC..EExtended strand (participates in β ladder)trans-114.1139.7175.3-173.60000111.1C721 A749C721-S747 CarbonylContact O-C 3.59Å; C721-S747 WeakPolarHBondContact O-CA 3.07Å; S747-A749 WeakPolarHBondContact OG-CB 3.4Å; S747-A749 PolarHBondContact OG-N 3.28Å; S747-A749 VanDerWaalsContact OG-N 3.15Å
748F84.8Confident82.2Confident55 Ų5522.5 Ų22.524%0.24112%0.116CC..  trans-112.14.6166.9-58.8-92.1000111.2P617 C721 Q723 R746P617-F748 HydrophobicContact CB-CD1 3.9Å; P617-F748 HydrophobicContact CB-CE1 4.09Å; P617-F748 HydrophobicContact CB-CG 4.2Å; P617-F748 HydrophobicContact CG-CD1 4.36Å; P617-F748 HydrophobicContact CG-CD2 4.3Å; P617-F748 HydrophobicContact CG-CE1 4.42Å; P617-F748 HydrophobicContact CG-CE2 4.39Å; P617-F748 HydrophobicContact CG-CG 4.28Å; P617-F748 HydrophobicContact CG-CZ 4.43Å; C721-F748 PolarHBondContact O-N 3.08Å; Q723-F748 HydrophobicContact CB-CE2 4.45Å; Q723-F748 HydrophobicContact CG-CE2 3.91Å; R746-F748 HydrophobicContact CG-CE2 4.11Å; R746-F748 HydrophobicContact CG-CZ 4.27Å
749A86.9Confident83.6Confident0 Ų021 Ų210%011%0.106CC..  trans-71.8134.2178.700000110.1C721 S747 L751 I753 S804C721-A749 HydrophobicContact CB-CB 4.01Å; S747-A749 WeakPolarHBondContact OG-CB 3.4Å; S747-A749 PolarHBondContact OG-N 3.28Å; S747-A749 VanDerWaalsContact OG-N 3.15Å; A749-L751 VanDerWaalsContact C-N 3.34Å; A749-L751 PolarHBondContact O-N 3.19Å; A749-I753 HydrophobicContact CB-CD1 3.6Å; A749-I753 HydrophobicContact CB-CG1 4.16Å; A749-S804 VanDerWaalsContact O-CB 3.32Å; A749-S804 WeakPolarHBondContact O-CB 3.4Å; A749-S804 PolarHBondContact O-OG 2.87Å
750P85.4Confident84.4Confident32 Ų3219.6 Ų19.621%0.20810%0.097CC..SBendtrans-69.7-27.9-17428.8-38.2000114L615 L623 K626 V627L615-P750 HydrophobicContact CD2-CG 4.46Å; L623-P750 HydrophobicContact CD1-CB 3.7Å; K626-P750 HydrophobicContact CB-CG 3.91Å; V627-P750 HydrophobicContact CG2-CB 3.79Å; V627-P750 HydrophobicContact CG2-CG 3.93Å
751L88.5Confident84.9Confident47 Ų4720.6 Ų20.625%0.24610%0.104CC..SBendtrans-102.7153.2173-53.7178000110.7V627 Q630 Q631 F634 A749V627-L751 HydrophobicContact CG1-CD1 4.28Å; V627-L751 HydrophobicContact CG1-CD2 4.24Å; V627-L751 HydrophobicContact CG1-CG 4.42Å; V627-L751 HydrophobicContact CG2-CD2 4.32Å; Q630-L751 HydrophobicContact CB-CD1 4.49Å; Q630-L751 HydrophobicContact CG-CB 4.44Å; Q630-L751 PolarHBondContact NE2-O 3.39Å; Q630-L751 PolarHBondContact OE1-O 3.04Å; Q631-L751 HydrophobicContact CG-CD1 3.9Å; F634-L751 HydrophobicContact CD2-CD1 4.48Å; F634-L751 HydrophobicContact CE2-CB 4.11Å; F634-L751 HydrophobicContact CE2-CD1 4.15Å; A749-L751 VanDerWaalsContact C-N 3.34Å; A749-L751 PolarHBondContact O-N 3.19Å
752P88.2Confident84.8Confident47 Ų4720.9 Ų20.931%0.30511%0.105SC..  trans-61.2138.5177.5-20.432000112.5F634 I801 L802 N803 P836F634-P752 WeakPolarHBondContact CZ-O 3.29Å; P752-I801 HydrophobicContact CB-CG2 3.46Å; P752-I801 VanDerWaalsContact CB-CG2 3.46Å; P752-L802 WeakPolarHBondContact CA-O 3.43Å; P752-N803 WeakPolarHBondContact CB-OD1 3.43Å; P752-N803 WeakPolarHBondContact CG-OD1 3.43Å; P752-P836 WeakPolarHBondContact O-CD 3.28Å; P752-P836 WeakPolarHBondContact O-CG 3.31Å
753I86Confident84.6Confident7 Ų721.2 Ų21.24%0.03611%0.108CC..EExtended strand (participates in β ladder)trans-107.7129.6175.8-62.6178.4000109.3Q630 F634 I722 A749 I801 L802 L833Q630-I753 VanDerWaalsContact NE2-CG1 3.31Å; F634-I753 HydrophobicContact CZ-CG1 4.44Å; I722-I753 HydrophobicContact CD1-CD1 4Å; I722-I753 HydrophobicContact CG1-CD1 4.27Å; A749-I753 HydrophobicContact CB-CD1 3.6Å; A749-I753 HydrophobicContact CB-CG1 4.16Å; I753-I801 CarbonylContact O-C 3.55Å; I753-I801 WeakPolarHBondContact O-CA 3.47Å; I753-L802 PolarHBondContact N-O 2.86Å; I753-L802 PolarHBondContact O-N 3.18Å; I753-L833 HydrophobicContact CG2-CB 4.35Å; I753-L833 HydrophobicContact CG2-CD2 4.07Å
754L87.8Confident83.9Confident19 Ų1921.4 Ų21.410%0.09911%0.108CC..EExtended strand (participates in β ladder)trans-86120.5173.4178.958.8000109.7K799 I801 S834 P835L754-K799 HydrophobicContact CD1-CB 4.14Å; L754-I801 HydrophobicContact CD1-CG1 4.09Å; L754-S834 WeakPolarHBondContact CB-OG 3.31Å; L754-S834 WeakPolarHBondContact CD2-OG 3.09Å; L754-S834 WeakPolarHBondContact CG-OG 3.41Å; L754-S834 PolarHBondContact N-O 3.06Å; L754-S834 PolarHBondContact O-N 3.47Å; L754-P835 WeakPolarHBondContact CB-O 3.32Å
755V87.4Confident82.6Confident0 Ų022.5 Ų22.50%011%0.113CC..EExtended strand (participates in β ladder)trans-94.5119.1170.2-177.50000107.7V758 K799 F800 L802 L831 C832 L833V755-V758 HydrophobicContact CG1-CG2 3.62Å; V755-K799 VanDerWaalsContact O-CA 3.31Å; V755-K799 WeakPolarHBondContact O-CA 3.29Å; V755-F800 HydrophobicContact CB-CD2 4.31Å; V755-F800 HydrophobicContact CB-CE1 4.17Å; V755-F800 HydrophobicContact CB-CE2 3.91Å; V755-F800 HydrophobicContact CB-CZ 3.82Å; V755-F800 HydrophobicContact CG1-CE1 4.01Å; V755-F800 HydrophobicContact CG1-CE2 4.36Å; V755-F800 HydrophobicContact CG1-CZ 3.78Å; V755-F800 HydrophobicContact CG2-CE2 3.9Å; V755-F800 HydrophobicContact CG2-CZ 4.12Å; V755-F800 PolarHBondContact N-O 3.01Å; V755-F800 PolarHBondContact O-N 3.49Å; V755-L802 HydrophobicContact CG2-CD1 3.65Å; V755-L802 HydrophobicContact CG2-CG 3.93Å; V755-L831 HydrophobicContact CG1-CD2 4.45Å; V755-C832 WeakPolarHBondContact CA-O 3.21Å; V755-L833 HydrophobicContact CG2-CD2 4.25Å
756H82Confident80.7Confident30 Ų3025 Ų2514%0.13913%0.129CC..EExtended strand (participates in β ladder)trans-76.1-44.2-179.7-100.774.5000112.4K799 C832 S834H756-K799 VanDerWaalsContact CD2-CE 3.47Å; H756-K799 WeakPolarHBondContact CD2-CE 3.31Å; H756-K799 PolarHBondContact CD2-NZ 3.15Å; H756-K799 WeakPolarHBondContact NE2-CE 3.41Å; H756-K799 PolarHBondContact NE2-NZ 3.44Å; H756-C832 HydrophobicContact CB-CB 4.11Å; H756-C832 PolarHBondContact N-O 3.29Å; H756-S834 PolarHBondContact CE1-OG 3.26Å; H756-S834 WeakPolarHBondContact ND1-CB 3.2Å; H756-S834 PolarHBondContact ND1-OG 2.84Å
757H85.6Confident78.3Confident38 Ų3825.8 Ų25.818%0.17614%0.139CC..EExtended strand (participates in β ladder)trans-157.9158.2176.157-105.6000109.6T795 W796 C832H757-T795 HydrophobicContact CB-CG2 3.8Å; H757-W796 WeakPolarHBondContact CA-O 3.5Å; H757-W796 WeakPolarHBondContact CB-O 3.05Å; H757-C832 VanDerWaalsContact CE1-CB 3.46Å; H757-C832 WeakPolarHBondContact CE1-CB 3.34Å; H757-C832 WeakPolarHBondContact NE2-CB 3.47Å; H757-C832 PolarHBondContact O-N 2.9Å
758V87.3Confident75.6Confident1 Ų129.5 Ų29.51%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-122.4114.1173.3179.60000108.9V743 L745 V755 T795 W796 F800 I811 I829 L831V743-V758 HydrophobicContact CG1-CG1 4.3Å; L745-V758 HydrophobicContact CD1-CG2 4.29Å; V755-V758 HydrophobicContact CG1-CG2 3.62Å; V758-T795 CarbonylContact O-C 3.51Å; V758-T795 VanDerWaalsContact O-CA 3.29Å; V758-T795 WeakPolarHBondContact O-CA 3.32Å; V758-W796 HydrophobicContact CB-CB 4.3Å; V758-W796 PolarHBondContact N-O 3.01Å; V758-W796 PolarHBondContact O-N 3.25Å; V758-F800 HydrophobicContact CG2-CE1 3.83Å; V758-F800 HydrophobicContact CG2-CZ 3.78Å; V758-I811 HydrophobicContact CB-CD1 3.74Å; V758-I811 HydrophobicContact CG1-CD1 4.06Å; V758-I811 HydrophobicContact CG2-CD1 3.56Å; V758-I829 HydrophobicContact CG1-CG2 4.28Å; V758-L831 HydrophobicContact CB-CD2 4.04Å; V758-L831 HydrophobicContact CG1-CD2 3.68Å; V758-L831 HydrophobicContact CG2-CD2 3.4Å; V758-L831 VanDerWaalsContact CG2-CD2 3.4Å
759T86.5Confident72.9Confident24 Ų2432.3 Ų32.315%0.14719%0.191CC..EExtended strand (participates in β ladder)trans-103.8117.5176.8-58.40000109.4T761 T795 H830T759-T761 HydrophobicContact CG2-CG2 4.49Å; T759-T795 WeakPolarHBondContact CG2-OG1 3.34Å; T759-T795 PolarHBondContact OG1-OG1 3.08Å; T759-H830 PolarHBondContact N-O 3.45Å; T759-H830 PolarHBondContact O-N 2.95Å
760V83.6Confident70.2Confident0 Ų038.9 Ų38.90%023%0.231CC..EExtended strand (participates in β ladder)trans-97.2131.8168.1-172.90000107.9L741 V743 F762 S793 Q794 V826L741-V760 HydrophobicContact CD2-CB 4.47Å; L741-V760 HydrophobicContact CD2-CG1 4.14Å; L741-V760 HydrophobicContact CD2-CG2 4.27Å; V743-V760 HydrophobicContact CG2-CG2 3.88Å; V760-F762 HydrophobicContact CB-CE1 4.36Å; V760-F762 HydrophobicContact CB-CE2 4.13Å; V760-F762 HydrophobicContact CB-CZ 3.78Å; V760-F762 HydrophobicContact CG1-CD1 4.19Å; V760-F762 HydrophobicContact CG1-CE1 3.57Å; V760-F762 HydrophobicContact CG1-CE2 4.1Å; V760-F762 HydrophobicContact CG1-CZ 3.51Å; V760-S793 VanDerWaalsContact O-CA 3.25Å; V760-S793 WeakPolarHBondContact O-CA 3.4Å; V760-S793 WeakPolarHBondContact O-CB 3.24Å; V760-Q794 PolarHBondContact N-O 3.2Å; V760-Q794 PolarHBondContact O-N 2.88Å; V760-V826 HydrophobicContact CG1-CG1 3.79Å; V760-V826 HydrophobicContact CG1-CG2 4.06Å
761T81.3Confident67.4Low25 Ų2541.5 Ų41.515%0.15325%0.25CS..EExtended strand (participates in β ladder)trans-105.5141.8172.661.60000109.8T759 T792 D827 S828T759-T761 HydrophobicContact CG2-CG2 4.49Å; T761-T792 WeakPolarHBondContact CA-O 3.43Å; T761-D827 PolarHBondContact O-N 3.17Å; T761-S828 PolarHBondContact N-O 3.08Å; T761-S828 WeakPolarHBondContact OG1-CA 3.44Å; T761-S828 PolarHBondContact OG1-N 2.94Å; T761-S828 PolarHBondContact OG1-O 3.2Å; T761-S828 PolarHBondContact OG1-OG 3.29Å
762F78Confident64.6Low6 Ų646.6 Ų46.63%0.02627%0.273CS..EExtended strand (participates in β ladder)trans-126.7146.5-177-48.3-88.2000110.8L741 V760 Q791 T792 Q794 L815 I824 K825 V826L741-F762 HydrophobicContact CD2-CE1 3.68Å; L741-F762 HydrophobicContact CD2-CZ 3.68Å; V760-F762 HydrophobicContact CB-CE1 4.36Å; V760-F762 HydrophobicContact CB-CE2 4.13Å; V760-F762 HydrophobicContact CB-CZ 3.78Å; V760-F762 HydrophobicContact CG1-CD1 4.19Å; V760-F762 HydrophobicContact CG1-CE1 3.57Å; V760-F762 HydrophobicContact CG1-CE2 4.1Å; V760-F762 HydrophobicContact CG1-CZ 3.51Å; F762-Q791 VanDerWaalsContact O-CA 3.22Å; F762-Q791 WeakPolarHBondContact O-CA 3.43Å; F762-T792 PolarHBondContact N-O 3.07Å; F762-T792 PolarHBondContact O-N 3.09Å; F762-Q794 HydrophobicContact CE2-CB 3.89Å; F762-L815 HydrophobicContact CZ-CD2 4.31Å; F762-I824 HydrophobicContact CB-CG2 3.77Å; F762-I824 HydrophobicContact CD1-CG2 3.63Å; F762-I824 HydrophobicContact CE1-CG2 4.49Å; F762-I824 HydrophobicContact CG-CG2 3.92Å; F762-K825 CarbonylContact C-O 3.53Å; F762-K825 WeakPolarHBondContact CA-O 3.32Å; F762-K825 WeakPolarHBondContact CB-O 3.47Å; F762-V826 HydrophobicContact CD1-CG2 3.85Å; F762-V826 HydrophobicContact CE1-CG2 3.84Å
763S70.7Confident61.8Low7 Ų752.5 Ų52.55%0.04930%0.302CS..EExtended strand (participates in β ladder)trans-97.8114.8158.941.90000109.4K825 D827S763-K825 PolarHBondContact N-O 3.27Å; S763-K825 PolarHBondContact O-N 2.84Å; S763-D827 VanDerWaalsContact CB-OD2 3.28Å; S763-D827 WeakPolarHBondContact CB-OD2 3.37Å; S763-D827 VanDerWaalsContact OG-CG 3.3Å; S763-D827 PolarHBondContact OG-OD1 3.21Å; S763-D827 PolarHBondContact OG-OD2 3.13Å
764N68Low58.9Low3 Ų358 Ų582%0.01634%0.336CS..EExtended strand (participates in β ladder)trans-84.7142.5169.8-74.521.5000109.2T789 H790 T792 D821N764-T789 WeakPolarHBondContact O-CA 3.33Å; N764-H790 PolarHBondContact N-O 3.28Å; N764-H790 PolarHBondContact O-N 2.89Å; N764-T792 PolarHBondContact OD1-OG1 3.11Å; N764-D821 HydrophobicContact CB-CB 4.24Å; N764-D821 WeakPolarHBondContact CB-OD2 3.3Å; N764-D821 PolarHBondContact ND2-OD2 3.12Å
765K55.1Low56.2Low36 Ų3662.6 Ų62.616%0.15737%0.366CS..EExtended strand (participates in β ladder)trans-113.1114.5171.7-96.5-166.2168-173.20112.2V787 T789 Q823 Y863K765-V787 HydrophobicContact CD-CG1 4.29Å; K765-V787 HydrophobicContact CG-CG1 4.27Å; K765-T789 HydrophobicContact CG-CG2 3.91Å; K765-Q823 HydrophobicContact CB-CB 4.21Å; K765-Q823 PolarHBondContact N-O 3.38Å; K765-Y863 HydrophobicContact CD-CE1 4.09Å
766V46.9Very low53.4Low54 Ų5468.5 Ų68.533%0.32741%0.405SS..  trans-87.6111.9166.2-177.40000108.7C768V766-C768 PolarHBondContact O-N 3.03Å; V766-C768 VanDerWaalsContact O-N 3.11Å
767D35.8Very low50.8Low106 Ų10674.3 Ų74.357%0.56744%0.437SS*.  trans-72.697.2162.7-81.8-36.9000108.3S769D767-S769 PolarHBondContact O-N 2.85Å
768C32.1Very low48.1Very low83 Ų8378.9 Ų78.956%0.56147%0.468SS*.  trans-66.381.8176.1-72.30000111.5V766 T770V766-C768 PolarHBondContact O-N 3.03Å; V766-C768 VanDerWaalsContact O-N 3.11Å; C768-T770 PolarHBondContact O-N 2.89Å
769S28.8Very low45.4Very low113 Ų11386.1 Ų86.179%0.7950%0.504SS*.  trans-62.6103.3165.551.80000108.7D767 S771D767-S769 PolarHBondContact O-N 2.85Å; S769-S771 PolarHBondContact O-N 3.02Å
770T29.2Very low42.6Very low138 Ų13892.1 Ų92.185%0.84754%0.536SS*.  trans-68.8118.8-17726.30000110.1C768C768-T770 PolarHBondContact O-N 2.89Å
771S26.5Very low39.7Very low87 Ų87101.4 Ų101.461%0.60858%0.576SS**  trans-64.8174.5168.751.20000111.6S769S769-S771 PolarHBondContact O-N 3.02Å
772H30.4Very low37.1Very low155 Ų155106.4 Ų106.472%0.71861%0.609SS**  trans81.480.8174.6-48.5-74.4000116.8V774H772-V774 PolarHBondContact O-N 3.41Å
773N28.2Very low34.7Very low171 Ų171114.4 Ų114.491%0.91465%0.651SS**  21.369.4107.9-65.4-9.8000116.8
774V26.6Very low32.9Very low123 Ų123119.2 Ų119.275%0.74569%0.685SS**  trans-132123.7159-176.20000108H772H772-V774 PolarHBondContact O-N 3.41Å
775P30.8Very low31.3Very low115 Ų115122.2 Ų122.275%0.74772%0.717SS**  trans-61.3145.3-179.2-25.235.2000113N777P775-N777 PolarHBondContact O-N 3.05Å
776P28.7Very low30.3Very low124 Ų124127.6 Ų127.681%0.80575%0.747SS**  trans-73.7123.3-172.229.1-35000112.3
777N27.1Very low30.1Very low152 Ų152128.7 Ų128.781%0.81375%0.754SS**  trans-152.6153.8161.9-118.3-33.9000111.4P775P775-N777 PolarHBondContact O-N 3.05Å
778T29.2Very low30.6Very low134 Ų134126.9 Ų126.982%0.82275%0.749SS**  trans56.277.2177.537.70000117.4
779I29.5Very low31.6Very low152 Ų152126.5 Ų126.578%0.77974%0.744SS**  trans3.5141.1134.1-67.6164.1000117.9
780N27.2Very low33.2Very low151 Ų151126.9 Ų126.981%0.80773%0.734SS**  trans83.276.7165.5-67.8-19.8000120
781K24.5Very low35.1Very low195 Ų195126.3 Ų126.385%0.84872%0.721SS**  -167.7140122.2-107.1165.7-175.7177.70111.5L783K781-L783 PolarHBondContact O-N 3.13Å
782P26.3Very low37.3Very low129 Ų129123.8 Ų123.884%0.83870%0.702SS**  trans-76.7118.8172.230.6-31.8000110.2
783L26.7Very low39.6Very low174 Ų174120.2 Ų120.291%0.91170%0.695SS**  trans-81.2117.6170.8-76161.9000109.3K781 G785K781-L783 PolarHBondContact O-N 3.13Å; L783-G785 PolarHBondContact O-N 3.39Å; L783-G785 VanDerWaalsContact O-N 3.14Å
784S33.3Very low41.8Very low108 Ų108114.4 Ų114.476%0.75566%0.662SS**  trans-74.796.6168.154.20000109.1N786S784-N786 PolarHBondContact O-N 3.33Å
785G34.7Very low44.3Very low67 Ų67111.4 Ų111.469%0.69164%0.644SS**  trans-64.3114.3171.100000110.1L783 V787L783-G785 PolarHBondContact O-N 3.39Å; L783-G785 VanDerWaalsContact O-N 3.14Å; G785-V787 PolarHBondContact O-N 2.92Å; G785-V787 VanDerWaalsContact O-N 3.15Å
786N34.1Very low46.8Very low148 Ų148106.1 Ų106.179%0.79161%0.609SS**  trans-69.1108.1172.6-78.3-10.4000108.8S784 S788S784-N786 PolarHBondContact O-N 3.33Å; N786-S788 PolarHBondContact O-N 3.28Å
787V41.5Very low49.1Very low78 Ų78104.7 Ų104.747%0.47360%0.6SS.*  trans-73.8109.8173.5-178.50000108.7K765 G785 T789K765-V787 HydrophobicContact CD-CG1 4.29Å; K765-V787 HydrophobicContact CG-CG1 4.27Å; G785-V787 PolarHBondContact O-N 2.92Å; G785-V787 VanDerWaalsContact O-N 3.15Å; V787-T789 PolarHBondContact O-N 3.3Å
788S47.2Very low51.6Low67 Ų6798.7 Ų98.747%0.46957%0.57SS.*  trans-77105.6171.952.40000110.2N786N786-S788 PolarHBondContact O-N 3.28Å
789T52.5Low54.1Low75 Ų7597.8 Ų97.846%0.4655%0.554SS.*EExtended strand (participates in β ladder)trans-82.2120.4162.748.40000109.3N764 K765 V787N764-T789 WeakPolarHBondContact O-CA 3.33Å; K765-T789 HydrophobicContact CG-CG2 3.91Å; V787-T789 PolarHBondContact O-N 3.3Å
790H62.5Low56.8Low122 Ų12291.1 Ų91.157%0.56552%0.52SS*.EExtended strand (participates in β ladder)trans-92.9143.2167.8-168.7-88.2000109.1N764N764-H790 PolarHBondContact N-O 3.28Å; N764-H790 PolarHBondContact O-N 2.89Å
791Q70.3Confident59.7Low126 Ų12687.2 Ų87.259%0.58950%0.498SS*.EExtended strand (participates in β ladder)trans-98.6124.6171.6-79.4-173.3-36.200110.6F762 D827F762-Q791 VanDerWaalsContact O-CA 3.22Å; F762-Q791 WeakPolarHBondContact O-CA 3.43Å; Q791-D827 PolarHBondContact NE2-OD2 3.42Å
792T71.2Confident62.5Low33 Ų3378.1 Ų78.120%0.20246%0.459CS..EExtended strand (participates in β ladder)trans-113.2160.717357.80000109T761 F762 N764T761-T792 WeakPolarHBondContact CA-O 3.43Å; F762-T792 PolarHBondContact N-O 3.07Å; F762-T792 PolarHBondContact O-N 3.09Å; N764-T792 PolarHBondContact OD1-OG1 3.11Å
793S78.7Confident65.2Low81 Ų8174.2 Ų74.257%0.56643%0.431SS*.EExtended strand (participates in β ladder)trans-138.4142.4173.1590000110.5V760V760-S793 VanDerWaalsContact O-CA 3.25Å; V760-S793 WeakPolarHBondContact O-CA 3.4Å; V760-S793 WeakPolarHBondContact O-CB 3.24Å
794Q75.5Confident67.8Low49 Ų4968.8 Ų68.823%0.22941%0.408CS..EExtended strand (participates in β ladder)trans-121.3128.2169.2-171.5163.3-28.100108.1V760 F762 L813V760-Q794 PolarHBondContact N-O 3.2Å; V760-Q794 PolarHBondContact O-N 2.88Å; F762-Q794 HydrophobicContact CE2-CB 3.89Å; Q794-L813 HydrophobicContact CG-CD2 4.28Å
795T79.6Confident69.6Low59 Ų5969 Ų6936%0.36241%0.405SS..EExtended strand (participates in β ladder)trans-107.7127.2178.5-62.10000108.8H757 V758 T759 P797H757-T795 HydrophobicContact CB-CG2 3.8Å; V758-T795 CarbonylContact O-C 3.51Å; V758-T795 VanDerWaalsContact O-CA 3.29Å; V758-T795 WeakPolarHBondContact O-CA 3.32Å; T759-T795 WeakPolarHBondContact CG2-OG1 3.34Å; T759-T795 PolarHBondContact OG1-OG1 3.08Å; T795-P797 WeakPolarHBondContact O-CD 3.43Å
796W82.2Confident71.4Confident4 Ų467.3 Ų67.32%0.01538%0.379CS..EExtended strand (participates in β ladder)trans-75.1113.2160.1179.8-95000108.1H757 V758 S798 F800 I811 L813 Y1112 L1113 S1134H757-W796 WeakPolarHBondContact CA-O 3.5Å; H757-W796 WeakPolarHBondContact CB-O 3.05Å; V758-W796 HydrophobicContact CB-CB 4.3Å; V758-W796 PolarHBondContact N-O 3.01Å; V758-W796 PolarHBondContact O-N 3.25Å; W796-S798 PolarHBondContact NE1-O 3.28Å; W796-F800 AromaticContact CD1-CE1 3.88Å; W796-F800 AromaticContact NE1-CD1 3.84Å; W796-I811 HydrophobicContact CB-CD1 4.14Å; W796-I811 HydrophobicContact CB-CG2 4.04Å; W796-I811 HydrophobicContact CD2-CG2 3.35Å; W796-I811 HydrophobicContact CE3-CG2 3.32Å; W796-I811 HydrophobicContact CG-CD1 4.08Å; W796-I811 HydrophobicContact CG-CG2 3.67Å; W796-I811 HydrophobicContact CZ3-CG2 3.98Å; W796-L813 HydrophobicContact CB-CD2 4.2Å; W796-L813 HydrophobicContact CE3-CD2 3.82Å; W796-Y1112 VanDerWaalsContact CH2-C 3.44Å; W796-L1113 HydrophobicContact CH2-CB 4.01Å; W796-L1113 HydrophobicContact CZ2-CB 3.6Å; W796-S1134 WeakPolarHBondContact CH2-OG 3.31Å; W796-S1134 WeakPolarHBondContact CZ3-OG 3.29Å
797P77.3Confident73.1Confident94 Ų9464.4 Ų64.461%0.6136%0.359SS*.  trans-88.2-19.4-170.335.5-35.4000113.2T795 K799T795-P797 WeakPolarHBondContact O-CD 3.43Å; P797-K799 PolarHBondContact O-N 3.44Å
798S80.1Confident74.8Confident26 Ų2661.5 Ų61.518%0.18234%0.34CS..SBendtrans-79.2122.9-173.4-45.90000110.6W796W796-S798 PolarHBondContact NE1-O 3.28Å
799K82Confident76.5Confident115 Ų11559 Ų5950%0.532%0.321SS..  trans-64.2141.7178.8-46.1-170.9-173.4-171.90110.6L754 V755 H756 P797L754-K799 HydrophobicContact CD1-CB 4.14Å; V755-K799 VanDerWaalsContact O-CA 3.31Å; V755-K799 WeakPolarHBondContact O-CA 3.29Å; H756-K799 VanDerWaalsContact CD2-CE 3.47Å; H756-K799 WeakPolarHBondContact CD2-CE 3.31Å; H756-K799 PolarHBondContact CD2-NZ 3.15Å; H756-K799 WeakPolarHBondContact NE2-CE 3.41Å; H756-K799 PolarHBondContact NE2-NZ 3.44Å; P797-K799 PolarHBondContact O-N 3.44Å
800F86.5Confident77.8Confident12 Ų1255.4 Ų55.45%0.05330%0.299CS..EExtended strand (participates in β ladder)trans-148.2158.2173.763.8-91.7000112.3L745 V755 V758 W796 L802 K809 I811 L1113L745-F800 HydrophobicContact CD1-CE2 3.95Å; L745-F800 HydrophobicContact CD1-CZ 3.6Å; V755-F800 HydrophobicContact CB-CD2 4.31Å; V755-F800 HydrophobicContact CB-CE1 4.17Å; V755-F800 HydrophobicContact CB-CE2 3.91Å; V755-F800 HydrophobicContact CB-CZ 3.82Å; V755-F800 HydrophobicContact CG1-CE1 4.01Å; V755-F800 HydrophobicContact CG1-CE2 4.36Å; V755-F800 HydrophobicContact CG1-CZ 3.78Å; V755-F800 HydrophobicContact CG2-CE2 3.9Å; V755-F800 HydrophobicContact CG2-CZ 4.12Å; V755-F800 PolarHBondContact N-O 3.01Å; V755-F800 PolarHBondContact O-N 3.49Å; V758-F800 HydrophobicContact CG2-CE1 3.83Å; V758-F800 HydrophobicContact CG2-CZ 3.78Å; W796-F800 AromaticContact CD1-CE1 3.88Å; W796-F800 AromaticContact NE1-CD1 3.84Å; F800-L802 HydrophobicContact CD2-CD2 4.42Å; F800-L802 HydrophobicContact CD2-CG 4.43Å; F800-L802 HydrophobicContact CE2-CD2 3.87Å; F800-L802 HydrophobicContact CE2-CG 3.94Å; F800-K809 HydrophobicContact CD2-CD 4.18Å; F800-I811 HydrophobicContact CE1-CD1 3.72Å; F800-I811 HydrophobicContact CE1-CG1 4.35Å; F800-I811 HydrophobicContact CZ-CD1 3.86Å; F800-I811 HydrophobicContact CZ-CG1 4.39Å; F800-L1113 HydrophobicContact CB-CD2 3.7Å; F800-L1113 HydrophobicContact CD1-CD2 4.28Å; F800-L1113 HydrophobicContact CG-CD2 4Å
801I86.5Confident78.7Confident70 Ų7049.6 Ų49.636%0.35927%0.272SS..EExtended strand (participates in β ladder)trans-96.5134.7179.3-62.6174.3000109.7P752 I753 L754 K809P752-I801 HydrophobicContact CB-CG2 3.46Å; P752-I801 VanDerWaalsContact CB-CG2 3.46Å; I753-I801 CarbonylContact O-C 3.55Å; I753-I801 WeakPolarHBondContact O-CA 3.47Å; L754-I801 HydrophobicContact CD1-CG1 4.09Å; I801-K809 WeakPolarHBondContact O-CE 2.86Å; I801-K809 PolarHBondContact O-NZ 3.15Å
802L84.3Confident79Confident3 Ų343.6 Ų43.62%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-98.2116.6166.1-71.7174.5000109.7L745 P752 I753 V755 F800 K809L745-L802 HydrophobicContact CB-CD1 4.38Å; L745-L802 HydrophobicContact CB-CD2 3.84Å; P752-L802 WeakPolarHBondContact CA-O 3.43Å; I753-L802 PolarHBondContact N-O 2.86Å; I753-L802 PolarHBondContact O-N 3.18Å; V755-L802 HydrophobicContact CG2-CD1 3.65Å; V755-L802 HydrophobicContact CG2-CG 3.93Å; F800-L802 HydrophobicContact CD2-CD2 4.42Å; F800-L802 HydrophobicContact CD2-CG 4.43Å; F800-L802 HydrophobicContact CE2-CD2 3.87Å; F800-L802 HydrophobicContact CE2-CG 3.94Å; L802-K809 HydrophobicContact CD2-CB 4.32Å; L802-K809 HydrophobicContact CD2-CD 4.16Å; L802-K809 HydrophobicContact CD2-CG 4.03Å
803N83Confident79.2Confident47 Ų4742.2 Ų42.225%0.25124%0.235SC..PPolyproline II helixtrans-98.9161.9169.9-54.7-72.5000111P752 T805 E806P752-N803 WeakPolarHBondContact CB-OD1 3.43Å; P752-N803 WeakPolarHBondContact CG-OD1 3.43Å; N803-T805 WeakPolarHBondContact CB-OG1 3.44Å; N803-E806 HydrophobicContact CB-CG 4.33Å; N803-E806 WeakPolarHBondContact CB-OE2 3.33Å; N803-E806 PolarHBondContact N-OE2 2.83Å; N803-E806 PolarHBondContact ND2-OE2 2.91Å
804S80Confident78.9Confident61 Ų6139.1 Ų39.143%0.42721%0.213SC..SBendtrans-82.9-14.8171.343.20000113.7A749 E806A749-S804 VanDerWaalsContact O-CB 3.32Å; A749-S804 WeakPolarHBondContact O-CB 3.4Å; A749-S804 PolarHBondContact O-OG 2.87Å; S804-E806 VanDerWaalsContact C-N 3.29Å
805T73.1Confident78.6Confident113 Ų11337 Ų3769%0.69320%0.204SC*.SBendtrans-79.8-7.117650.70000114N803N803-T805 WeakPolarHBondContact CB-OG1 3.44Å
806E71.7Confident77.8Confident31 Ų3137.1 Ų37.115%0.14520%0.202CC..SBendtrans-103.5129.3-178.6-64.1173.6102.500109.1N803 S804 F808 K809 S1115N803-E806 HydrophobicContact CB-CG 4.33Å; N803-E806 WeakPolarHBondContact CB-OE2 3.33Å; N803-E806 PolarHBondContact N-OE2 2.83Å; N803-E806 PolarHBondContact ND2-OE2 2.91Å; S804-E806 VanDerWaalsContact C-N 3.29Å; E806-F808 VanDerWaalsContact C-N 3.27Å; E806-F808 PolarHBondContact O-N 2.92Å; E806-K809 VanDerWaalsContact CD-NZ 3.27Å; E806-K809 WeakPolarHBondContact OE1-CE 3.4Å; E806-K809 IonicContact OE1-NZ 3.89Å; E806-K809 PolarHBondContact OE1-NZ 3.2Å; E806-K809 WeakPolarHBondContact OE2-CE 3.42Å; E806-K809 IonicContact OE2-NZ 2.73Å; E806-K809 PolarHBondContact OE2-NZ 2.83Å; E806-S1115 WeakPolarHBondContact OE1-CB 3.44Å; E806-S1115 PolarHBondContact OE1-OG 3.35Å
807K70Confident76.6Confident87 Ų8740.7 Ų40.738%0.37823%0.228SC..SBendtrans-57.9-44.4-176.4-108.8166.9167.6164.30111.1R746 L1116 D1118R746-K807 WeakPolarHBondContact CD-O 3.36Å; R746-K807 WeakPolarHBondContact CG-O 3.46Å; R746-K807 PolarHBondContact NE-O 3.01Å; K807-L1116 HydrophobicContact CB-CD2 4.36Å; K807-L1116 WeakPolarHBondContact CB-O 3.15Å; K807-L1116 HydrophobicContact CD-CD2 4.4Å; K807-L1116 PolarHBondContact N-O 3Å; K807-D1118 WeakPolarHBondContact CD-OD2 3.42Å; K807-D1118 VanDerWaalsContact CE-CG 3.44Å; K807-D1118 WeakPolarHBondContact CE-OD1 3.29Å; K807-D1118 WeakPolarHBondContact CE-OD2 3.34Å; K807-D1118 WeakPolarHBondContact CG-OD2 3.45Å; K807-D1118 IonicContact NZ-OD1 2.65Å; K807-D1118 PolarHBondContact NZ-OD1 3.29Å; K807-D1118 IonicContact NZ-OD2 3.61Å
808F77.1Confident75.5Confident17 Ų1742.7 Ų42.78%0.07523%0.233CC..EExtended strand (participates in β ladder)trans-168.3160.2164.748.8-97.3000109.7F744 L745 E806 V810 L934 L1116 Y1128F744-F808 AromaticContact CD1-CD2 3.76Å; F744-F808 HydrophobicContact CD1-CD2 3.76Å; F744-F808 AromaticContact CD1-CE2 3.81Å; F744-F808 HydrophobicContact CD1-CE2 3.81Å; F744-F808 HydrophobicContact CD1-CG 4.36Å; F744-F808 HydrophobicContact CD1-CZ 4.43Å; F744-F808 HydrophobicContact CE1-CD2 4.27Å; F744-F808 AromaticContact CE1-CE2 3.84Å; F744-F808 HydrophobicContact CE1-CE2 3.84Å; F744-F808 HydrophobicContact CE1-CZ 4.37Å; L745-F808 CarbonylContact O-C 3.6Å; L745-F808 VanDerWaalsContact O-CA 3.27Å; L745-F808 WeakPolarHBondContact O-CA 3.47Å; L745-F808 WeakPolarHBondContact O-CB 3.23Å; E806-F808 VanDerWaalsContact C-N 3.27Å; E806-F808 PolarHBondContact O-N 2.92Å; F808-V810 HydrophobicContact CD2-CG2 3.57Å; F808-V810 HydrophobicContact CE2-CG2 3.62Å; F808-L934 HydrophobicContact CE1-CD2 3.95Å; F808-L934 HydrophobicContact CZ-CD1 4.11Å; F808-L934 HydrophobicContact CZ-CD2 4.18Å; F808-L1116 HydrophobicContact CD2-CB 4.46Å; F808-L1116 HydrophobicContact CE1-CD2 3.7Å; F808-L1116 HydrophobicContact CE2-CB 4.14Å; F808-L1116 HydrophobicContact CE2-CD2 4.07Å; F808-L1116 HydrophobicContact CZ-CB 4.34Å; F808-L1116 HydrophobicContact CZ-CD2 3.43Å; F808-L1116 VanDerWaalsContact CZ-CD2 3.43Å; F808-L1116 PolarHBondContact O-N 2.83Å; F808-Y1128 AromaticContact CE2-CE1 3.99Å; F808-Y1128 HydrophobicContact CE2-CE1 3.99Å
809K83.2Confident74.4Confident13 Ų1345.5 Ų45.56%0.05725%0.249CC..EExtended strand (participates in β ladder)trans-97.5152161-59.6-154.9-179.3-158.20110.6F744 L745 F800 I801 L802 E806 L1114 I1131F744-K809 WeakPolarHBondContact CA-O 3.47Å; L745-K809 PolarHBondContact N-O 3.14Å; L745-K809 PolarHBondContact O-N 2.82Å; F800-K809 HydrophobicContact CD2-CD 4.18Å; I801-K809 WeakPolarHBondContact O-CE 2.86Å; I801-K809 PolarHBondContact O-NZ 3.15Å; L802-K809 HydrophobicContact CD2-CB 4.32Å; L802-K809 HydrophobicContact CD2-CD 4.16Å; L802-K809 HydrophobicContact CD2-CG 4.03Å; E806-K809 VanDerWaalsContact CD-NZ 3.27Å; E806-K809 WeakPolarHBondContact OE1-CE 3.4Å; E806-K809 IonicContact OE1-NZ 3.89Å; E806-K809 PolarHBondContact OE1-NZ 3.2Å; E806-K809 WeakPolarHBondContact OE2-CE 3.42Å; E806-K809 IonicContact OE2-NZ 2.73Å; E806-K809 PolarHBondContact OE2-NZ 2.83Å; K809-L1114 WeakPolarHBondContact CA-O 3.33Å; K809-I1131 HydrophobicContact CD-CD1 4.15Å
810V79.9Confident73.4Confident0 Ų042.2 Ų42.20%024%0.237CC..EExtended strand (participates in β ladder)trans-125.5118.5170.1-169.90000109.5A742 V743 F744 F808 F931 L1114 Y1128A742-V810 HydrophobicContact CB-CG1 3.67Å; V743-V810 WeakPolarHBondContact O-CA 3.34Å; F744-V810 HydrophobicContact CD1-CG2 3.51Å; F744-V810 HydrophobicContact CE1-CG1 4.41Å; F744-V810 HydrophobicContact CE1-CG2 3.47Å; F744-V810 VanDerWaalsContact CE1-CG2 3.47Å; F744-V810 HydrophobicContact CE2-CG1 4.36Å; F744-V810 HydrophobicContact CG-CG2 4.19Å; F744-V810 HydrophobicContact CZ-CG1 4.26Å; F744-V810 HydrophobicContact CZ-CG2 4.13Å; F808-V810 HydrophobicContact CD2-CG2 3.57Å; F808-V810 HydrophobicContact CE2-CG2 3.62Å; V810-F931 HydrophobicContact CG1-CE1 4.13Å; V810-L1114 PolarHBondContact N-O 3.11Å; V810-L1114 PolarHBondContact O-N 3.02Å; V810-Y1128 HydrophobicContact CB-CE1 4.5Å; V810-Y1128 HydrophobicContact CG2-CE1 3.83Å
811I80.5Confident72.1Confident0 Ų044.6 Ų44.60%025%0.25CC..EExtended strand (participates in β ladder)trans-82.1117.8163.8-43.3179.8000106.4A742 V743 L745 V758 W796 F800 L813 L1113A742-I811 WeakPolarHBondContact CA-O 3.18Å; V743-I811 HydrophobicContact CB-CB 4.15Å; V743-I811 HydrophobicContact CB-CG1 4.39Å; V743-I811 PolarHBondContact N-O 3.42Å; V743-I811 PolarHBondContact O-N 2.93Å; L745-I811 HydrophobicContact CD1-CD1 4.3Å; V758-I811 HydrophobicContact CB-CD1 3.74Å; V758-I811 HydrophobicContact CG1-CD1 4.06Å; V758-I811 HydrophobicContact CG2-CD1 3.56Å; W796-I811 HydrophobicContact CB-CD1 4.14Å; W796-I811 HydrophobicContact CB-CG2 4.04Å; W796-I811 HydrophobicContact CD2-CG2 3.35Å; W796-I811 HydrophobicContact CE3-CG2 3.32Å; W796-I811 HydrophobicContact CG-CD1 4.08Å; W796-I811 HydrophobicContact CG-CG2 3.67Å; W796-I811 HydrophobicContact CZ3-CG2 3.98Å; F800-I811 HydrophobicContact CE1-CD1 3.72Å; F800-I811 HydrophobicContact CE1-CG1 4.35Å; F800-I811 HydrophobicContact CZ-CD1 3.86Å; F800-I811 HydrophobicContact CZ-CG1 4.39Å; I811-L813 HydrophobicContact CG2-CD2 4.37Å; I811-L813 HydrophobicContact CG2-CG 3.99Å; I811-L1113 HydrophobicContact CG1-CD1 4.03Å
812L76.5Confident71.1Confident0 Ų048.4 Ų48.40%027%0.271CS..EExtended strand (participates in β ladder)trans-102.479.7178-172.669.3000108.5Q740 L741 A742 C814 F931 Y1112Q740-L812 HydrophobicContact CB-CD1 3.85Å; Q740-L812 HydrophobicContact CB-CG 4.3Å; Q740-L812 VanDerWaalsContact NE2-CD2 3.35Å; L741-L812 CarbonylContact O-C 3.51Å; L741-L812 WeakPolarHBondContact O-CA 3.38Å; A742-L812 HydrophobicContact CB-CD1 4.3Å; L812-C814 PolarHBondContact O-N 3.25Å; L812-F931 HydrophobicContact CB-CZ 4.48Å; L812-F931 HydrophobicContact CD1-CE1 3.94Å; L812-F931 HydrophobicContact CD1-CZ 3.73Å; L812-F931 HydrophobicContact CD2-CE2 4.1Å; L812-F931 HydrophobicContact CD2-CZ 3.77Å; L812-F931 HydrophobicContact CG-CZ 4.2Å; L812-Y1112 HydrophobicContact CD2-CD2 4.4Å; L812-Y1112 PolarHBondContact N-O 3.27Å
813L75.7Confident70Confident4 Ų452.7 Ų52.72%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-67.2111.6-179.1-74.3159.9000109.9Q740 L741 V743 Q794 W796 I811 L815Q740-L813 WeakPolarHBondContact CA-O 3.43Å; L741-L813 HydrophobicContact CB-CB 4.27Å; L741-L813 HydrophobicContact CD2-CD1 4.2Å; L741-L813 PolarHBondContact N-O 2.92Å; L741-L813 PolarHBondContact O-N 2.91Å; V743-L813 HydrophobicContact CG2-CD1 4.09Å; Q794-L813 HydrophobicContact CG-CD2 4.28Å; W796-L813 HydrophobicContact CB-CD2 4.2Å; W796-L813 HydrophobicContact CE3-CD2 3.82Å; I811-L813 HydrophobicContact CG2-CD2 4.37Å; I811-L813 HydrophobicContact CG2-CG 3.99Å; L813-L815 VanDerWaalsContact C-N 3.3Å; L813-L815 HydrophobicContact CB-CD2 3.96Å; L813-L815 PolarHBondContact O-N 2.9Å
814C72.8Confident69.3Low16 Ų1651.9 Ų51.911%0.10829%0.286CS..EExtended strand (participates in β ladder)trans-68.193.8158.2-62.30000108.5P738 V739 Q740 L812 D1111 K1136P738-C814 HydrophobicContact CB-CB 4.28Å; V739-C814 CarbonylContact O-C 3.6Å; V739-C814 WeakPolarHBondContact O-CA 3.36Å; Q740-C814 PolarHBondContact NE2-SG 3.04Å; Q740-C814 VanDerWaalsContact NE2-SG 3.41Å; L812-C814 PolarHBondContact O-N 3.25Å; C814-D1111 VanDerWaalsContact CB-OD1 3.31Å; C814-D1111 WeakPolarHBondContact CB-OD1 3.39Å; C814-D1111 PolarHBondContact N-OD1 3.2Å; C814-D1111 PolarHBondContact SG-OD1 2.91Å; C814-K1136 PolarHBondContact O-NZ 3.11Å
815L68.4Low69.1Low5 Ų552.3 Ų52.33%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-60.8134.4171.8-53.1-174.7000108.3F728 V739 L741 F762 L813 S817 L820F728-L815 HydrophobicContact CD1-CD1 4.36Å; F728-L815 HydrophobicContact CE1-CD1 3.67Å; V739-L815 HydrophobicContact CB-CB 4.37Å; V739-L815 HydrophobicContact CG1-CB 4.36Å; V739-L815 HydrophobicContact CG1-CD1 4.21Å; V739-L815 PolarHBondContact O-N 3.21Å; L741-L815 HydrophobicContact CB-CD1 4.12Å; L741-L815 HydrophobicContact CB-CD2 3.95Å; L741-L815 HydrophobicContact CB-CG 4.1Å; F762-L815 HydrophobicContact CZ-CD2 4.31Å; L813-L815 VanDerWaalsContact C-N 3.3Å; L813-L815 HydrophobicContact CB-CD2 3.96Å; L813-L815 PolarHBondContact O-N 2.9Å; L815-S817 PolarHBondContact O-N 2.99Å; L815-L820 HydrophobicContact CB-CD1 3.62Å; L815-L820 HydrophobicContact CB-CD2 4.2Å; L815-L820 HydrophobicContact CB-CG 4.39Å; L815-L820 HydrophobicContact CD1-CD1 4.32Å; L815-L820 HydrophobicContact CD1-CD2 4.05Å
816N62.4Low69.2Low62 Ų6248.1 Ų48.133%0.33226%0.255SS..  trans-71.4121.5-180-174.319.3000110.1D818 V819 L820N816-D818 PolarHBondContact ND2-OD2 2.91Å; N816-D818 PolarHBondContact O-N 2.77Å; N816-D818 PolarHBondContact OD1-OD2 2.86Å; N816-V819 HydrophobicContact CB-CG2 4.05Å; N816-V819 PolarHBondContact O-N 2.99Å; N816-L820 WeakPolarHBondContact O-CD1 3.21Å; N816-L820 WeakPolarHBondContact O-CG 3.48Å
817S58.1Low69.5Low79 Ų7947.3 Ų47.355%0.55225%0.252SS*.G310 helixtrans-51.2-32.1178.543.50000113.4L815 V819L815-S817 PolarHBondContact O-N 2.99Å; S817-V819 PolarHBondContact O-N 2.86Å
818D54.2Low70.1Confident135 Ų13543.9 Ų43.972%0.72224%0.238SC*.G310 helixtrans-72.3-14.2-176.2-38.9-31.6000113.6N816N816-D818 PolarHBondContact ND2-OD2 2.91Å; N816-D818 PolarHBondContact O-N 2.77Å; N816-D818 PolarHBondContact OD1-OD2 2.86Å
819V57.2Low70.5Confident85 Ų8543.1 Ų43.152%0.51524%0.235SC..G310 helixtrans-108.22.7-172.7-169.40000111.6N816 S817N816-V819 HydrophobicContact CB-CG2 4.05Å; N816-V819 PolarHBondContact O-N 2.99Å; S817-V819 PolarHBondContact O-N 2.86Å
820L60Low70.7Confident46 Ų4645 Ų4524%0.24124%0.244CC..  trans-112.6118.3-167.1-63.6172000112V739 L815 N816 I824V739-L820 HydrophobicContact CB-CD1 3.79Å; V739-L820 HydrophobicContact CG1-CD1 3.77Å; V739-L820 HydrophobicContact CG2-CD1 4.04Å; L815-L820 HydrophobicContact CB-CD1 3.62Å; L815-L820 HydrophobicContact CB-CD2 4.2Å; L815-L820 HydrophobicContact CB-CG 4.39Å; L815-L820 HydrophobicContact CD1-CD1 4.32Å; L815-L820 HydrophobicContact CD1-CD2 4.05Å; N816-L820 WeakPolarHBondContact O-CD1 3.21Å; N816-L820 WeakPolarHBondContact O-CG 3.48Å; L820-I824 HydrophobicContact CB-CD1 4.1Å; L820-I824 HydrophobicContact CD2-CD1 3.95Å; L820-I824 HydrophobicContact CD2-CG1 4.17Å
821D60.2Low71.1Confident62 Ų6245 Ų4533%0.33224%0.244SC..  trans-76.7168172-75.5-69.2000112.5N764 Q823 I824N764-D821 HydrophobicContact CB-CB 4.24Å; N764-D821 WeakPolarHBondContact CB-OD2 3.3Å; N764-D821 PolarHBondContact ND2-OD2 3.12Å; D821-Q823 PolarHBondContact O-N 3.34Å; D821-I824 VanDerWaalsContact O-CD1 3.26Å; D821-I824 WeakPolarHBondContact O-CD1 3.28Å
822N63.9Low71.5Confident150 Ų15045 Ų4580%0.80224%0.244SC*.SBendtrans-51.9-24.4177.3-70.3-33.1000115
823Q62.8Low72Confident93 Ų9345.5 Ų45.544%0.43525%0.246SC..  trans-142.4126.8176.7-65.6-175.724.800111.3K765 D821K765-Q823 HydrophobicContact CB-CB 4.21Å; K765-Q823 PolarHBondContact N-O 3.38Å; D821-Q823 PolarHBondContact O-N 3.34Å
824I68.1Low72.2Confident30 Ų3045.5 Ų45.515%0.15425%0.247CC..EExtended strand (participates in β ladder)trans-125.7141.1177.6-55.1111000109.1F728 F762 L820 D821F728-I824 HydrophobicContact CZ-CB 4.46Å; F728-I824 HydrophobicContact CZ-CG2 4.17Å; F762-I824 HydrophobicContact CB-CG2 3.77Å; F762-I824 HydrophobicContact CD1-CG2 3.63Å; F762-I824 HydrophobicContact CE1-CG2 4.49Å; F762-I824 HydrophobicContact CG-CG2 3.92Å; L820-I824 HydrophobicContact CB-CD1 4.1Å; L820-I824 HydrophobicContact CD2-CD1 3.95Å; L820-I824 HydrophobicContact CD2-CG1 4.17Å; D821-I824 VanDerWaalsContact O-CD1 3.26Å; D821-I824 WeakPolarHBondContact O-CD1 3.28Å
825K75.5Confident72.4Confident71 Ų7144.8 Ų44.831%0.30924%0.242SC..EExtended strand (participates in β ladder)trans-134.1143.6171.3-176.1-125.2165.2-1550109.7F762 S763 D827 W857 T859F762-K825 CarbonylContact C-O 3.53Å; F762-K825 WeakPolarHBondContact CA-O 3.32Å; F762-K825 WeakPolarHBondContact CB-O 3.47Å; S763-K825 PolarHBondContact N-O 3.27Å; S763-K825 PolarHBondContact O-N 2.84Å; K825-D827 IonicContact NZ-OD1 3.75Å; K825-D827 PolarHBondContact NZ-OD1 3.48Å; K825-W857 PolarHBondContact NZ-O 3.42Å; K825-T859 VanDerWaalsContact NZ-CG2 3.31Å
826V76Confident72.6Confident25 Ų2546 Ų4615%0.15225%0.25CC..EExtended strand (participates in β ladder)trans-79134.9173178.10000110.1V726 F728 V760 F762 I829V726-V826 HydrophobicContact CG1-CG2 4Å; F728-V826 HydrophobicContact CE2-CG2 4.47Å; V760-V826 HydrophobicContact CG1-CG1 3.79Å; V760-V826 HydrophobicContact CG1-CG2 4.06Å; F762-V826 HydrophobicContact CD1-CG2 3.85Å; F762-V826 HydrophobicContact CE1-CG2 3.84Å; V826-I829 HydrophobicContact CG1-CG1 4.2Å
827D77.1Confident72.4Confident14 Ų1447.3 Ų47.38%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-107.1-47.9178.9-80.9-8.9000112.8T761 S763 Q791 K825 W857T761-D827 PolarHBondContact O-N 3.17Å; S763-D827 VanDerWaalsContact CB-OD2 3.28Å; S763-D827 WeakPolarHBondContact CB-OD2 3.37Å; S763-D827 VanDerWaalsContact OG-CG 3.3Å; S763-D827 PolarHBondContact OG-OD1 3.21Å; S763-D827 PolarHBondContact OG-OD2 3.13Å; Q791-D827 PolarHBondContact NE2-OD2 3.42Å; K825-D827 IonicContact NZ-OD1 3.75Å; K825-D827 PolarHBondContact NZ-OD1 3.48Å; D827-W857 PolarHBondContact O-N 2.95Å
828S82.9Confident72.1Confident14 Ų1448.9 Ų48.910%0.09826%0.261CS..EExtended strand (participates in β ladder)trans-150.1156.1178.271.50000112.4T761 H830 W855T761-S828 PolarHBondContact N-O 3.08Å; T761-S828 WeakPolarHBondContact OG1-CA 3.44Å; T761-S828 PolarHBondContact OG1-N 2.94Å; T761-S828 PolarHBondContact OG1-O 3.2Å; T761-S828 PolarHBondContact OG1-OG 3.29Å; S828-H830 WeakPolarHBondContact CB-NE2 3.46Å; S828-H830 PolarHBondContact OG-NE2 2.87Å; S828-W855 VanDerWaalsContact CA-O 3.23Å; S828-W855 WeakPolarHBondContact CA-O 3.45Å; S828-W855 VanDerWaalsContact CB-O 3.22Å; S828-W855 WeakPolarHBondContact CB-O 3.41Å
829I85.1Confident71.5Confident1 Ų149.7 Ų49.71%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-127135.3176.8-53.1163000108.2C724 V726 V758 V826 S854 W855 W857C724-I829 VanDerWaalsContact SG-CD1 3.56Å; V726-I829 HydrophobicContact CB-CD1 4.28Å; V726-I829 HydrophobicContact CG2-CD1 3.3Å; V726-I829 HydrophobicContact CG2-CG1 4.2Å; V758-I829 HydrophobicContact CG1-CG2 4.28Å; V826-I829 HydrophobicContact CG1-CG1 4.2Å; I829-S854 WeakPolarHBondContact O-CA 3.33Å; I829-W855 PolarHBondContact N-O 3.5Å; I829-W855 PolarHBondContact O-N 3.25Å; I829-W855 VanDerWaalsContact O-N 3.11Å; I829-W857 HydrophobicContact CB-CZ3 4.49Å; I829-W857 HydrophobicContact CD1-CH2 3.76Å; I829-W857 HydrophobicContact CD1-CZ3 3.58Å; I829-W857 HydrophobicContact CG1-CZ3 3.9Å
830H87.5Confident70.7Confident54 Ų5449.5 Ų49.525%0.2527%0.267CS..EExtended strand (participates in β ladder)trans-125.2124.1-178.8-60.1-93.9000109.5T759 S828 T852 S854T759-H830 PolarHBondContact N-O 3.45Å; T759-H830 PolarHBondContact O-N 2.95Å; S828-H830 WeakPolarHBondContact CB-NE2 3.46Å; S828-H830 PolarHBondContact OG-NE2 2.87Å; H830-T852 HydrophobicContact CB-CG2 3.86Å; H830-S854 WeakPolarHBondContact ND1-CB 3.18Å
831L89.2Confident69.8Low0 Ų057.2 Ų57.20%030%0.295CS..EExtended strand (participates in β ladder)trans-109.2118.9173.2-57.4175.8000108.6I722 L745 V755 V758 L833 T852 V853 W855I722-L831 HydrophobicContact CG2-CD1 3.87Å; L745-L831 HydrophobicContact CD1-CD2 4.02Å; L745-L831 HydrophobicContact CD2-CD1 3.75Å; L745-L831 HydrophobicContact CD2-CD2 3.94Å; L745-L831 HydrophobicContact CD2-CG 4.44Å; V755-L831 HydrophobicContact CG1-CD2 4.45Å; V758-L831 HydrophobicContact CB-CD2 4.04Å; V758-L831 HydrophobicContact CG1-CD2 3.68Å; V758-L831 HydrophobicContact CG2-CD2 3.4Å; V758-L831 VanDerWaalsContact CG2-CD2 3.4Å; L831-L833 HydrophobicContact CB-CD2 3.86Å; L831-L833 PolarHBondContact O-N 2.88Å; L831-T852 WeakPolarHBondContact O-CA 3.49Å; L831-V853 HydrophobicContact CB-CG2 3.89Å; L831-V853 HydrophobicContact CD1-CG2 4.36Å; L831-V853 PolarHBondContact N-O 3.41Å; L831-V853 PolarHBondContact O-N 3.13Å; L831-W855 HydrophobicContact CD1-CH2 3.63Å; L831-W855 HydrophobicContact CD1-CZ3 3.53Å; L831-W855 HydrophobicContact CG-CH2 4.42Å; L831-W855 HydrophobicContact CG-CZ3 3.83Å
832C88Confident69Low0 Ų062.6 Ų62.60%032%0.318CS..EExtended strand (participates in β ladder)trans-85.4107172.9-1720000109.4V755 H756 H757V755-C832 WeakPolarHBondContact CA-O 3.21Å; H756-C832 HydrophobicContact CB-CB 4.11Å; H756-C832 PolarHBondContact N-O 3.29Å; H757-C832 VanDerWaalsContact CE1-CB 3.46Å; H757-C832 WeakPolarHBondContact CE1-CB 3.34Å; H757-C832 WeakPolarHBondContact NE2-CB 3.47Å; H757-C832 PolarHBondContact O-N 2.9Å
833L87.9Confident67.9Low9 Ų963 Ų635%0.04732%0.32CS..EExtended strand (participates in β ladder)trans-96.2141.3-176-49-176.2000111.4I722 I753 V755 L831 C851 V853I722-L833 HydrophobicContact CD1-CD1 3.64Å; I722-L833 HydrophobicContact CD1-CD2 3.76Å; I722-L833 HydrophobicContact CD1-CG 4.37Å; I753-L833 HydrophobicContact CG2-CB 4.35Å; I753-L833 HydrophobicContact CG2-CD2 4.07Å; V755-L833 HydrophobicContact CG2-CD2 4.25Å; L831-L833 HydrophobicContact CB-CD2 3.86Å; L831-L833 PolarHBondContact O-N 2.88Å; L833-C851 WeakPolarHBondContact CB-O 3.43Å; L833-C851 PolarHBondContact N-O 3.25Å; L833-C851 PolarHBondContact O-N 3.09Å; L833-V853 HydrophobicContact CD1-CB 4.39Å; L833-V853 HydrophobicContact CD1-CG1 3.71Å; L833-V853 HydrophobicContact CD1-CG2 3.77Å; L833-V853 HydrophobicContact CD2-CG2 4.31Å; L833-V853 HydrophobicContact CG-CG1 4.46Å; L833-V853 HydrophobicContact CG-CG2 4.03Å
834S79.8Confident67Low4 Ų462.6 Ų62.63%0.02832%0.324CS..EExtended strand (participates in β ladder)trans-142.2168.4171.572.80000111.3L754 H756L754-S834 WeakPolarHBondContact CB-OG 3.31Å; L754-S834 WeakPolarHBondContact CD2-OG 3.09Å; L754-S834 WeakPolarHBondContact CG-OG 3.41Å; L754-S834 PolarHBondContact N-O 3.06Å; L754-S834 PolarHBondContact O-N 3.47Å; H756-S834 PolarHBondContact CE1-OG 3.26Å; H756-S834 WeakPolarHBondContact ND1-CB 3.2Å; H756-S834 PolarHBondContact ND1-OG 2.84Å
835P75.8Confident65.9Low2 Ų265.2 Ų65.21%0.01334%0.337CS..PPolyproline II helixtrans-58.5149.2164.3-17.129.9000111.1F634 L637 K638 L754F634-P835 HydrophobicContact CB-CB 4.06Å; F634-P835 HydrophobicContact CB-CG 4.1Å; F634-P835 HydrophobicContact CD1-CB 3.86Å; F634-P835 HydrophobicContact CD1-CG 4.04Å; F634-P835 HydrophobicContact CE1-CB 4.44Å; F634-P835 HydrophobicContact CG-CB 3.97Å; F634-P835 HydrophobicContact CG-CG 4.32Å; L637-P835 HydrophobicContact CB-CG 3.97Å; K638-P835 HydrophobicContact CG-CG 3.95Å; L754-P835 WeakPolarHBondContact CB-O 3.32Å
836P72.1Confident64.6Low29 Ų2963.9 Ų63.919%0.18834%0.343CS..PPolyproline II helixtrans-65.1136.5161.530-33.9000109.4F634 P752F634-P836 HydrophobicContact CE2-CG 4.21Å; F634-P836 VanDerWaalsContact CZ-CD 3.44Å; F634-P836 HydrophobicContact CZ-CG 4.36Å; P752-P836 WeakPolarHBondContact O-CD 3.28Å; P752-P836 WeakPolarHBondContact O-CG 3.31Å
837M59.9Low63.7Low90 Ų9067.8 Ų67.844%0.44336%0.36SS..PPolyproline II helixtrans-84.5127.1176-79-62.1-175.500110.7C840 L848M837-C840 HydrophobicContact SD-CB 4.13Å; M837-L848 HydrophobicContact CE-CD1 3.52Å; M837-L848 HydrophobicContact CE-CD2 3.89Å; M837-L848 HydrophobicContact CE-CG 4.26Å
838V50.1Low63.2Low112 Ų11268.3 Ų68.368%0.67936%0.363SS*.  trans-123110.1169.7-177.90000106.6C840V838-C840 PolarHBondContact O-N 3.37Å
839N42.8Very low62.7Low153 Ų15368 Ų6882%0.81836%0.36SS*.SBendtrans56.543.5169.8-55.9-8.3000116.7
840C39.7Very low62.3Low81 Ų8168.8 Ų68.855%0.54736%0.364SS..  trans-91.3126.2160.3-66.90000109.9M837 V838M837-C840 HydrophobicContact SD-CB 4.13Å; V838-C840 PolarHBondContact O-N 3.37Å
841Y42.1Very low62.1Low207 Ų20766.4 Ų66.481%0.81235%0.353SS*.  trans-64.5156.1166.1-67.3-98.5000109.9D843Y841-D843 VanDerWaalsContact C-N 3.26Å; Y841-D843 PolarHBondContact O-N 3.01Å
842E42.9Very low62Low175 Ų17566.5 Ų66.582%0.81835%0.354SS*.G310 helixtrans-64.5-19.4-157.4-59.4-170.1116.600115.9V844E842-V844 PolarHBondContact O-N 2.89Å
843D39.8Very low62Low160 Ų16066.5 Ų66.586%0.85635%0.354SS*.G310 helixtrans-77-8.2-167.3-63.8-56.8000116.6Y841Y841-D843 VanDerWaalsContact C-N 3.26Å; Y841-D843 PolarHBondContact O-N 3.01Å
844V44.8Very low61.9Low84 Ų8466.3 Ų66.351%0.50935%0.353SS..G310 helixtrans-101.610.9-171.9-155.70000113.5E842 G846 E847E842-V844 PolarHBondContact O-N 2.89Å; V844-G846 VanDerWaalsContact C-N 3.31Å; V844-G846 PolarHBondContact O-N 3.39Å; V844-E847 HydrophobicContact CG1-CB 4.24Å; V844-E847 HydrophobicContact CG1-CG 4.2Å; V844-E847 PolarHBondContact O-N 2.78Å
845I45.4Very low62.1Low85 Ų8567.5 Ų67.544%0.43636%0.357SS..G310 helixtrans-65.9-31.3-175.3-64.9173.3000112.6E847I845-E847 PolarHBondContact O-N 3.49Å
846G47.9Very low62.2Low42 Ų4272.2 Ų72.243%0.43338%0.379SS..G310 helixtrans-73.612.8-179.200000116.1V844V844-G846 VanDerWaalsContact C-N 3.31Å; V844-G846 PolarHBondContact O-N 3.39Å
847E57.1Low62Low108 Ų10876.4 Ų76.451%0.50539%0.391SS..G310 helixtrans-118.3-1.8-172-68.9-114.2109.700115.2K708 V844 I845K708-E847 WeakPolarHBondContact CD-O 3.35Å; K708-E847 WeakPolarHBondContact CE-OE1 3.38Å; K708-E847 IonicContact NZ-OE1 3.69Å; K708-E847 PolarHBondContact NZ-OE1 2.91Å; K708-E847 IonicContact NZ-OE2 3.09Å; K708-E847 PolarHBondContact NZ-OE2 3.27Å; V844-E847 HydrophobicContact CG1-CB 4.24Å; V844-E847 HydrophobicContact CG1-CG 4.2Å; V844-E847 PolarHBondContact O-N 2.78Å; I845-E847 PolarHBondContact O-N 3.49Å
848L66.3Low61.6Low25 Ų2578.3 Ų78.313%0.13140%0.403CS..  trans-87150.8-170.6-65.2164000114M837M837-L848 HydrophobicContact CE-CD1 3.52Å; M837-L848 HydrophobicContact CE-CD2 3.89Å; M837-L848 HydrophobicContact CE-CG 4.26Å
849I72.3Confident61.3Low7 Ų776.3 Ų76.34%0.03639%0.391CS..EExtended strand (participates in β ladder)trans-95.4129.1169.1-59.3167.5000108.4L637 L666 C709 I711L637-I849 HydrophobicContact CD2-CB 4.37Å; L637-I849 HydrophobicContact CD2-CG2 4.08Å; L637-I849 PolarHBondContact O-N 2.93Å; L637-I849 VanDerWaalsContact O-N 3.12Å; L666-I849 HydrophobicContact CD1-CD1 3.68Å; L666-I849 HydrophobicContact CD1-CG1 4.3Å; L666-I849 HydrophobicContact CD2-CD1 3.93Å; L666-I849 HydrophobicContact CG-CD1 4.49Å; C709-I849 HydrophobicContact CB-CG1 4.37Å; C709-I849 HydrophobicContact CB-CG2 4.31Å; I711-I849 HydrophobicContact CD1-CG2 3.93Å; I711-I849 HydrophobicContact CG1-CG2 4.36Å
850L76.8Confident61Low18 Ų1878.4 Ų78.49%0.09439%0.393CS..EExtended strand (participates in β ladder)trans-104.6131.6-178.7-66.4177.1000111.3E707 C709 I711E707-L850 HydrophobicContact CG-CD1 4.28Å; C709-L850 PolarHBondContact O-N 3.31Å; I711-L850 PolarHBondContact N-O 3.39Å
851C83.7Confident60.6Low4 Ų478.3 Ų78.33%0.02739%0.393CS..EExtended strand (participates in β ladder)trans-106.3108.4177.2-173.80000110L637 I711 L833L637-C851 HydrophobicContact CD1-CB 4.43Å; L637-C851 HydrophobicContact CD2-CB 3.93Å; I711-C851 CarbonylContact O-C 3.53Å; I711-C851 WeakPolarHBondContact O-CA 3.47Å; L833-C851 WeakPolarHBondContact CB-O 3.43Å; L833-C851 PolarHBondContact N-O 3.25Å; L833-C851 PolarHBondContact O-N 3.09Å
852T87.5Confident60Low1 Ų175 Ų751%0.00639%0.39CS..EExtended strand (participates in β ladder)trans-87.4111.6171.6-56.60000109.4R710 I711 S712 L713 H830 L831R710-T852 PolarHBondContact NE-OG1 3.11Å; R710-T852 PolarHBondContact NH2-OG1 2.72Å; R710-T852 VanDerWaalsContact NH2-OG1 3.07Å; I711-T852 PolarHBondContact O-N 3.23Å; S712-T852 CarbonylContact C-O 3.58Å; S712-T852 WeakPolarHBondContact CA-O 3.2Å; L713-T852 PolarHBondContact N-O 3.25Å; H830-T852 HydrophobicContact CB-CG2 3.86Å; L831-T852 WeakPolarHBondContact O-CA 3.49Å
853V87Confident59.3Low1 Ų172.7 Ų72.71%0.00637%0.374CS..EExtended strand (participates in β ladder)trans-91.6142.5166-60.80000109.8L612 I715 L831 L833 W855L612-V853 HydrophobicContact CD1-CG1 3.91Å; I715-V853 HydrophobicContact CD1-CB 3.78Å; I715-V853 HydrophobicContact CD1-CG1 4.36Å; I715-V853 HydrophobicContact CD1-CG2 4.1Å; I715-V853 HydrophobicContact CG1-CB 4.19Å; I715-V853 HydrophobicContact CG2-CB 4.46Å; I715-V853 HydrophobicContact CG2-CG1 4.41Å; L831-V853 HydrophobicContact CB-CG2 3.89Å; L831-V853 HydrophobicContact CD1-CG2 4.36Å; L831-V853 PolarHBondContact N-O 3.41Å; L831-V853 PolarHBondContact O-N 3.13Å; L833-V853 HydrophobicContact CD1-CB 4.39Å; L833-V853 HydrophobicContact CD1-CG1 3.71Å; L833-V853 HydrophobicContact CD1-CG2 3.77Å; L833-V853 HydrophobicContact CD2-CG2 4.31Å; L833-V853 HydrophobicContact CG-CG1 4.46Å; L833-V853 HydrophobicContact CG-CG2 4.03Å; V853-W855 HydrophobicContact CG2-CH2 4.11Å; V853-W855 HydrophobicContact CG2-CZ3 4.05Å
854S85.3Confident58.6Low5 Ų573 Ų734%0.03537%0.37CS..EExtended strand (participates in β ladder)trans-139.8148.9-171.764.40000114L713 I715 I829 H830L713-S854 PolarHBondContact O-N 3.06Å; L713-S854 PolarHBondContact O-OG 3.36Å; I715-S854 WeakPolarHBondContact CG1-O 3.43Å; I715-S854 PolarHBondContact N-O 3.21Å; I829-S854 WeakPolarHBondContact O-CA 3.33Å; H830-S854 WeakPolarHBondContact ND1-CB 3.18Å
855W84.1Confident57.6Low28 Ų2874 Ų7411%0.10638%0.378CS..EExtended strand (participates in β ladder)trans-120.9135.1171.2-65.3-98.3000109.6I715 T716 I722 C724 S828 I829 L831 V853 W857I715-W855 HydrophobicContact CD1-CD2 4.43Å; I715-W855 HydrophobicContact CD1-CH2 3.72Å; I715-W855 HydrophobicContact CD1-CZ2 3.4Å; I715-W855 VanDerWaalsContact CD1-CZ2 3.4Å; I715-W855 HydrophobicContact CD1-CZ3 4.34Å; I715-W855 HydrophobicContact CG1-CD2 4.33Å; I715-W855 HydrophobicContact CG1-CZ2 4.15Å; T716-W855 WeakPolarHBondContact OG1-CA 3.39Å; I722-W855 HydrophobicContact CB-CH2 4.4Å; I722-W855 HydrophobicContact CG2-CH2 3.91Å; I722-W855 HydrophobicContact CG2-CZ2 4.41Å; C724-W855 HydrophobicContact CB-CD2 4.03Å; C724-W855 HydrophobicContact CB-CE3 3.97Å; C724-W855 HydrophobicContact CB-CH2 3.69Å; C724-W855 HydrophobicContact CB-CZ2 3.73Å; C724-W855 HydrophobicContact CB-CZ3 3.83Å; S828-W855 VanDerWaalsContact CA-O 3.23Å; S828-W855 WeakPolarHBondContact CA-O 3.45Å; S828-W855 VanDerWaalsContact CB-O 3.22Å; S828-W855 WeakPolarHBondContact CB-O 3.41Å; I829-W855 PolarHBondContact N-O 3.5Å; I829-W855 PolarHBondContact O-N 3.25Å; I829-W855 VanDerWaalsContact O-N 3.11Å; L831-W855 HydrophobicContact CD1-CH2 3.63Å; L831-W855 HydrophobicContact CD1-CZ3 3.53Å; L831-W855 HydrophobicContact CG-CH2 4.42Å; L831-W855 HydrophobicContact CG-CZ3 3.83Å; V853-W855 HydrophobicContact CG2-CH2 4.11Å; V853-W855 HydrophobicContact CG2-CZ3 4.05Å; W855-W857 HydrophobicContact CB-CE3 4.26Å; W855-W857 HydrophobicContact CB-CH2 3.57Å; W855-W857 HydrophobicContact CB-CZ2 4.39Å; W855-W857 HydrophobicContact CB-CZ3 3.48Å; W855-W857 VanDerWaalsContact CB-CZ3 3.48Å; W855-W857 HydrophobicContact CG-CH2 4.14Å; W855-W857 HydrophobicContact CG-CZ3 4.48Å
856Q78Confident56.4Low101 Ų10181.2 Ų81.247%0.47240%0.402SS..EExtended strand (participates in β ladder)trans-125.1113.6-176.6-60.8-171.97.300112.7T716 N858T716-Q856 PolarHBondContact OG1-N 2.96Å; Q856-N858 PolarHBondContact O-N 3.3Å
857W67.9Low55.2Low117 Ų11786.7 Ų86.744%0.44342%0.421SS..  trans-93.676.7175.3-72.2-89.2000111K825 D827 I829 W855K825-W857 PolarHBondContact NZ-O 3.42Å; D827-W857 PolarHBondContact O-N 2.95Å; I829-W857 HydrophobicContact CB-CZ3 4.49Å; I829-W857 HydrophobicContact CD1-CH2 3.76Å; I829-W857 HydrophobicContact CD1-CZ3 3.58Å; I829-W857 HydrophobicContact CG1-CZ3 3.9Å; W855-W857 HydrophobicContact CB-CE3 4.26Å; W855-W857 HydrophobicContact CB-CH2 3.57Å; W855-W857 HydrophobicContact CB-CZ2 4.39Å; W855-W857 HydrophobicContact CB-CZ3 3.48Å; W855-W857 VanDerWaalsContact CB-CZ3 3.48Å; W855-W857 HydrophobicContact CG-CH2 4.14Å; W855-W857 HydrophobicContact CG-CZ3 4.48Å
858N52.2Low53.6Low130 Ų13087.4 Ų87.470%0.69544%0.438SS*.  trans-50135.9-173.9-166.6-18000113.8Q856Q856-N858 PolarHBondContact O-N 3.3Å
859T43.1Very low51.6Low71 Ų7189 Ų8944%0.43646%0.46SS..  trans-102.714.1-162.7440000115.5K825 S861K825-T859 VanDerWaalsContact NZ-CG2 3.31Å; T859-S861 PolarHBondContact O-N 3.11Å
860K36.4Very low49.1Very low196 Ų196100.2 Ų100.285%0.85250%0.502SS*.SBendtrans-8714.5-170.5-71.7-167.7174.4-177.70116.8
861S31Very low46.5Very low79 Ų79108.8 Ų108.855%0.55254%0.539SS*.SBendtrans-140.8168.7166.959.90000111.6T859T859-S861 PolarHBondContact O-N 3.11Å
862D30.6Very low43.7Very low137 Ų137114.9 Ų114.973%0.73358%0.576SS**  trans7234.5159-45.8-48.9000118.9
863Y28.3Very low40.7Very low127 Ų127122.2 Ų122.250%0.49861%0.613SS.*  trans-95.365.4153.7-84.4-54.8000112.3K765K765-Y863 HydrophobicContact CD-CE1 4.09Å
864H23.7Very low37.6Very low166 Ų166125.5 Ų125.577%0.76965%0.647SS**  trans-89120.1161.5-90-67.9000110.1Y866H864-Y866 PolarHBondContact O-N 2.97Å
865P24.3Very low34.6Very low105 Ų105133.6 Ų133.668%0.68268%0.684SS**  trans-69.2124178.927.4-33.2000110.4L867P865-L867 PolarHBondContact O-N 2.9Å
866Y21.4Very low31.7Very low238 Ų238141.9 Ų141.993%0.93372%0.721SS**  trans-69.976.6172.7-94-91.6000110.9H864 S868H864-Y866 PolarHBondContact O-N 2.97Å; Y866-S868 PolarHBondContact O-N 3.47Å; Y866-S868 VanDerWaalsContact O-N 3.11Å
867L23.1Very low29.2Very low157 Ų157146.1 Ų146.182%0.82274%0.74SS**  trans-61.1112.3165.3-84.2164.1000108.5P865 G869P865-L867 PolarHBondContact O-N 2.9Å; L867-G869 PolarHBondContact O-N 2.92Å
868S22.9Very low26.9Very low123 Ų123149.5 Ų149.586%0.8676%0.76SS**  trans-71.960.1-177.8-164.70000112.4Y866 R870Y866-S868 PolarHBondContact O-N 3.47Å; Y866-S868 VanDerWaalsContact O-N 3.11Å; S868-R870 PolarHBondContact O-N 2.89Å; S868-R870 VanDerWaalsContact O-N 3.1Å
869G22.9Very low25.6Very low59 Ų59149.9 Ų149.961%0.60876%0.762SS**  trans-82.478.518000000111.2L867 K871L867-G869 PolarHBondContact O-N 2.92Å; G869-K871 PolarHBondContact O-N 3.24Å
870R21.4Very low24.7Very low242 Ų242152 Ų15291%0.91378%0.778SS**  trans-62.464.3178.6-166.4-174.4-170.8178.84.6113.1S868 T872S868-R870 PolarHBondContact O-N 2.89Å; S868-R870 VanDerWaalsContact O-N 3.1Å; R870-T872 PolarHBondContact O-N 3.39Å
871K22.5Very low24.3Very low198 Ų198152 Ų15286%0.86178%0.778SS**  trans-77.9114.7177.1-77.1-174.1175177.50109.9G869G869-K871 PolarHBondContact O-N 3.24Å
872T23.6Very low23.8Very low131 Ų131157.8 Ų157.880%0.80479%0.793SS**  trans-62.8148.9179.342.50000112.1R870 G874R870-T872 PolarHBondContact O-N 3.39Å; T872-G874 PolarHBondContact O-N 2.97Å
873I24Very low23.7Very low156 Ų156160.1 Ų160.180%0.880%0.799SS**  trans-68.5101.9-176-63.1166000109.6
874G23.4Very low23.4Very low69 Ų69162.2 Ų162.271%0.71181%0.813SS**  trans-95.797.5174.300000111.4T872 K876T872-G874 PolarHBondContact O-N 2.97Å; G874-K876 PolarHBondContact O-N 3.17Å
875H22.6Very low23.6Very low176 Ų176162.3 Ų162.382%0.81582%0.82SS**  trans-55.7124.5176.4-66.3-93000111.8
876K23.1Very low23.5Very low201 Ų201162.5 Ų162.587%0.87482%0.818SS**  trans-138.2148.1163.3-73.7-163.7174.1-176.50111.1G874G874-K876 PolarHBondContact O-N 3.17Å
877H23.6Very low23.5Very low191 Ų191157.8 Ų157.888%0.88481%0.809SS**  trans-79.3161.3-163.4-69.9-101.1000114.5
878H21.3Very low23.6Very low187 Ų187158.9 Ų158.987%0.86681%0.809SS**  trans-46.9140.2165.1-70.1-86.6000113.1
879N24.1Very low23.5Very low138 Ų138159.9 Ų159.974%0.73881%0.805SS**  trans-154.299.9149.9-148.8-28.9000111
880P24.5Very low23.6Very low117 Ų117164.2 Ų164.276%0.7681%0.814SS**  trans-88.2116.5-178.232.5-30.9000111.6
881K27.5Very low23.7Very low195 Ų195158.9 Ų158.985%0.84881%0.808SS**  trans-134.3148.6169.8-75.4-167.6175.6-177.40112.4
882K21.9Very low23.8Very low200 Ų200156 Ų15687%0.8780%0.802SS**  trans-94135.8-173.1-54173.2-178.71790111.4
883Q26.8Very low23.8Very low186 Ų186155.9 Ų155.987%0.86980%0.797SS**  trans-161.5116.5148.3-99.6143.2-11.700104.3
884H21.8Very low23.7Very low172 Ų172155.2 Ų155.280%0.79680%0.8SS**  50.789.464.2-97.2-70.7000112.9
885D28.4Very low23.7Very low168 Ų168158.1 Ų158.190%0.89880%0.799SS**  trans-146.5165146-115.9-38.4000109.9
886V22Very low23.7Very low108 Ų108157.5 Ų157.566%0.65580%0.802SS**  trans-140.6153.8-156.3166.30000111.8
887L21.2Very low23.6Very low140 Ų140153.3 Ų153.373%0.73380%0.796SS**  trans69.8118.1178.5-68.9147.6000116.5
888H26.4Very low23.5Very low179 Ų179146.7 Ų146.783%0.82978%0.78SS**  -168.8126.895.3-107.8-80.5000111
889D20.8Very low23.6Very low144 Ų144146 Ų14677%0.7778%0.781SS**  trans-69134.8170.6-72.9-61.8000110.8
890N24.7Very low23.6Very low151 Ų151150 Ų15081%0.80779%0.786SS**  trans-144.792.4165.5-151.4-8.4000110.2N892N890-N892 PolarHBondContact O-N 3.39Å
891V23.5Very low23.5Very low130 Ų130150.8 Ų150.879%0.78879%0.793SS**  trans-81.997.7-173.4179.10000110.1
892N24.4Very low23.3Very low137 Ų137149.9 Ų149.973%0.73379%0.789SS**  trans-155.7143166.6-96.8-51.7000112.9N890N890-N892 PolarHBondContact O-N 3.39Å
893N23.7Very low23.4Very low128 Ų128148.1 Ų148.168%0.68478%0.784SS**  trans50.467.7167.3-73.4-18.7000119N895N893-N895 PolarHBondContact O-N 2.86Å; N893-N895 VanDerWaalsContact O-N 3.09Å
894V23.1Very low23.2Very low143 Ų143144.9 Ų144.987%0.86778%0.777SS**  trans-79.476.8149.5-174.30000108.8
895N22.8Very low23.1Very low130 Ų130142.9 Ų142.970%0.69578%0.776SS**  trans-128.62.5172.3-109.1-28000112.7N893 C897N893-N895 PolarHBondContact O-N 2.86Å; N893-N895 VanDerWaalsContact O-N 3.09Å; N895-C897 PolarHBondContact O-N 3.45Å
896N22.2Very low22.9Very low163 Ų163142 Ų14287%0.87277%0.771SS**  trans-81.159.5177.5-75.411.7000112
897C20.8Very low22.8Very low113 Ų113142.4 Ų142.476%0.76478%0.778SS**  trans-100.860.5165.4-64.50000109.6N895N895-C897 PolarHBondContact O-N 3.45Å
898G22.1Very low22.9Very low52 Ų52141.6 Ų141.654%0.53678%0.779SS.*  trans-64.8152164.300000110.1W900G898-W900 VanDerWaalsContact C-N 3.3Å; G898-W900 PolarHBondContact O-N 3.07Å
899L22.4Very low22.8Very low171 Ų171138.2 Ų138.290%0.89577%0.773SS**SBendtrans-71.482.7-174.9-78.675.8000111.5
900W25.3Very low22.7Very low223 Ų223139.3 Ų139.385%0.84577%0.773SS**  trans-131.735.5173.6-65.998.2000111.7G898 K902G898-W900 VanDerWaalsContact C-N 3.3Å; G898-W900 PolarHBondContact O-N 3.07Å; W900-K902 PolarHBondContact O-N 2.88Å
901C22.8Very low22.7Very low133 Ų133136.9 Ų136.990%0.89977%0.767SS**  trans-75.2105.3165.9-71.50000109
902K23.4Very low22.6Very low176 Ų176141 Ų14177%0.76577%0.768SS**  trans-60167.9171.8-62.4-178.3175.4-175.20111.9W900W900-K902 PolarHBondContact O-N 2.88Å
903E22.6Very low22.8Very low163 Ų163138.1 Ų138.176%0.76275%0.753SS**  trans67.870158.4-68.8153.1-133.100116
904V22.6Very low23.1Very low119 Ų119139.2 Ų139.272%0.72175%0.753SS**  -123.3103.8127.8-179.60000107.4L906V904-L906 HydrophobicContact CG1-CG 4.38Å; V904-L906 PolarHBondContact O-N 3.39Å
905V20.5Very low23.5Very low130 Ų130141.1 Ų141.179%0.78875%0.75SS**  trans-83.1109.7173.4178.50000108.1
906L23.1Very low24.1Very low149 Ų149139.9 Ų139.978%0.7874%0.744SS**  trans-105.2117.5159.5-74.5176.6000107.9V904 V908V904-L906 HydrophobicContact CG1-CG 4.38Å; V904-L906 PolarHBondContact O-N 3.39Å; L906-V908 PolarHBondContact O-N 2.95Å
907S20.9Very low24.8Very low116 Ų116134 Ų13481%0.81171%0.714SS**  trans-7788.3-178.753.20000111
908V24.1Very low25.9Very low123 Ų123129.9 Ų129.975%0.74568%0.684SS**  trans-97.7136.8162.7-177.30000107.8L906L906-V908 PolarHBondContact O-N 2.95Å
909P22.3Very low26.7Very low109 Ų109132.8 Ų132.871%0.70868%0.682SS**  trans-62.1150.5-172.4-25.335.3000114.5C911P909-C911 PolarHBondContact O-N 2.9Å
910E20.6Very low27.7Very low166 Ų166125 Ų12578%0.77664%0.641SS**  trans-64.776.2170.6-65.3-174.3164.700111.4R912E910-R912 PolarHBondContact O-N 3.06Å
911C23Very low28.2Very low100 Ų100121 Ų12168%0.67663%0.632SS**  trans-67.9105.1176.8-166.90000109.6P909 I913P909-C911 PolarHBondContact O-N 2.9Å; C911-I913 HydrophobicContact CB-CG1 4.33Å; C911-I913 PolarHBondContact O-N 2.96Å
912R22.1Very low28.8Very low216 Ų216114.8 Ų114.882%0.81559%0.59SS**  trans-76.567.3179.7-64.3-179.7-179174.41110.4E910 Q914E910-R912 PolarHBondContact O-N 3.06Å; R912-Q914 PolarHBondContact O-N 2.74Å
913I29.4Very low29.3Very low78 Ų78109.2 Ų109.240%0.457%0.569SS.*  trans-55.6130.3-175.6-63.6177.1000110.1C911 N933C911-I913 HydrophobicContact CB-CG1 4.33Å; C911-I913 PolarHBondContact O-N 2.96Å; I913-N933 PolarHBondContact O-ND2 3.11Å
914Q29.6Very low29.9Very low150 Ų150104.7 Ų104.770%0.70157%0.566SS**  trans-82.6140.2-160.7-158.9170.214.100111.2R912 N916R912-Q914 PolarHBondContact O-N 2.74Å; Q914-N916 PolarHBondContact O-N 2.89Å
915K30.1Very low30.2Very low184 Ų184105.6 Ų105.680%0.856%0.56SS**  trans-71.134.1-171.3-60.2-172.7170.2-164.30115.8P917K915-P917 WeakPolarHBondContact O-CD 3.49Å
916N36.1Very low30.9Very low104 Ų104100.7 Ų100.756%0.55653%0.529SS*.PPolyproline II helixtrans-85.2116.5-176.3-66.9-9.4000109.6Q914Q914-N916 PolarHBondContact O-N 2.89Å
917P37.3Very low31.6Very low40 Ų4094.7 Ų94.726%0.2650%0.498SS..PPolyproline II helixtrans-63.2149.4174.125.5-33.5000111.2K915 N928 E930K915-P917 WeakPolarHBondContact O-CD 3.49Å; P917-N928 HydrophobicContact CB-CB 3.96Å; P917-N928 HydrophobicContact CG-CB 4.09Å; P917-N928 WeakPolarHBondContact CG-ND2 3.34Å; P917-E930 HydrophobicContact CB-CG 3.83Å
918L42.7Very low32.5Very low25 Ų2590.2 Ų90.213%0.13147%0.465CS..EExtended strand (participates in β ladder)trans-77.8125.5179.1-109.1138.8000110.8I920 N928 H929 F931 L1126 Y1128L918-I920 PolarHBondContact O-N 3.11Å; L918-N928 CarbonylContact O-C 3.42Å; L918-N928 WeakPolarHBondContact O-CA 3.36Å; L918-H929 PolarHBondContact N-O 3.04Å; L918-H929 PolarHBondContact O-N 3.04Å; L918-F931 HydrophobicContact CB-CD2 4.15Å; L918-F931 HydrophobicContact CD1-CD2 3.72Å; L918-F931 HydrophobicContact CD1-CE2 4.27Å; L918-F931 HydrophobicContact CD1-CG 4.3Å; L918-L1126 WeakPolarHBondContact CD2-O 3.33Å; L918-Y1128 HydrophobicContact CD1-CD2 3.26Å; L918-Y1128 HydrophobicContact CD1-CE2 3.4Å; L918-Y1128 HydrophobicContact CD1-CG 4.12Å; L918-Y1128 HydrophobicContact CD2-CD2 3.85Å; L918-Y1128 HydrophobicContact CD2-CG 4.35Å; L918-Y1128 HydrophobicContact CG-CD2 4.16Å
919K40.7Very low33.6Very low114 Ų11484.7 Ų84.750%0.49643%0.431SS..EExtended strand (participates in β ladder)trans-81.4112.2170.4-67.9-172.7179.4-163.70108.8I926 H950K919-I926 HydrophobicContact CB-CG2 3.77Å; K919-I926 HydrophobicContact CD-CG2 3.95Å; K919-I926 HydrophobicContact CG-CG2 3.71Å; K919-H950 VanDerWaalsContact CE-O 3.23Å; K919-H950 WeakPolarHBondContact CE-O 3.43Å; K919-H950 PolarHBondContact NZ-O 2.78Å
920I42.8Very low34.7Very low6 Ų683 Ų833%0.03141%0.414CS..EExtended strand (participates in β ladder)trans-106.2116.8167.5-64.7-177.4000107.3L918 S922 I927 Y1112 L1114 V1130L918-I920 PolarHBondContact O-N 3.11Å; I920-S922 PolarHBondContact O-N 2.91Å; I920-I927 PolarHBondContact N-O 3.24Å; I920-I927 PolarHBondContact O-N 2.72Å; I920-Y1112 HydrophobicContact CG2-CE1 3.85Å; I920-Y1112 HydrophobicContact CG2-CE2 4.45Å; I920-L1114 HydrophobicContact CD1-CD1 4.13Å; I920-L1114 HydrophobicContact CD1-CD2 3.88Å; I920-V1130 HydrophobicContact CD1-CG2 4.31Å; I920-V1130 HydrophobicContact CG2-CG2 3.55Å
921E35.3Very low36.1Very low141 Ų14176.6 Ų76.666%0.65938%0.383SS*.EExtended strand (participates in β ladder)trans-79.9108165.1-75.7178.3171.900107.9I926E921-I926 HydrophobicContact CG-CG1 3.76Å
922S35.7Very low37.2Very low2 Ų272.9 Ų72.91%0.01436%0.358CS..EExtended strand (participates in β ladder)trans-107.6127.8153.7176.60000107.9I920 G924 F925 P1110 Y1112 E1133I920-S922 PolarHBondContact O-N 2.91Å; S922-G924 PolarHBondContact O-N 3.39Å; S922-F925 PolarHBondContact N-O 2.92Å; S922-F925 PolarHBondContact O-N 3.24Å; S922-P1110 VanDerWaalsContact OG-CB 3.31Å; S922-P1110 WeakPolarHBondContact OG-CB 3.48Å; S922-Y1112 WeakPolarHBondContact CB-OH 3.11Å; S922-E1133 VanDerWaalsContact CB-OE2 3.29Å; S922-E1133 WeakPolarHBondContact CB-OE2 3.12Å; S922-E1133 PolarHBondContact OG-OE1 2.98Å; S922-E1133 PolarHBondContact OG-OE2 2.92Å
923N34.7Very low38.2Very low58 Ų5866.9 Ų66.931%0.3134%0.342SS..THydrogen-bonded Turntrans46.842.8168-69.6-74.6000115.1F925 E1108 Y1109 E1133N923-F925 VanDerWaalsContact C-N 3.34Å; N923-F925 PolarHBondContact O-N 3.31Å; N923-E1108 WeakPolarHBondContact CB-O 3.34Å; N923-E1108 VanDerWaalsContact CG-C 3.42Å; N923-E1108 PolarHBondContact O-N 3.08Å; N923-Y1109 WeakPolarHBondContact ND2-CA 3.08Å; N923-Y1109 PolarHBondContact ND2-N 3.02Å; N923-Y1109 VanDerWaalsContact ND2-N 3.14Å; N923-Y1109 PolarHBondContact ND2-O 3.03Å; N923-E1133 PolarHBondContact ND2-OE1 3.45Å
924G33.9Very low38.9Very low68 Ų6866.1 Ų66.170%0.70134%0.338SS*.THydrogen-bonded Turntrans83-2.8175.300000116.1S922S922-G924 PolarHBondContact O-N 3.39Å
925F28.9Very low39.3Very low139 Ų13960.7 Ų60.761%0.6132%0.316SS*.EExtended strand (participates in β ladder)trans-106.2128.6168.9-80.5-96000110.8S922 N923 I927 Y1109S922-F925 PolarHBondContact N-O 2.92Å; S922-F925 PolarHBondContact O-N 3.24Å; N923-F925 VanDerWaalsContact C-N 3.34Å; N923-F925 PolarHBondContact O-N 3.31Å; F925-I927 PolarHBondContact O-N 2.84Å; F925-Y1109 HydrophobicContact CB-CD1 4.16Å; F925-Y1109 HydrophobicContact CB-CE1 3.73Å; F925-Y1109 HydrophobicContact CG-CE1 4.26Å
926I34.7Very low39.8Very low27 Ų2757.3 Ų57.314%0.13831%0.313CS..EExtended strand (participates in β ladder)trans-83.9109.2174.5-62.5178.3000108.8K919 E921 H950 H951K919-I926 HydrophobicContact CB-CG2 3.77Å; K919-I926 HydrophobicContact CD-CG2 3.95Å; K919-I926 HydrophobicContact CG-CG2 3.71Å; E921-I926 HydrophobicContact CG-CG1 3.76Å; I926-H950 WeakPolarHBondContact CD1-O 3.45Å; I926-H951 HydrophobicContact CD1-CB 3.66Å
927I38.5Very low39.8Very low22 Ų2258 Ų5811%0.11332%0.316CS..EExtended strand (participates in β ladder)trans-88.3124166.4-40.5-173.7000108.1I920 F925 H929 Y1109 P1110 Y1112I920-I927 PolarHBondContact N-O 3.24Å; I920-I927 PolarHBondContact O-N 2.72Å; F925-I927 PolarHBondContact O-N 2.84Å; I927-H929 VanDerWaalsContact CG2-NE2 3.33Å; I927-H929 WeakPolarHBondContact CG2-NE2 3.44Å; I927-Y1109 HydrophobicContact CD1-CE1 4.28Å; I927-P1110 HydrophobicContact CD1-CG 3.8Å; I927-Y1112 HydrophobicContact CD1-CE2 4.43Å; I927-Y1112 WeakPolarHBondContact CD1-OH 3.29Å
928N40.7Very low39.7Very low22 Ų2260.9 Ų60.912%0.11832%0.322CS..EExtended strand (participates in β ladder)trans-84.4113.6164.9-82.514.5000108.3P917 L918 E948 M949P917-N928 HydrophobicContact CB-CB 3.96Å; P917-N928 HydrophobicContact CG-CB 4.09Å; P917-N928 WeakPolarHBondContact CG-ND2 3.34Å; L918-N928 CarbonylContact O-C 3.42Å; L918-N928 WeakPolarHBondContact O-CA 3.36Å; N928-E948 WeakPolarHBondContact CB-O 3.39Å; N928-E948 PolarHBondContact ND2-O 3.05Å; N928-M949 HydrophobicContact CB-CB 4.18Å; N928-M949 HydrophobicContact CB-CG 3.97Å; N928-M949 VanDerWaalsContact CG-CA 3.47Å; N928-M949 WeakPolarHBondContact ND2-CA 3.48Å
929H47.3Very low39.2Very low7 Ų765.1 Ų65.13%0.03235%0.345CS..EExtended strand (participates in β ladder)trans-98.7112.4168.1-68.2-77000109.3Q740 L918 I927 F931 Y1112Q740-H929 PolarHBondContact NE2-CE1 3.36Å; Q740-H929 PolarHBondContact NE2-ND1 3.04Å; Q740-H929 PolarHBondContact OE1-ND1 3.05Å; L918-H929 PolarHBondContact N-O 3.04Å; L918-H929 PolarHBondContact O-N 3.04Å; I927-H929 VanDerWaalsContact CG2-NE2 3.33Å; I927-H929 WeakPolarHBondContact CG2-NE2 3.44Å; H929-F931 HydrophobicContact CB-CD2 4.18Å; H929-F931 HydrophobicContact CB-CE2 4.05Å; H929-F931 PolarHBondContact O-N 2.92Å; H929-Y1112 AromaticContact NE2-CE2 3.49Å; H929-Y1112 WeakPolarHBondContact NE2-CE2 3.11Å
930E45.4Very low38.7Very low75 Ų7566.5 Ų66.535%0.3536%0.356SS..PPolyproline II helixtrans-66.8116.1161.8-79-166.9-165.700108.5S729 Q730 P917 T947S729-E930 CarbonylContact C-O 3.54Å; S729-E930 WeakPolarHBondContact CB-O 3.4Å; S729-E930 VanDerWaalsContact O-O 3.05Å; S729-E930 PolarHBondContact OG-O 2.82Å; Q730-E930 VanDerWaalsContact CD-CB 3.47Å; Q730-E930 HydrophobicContact CG-CB 3.45Å; Q730-E930 VanDerWaalsContact CG-CB 3.45Å; Q730-E930 PolarHBondContact OE1-OE2 2.57Å; P917-E930 HydrophobicContact CB-CG 3.83Å; E930-T947 WeakPolarHBondContact OE1-CG2 3.44Å
931F48.9Very low38.5Very low30 Ų3069.4 Ų69.413%0.13237%0.374CS..PPolyproline II helixtrans-92.9152.8168-92.9-88.7000109.9S729 A742 V810 L812 L918 H929 L1114S729-F931 CarbonylContact O-C 3.58Å; S729-F931 WeakPolarHBondContact O-CA 3.35Å; A742-F931 HydrophobicContact CB-CE1 4.26Å; V810-F931 HydrophobicContact CG1-CE1 4.13Å; L812-F931 HydrophobicContact CB-CZ 4.48Å; L812-F931 HydrophobicContact CD1-CE1 3.94Å; L812-F931 HydrophobicContact CD1-CZ 3.73Å; L812-F931 HydrophobicContact CD2-CE2 4.1Å; L812-F931 HydrophobicContact CD2-CZ 3.77Å; L812-F931 HydrophobicContact CG-CZ 4.2Å; L918-F931 HydrophobicContact CB-CD2 4.15Å; L918-F931 HydrophobicContact CD1-CD2 3.72Å; L918-F931 HydrophobicContact CD1-CE2 4.27Å; L918-F931 HydrophobicContact CD1-CG 4.3Å; H929-F931 HydrophobicContact CB-CD2 4.18Å; H929-F931 HydrophobicContact CB-CE2 4.05Å; H929-F931 PolarHBondContact O-N 2.92Å; F931-L1114 HydrophobicContact CE2-CD1 3.96Å; F931-L1114 HydrophobicContact CZ-CD1 3.5Å; F931-L1114 VanDerWaalsContact CZ-CD1 3.5Å
932P45.3Very low39Very low22 Ų2268.3 Ų68.314%0.14337%0.373CS..PPolyproline II helixtrans-84.1134.1-177.332.6-23.8000106.3C727 S729 L934C727-P932 WeakPolarHBondContact SG-CG 3.38Å; S729-P932 WeakPolarHBondContact O-CA 3.26Å; S729-P932 WeakPolarHBondContact O-CB 3.33Å; S729-P932 WeakPolarHBondContact O-CD 3.31Å; P932-L934 PolarHBondContact O-N 2.85Å
933N44Very low39.7Very low91 Ų9168.9 Ų68.949%0.48738%0.377SS..PPolyproline II helixtrans-50.4121.5178.4-78.8-3.9000110.2I913 P935I913-N933 PolarHBondContact O-ND2 3.11Å; N933-P935 VanDerWaalsContact O-CD 3.23Å; N933-P935 WeakPolarHBondContact O-CD 3.46Å; N933-P935 VanDerWaalsContact O-N 3.17Å
934L44.3Very low40Very low61 Ų6171.3 Ų71.332%0.31938%0.382SS..PPolyproline II helixtrans-57119.4173.8-131.482.1000107.7F744 F808 P932F744-L934 HydrophobicContact CD1-CD1 4.28Å; F744-L934 HydrophobicContact CE1-CD1 3.57Å; F744-L934 HydrophobicContact CZ-CD1 4.14Å; F808-L934 HydrophobicContact CE1-CD2 3.95Å; F808-L934 HydrophobicContact CZ-CD1 4.11Å; F808-L934 HydrophobicContact CZ-CD2 4.18Å; P932-L934 PolarHBondContact O-N 2.85Å
935P37.7Very low40.6Very low36 Ų3673.6 Ų73.623%0.23438%0.376CS..PPolyproline II helixtrans-62.7137.6171.3-19.632.9000108.7N933 D937 V941N933-P935 VanDerWaalsContact O-CD 3.23Å; N933-P935 WeakPolarHBondContact O-CD 3.46Å; N933-P935 VanDerWaalsContact O-N 3.17Å; P935-D937 CarbonylContact C-O 3.47Å; P935-D937 WeakPolarHBondContact CB-O 3.28Å; P935-D937 VanDerWaalsContact O-O 3.13Å; P935-V941 HydrophobicContact CG-CG2 3.53Å
936P41Very low40.3Very low114 Ų11473.6 Ų73.674%0.7437%0.372SS*.SBendtrans-65.8-43.8-177.125.1-32.8000111.2
937D35.3Very low40.1Very low117 Ų11774 Ų7463%0.62638%0.376SS*.SBendtrans-76154.5166.4-63.6-60.2000110.8P935 D939P935-D937 CarbonylContact C-O 3.47Å; P935-D937 WeakPolarHBondContact CB-O 3.28Å; P935-D937 VanDerWaalsContact O-O 3.13Å; D937-D939 PolarHBondContact O-N 1.97Å
938W35Very low39.2Very low102 Ų10280.9 Ų80.939%0.38641%0.408SS..SBendtrans-79.330.7-175-103.255.8000115.2Q723 K725 R746Q723-W938 HydrophobicContact CB-CH2 4.33Å; Q723-W938 HydrophobicContact CB-CZ3 3.92Å; K725-W938 HydrophobicContact CB-CZ3 4.44Å; K725-W938 HydrophobicContact CD-CD2 3.85Å; K725-W938 HydrophobicContact CD-CE3 3.61Å; K725-W938 HydrophobicContact CD-CG 4.49Å; K725-W938 HydrophobicContact CD-CH2 4.2Å; K725-W938 HydrophobicContact CD-CZ2 4.41Å; K725-W938 HydrophobicContact CD-CZ3 3.79Å; K725-W938 WeakPolarHBondContact CE-O 3.13Å; K725-W938 HydrophobicContact CG-CE3 3.95Å; K725-W938 HydrophobicContact CG-CZ3 3.86Å; K725-W938 VanDerWaalsContact NZ-CA 3.3Å; K725-W938 PolarHBondContact NZ-O 3.1Å; R746-W938 HydrophobicContact CB-CH2 4.41Å
939D32.8Very low38.5Very low113 Ų11384.7 Ų84.760%0.60443%0.426SS*.  trans-111.6122.8-169.7-64.2-37.8000114.3D937D937-D939 PolarHBondContact O-N 1.97Å
940I30.2Very low37.3Very low144 Ų14490.7 Ų90.774%0.73845%0.454SS*.  trans48.3122.6148.1-45.9176.8000120.2
941V38Very low36.1Very low67 Ų6794 Ų9441%0.40647%0.469SS..  trans-138.7159172.9-174.40000112.2C727 P935C727-V941 HydrophobicContact CB-CB 3.62Å; C727-V941 HydrophobicContact CB-CG1 3.59Å; C727-V941 HydrophobicContact CB-CG2 4.3Å; P935-V941 HydrophobicContact CG-CG2 3.53Å
942D46.9Very low34.8Very low118 Ų11897.8 Ų97.863%0.63150%0.497SS*.  trans-117-145.9-171.4-163.828.6000114.3R944D942-R944 IonicContact OD1-NH2 2.63Å; D942-R944 PolarHBondContact OD1-NH2 2.68Å; D942-R944 IonicContact OD2-CZ 2.8Å; D942-R944 IonicContact OD2-NH2 2.78Å; D942-R944 PolarHBondContact OD2-NH2 2.89Å
943S50Low33.8Very low13 Ų13103.2 Ų103.29%0.09153%0.532CS..  trans-161.90-176.273.10000121.3F728F728-S943 VanDerWaalsContact CD2-CB 3.43Å; F728-S943 VanDerWaalsContact CG-CB 3.5Å
944R41.4Very low32.9Very low110 Ų110105.5 Ų105.542%0.41556%0.555SS.*BIsolated β-bridge0-1380-77.6152.2-93.2-66.8-2122.7P731 E732 D942P731-R944 VanDerWaalsContact C-N 3.26Å; P731-R944 CarbonylContact C-O 3.59Å; P731-R944 VanDerWaalsContact CA-N 3.25Å; P731-R944 CarbonylContact O-C 3.22Å; P731-R944 WeakPolarHBondContact O-CA 2.92Å; P731-R944 WeakPolarHBondContact O-CB 3.22Å; P731-R944 PolarHBondContact O-N 2.78Å; E732-R944 WeakPolarHBondContact CA-O 3.42Å; E732-R944 PolarHBondContact N-O 2.98Å; D942-R944 IonicContact OD1-NH2 2.63Å; D942-R944 PolarHBondContact OD1-NH2 2.68Å; D942-R944 IonicContact OD2-CZ 2.8Å; D942-R944 IonicContact OD2-NH2 2.78Å; D942-R944 PolarHBondContact OD2-NH2 2.89Å
945I46.5Very low31.7Very low115 Ų115106.5 Ų106.559%0.5958%0.58SS**  trans-139.10-161.349.4173.6000128.5P731 E732 Y733P731-I945 PolarHBondContact O-N 2.91Å; E732-I945 VanDerWaalsContact CA-C 3.45Å; E732-I945 VanDerWaalsContact CA-N 3.26Å; Y733-I945 CarbonylContact O-C 3.4Å; Y733-I945 WeakPolarHBondContact O-CA 3.23Å; Y733-I945 WeakPolarHBondContact O-CB 3.43Å; Y733-I945 VanDerWaalsContact O-CG2 3.26Å; Y733-I945 WeakPolarHBondContact O-CG2 3.23Å
946R23.4Very low31.2Very low140 Ų140110.8 Ų110.853%0.52860%0.6SS.*  000-42.5-173.7-151.178.645.5121.4Q730 E732 Y733 T734 Q737Q730-R946 PolarHBondContact NE2-O 3.48Å; Q730-R946 PolarHBondContact OE1-O 3.05Å; E732-R946 CarbonylContact C-O 3.58Å; E732-R946 HydrophobicContact CB-CB 4.38Å; E732-R946 VanDerWaalsContact CD-CZ 3.44Å; E732-R946 VanDerWaalsContact OE1-CB 3.29Å; E732-R946 WeakPolarHBondContact OE1-CB 3.44Å; E732-R946 WeakPolarHBondContact OE1-CG 3.47Å; E732-R946 IonicContact OE1-CZ 3.63Å; E732-R946 VanDerWaalsContact OE1-CZ 3.23Å; E732-R946 IonicContact OE1-NE 2.68Å; E732-R946 IonicContact OE1-NH1 3.62Å; E732-R946 PolarHBondContact OE1-NH1 2.92Å; E732-R946 IonicContact OE1-NH2 3.41Å; E732-R946 IonicContact OE2-CZ 3.16Å; E732-R946 IonicContact OE2-NH1 3.97Å; E732-R946 PolarHBondContact OE2-NH1 3.01Å; E732-R946 IonicContact OE2-NH2 3.34Å; E732-R946 PolarHBondContact OE2-NH2 3.3Å; Y733-R946 VanDerWaalsContact C-CA 3.46Å; Y733-R946 VanDerWaalsContact CA-N 3.33Å; Y733-R946 VanDerWaalsContact CA-O 3.22Å; Y733-R946 WeakPolarHBondContact CA-O 3.38Å; Y733-R946 PolarHBondContact N-O 3.47Å; Y733-R946 PolarHBondContact O-N 2.95Å; T734-R946 HydrophobicContact CG2-CB 4.2Å; T734-R946 HydrophobicContact CG2-CG 4.1Å; T734-R946 WeakPolarHBondContact OG1-CA 3.19Å; Q737-R946 VanDerWaalsContact OE1-C 3.31Å; Q737-R946 PolarHBondContact OE1-O 3.49Å
947T29.4Very low31.3Very low36 Ų36111.4 Ų111.422%0.22159%0.593CS.*  00067.50000127.6Q730 Q737 E930Q730-T947 PolarHBondContact NE2-OG1 3.35Å; Q730-T947 VanDerWaalsContact OE1-CG2 3.24Å; Q730-T947 PolarHBondContact OE1-OG1 2.91Å; Q737-T947 PolarHBondContact NE2-O 3.14Å; Q737-T947 VanDerWaalsContact OE1-N 3.11Å; Q737-T947 PolarHBondContact OE1-O 3.4Å; E930-T947 WeakPolarHBondContact OE1-CG2 3.44Å
948E20.1Very low32Very low165 Ų165111.1 Ų111.177%0.77159%0.591SS**  000-59.8-176.8-113.400124.8N928N928-E948 WeakPolarHBondContact CB-O 3.39Å; N928-E948 PolarHBondContact ND2-O 3.05Å
949M25.8Very low33.7Very low103 Ų103112.7 Ų112.751%0.50761%0.612SS.*  000-42.989.181.200127.4N928N928-M949 HydrophobicContact CB-CB 4.18Å; N928-M949 HydrophobicContact CB-CG 3.97Å; N928-M949 VanDerWaalsContact CG-CA 3.47Å; N928-M949 WeakPolarHBondContact ND2-CA 3.48Å
950H22.1Very low35.4Very low133 Ų133111.9 Ų111.962%0.61661%0.605SS**  000-11467000126.4K919 I926K919-H950 VanDerWaalsContact CE-O 3.23Å; K919-H950 WeakPolarHBondContact CE-O 3.43Å; K919-H950 PolarHBondContact NZ-O 2.78Å; I926-H950 WeakPolarHBondContact CD1-O 3.45Å
951H20Very low37.2Very low143 Ų143109.3 Ų109.366%0.66260%0.598SS**  00060.429.9000127.4I926I926-H951 HydrophobicContact CD1-CB 3.66Å
952P22.2Very low38.6Very low110 Ų110113.5 Ų113.571%0.71461%0.613SS**  00045.1-25.4000126.9
953P23.4Very low39.4Very low136 Ų136113.2 Ų113.288%0.88361%0.612SS**  00043.2-23000125.7
954S26.3Very low40.5Very low140 Ų140114.3 Ų114.398%0.97962%0.618SS**  00067.80000126
955G18.9Very low42Very low81 Ų81111 Ų11184%0.83561%0.611SS**  00000000125.7
956L27.3Very low43.5Very low126 Ų126105.5 Ų105.566%0.6658%0.583SS**  0005958.5000125.5
957E42.2Very low46Very low127 Ų12798.8 Ų98.859%0.59356%0.557SS**  00044.431.2-105.500125.8R979E957-R979 PolarHBondContact O-NE 3.09Å; E957-R979 PolarHBondContact O-NH2 2.93Å; E957-R979 IonicContact OE1-CZ 2.66Å; E957-R979 IonicContact OE1-NH2 3.94Å; E957-R979 PolarHBondContact OE1-NH2 3.28Å; E957-R979 IonicContact OE2-NH2 3.82Å; E957-R979 PolarHBondContact OE2-NH2 3.48Å
958I50.2Low48.2Very low112 Ų11297.5 Ų97.557%0.57455%0.55SS**  00047.2164000123.3
959T71.6Confident50.7Low135 Ų13591.9 Ų91.983%0.82853%0.525SS*.  000160000123.7
960M66.6Low53.2Low95 Ų9587.1 Ų87.147%0.46850%0.502SS..  000-80.5-164.762.700124.3N975 I1168M960-N975 VanDerWaalsContact CE-O 3.22Å; M960-N975 WeakPolarHBondContact CE-O 3.46Å; M960-I1168 HydrophobicContact CE-CG2 3.55Å
961P68.1Low55.6Low90 Ų9081.1 Ų81.158%0.58447%0.474SS*.  00044.8-24.4000126.5
962E69.3Low58.1Low156 Ų15674.7 Ų74.773%0.72945%0.446SS*.  0173.40-153.9-158-112.900115T1170E962-T1170 VanDerWaalsContact C-OG1 3.32Å; E962-T1170 VanDerWaalsContact CA-OG1 3.32Å; E962-T1170 WeakPolarHBondContact CA-OG1 3.46Å
963N62.3Low60.5Low111 Ų11171.8 Ų71.859%0.59442%0.423SS*.SBendtrans28103168.8-145.214000119.6T1170 N1171N963-T1170 PolarHBondContact N-OG1 2.86Å; N963-T1170 VanDerWaalsContact N-OG1 3.1Å; N963-N1171 PolarHBondContact OD1-ND2 3.02Å
964V72.7Confident62.9Low37 Ų3765.8 Ų65.822%0.22438%0.383CS..  trans-121.4166.5-153.2-171.60000115N1171 L1172 T1173V964-N1171 WeakPolarHBondContact CA-O 3.35Å; V964-N1171 WeakPolarHBondContact CB-O 2.79Å; V964-N1171 WeakPolarHBondContact CG2-O 3.45Å; V964-N1171 PolarHBondContact N-O 2.75Å; V964-L1172 HydrophobicContact CB-CB 4.08Å; V964-L1172 HydrophobicContact CB-CD2 4.05Å; V964-L1172 HydrophobicContact CB-CG 3.84Å; V964-L1172 HydrophobicContact CG1-CD2 3.87Å; V964-L1172 HydrophobicContact CG1-CG 4.23Å; V964-L1172 HydrophobicContact CG2-CG 4.38Å; V964-L1172 CarbonylContact O-C 3.5Å; V964-L1172 WeakPolarHBondContact O-CA 3.31Å; V964-T1173 WeakPolarHBondContact O-CG2 3.36Å; V964-T1173 PolarHBondContact O-N 3.07Å
965C74.5Confident65.2Low39 Ų3961.2 Ų61.226%0.26435%0.348SS..  trans-129.6152.5169.6-58.40000110.9T1173 W1213 R1279C965-T1173 WeakPolarHBondContact CA-OG1 3.45Å; C965-T1173 VanDerWaalsContact CB-OG1 3.27Å; C965-T1173 WeakPolarHBondContact CB-OG1 3.3Å; C965-T1173 PolarHBondContact SG-OG1 3.42Å; C965-W1213 HydrophobicContact CB-CH2 3.4Å; C965-W1213 VanDerWaalsContact CB-CH2 3.4Å; C965-W1213 HydrophobicContact CB-CZ2 3.22Å; C965-W1213 HydrophobicContact CB-CZ3 4.3Å; C965-R1279 PolarHBondContact O-NH1 3.05Å; C965-R1279 VanDerWaalsContact O-NH1 3.14Å; C965-R1279 PolarHBondContact O-NH2 3.09Å; C965-R1279 VanDerWaalsContact O-NH2 3.09Å
966I76.8Confident67.6Low0 Ų057.7 Ų57.70%031%0.309CS..  trans-118.9169.3-177.3-47.4162000109.4E970 L1079 L1092 L1172 T1173 I1174 L1175 R1279I966-E970 WeakPolarHBondContact CA-OE1 3.48Å; I966-E970 HydrophobicContact CG2-CG 3.59Å; I966-E970 WeakPolarHBondContact CG2-OE1 3.34Å; I966-L1079 HydrophobicContact CD1-CD1 3.6Å; I966-L1079 HydrophobicContact CG1-CD1 4.44Å; I966-L1092 HydrophobicContact CD1-CD1 4.27Å; I966-L1172 HydrophobicContact CD1-CB 3.9Å; I966-L1172 HydrophobicContact CD1-CD2 4.05Å; I966-L1172 HydrophobicContact CG1-CB 4.07Å; I966-L1172 HydrophobicContact CG1-CD2 3.95Å; I966-T1173 WeakPolarHBondContact CA-O 3.46Å; I966-T1173 WeakPolarHBondContact CB-O 3.16Å; I966-T1173 WeakPolarHBondContact CD1-O 3.1Å; I966-T1173 WeakPolarHBondContact CG1-O 3.39Å; I966-T1173 PolarHBondContact N-O 3.1Å; I966-I1174 HydrophobicContact CB-CG1 4.37Å; I966-I1174 CarbonylContact O-C 3.49Å; I966-I1174 VanDerWaalsContact O-C 3.22Å; I966-I1174 WeakPolarHBondContact O-CA 3.35Å; I966-L1175 PolarHBondContact O-N 3.05Å; I966-R1279 VanDerWaalsContact CA-NH2 3.27Å; I966-R1279 PolarHBondContact O-NH2 3.08Å
967L76.4Confident69.9Low0 Ų053.3 Ų53.30%029%0.288CS..  trans-120.7166.4167.4-69.9146.2000111.9N969 E970 L1175 A1211 W1213 L1215 W1277 R1279L967-N969 PolarHBondContact O-N 3.32Å; L967-E970 WeakPolarHBondContact CB-OE2 3.44Å; L967-E970 PolarHBondContact N-OE1 3.3Å; L967-L1175 CarbonylContact C-O 2.91Å; L967-L1175 WeakPolarHBondContact CA-O 3.48Å; L967-L1175 HydrophobicContact CD2-CB 3.82Å; L967-A1211 HydrophobicContact CD1-CB 4.46Å; L967-A1211 HydrophobicContact CD2-CB 3.77Å; L967-W1213 HydrophobicContact CD1-CE3 4.06Å; L967-W1213 HydrophobicContact CD1-CZ3 4.5Å; L967-W1213 HydrophobicContact CD2-CE3 4.26Å; L967-W1213 HydrophobicContact CD2-CZ3 4.02Å; L967-W1213 HydrophobicContact CG-CE3 4.08Å; L967-W1213 HydrophobicContact CG-CZ3 4.01Å; L967-L1215 HydrophobicContact CD1-CD1 4.47Å; L967-L1215 HydrophobicContact CD1-CD2 3.3Å; L967-W1277 HydrophobicContact CB-CH2 3.61Å; L967-W1277 HydrophobicContact CB-CZ3 3.97Å; L967-W1277 HydrophobicContact CD1-CH2 4.33Å; L967-W1277 HydrophobicContact CD1-CZ3 3.89Å; L967-W1277 HydrophobicContact CG-CH2 4.5Å; L967-R1279 HydrophobicContact CD1-CG 4.07Å
968A75.6Confident71.1Confident9 Ų949.1 Ų49.17%0.07427%0.269CS..THydrogen-bonded Turntrans-58.5124.6176.300000111.9L1175 W1277A968-L1175 WeakPolarHBondContact CB-O 3.49Å; A968-L1175 PolarHBondContact N-O 3.19Å; A968-W1277 WeakPolarHBondContact O-CH2 3.15Å; A968-W1277 WeakPolarHBondContact O-CZ2 3.46Å
969N72.6Confident71.8Confident46 Ų4647.5 Ų47.525%0.24626%0.256CS..THydrogen-bonded Turntrans64.834.2174.1-48.5-26.3000114.9L967 C1081 S1082 Y1291 A1293L967-N969 PolarHBondContact O-N 3.32Å; N969-C1081 VanDerWaalsContact CA-O 3.24Å; N969-C1081 WeakPolarHBondContact CA-O 3.44Å; N969-C1081 PolarHBondContact N-O 2.95Å; N969-S1082 WeakPolarHBondContact OD1-CA 3.4Å; N969-S1082 WeakPolarHBondContact OD1-CB 3.15Å; N969-Y1291 VanDerWaalsContact O-CE1 3.23Å; N969-Y1291 WeakPolarHBondContact O-CE1 3.39Å; N969-A1293 VanDerWaalsContact O-CA 3.27Å; N969-A1293 WeakPolarHBondContact O-CA 3.33Å; N969-A1293 WeakPolarHBondContact O-CB 3.46Å
970E77.8Confident71.2Confident3 Ų341.6 Ų41.61%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-111.1163171.681.4-174.7-177.600112.9I966 L967 S972 C1080 W1277 R1279I966-E970 WeakPolarHBondContact CA-OE1 3.48Å; I966-E970 HydrophobicContact CG2-CG 3.59Å; I966-E970 WeakPolarHBondContact CG2-OE1 3.34Å; L967-E970 WeakPolarHBondContact CB-OE2 3.44Å; L967-E970 PolarHBondContact N-OE1 3.3Å; E970-S972 PolarHBondContact OE1-OG 3.43Å; E970-C1080 WeakPolarHBondContact O-CA 3.49Å; E970-C1080 PolarHBondContact O-SG 3.07Å; E970-W1277 HydrophobicContact CB-CH2 4.46Å; E970-W1277 HydrophobicContact CB-CZ3 4.42Å; E970-R1279 IonicContact OE1-CZ 2.72Å; E970-R1279 IonicContact OE1-NE 2.69Å; E970-R1279 PolarHBondContact OE1-NE 2.64Å; E970-R1279 IonicContact OE1-NH2 3.7Å; E970-R1279 PolarHBondContact OE1-NH2 3.17Å; E970-R1279 WeakPolarHBondContact OE2-CD 3.43Å; E970-R1279 VanDerWaalsContact OE2-CG 3.32Å; E970-R1279 WeakPolarHBondContact OE2-CG 3.28Å; E970-R1279 IonicContact OE2-CZ 2.87Å; E970-R1279 IonicContact OE2-NE 2.71Å; E970-R1279 PolarHBondContact OE2-NE 2.82Å
971I72.1Confident70.7Confident7 Ų742.3 Ų42.34%0.03623%0.231CC..EExtended strand (participates in β ladder)trans-103121161.8-70173.2000109.4L1040 I1041 I1044 L1079 C1080 Y1291I971-L1040 HydrophobicContact CD1-CB 4.48Å; I971-L1040 HydrophobicContact CD1-CD2 3.81Å; I971-L1040 HydrophobicContact CD1-CG 4.19Å; I971-L1040 HydrophobicContact CG1-CD2 4.02Å; I971-L1040 HydrophobicContact CG2-CD2 3.96Å; I971-I1041 HydrophobicContact CD1-CD1 4.41Å; I971-I1041 HydrophobicContact CD1-CG1 3.86Å; I971-I1044 HydrophobicContact CD1-CD1 4.27Å; I971-L1079 CarbonylContact C-O 3.53Å; I971-L1079 WeakPolarHBondContact CA-O 3.36Å; I971-L1079 WeakPolarHBondContact CG2-O 3.34Å; I971-C1080 HydrophobicContact CG1-CB 3.74Å; I971-Y1291 HydrophobicContact CB-CD1 4.06Å; I971-Y1291 HydrophobicContact CB-CG 3.9Å; I971-Y1291 HydrophobicContact CD1-CD1 4.12Å; I971-Y1291 HydrophobicContact CD1-CD2 3.44Å; I971-Y1291 VanDerWaalsContact CD1-CD2 3.44Å; I971-Y1291 HydrophobicContact CD1-CE2 3.99Å; I971-Y1291 HydrophobicContact CD1-CG 3.5Å; I971-Y1291 VanDerWaalsContact CD1-CG 3.5Å; I971-Y1291 HydrophobicContact CG1-CD1 3.67Å; I971-Y1291 HydrophobicContact CG1-CD2 3.97Å; I971-Y1291 HydrophobicContact CG1-CE1 4.13Å; I971-Y1291 HydrophobicContact CG1-CE2 4.45Å; I971-Y1291 HydrophobicContact CG1-CG 3.52Å; I971-Y1291 VanDerWaalsContact N-CD1 3.29Å
972S73.1Confident69.7Low8 Ų839.9 Ų39.96%0.05622%0.215CC..EExtended strand (participates in β ladder)trans-88.7142.1168.8-85.50000110.8E970 S1078 L1079E970-S972 PolarHBondContact OE1-OG 3.43Å; S972-S1078 WeakPolarHBondContact O-CA 3.27Å; S972-L1079 PolarHBondContact N-O 2.98Å; S972-L1079 PolarHBondContact O-N 2.95Å
973Q73.1Confident68.9Low50 Ų5040.1 Ų40.123%0.23422%0.22CC..EExtended strand (participates in β ladder)trans-118.3151173.4-68.4-169.11.900111.7S1037 T1076 I1077Q973-S1037 PolarHBondContact NE2-OG 3.01Å; Q973-T1076 HydrophobicContact CB-CG2 4.2Å; Q973-T1076 HydrophobicContact CG-CG2 4.16Å; Q973-I1077 CarbonylContact C-O 3.35Å; Q973-I1077 VanDerWaalsContact CA-O 3.27Å; Q973-I1077 WeakPolarHBondContact CA-O 3.32Å
974I73.8Confident68.4Low10 Ų1035.7 Ų35.75%0.05120%0.198CC..EExtended strand (participates in β ladder)trans-134.1130.9177.2-83.9153.9000108.8T1076 I1077 L1094 T1170 L1172I974-T1076 CarbonylContact O-C 3.24Å; I974-T1076 WeakPolarHBondContact O-CA 3.4Å; I974-I1077 HydrophobicContact CG2-CD1 3.94Å; I974-I1077 PolarHBondContact N-O 2.79Å; I974-I1077 PolarHBondContact O-N 2.82Å; I974-L1094 HydrophobicContact CB-CD2 3.96Å; I974-L1094 HydrophobicContact CD1-CD2 3.57Å; I974-L1094 HydrophobicContact CG1-CD2 4.34Å; I974-L1094 HydrophobicContact CG2-CD2 4.29Å; I974-T1170 HydrophobicContact CB-CG2 4.1Å; I974-T1170 HydrophobicContact CD1-CG2 3.82Å; I974-T1170 HydrophobicContact CG1-CG2 3.69Å; I974-T1170 HydrophobicContact CG2-CG2 3.25Å; I974-L1172 HydrophobicContact CD1-CD1 3.8Å; I974-L1172 HydrophobicContact CD1-CD2 3.9Å; I974-L1172 HydrophobicContact CD1-CG 3.98Å
975N73.6Confident67.8Low44 Ų4435.4 Ų35.424%0.23520%0.195CC..EExtended strand (participates in β ladder)trans-125.4161.1-161.2-85-11.8000114.6M960 V1075 T1076 D1285M960-N975 VanDerWaalsContact CE-O 3.22Å; M960-N975 WeakPolarHBondContact CE-O 3.46Å; N975-V1075 CarbonylContact C-O 3.55Å; N975-V1075 WeakPolarHBondContact CA-O 3.42Å; N975-T1076 WeakPolarHBondContact OD1-CA 3.43Å; N975-T1076 VanDerWaalsContact OD1-CB 3.24Å; N975-T1076 WeakPolarHBondContact OD1-CB 3.43Å; N975-T1076 WeakPolarHBondContact OD1-CG2 3.38Å; N975-T1076 PolarHBondContact OD1-OG1 3.31Å; N975-D1285 PolarHBondContact ND2-OD2 2.95Å
976L69.9Low67.1Low6 Ų633.7 Ų33.73%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-154.7115.3-169.6-177.5116.7000115.1S1074 V1075 C1096 I1168L976-S1074 CarbonylContact O-C 3.57Å; L976-S1074 WeakPolarHBondContact O-CA 3.5Å; L976-S1074 PolarHBondContact O-OG 2.82Å; L976-V1075 HydrophobicContact CB-CB 4.46Å; L976-V1075 WeakPolarHBondContact CB-O 3.4Å; L976-V1075 HydrophobicContact CD2-CB 4.29Å; L976-V1075 HydrophobicContact CD2-CG2 3.82Å; L976-V1075 PolarHBondContact N-O 2.93Å; L976-V1075 PolarHBondContact O-N 2.75Å; L976-C1096 HydrophobicContact CB-CB 4.21Å; L976-C1096 VanDerWaalsContact CB-SG 3.57Å; L976-C1096 HydrophobicContact CD1-CB 3.08Å; L976-C1096 VanDerWaalsContact CD1-SG 3.57Å; L976-C1096 HydrophobicContact CD2-CB 3.44Å; L976-C1096 VanDerWaalsContact CD2-CB 3.44Å; L976-C1096 HydrophobicContact CG-CB 3.69Å; L976-I1168 HydrophobicContact CD1-CB 4.34Å; L976-I1168 HydrophobicContact CD1-CG2 3.76Å; L976-I1168 WeakPolarHBondContact CD1-O 3.45Å
977T75.3Confident67Low34 Ų3435.4 Ų35.421%0.20919%0.194CC..EExtended strand (participates in β ladder)trans-129.2167.5-158.9-36.40000116.3I1073 S1074T977-I1073 WeakPolarHBondContact CA-O 3.41Å; T977-S1074 PolarHBondContact OG1-OG 2.98Å; T977-S1074 VanDerWaalsContact OG1-OG 3.13Å
978I66.9Low66.7Low40 Ų4040 Ų4021%0.20521%0.214CC..EExtended strand (participates in β ladder)trans-165.3155.1152.326.457000112.1I1067 S1072 I1073 L1098 Q1166I978-I1067 HydrophobicContact CD1-CD1 4.19Å; I978-S1072 WeakPolarHBondContact O-CA 3.45Å; I978-S1072 WeakPolarHBondContact O-CB 3.37Å; I978-S1072 PolarHBondContact O-OG 3.03Å; I978-I1073 PolarHBondContact N-O 2.75Å; I978-I1073 PolarHBondContact O-N 3.12Å; I978-L1098 HydrophobicContact CD1-CD1 3.69Å; I978-L1098 HydrophobicContact CD1-CD2 3.55Å; I978-L1098 HydrophobicContact CD1-CG 4.25Å; I978-L1098 HydrophobicContact CG1-CD1 4.22Å; I978-L1098 HydrophobicContact CG1-CD2 4.04Å; I978-Q1166 HydrophobicContact CB-CB 4.14Å; I978-Q1166 HydrophobicContact CG1-CB 3.61Å; I978-Q1166 HydrophobicContact CG2-CB 3.43Å; I978-Q1166 VanDerWaalsContact CG2-CB 3.43Å; I978-Q1166 HydrophobicContact CG2-CG 3.63Å
979R66.6Low66.5Low77 Ų7739.6 Ų39.629%0.29121%0.21SC..EExtended strand (participates in β ladder)trans-107.2151.2178.6-155.781143.1130.2-63.9112.3E957 N1070 Q1071 S1072E957-R979 PolarHBondContact O-NE 3.09Å; E957-R979 PolarHBondContact O-NH2 2.93Å; E957-R979 IonicContact OE1-CZ 2.66Å; E957-R979 IonicContact OE1-NH2 3.94Å; E957-R979 PolarHBondContact OE1-NH2 3.28Å; E957-R979 IonicContact OE2-NH2 3.82Å; E957-R979 PolarHBondContact OE2-NH2 3.48Å; R979-N1070 PolarHBondContact NH1-O 3.43Å; R979-Q1071 CarbonylContact C-O 3.29Å; R979-S1072 WeakPolarHBondContact CA-OG 3.48Å; R979-S1072 WeakPolarHBondContact CD-OG 3.21Å
980N58.7Low66.9Low12 Ų1241.2 Ų41.26%0.06422%0.219CC..  trans-127.8131.5179.917350.5000113.4C986 I1067 P1068 N1070 Q1071 F1100N980-C986 PolarHBondContact ND2-SG 3.01Å; N980-I1067 HydrophobicContact CB-CG2 3.92Å; N980-P1068 PolarHBondContact ND2-O 3.36Å; N980-N1070 CarbonylContact O-C 2.62Å; N980-N1070 WeakPolarHBondContact O-CA 3.47Å; N980-Q1071 WeakPolarHBondContact CB-O 3.48Å; N980-Q1071 PolarHBondContact N-O 2.83Å; N980-Q1071 PolarHBondContact O-N 2.93Å; N980-F1100 HydrophobicContact CB-CE2 3.76Å; N980-F1100 HydrophobicContact CB-CZ 4.05Å; N980-F1100 VanDerWaalsContact CG-CE2 3.49Å
981P54.5Low66.9Low110 Ų11041.5 Ų41.571%0.71422%0.221SC*.  trans-119.5104.5178.736.9-24000115.5
982T49.1Very low67.2Low39 Ų3944.6 Ų44.624%0.23924%0.24CC..  trans-146.4-176.6169.662.60000110.3S984 S1069 I1162T982-S984 WeakPolarHBondContact CB-OG 3.41Å; T982-S984 PolarHBondContact OG1-N 3.44Å; T982-S984 PolarHBondContact OG1-O 3.47Å; T982-S1069 WeakPolarHBondContact O-CB 3.28Å; T982-I1162 HydrophobicContact CG2-CB 4.22Å; T982-I1162 HydrophobicContact CG2-CD1 3.34Å; T982-I1162 HydrophobicContact CG2-CG1 3.69Å
983L52.3Low67.5Low161 Ų16145 Ų4584%0.84324%0.242SC*.SBendtrans-113.638.7163.5-145.5-178.5000109.7
984S51.6Low67.8Low18 Ų1849.4 Ų49.413%0.12626%0.257CS..SBendtrans-168.493.9-160.832.90000110.2T982 M1160 V1161 I1162T982-S984 WeakPolarHBondContact CB-OG 3.41Å; T982-S984 PolarHBondContact OG1-N 3.44Å; T982-S984 PolarHBondContact OG1-O 3.47Å; S984-M1160 WeakPolarHBondContact CA-O 3.33Å; S984-M1160 VanDerWaalsContact CB-C 3.43Å; S984-M1160 VanDerWaalsContact CB-O 3.28Å; S984-M1160 WeakPolarHBondContact CB-O 3Å; S984-V1161 VanDerWaalsContact CB-CA 3.41Å; S984-I1162 PolarHBondContact O-N 3.31Å; S984-I1162 WeakPolarHBondContact OG-CG1 3.3Å
985D58.8Low67.9Low30 Ų3049.9 Ų49.916%0.1626%0.259CS..  trans-67.6175.2-160.2-44.5-55.2000116.8P1068 S1069 S1101 T1102D985-P1068 HydrophobicContact CB-CB 3.84Å; D985-S1069 VanDerWaalsContact OD1-CB 3.32Å; D985-S1069 WeakPolarHBondContact OD1-CB 3.48Å; D985-S1069 PolarHBondContact OD1-N 2.82Å; D985-S1069 PolarHBondContact OD1-OG 3.02Å; D985-S1101 VanDerWaalsContact C-C 3.44Å; D985-S1101 CarbonylContact C-O 3.4Å; D985-S1101 VanDerWaalsContact C-O 3.24Å; D985-S1101 CarbonylContact O-C 3.11Å; D985-T1102 VanDerWaalsContact CB-CB 3.43Å; D985-T1102 VanDerWaalsContact CB-OG1 3.28Å; D985-T1102 WeakPolarHBondContact CB-OG1 2.86Å; D985-T1102 VanDerWaalsContact CG-OG1 3.31Å; D985-T1102 PolarHBondContact N-OG1 2.83Å; D985-T1102 WeakPolarHBondContact O-CB 3.49Å; D985-T1102 PolarHBondContact O-N 2.62Å; D985-T1102 PolarHBondContact OD2-OG1 2.91Å
986C60.9Low67.8Low3 Ų353.4 Ų53.42%0.0228%0.277CS..  trans-134.1160.2-171.4-29.90000119.1N980 D1066 I1067 F1100 S1101 I1162N980-C986 PolarHBondContact ND2-SG 3.01Å; C986-D1066 CarbonylContact O-C 3.42Å; C986-D1066 WeakPolarHBondContact O-CA 3.22Å; C986-D1066 WeakPolarHBondContact O-CB 3.22Å; C986-I1067 VanDerWaalsContact C-N 3.31Å; C986-I1067 CarbonylContact C-O 3.52Å; C986-I1067 VanDerWaalsContact C-O 3.29Å; C986-I1067 WeakPolarHBondContact CA-O 3.4Å; C986-I1067 WeakPolarHBondContact CB-O 3.43Å; C986-I1067 PolarHBondContact N-O 3.15Å; C986-I1067 CarbonylContact O-C 2.94Å; C986-I1067 PolarHBondContact O-N 3.17Å; C986-F1100 HydrophobicContact CB-CB 3.09Å; C986-F1100 HydrophobicContact CB-CD2 3.17Å; C986-F1100 HydrophobicContact CB-CE2 4.31Å; C986-F1100 HydrophobicContact CB-CG 3.54Å; C986-S1101 VanDerWaalsContact C-C 3.41Å; C986-S1101 VanDerWaalsContact C-CA 3.47Å; C986-S1101 CarbonylContact C-O 3.59Å; C986-S1101 WeakPolarHBondContact CA-O 3.48Å; C986-S1101 PolarHBondContact N-O 3.32Å; C986-I1162 WeakPolarHBondContact CB-O 3.29Å; C986-I1162 PolarHBondContact SG-O 3Å
987T73.8Confident67.4Low37 Ų3757.7 Ų57.723%0.22731%0.305CS..  trans-143120.9-152.871.70000119.8D1066 F1100 S1101T987-D1066 VanDerWaalsContact CA-CB 3.47Å; T987-D1066 WeakPolarHBondContact CA-OD2 3.35Å; T987-D1066 WeakPolarHBondContact CB-OD2 3.46Å; T987-D1066 HydrophobicContact CG2-CB 4.28Å; T987-D1066 WeakPolarHBondContact CG2-OD2 3.13Å; T987-F1100 VanDerWaalsContact C-CA 3.47Å; T987-F1100 VanDerWaalsContact CA-C 3.47Å; T987-F1100 VanDerWaalsContact N-CB 3.26Å; T987-F1100 CarbonylContact O-C 3.51Å; T987-F1100 WeakPolarHBondContact O-CA 3Å; T987-F1100 PolarHBondContact O-N 3.22Å; T987-F1100 VanDerWaalsContact O-O 3.05Å; T987-F1100 PolarHBondContact OG1-O 3.02Å; T987-S1101 VanDerWaalsContact CG2-CA 3.44Å; T987-S1101 WeakPolarHBondContact CG2-O 3.22Å; T987-S1101 VanDerWaalsContact N-CA 3.27Å; T987-S1101 PolarHBondContact N-O 2.86Å; T987-S1101 WeakPolarHBondContact OG1-CA 3.33Å; T987-S1101 PolarHBondContact OG1-N 3.21Å
988K70.7Confident66.7Low95 Ų9565.4 Ų65.441%0.41333%0.33SS..  trans71.9129.5163.350.564.3-168.872.40127.2D1066 T1099 F1100K988-D1066 WeakPolarHBondContact CA-OD1 3.33Å; K988-D1066 PolarHBondContact N-OD1 2.91Å; K988-T1099 CarbonylContact C-O 3.55Å; K988-T1099 CarbonylContact O-C 3.23Å; K988-T1099 VanDerWaalsContact O-C 3.23Å; K988-T1099 WeakPolarHBondContact O-CA 3.36Å; K988-T1099 WeakPolarHBondContact O-CB 3.29Å; K988-T1099 PolarHBondContact O-OG1 2.99Å; K988-F1100 PolarHBondContact NZ-O 2.7Å
989L71.9Confident65.7Low1 Ų172.4 Ų72.41%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-149-173.5-166.6-60.270.2000117.8K1063 L1064 D1065 I1067 I1073 L1098 T1099L989-K1063 WeakPolarHBondContact O-CG 3.39Å; L989-L1064 HydrophobicContact CB-CB 3.23Å; L989-L1064 HydrophobicContact CB-CD1 4.21Å; L989-L1064 HydrophobicContact CB-CG 4.39Å; L989-L1064 HydrophobicContact CD2-CB 3.73Å; L989-L1064 HydrophobicContact CD2-CD1 3.84Å; L989-L1064 HydrophobicContact CD2-CG 4.42Å; L989-L1064 HydrophobicContact CG-CB 4.02Å; L989-L1064 PolarHBondContact N-O 3.24Å; L989-L1064 PolarHBondContact O-N 2.74Å; L989-D1065 WeakPolarHBondContact CD1-O 3.44Å; L989-I1067 HydrophobicContact CD1-CD1 4.14Å; L989-I1067 HydrophobicContact CD1-CG1 4.35Å; L989-I1067 HydrophobicContact CD2-CD1 3.92Å; L989-I1067 HydrophobicContact CG-CD1 4.39Å; L989-I1073 HydrophobicContact CD1-CD1 4.39Å; L989-I1073 HydrophobicContact CD2-CB 4.42Å; L989-I1073 HydrophobicContact CD2-CD1 3.66Å; L989-I1073 HydrophobicContact CD2-CG2 3.78Å; L989-L1098 HydrophobicContact CD2-CB 4.44Å; L989-L1098 HydrophobicContact CD2-CD1 3.58Å; L989-L1098 HydrophobicContact CD2-CD2 4.37Å; L989-L1098 HydrophobicContact CD2-CG 3.47Å; L989-L1098 VanDerWaalsContact CD2-CG 3.47Å; L989-L1098 HydrophobicContact CG-CG 3.93Å; L989-T1099 WeakPolarHBondContact CD1-O 3.28Å
990N81.2Confident64.4Low81 Ų8178 Ų7843%0.43339%0.389SS..EExtended strand (participates in β ladder)trans-153.1168.4-174.7-56-80.3000118K1062 Y1097N990-K1062 CarbonylContact C-O 3.02Å; N990-Y1097 HydrophobicContact CB-CD1 4.48Å; N990-Y1097 CarbonylContact O-C 3.57Å; N990-Y1097 WeakPolarHBondContact O-CB 2.87Å
991L77.6Confident63.3Low9 Ų983.8 Ų83.85%0.04742%0.419CS..EExtended strand (participates in β ladder)trans-168.5168.7176.7-13093.3000123.3V1034 I1061 K1062 L1064 V1075 C1096 Y1097L991-V1034 HydrophobicContact CD2-CG1 3.22Å; L991-V1034 HydrophobicContact CG-CG1 4.47Å; L991-I1061 WeakPolarHBondContact O-CG2 3.47Å; L991-K1062 HydrophobicContact CB-CB 4.05Å; L991-K1062 PolarHBondContact N-O 2.74Å; L991-K1062 PolarHBondContact O-N 3.13Å; L991-L1064 HydrophobicContact CD1-CD1 3.78Å; L991-V1075 HydrophobicContact CD1-CB 3.86Å; L991-V1075 HydrophobicContact CD1-CG1 3.69Å; L991-V1075 HydrophobicContact CD1-CG2 3.69Å; L991-V1075 HydrophobicContact CD2-CB 3.98Å; L991-V1075 HydrophobicContact CD2-CG1 3.37Å; L991-V1075 HydrophobicContact CG-CG1 4.08Å; L991-C1096 HydrophobicContact CD1-CB 4.16Å; L991-C1096 HydrophobicContact CD2-CB 4.31Å; L991-C1096 VanDerWaalsContact CD2-SG 3.54Å; L991-C1096 HydrophobicContact CG-CB 4.3Å; L991-Y1097 WeakPolarHBondContact CD1-O 3.37Å
992T77.1Confident62.1Low72 Ų7284.5 Ų84.544%0.44242%0.424SS..EExtended strand (participates in β ladder)trans-167.9151.2178.4-71.70000120.6I1061 S1095T992-I1061 HydrophobicContact CG2-CD1 4.48Å; T992-I1061 HydrophobicContact CG2-CG1 4.08Å; T992-S1095 CarbonylContact O-C 3.32Å
993V79.5Confident61.1Low15 Ų1588.6 Ų88.69%0.09145%0.449CS..EExtended strand (participates in β ladder)trans-156166.3-177.8175.20000120.8I1032 V1034 F1060 I1077 L1094 S1095V993-I1032 HydrophobicContact CG1-CD1 4.22Å; V993-V1034 HydrophobicContact CB-CG2 3.32Å; V993-V1034 HydrophobicContact CG1-CG2 4.33Å; V993-V1034 HydrophobicContact CG2-CB 4.25Å; V993-V1034 HydrophobicContact CG2-CG1 4.03Å; V993-V1034 HydrophobicContact CG2-CG2 3.24Å; V993-F1060 PolarHBondContact N-O 3.3Å; V993-F1060 PolarHBondContact O-N 3.34Å; V993-I1077 HydrophobicContact CB-CG2 4.44Å; V993-I1077 HydrophobicContact CG1-CG2 3.81Å; V993-I1077 HydrophobicContact CG2-CD1 3.84Å; V993-I1077 HydrophobicContact CG2-CG1 4.17Å; V993-I1077 HydrophobicContact CG2-CG2 3.96Å; V993-L1094 HydrophobicContact CG1-CB 4.23Å; V993-L1094 HydrophobicContact CG1-CG 4.04Å; V993-S1095 WeakPolarHBondContact CG2-O 3.47Å
994R78.9Confident59.9Low144 Ų14489.9 Ų89.954%0.54345%0.451SS..  trans-140.1-169.4167.8-140.2-171.8161.359.88.5118.1I1032 T1093R994-I1032 WeakPolarHBondContact O-CD1 3.12Å; R994-T1093 CarbonylContact C-O 3.47Å
995L77.4Confident58.7Low19 Ų1998 Ų9810%0.09948%0.484CS..  trans-173.6158.2179156.3158.5000118.1I1032 A1058 L1092L995-I1032 HydrophobicContact CB-CD1 3.55Å; L995-I1032 HydrophobicContact CB-CG2 4.32Å; L995-I1032 HydrophobicContact CD1-CB 3.72Å; L995-I1032 HydrophobicContact CD1-CD1 3.55Å; L995-I1032 HydrophobicContact CD1-CG1 4.15Å; L995-I1032 HydrophobicContact CD1-CG2 3.82Å; L995-I1032 HydrophobicContact CD2-CG2 4.32Å; L995-I1032 HydrophobicContact CG-CD1 4.22Å; L995-I1032 HydrophobicContact CG-CG2 4.42Å; L995-A1058 PolarHBondContact N-O 3.38Å; L995-L1092 HydrophobicContact CD1-CB 4.03Å; L995-L1092 HydrophobicContact CD1-CD1 3.8Å; L995-L1092 HydrophobicContact CD1-CD2 3.64Å; L995-L1092 HydrophobicContact CD1-CG 4Å; L995-L1092 HydrophobicContact CD2-CD2 4.04Å; L995-L1092 HydrophobicContact CG-CB 4.27Å; L995-L1092 HydrophobicContact CG-CD2 3.66Å; L995-L1092 HydrophobicContact CG-CG 4.38Å
996I71.1Confident57.2Low119 Ų119102.4 Ų102.461%0.6151%0.514SS*.  trans-161.1149.3-177.6-39.6176.2000117.4
997P62.2Low55.7Low96 Ų96109.4 Ų109.462%0.62355%0.552SS**  trans-102.2177.6168.240.1-35.6000117.2
998R60.3Low53.5Low196 Ų196115.3 Ų115.374%0.7458%0.582SS**  trans-136.3141.2-168.6-171.4173.4-175.6165.63117.2
999E46.2Very low51.4Low186 Ų186115.1 Ų115.187%0.86960%0.598SS**  trans-89165.6172.3-64.7-177.6149.200113.1
1000K39Very low49.2Very low195 Ų195120.9 Ų120.985%0.84864%0.637SS**  trans-115.5120.9-175.2-153.9-176.1-173-169.90112
1001D35.5Very low46.5Very low133 Ų133124.4 Ų124.471%0.71166%0.656SS**  trans-68.8142.7179.3-70.6-68.6000112.9T1003D1001-T1003 PolarHBondContact O-N 2.87Å
1002P28.1Very low44Very low126 Ų126130.2 Ų130.282%0.81869%0.692SS**  trans-9374.8-168.836.7-37.1000114.2
1003T28.7Very low41.5Very low124 Ų124131.8 Ų131.876%0.76171%0.706SS**  trans-138.9157.7168.645.60000112.6D1001D1001-T1003 PolarHBondContact O-N 2.87Å
1004E27.6Very low38.9Very low188 Ų188137 Ų13788%0.87974%0.737SS**  trans77.273.3174.8-52.7-168.5160.400117.4
1005F25.5Very low36.2Very low189 Ų189136.1 Ų136.183%0.82975%0.749SS**  trans-80.9143.6136.5-76-87.2000107.8
1006P28.7Very low33.6Very low122 Ų122140.2 Ų140.279%0.79277%0.774SS**  -147.8117.282.734.7-14.9000115.3
1007D28.8Very low31.2Very low151 Ų151139.5 Ų139.581%0.80778%0.78SS**  trans-67.7143.2169.2-72.7-54.6000112.1
1008N27.7Very low29.3Very low161 Ų161144.5 Ų144.586%0.86179%0.788SS**  trans-141.6144-178.1-144-12.3000110.9
1009A26.7Very low27.5Very low90 Ų90141.5 Ų141.574%0.74479%0.791SS**SBendtrans65.192.9171.700000120
1010C25.1Very low26.4Very low122 Ų122138.8 Ų138.882%0.82479%0.788SS**  78.6104.7125.1-150.80000120.8
1011N23.8Very low25.7Very low156 Ų156135.5 Ų135.583%0.83478%0.784SS**  trans-60.9136.9163.6-53.9-47.5000112.3
1012T26.8Very low25Very low131 Ų131135.5 Ų135.580%0.80479%0.789SS**  trans-127.495.4153.5-36.80000109.6T1014T1012-T1014 PolarHBondContact O-N 3.41Å
1013S24.1Very low24.8Very low105 Ų105135.1 Ų135.173%0.73478%0.784SS**  trans-75.9116.5-174.553.20000112.3
1014T24Very low24.6Very low123 Ų123136.7 Ų136.776%0.75579%0.788SS**  trans-117.297.7166.7-48.60000109.1T1012 V1016T1012-T1014 PolarHBondContact O-N 3.41Å; T1014-V1016 PolarHBondContact O-N 3.27Å; T1014-V1016 VanDerWaalsContact O-N 3.08Å
1015T22.7Very low24.6Very low127 Ų127133.3 Ų133.378%0.77978%0.782SS**  trans-79.290.8-168.3-46.10000112.2
1016V24Very low24.8Very low104 Ų104130.4 Ų130.463%0.6378%0.78SS**  trans-90.1102.5168.1-175.60000109.1T1014 Y1018T1014-V1016 PolarHBondContact O-N 3.27Å; T1014-V1016 VanDerWaalsContact O-N 3.08Å; V1016-Y1018 HydrophobicContact CG1-CD2 4.04Å; V1016-Y1018 HydrophobicContact CG1-CE2 3.59Å; V1016-Y1018 PolarHBondContact O-N 3.29Å; V1016-Y1018 VanDerWaalsContact O-N 3.12Å
1017S20.4Very low25.1Very low105 Ų105131.1 Ų131.173%0.73478%0.782SS**  trans-80.987.5-17356.60000112.8T1019S1017-T1019 PolarHBondContact O-N 3.3Å
1018Y22.5Very low25.9Very low201 Ų201128.5 Ų128.579%0.78877%0.767SS**  trans-78.5111.6162.5-71.7-80000109.9V1016 T1020V1016-Y1018 HydrophobicContact CG1-CD2 4.04Å; V1016-Y1018 HydrophobicContact CG1-CE2 3.59Å; V1016-Y1018 PolarHBondContact O-N 3.29Å; V1016-Y1018 VanDerWaalsContact O-N 3.12Å; Y1018-T1020 PolarHBondContact O-N 3.46Å; Y1018-T1020 VanDerWaalsContact O-N 3.16Å
1019T22.3Very low27.2Very low133 Ų133126.3 Ų126.382%0.81676%0.755SS**  trans-69.6106.8173.1450000110.1S1017 V1021S1017-T1019 PolarHBondContact O-N 3.3Å; T1019-V1021 PolarHBondContact O-N 2.81Å
1020T23Very low29.5Very low129 Ų129126.3 Ų126.379%0.79174%0.743SS**  trans-68.2108.9179.546.30000111.6Y1018Y1018-T1020 PolarHBondContact O-N 3.46Å; Y1018-T1020 VanDerWaalsContact O-N 3.16Å
1021V23.6Very low31.9Very low126 Ų126122.5 Ų122.576%0.76471%0.711SS**  trans-73.5123.5165.2177.30000108.4T1019 T1023T1019-V1021 PolarHBondContact O-N 2.81Å; V1021-T1023 PolarHBondContact O-N 3.42Å
1022T21.4Very low34.6Very low133 Ų133115.6 Ų115.682%0.81667%0.674SS**  trans-76.9100.8-175.549.90000111.9
1023T24Very low36.9Very low117 Ų117109.6 Ų109.672%0.71864%0.637SS**  trans-118.6127.7164.352.50000109.4V1021 P1025V1021-T1023 PolarHBondContact O-N 3.42Å; T1023-P1025 WeakPolarHBondContact O-CD 3.28Å
1024N23.2Very low38.8Very low158 Ų158104.7 Ų104.785%0.84560%0.603SS**PPolyproline II helixtrans-64.3123.4-176.3-67.2-28.2000111.2
1025P28Very low40.6Very low116 Ų11698.9 Ų98.975%0.75357%0.567SS**PPolyproline II helixtrans-72.8129.4173.629.4-32.9000110.4T1023 V1027T1023-P1025 WeakPolarHBondContact O-CD 3.28Å; P1025-V1027 PolarHBondContact O-N 3.03Å
1026T30.4Very low42.6Very low128 Ų12895 Ų9579%0.78554%0.542SS*.PPolyproline II helixtrans-74.8120.5173.848.10000110.4
1027V34.8Very low44.6Very low138 Ų13890.2 Ų90.284%0.83651%0.512SS*.PPolyproline II helixtrans-75.6145.9178.5-175.40000110.5P1025P1025-V1027 PolarHBondContact O-N 3.03Å
1028I45.3Very low46.7Very low95 Ų9587.6 Ų87.649%0.48749%0.494SS..  trans-131.4130.7-171.8-56176.6000110.7S1082I1028-S1082 PolarHBondContact O-OG 3.01Å
1029D55Low48.7Very low116 Ų11680 Ų8062%0.6247%0.466SS*.  trans-94.4175.9-173.5-72.4-43.5000116.1Y1031D1029-Y1031 HydrophobicContact CB-CE2 4.42Å; D1029-Y1031 VanDerWaalsContact O-CE2 3.28Å; D1029-Y1031 WeakPolarHBondContact O-CE2 3.48Å
1030N76Confident50.9Low90 Ų9073.8 Ų73.848%0.48143%0.427SS..  trans-116.2154.6-173.6-57.1-19.1000114.3C1080 C1081N1030-C1080 WeakPolarHBondContact CA-O 3.49Å; N1030-C1080 WeakPolarHBondContact CB-O 3.34Å; N1030-C1081 WeakPolarHBondContact OD1-CA 3.5Å
1031Y75.5Confident52.9Low41 Ų4170.5 Ų70.516%0.16140%0.404CS..EExtended strand (participates in β ladder)trans-149.6162.8-168.8-51.2-100000115.6D1029 I1044 K1047 L1079 C1080D1029-Y1031 HydrophobicContact CB-CE2 4.42Å; D1029-Y1031 VanDerWaalsContact O-CE2 3.28Å; D1029-Y1031 WeakPolarHBondContact O-CE2 3.48Å; Y1031-I1044 HydrophobicContact CD1-CB 4.4Å; Y1031-I1044 HydrophobicContact CD1-CG1 3.59Å; Y1031-I1044 HydrophobicContact CD2-CD1 4.04Å; Y1031-I1044 HydrophobicContact CD2-CG1 3.68Å; Y1031-I1044 HydrophobicContact CE1-CB 4.17Å; Y1031-I1044 HydrophobicContact CE1-CG1 3.78Å; Y1031-I1044 HydrophobicContact CE1-CG2 4.31Å; Y1031-I1044 HydrophobicContact CE2-CD1 4.38Å; Y1031-I1044 HydrophobicContact CE2-CG1 3.88Å; Y1031-I1044 HydrophobicContact CE2-CG2 4.3Å; Y1031-I1044 HydrophobicContact CG-CD1 4.22Å; Y1031-I1044 HydrophobicContact CG-CG1 3.55Å; Y1031-K1047 HydrophobicContact CE1-CD 4.28Å; Y1031-L1079 CarbonylContact O-C 3.41Å; Y1031-L1079 WeakPolarHBondContact O-CA 3.26Å; Y1031-L1079 WeakPolarHBondContact O-CB 3.29Å; Y1031-C1080 HydrophobicContact CD2-CB 4.28Å; Y1031-C1080 PolarHBondContact N-O 3.02Å; Y1031-C1080 PolarHBondContact O-N 2.9Å; Y1031-C1080 VanDerWaalsContact O-N 3.09Å
1032I79.7Confident54.8Low11 Ų1167.7 Ų67.76%0.05639%0.391CS..EExtended strand (participates in β ladder)trans-157.5156.3173.8-178.1171.4000116.1V993 R994 L995 A1058 S1078 L1079 L1094V993-I1032 HydrophobicContact CG1-CD1 4.22Å; R994-I1032 WeakPolarHBondContact O-CD1 3.12Å; L995-I1032 HydrophobicContact CB-CD1 3.55Å; L995-I1032 HydrophobicContact CB-CG2 4.32Å; L995-I1032 HydrophobicContact CD1-CB 3.72Å; L995-I1032 HydrophobicContact CD1-CD1 3.55Å; L995-I1032 HydrophobicContact CD1-CG1 4.15Å; L995-I1032 HydrophobicContact CD1-CG2 3.82Å; L995-I1032 HydrophobicContact CD2-CG2 4.32Å; L995-I1032 HydrophobicContact CG-CD1 4.22Å; L995-I1032 HydrophobicContact CG-CG2 4.42Å; I1032-A1058 HydrophobicContact CG2-CB 3.4Å; I1032-A1058 VanDerWaalsContact CG2-CB 3.4Å; I1032-S1078 CarbonylContact C-O 3.49Å; I1032-S1078 WeakPolarHBondContact CA-O 3.32Å; I1032-S1078 WeakPolarHBondContact CG1-O 3.14Å; I1032-L1079 HydrophobicContact CB-CB 4.19Å; I1032-L1079 HydrophobicContact CG1-CB 4.37Å; I1032-L1094 HydrophobicContact CD1-CD1 3.5Å; I1032-L1094 HydrophobicContact CD1-CG 3.98Å
1033I75.6Confident56.8Low6 Ų665.3 Ų65.33%0.03137%0.37CS..EExtended strand (participates in β ladder)trans-158.1160.4171.6-171.9144000115G1035 E1039 L1040 F1060 I1077 S1078I1033-G1035 PolarHBondContact O-N 2.99Å; I1033-E1039 HydrophobicContact CD1-CB 3.57Å; I1033-E1039 HydrophobicContact CG1-CB 4.12Å; I1033-E1039 HydrophobicContact CG2-CB 4.26Å; I1033-L1040 HydrophobicContact CG2-CB 3.64Å; I1033-L1040 HydrophobicContact CG2-CD1 4.17Å; I1033-L1040 HydrophobicContact CG2-CG 4.43Å; I1033-F1060 HydrophobicContact CD1-CD2 3.67Å; I1033-F1060 HydrophobicContact CD1-CE1 4.38Å; I1033-F1060 HydrophobicContact CD1-CE2 3.33Å; I1033-F1060 HydrophobicContact CD1-CG 4.33Å; I1033-F1060 HydrophobicContact CD1-CZ 3.71Å; I1033-F1060 HydrophobicContact CG1-CB 4.36Å; I1033-F1060 HydrophobicContact CG1-CD1 3.96Å; I1033-F1060 HydrophobicContact CG1-CD2 3.62Å; I1033-F1060 HydrophobicContact CG1-CE1 3.97Å; I1033-F1060 HydrophobicContact CG1-CE2 3.66Å; I1033-F1060 HydrophobicContact CG1-CG 3.76Å; I1033-F1060 HydrophobicContact CG1-CZ 3.81Å; I1033-I1077 WeakPolarHBondContact O-CA 3.31Å; I1033-I1077 VanDerWaalsContact O-CG2 3.23Å; I1033-I1077 WeakPolarHBondContact O-CG2 3.13Å; I1033-S1078 PolarHBondContact N-O 2.81Å; I1033-S1078 PolarHBondContact O-N 3.25Å
1034V63Low58.6Low1 Ų161 Ų611%0.00634%0.342CS..SBendtrans-8860.6162.7-159.40000111.1L991 V993 F1060 K1062 T1076 I1077L991-V1034 HydrophobicContact CD2-CG1 3.22Å; L991-V1034 HydrophobicContact CG-CG1 4.47Å; V993-V1034 HydrophobicContact CB-CG2 3.32Å; V993-V1034 HydrophobicContact CG1-CG2 4.33Å; V993-V1034 HydrophobicContact CG2-CB 4.25Å; V993-V1034 HydrophobicContact CG2-CG1 4.03Å; V993-V1034 HydrophobicContact CG2-CG2 3.24Å; V1034-F1060 HydrophobicContact CB-CB 4.48Å; V1034-F1060 HydrophobicContact CB-CD1 3.53Å; V1034-F1060 HydrophobicContact CB-CE1 4.17Å; V1034-F1060 HydrophobicContact CB-CG 4.44Å; V1034-F1060 HydrophobicContact CG2-CB 3.89Å; V1034-F1060 HydrophobicContact CG2-CD1 3.76Å; V1034-F1060 HydrophobicContact CG2-CG 4.32Å; V1034-F1060 WeakPolarHBondContact CG2-O 2.95Å; V1034-K1062 WeakPolarHBondContact O-CD 3.41Å; V1034-T1076 CarbonylContact C-O 3.49Å; V1034-I1077 HydrophobicContact CG1-CG1 4.48Å
1035G61.9Low60.3Low1 Ų157 Ų571%0.0133%0.327CS..SBendtrans-144.7154.6172.800000108.6I1033 T1076 S1078I1033-G1035 PolarHBondContact O-N 2.99Å; G1035-T1076 CarbonylContact C-O 3.49Å; G1035-T1076 PolarHBondContact N-O 2.95Å; G1035-S1078 WeakPolarHBondContact O-CB 3.26Å; G1035-S1078 PolarHBondContact O-N 2.81Å; G1035-S1078 PolarHBondContact O-OG 3.29Å
1036I65.2Low61.5Low47 Ų4755.8 Ų55.824%0.24132%0.317CS..  trans-24.7144.8134.763.4-148.6000113.7S1038 E1039 T1076 I1288I1036-S1038 VanDerWaalsContact C-N 3.25Å; I1036-S1038 PolarHBondContact O-N 2.92Å; I1036-S1038 VanDerWaalsContact O-N 3.1Å; I1036-E1039 HydrophobicContact CD1-CG 4.21Å; I1036-E1039 WeakPolarHBondContact CD1-OE1 3.22Å; I1036-E1039 HydrophobicContact CG1-CG 3.86Å; I1036-E1039 PolarHBondContact O-N 2.93Å; I1036-E1039 VanDerWaalsContact O-N 3.09Å; I1036-T1076 HydrophobicContact CG2-CG2 4.34Å; I1036-I1288 HydrophobicContact CB-CD1 3.46Å; I1036-I1288 VanDerWaalsContact CB-CD1 3.46Å; I1036-I1288 HydrophobicContact CB-CG2 4.21Å; I1036-I1288 HydrophobicContact CD1-CD1 3.5Å; I1036-I1288 VanDerWaalsContact CD1-CD1 3.5Å; I1036-I1288 HydrophobicContact CG1-CD1 3.58Å; I1036-I1288 HydrophobicContact CG2-CD1 3.78Å
1037S65.6Low62.4Low2 Ų255.5 Ų55.51%0.01431%0.305CS..Hα-helixtrans-65.2-18.3-168.944.10000115.3Q973 E1039 L1040 I1041 S1078Q973-S1037 PolarHBondContact NE2-OG 3.01Å; S1037-E1039 VanDerWaalsContact C-N 3.34Å; S1037-L1040 WeakPolarHBondContact O-CB 3.5Å; S1037-L1040 PolarHBondContact O-N 2.87Å; S1037-L1040 VanDerWaalsContact O-N 3.16Å; S1037-I1041 WeakPolarHBondContact O-CD1 3.5Å; S1037-I1041 VanDerWaalsContact O-CG1 3.25Å; S1037-I1041 WeakPolarHBondContact O-CG1 3.12Å; S1037-I1041 PolarHBondContact O-N 2.86Å; S1037-S1078 WeakPolarHBondContact CA-OG 3.25Å; S1037-S1078 PolarHBondContact N-OG 2.76Å; S1037-S1078 VanDerWaalsContact N-OG 3.16Å
1038S65Low63Low51 Ų5155.2 Ų55.236%0.35730%0.299SS..Hα-helixtrans-65-36.1172.650.60000112.8I1036 L1040 I1041 S1042 I1288I1036-S1038 VanDerWaalsContact C-N 3.25Å; I1036-S1038 PolarHBondContact O-N 2.92Å; I1036-S1038 VanDerWaalsContact O-N 3.1Å; S1038-L1040 PolarHBondContact O-N 2.92Å; S1038-I1041 PolarHBondContact O-N 3.16Å; S1038-S1042 PolarHBondContact O-N 3.29Å; S1038-I1288 WeakPolarHBondContact OG-CG2 3.34Å
1039E64.6Low62.7Low42 Ų4257.6 Ų57.620%0.19631%0.311CS..Hα-helixtrans-62.2-39.4173.4-63.4-178.4-148.600109.5I1033 I1036 S1037 S1042 H1043 K1062I1033-E1039 HydrophobicContact CD1-CB 3.57Å; I1033-E1039 HydrophobicContact CG1-CB 4.12Å; I1033-E1039 HydrophobicContact CG2-CB 4.26Å; I1036-E1039 HydrophobicContact CD1-CG 4.21Å; I1036-E1039 WeakPolarHBondContact CD1-OE1 3.22Å; I1036-E1039 HydrophobicContact CG1-CG 3.86Å; I1036-E1039 PolarHBondContact O-N 2.93Å; I1036-E1039 VanDerWaalsContact O-N 3.09Å; S1037-E1039 VanDerWaalsContact C-N 3.34Å; E1039-S1042 PolarHBondContact O-N 2.86Å; E1039-S1042 PolarHBondContact O-OG 2.79Å; E1039-H1043 PolarHBondContact O-N 3.42Å; E1039-H1043 VanDerWaalsContact O-N 3.11Å; E1039-K1062 IonicContact OE1-NZ 2.75Å; E1039-K1062 PolarHBondContact OE1-NZ 3.2Å; E1039-K1062 IonicContact OE2-NZ 2.62Å
1040L68.8Low61.4Low1 Ų158.6 Ų58.61%0.00532%0.316CS..Hα-helixtrans-65.9-46.5175.7-171.955.1000112.4I971 I1033 S1037 S1038 S1042 H1043 I1044 L1079 C1080I971-L1040 HydrophobicContact CD1-CB 4.48Å; I971-L1040 HydrophobicContact CD1-CD2 3.81Å; I971-L1040 HydrophobicContact CD1-CG 4.19Å; I971-L1040 HydrophobicContact CG1-CD2 4.02Å; I971-L1040 HydrophobicContact CG2-CD2 3.96Å; I1033-L1040 HydrophobicContact CG2-CB 3.64Å; I1033-L1040 HydrophobicContact CG2-CD1 4.17Å; I1033-L1040 HydrophobicContact CG2-CG 4.43Å; S1037-L1040 WeakPolarHBondContact O-CB 3.5Å; S1037-L1040 PolarHBondContact O-N 2.87Å; S1037-L1040 VanDerWaalsContact O-N 3.16Å; S1038-L1040 PolarHBondContact O-N 2.92Å; L1040-S1042 VanDerWaalsContact C-N 3.29Å; L1040-S1042 PolarHBondContact O-N 2.91Å; L1040-H1043 CarbonylContact O-C 3.55Å; L1040-H1043 WeakPolarHBondContact O-CA 3.36Å; L1040-H1043 WeakPolarHBondContact O-CB 3.43Å; L1040-H1043 PolarHBondContact O-N 3.31Å; L1040-I1044 HydrophobicContact CG-CD1 4.22Å; L1040-I1044 WeakPolarHBondContact O-CG1 3.1Å; L1040-I1044 PolarHBondContact O-N 3.08Å; L1040-L1079 VanDerWaalsContact CD2-CA 3.46Å; L1040-C1080 HydrophobicContact CD2-CB 4.42Å
1041I65Low59.2Low60 Ų6059.5 Ų59.531%0.30833%0.33SS..Hα-helixtrans-59.7-41.5178.9-69.1160.8000110.2I971 S1037 S1038 H1043 I1044 S1045 Y1291I971-I1041 HydrophobicContact CD1-CD1 4.41Å; I971-I1041 HydrophobicContact CD1-CG1 3.86Å; S1037-I1041 WeakPolarHBondContact O-CD1 3.5Å; S1037-I1041 VanDerWaalsContact O-CG1 3.25Å; S1037-I1041 WeakPolarHBondContact O-CG1 3.12Å; S1037-I1041 PolarHBondContact O-N 2.86Å; S1038-I1041 PolarHBondContact O-N 3.16Å; I1041-H1043 VanDerWaalsContact C-N 3.27Å; I1041-H1043 PolarHBondContact O-N 3.12Å; I1041-I1044 WeakPolarHBondContact O-CB 3.38Å; I1041-I1044 PolarHBondContact O-N 2.84Å; I1041-S1045 PolarHBondContact O-N 2.86Å; I1041-S1045 PolarHBondContact O-OG 2.92Å; I1041-Y1291 HydrophobicContact CD1-CD2 4.12Å; I1041-Y1291 HydrophobicContact CG1-CD2 4.1Å
1042S63.7Low57.1Low68 Ų6863 Ų6348%0.47636%0.36SS..Hα-helixtrans-62.5-35.3172.782.10000112.6S1038 E1039 L1040 S1045 T1046S1038-S1042 PolarHBondContact O-N 3.29Å; E1039-S1042 PolarHBondContact O-N 2.86Å; E1039-S1042 PolarHBondContact O-OG 2.79Å; L1040-S1042 VanDerWaalsContact C-N 3.29Å; L1040-S1042 PolarHBondContact O-N 2.91Å; S1042-S1045 PolarHBondContact O-N 3.23Å; S1042-T1046 WeakPolarHBondContact O-CB 3.47Å; S1042-T1046 WeakPolarHBondContact O-CG2 3.49Å; S1042-T1046 PolarHBondContact O-N 2.92Å; S1042-T1046 PolarHBondContact O-OG1 3.2Å
1043H63.3Low54.7Low83 Ų8371.4 Ų71.438%0.38440%0.399SS..Hα-helixtrans-74.6-25.8178.4-144.1-35.5000113.3E1039 L1040 I1041 T1046E1039-H1043 PolarHBondContact O-N 3.42Å; E1039-H1043 VanDerWaalsContact O-N 3.11Å; L1040-H1043 CarbonylContact O-C 3.55Å; L1040-H1043 WeakPolarHBondContact O-CA 3.36Å; L1040-H1043 WeakPolarHBondContact O-CB 3.43Å; L1040-H1043 PolarHBondContact O-N 3.31Å; I1041-H1043 VanDerWaalsContact C-N 3.27Å; I1041-H1043 PolarHBondContact O-N 3.12Å; H1043-T1046 WeakPolarHBondContact CA-OG1 3.36Å; H1043-T1046 PolarHBondContact O-OG1 3.16Å
1044I61.3Low52.6Low27 Ų2780.3 Ų80.314%0.13844%0.438CS..Hα-helixtrans-69.9-56.1168.5-67166.3000109.2I971 Y1031 L1040 I1041 T1046 K1047I971-I1044 HydrophobicContact CD1-CD1 4.27Å; Y1031-I1044 HydrophobicContact CD1-CB 4.4Å; Y1031-I1044 HydrophobicContact CD1-CG1 3.59Å; Y1031-I1044 HydrophobicContact CD2-CD1 4.04Å; Y1031-I1044 HydrophobicContact CD2-CG1 3.68Å; Y1031-I1044 HydrophobicContact CE1-CB 4.17Å; Y1031-I1044 HydrophobicContact CE1-CG1 3.78Å; Y1031-I1044 HydrophobicContact CE1-CG2 4.31Å; Y1031-I1044 HydrophobicContact CE2-CD1 4.38Å; Y1031-I1044 HydrophobicContact CE2-CG1 3.88Å; Y1031-I1044 HydrophobicContact CE2-CG2 4.3Å; Y1031-I1044 HydrophobicContact CG-CD1 4.22Å; Y1031-I1044 HydrophobicContact CG-CG1 3.55Å; L1040-I1044 HydrophobicContact CG-CD1 4.22Å; L1040-I1044 WeakPolarHBondContact O-CG1 3.1Å; L1040-I1044 PolarHBondContact O-N 3.08Å; I1041-I1044 WeakPolarHBondContact O-CB 3.38Å; I1041-I1044 PolarHBondContact O-N 2.84Å; I1044-T1046 VanDerWaalsContact C-N 3.31Å; I1044-T1046 PolarHBondContact O-N 3.22Å; I1044-K1047 PolarHBondContact O-N 3.03Å
1045S57.9Low51.1Low74 Ų7486.5 Ų86.552%0.51748%0.481SS..Hα-helixtrans-59.5-37.1-177.1-59.80000113.5I1041 S1042I1041-S1045 PolarHBondContact O-N 2.86Å; I1041-S1045 PolarHBondContact O-OG 2.92Å; S1042-S1045 PolarHBondContact O-N 3.23Å
1046T54.7Low50.1Low89 Ų8991.8 Ų91.855%0.54652%0.518SS..Hα-helixtrans-73.7-25.2-179.646.40000114.1S1042 H1043 I1044S1042-T1046 WeakPolarHBondContact O-CB 3.47Å; S1042-T1046 WeakPolarHBondContact O-CG2 3.49Å; S1042-T1046 PolarHBondContact O-N 2.92Å; S1042-T1046 PolarHBondContact O-OG1 3.2Å; H1043-T1046 WeakPolarHBondContact CA-OG1 3.36Å; H1043-T1046 PolarHBondContact O-OG1 3.16Å; I1044-T1046 VanDerWaalsContact C-N 3.31Å; I1044-T1046 PolarHBondContact O-N 3.22Å
1047K49.5Very low49.5Very low122 Ų12291.6 Ų91.653%0.5353%0.527SS..Hα-helixtrans-73.4-27.4178.2-105.8-171.9173.1-173.10113.5Y1031 I1044 I1049 N1050Y1031-K1047 HydrophobicContact CE1-CD 4.28Å; I1044-K1047 PolarHBondContact O-N 3.03Å; K1047-I1049 PolarHBondContact O-N 2.77Å; K1047-N1050 PolarHBondContact O-N 3.11Å
1048N46.6Very low49.6Very low132 Ų13293.1 Ų93.171%0.70654%0.54SS*.THydrogen-bonded Turntrans-65.9-1.8-176.1-83.7-3.9000115.7
1049I38.2Very low50.1Low145 Ų14598 Ų9874%0.74455%0.552SS**THydrogen-bonded Turntrans-106.5-24.2178.8-60.7177.8000112.4K1047K1047-I1049 PolarHBondContact O-N 2.77Å
1050N29.4Very low50.6Low137 Ų13799 Ų9973%0.73356%0.556SS**SBendtrans-115.2106.1-174.3-76.8-40.5000111.9K1047K1047-N1050 PolarHBondContact O-N 3.11Å
1051S29.3Very low50.7Low109 Ų109104.6 Ų104.676%0.76258%0.584SS**  trans-76.5167.7-173.458.40000114.7
1052S30.3Very low51.4Low114 Ų114105 Ų10580%0.79758%0.584SS**  trans71.464.4158.870.40000119
1053Q30.2Very low51.8Low189 Ų189108.8 Ų108.888%0.88359%0.592SS**  trans-127.2147.4153.5-74.7-164.1-17.300112.4
1054K30.7Very low52.2Low193 Ų193105.7 Ų105.784%0.83958%0.578SS**  trans-81.8151.2-176-62.7177.8179.9178.90111.3S1056K1054-S1056 PolarHBondContact O-N 2.97Å; K1054-S1056 PolarHBondContact O-OG 2.96Å; K1054-S1056 VanDerWaalsContact O-OG 3.12Å
1055S32.7Very low52.6Low131 Ų131109.7 Ų109.792%0.91660%0.6SS**SBendtrans-49.3100.8-176.551.70000114.2
1056S40.1Very low52.8Low111 Ų111109.9 Ų109.978%0.77660%0.595SS**  trans-155.2150.8175.250.30000111.1K1054K1054-S1056 PolarHBondContact O-N 2.97Å; K1054-S1056 PolarHBondContact O-OG 2.96Å; K1054-S1056 VanDerWaalsContact O-OG 3.12Å
1057G53.3Low53.1Low43 Ų43105.7 Ų105.744%0.44357%0.569SS.*  trans-80.7179.8-165.400000117.7
1058A68.2Low53.4Low35 Ų35101.8 Ų101.829%0.28956%0.556SS.*  trans-134.9167.3-162.200000116.1L995 I1032L995-A1058 PolarHBondContact N-O 3.38Å; I1032-A1058 HydrophobicContact CG2-CB 3.4Å; I1032-A1058 VanDerWaalsContact CG2-CB 3.4Å
1059Y73.7Confident53.5Low153 Ų15396.9 Ų96.960%0.653%0.532SS*.  trans-170.6163.6-162.564.2-86.3000115
1060F75.9Confident54.2Low64 Ų6494.2 Ų94.228%0.28152%0.519SS..EExtended strand (participates in β ladder)trans-166.7171.1-177.7-171.3-83.5000116.9V993 I1033 V1034V993-F1060 PolarHBondContact N-O 3.3Å; V993-F1060 PolarHBondContact O-N 3.34Å; I1033-F1060 HydrophobicContact CD1-CD2 3.67Å; I1033-F1060 HydrophobicContact CD1-CE1 4.38Å; I1033-F1060 HydrophobicContact CD1-CE2 3.33Å; I1033-F1060 HydrophobicContact CD1-CG 4.33Å; I1033-F1060 HydrophobicContact CD1-CZ 3.71Å; I1033-F1060 HydrophobicContact CG1-CB 4.36Å; I1033-F1060 HydrophobicContact CG1-CD1 3.96Å; I1033-F1060 HydrophobicContact CG1-CD2 3.62Å; I1033-F1060 HydrophobicContact CG1-CE1 3.97Å; I1033-F1060 HydrophobicContact CG1-CE2 3.66Å; I1033-F1060 HydrophobicContact CG1-CG 3.76Å; I1033-F1060 HydrophobicContact CG1-CZ 3.81Å; V1034-F1060 HydrophobicContact CB-CB 4.48Å; V1034-F1060 HydrophobicContact CB-CD1 3.53Å; V1034-F1060 HydrophobicContact CB-CE1 4.17Å; V1034-F1060 HydrophobicContact CB-CG 4.44Å; V1034-F1060 HydrophobicContact CG2-CB 3.89Å; V1034-F1060 HydrophobicContact CG2-CD1 3.76Å; V1034-F1060 HydrophobicContact CG2-CG 4.32Å; V1034-F1060 WeakPolarHBondContact CG2-O 2.95Å
1061I71.5Confident55.8Low118 Ų11891.7 Ų91.761%0.60550%0.503SS*.EExtended strand (participates in β ladder)trans-145.9151.8-174.4-61.6-175.9000114.3L991 T992L991-I1061 WeakPolarHBondContact O-CG2 3.47Å; T992-I1061 HydrophobicContact CG2-CD1 4.48Å; T992-I1061 HydrophobicContact CG2-CG1 4.08Å
1062K78.2Confident57.5Low67 Ų6787.9 Ų87.929%0.29148%0.477SS..EExtended strand (participates in β ladder)trans-150.5168.7-175.8-164.8156.7-179.1175.60118.5N990 L991 V1034 E1039N990-K1062 CarbonylContact C-O 3.02Å; L991-K1062 HydrophobicContact CB-CB 4.05Å; L991-K1062 PolarHBondContact N-O 2.74Å; L991-K1062 PolarHBondContact O-N 3.13Å; V1034-K1062 WeakPolarHBondContact O-CD 3.41Å; E1039-K1062 IonicContact OE1-NZ 2.75Å; E1039-K1062 PolarHBondContact OE1-NZ 3.2Å; E1039-K1062 IonicContact OE2-NZ 2.62Å
1063K73.8Confident59.9Low148 Ų14884 Ų8464%0.64345%0.446SS*.EExtended strand (participates in β ladder)trans-125.6159.8168.6-162.9-168.2172.3-163.40110.7L989L989-K1063 WeakPolarHBondContact O-CG 3.39Å
1064L70Confident62Low18 Ų1877.3 Ų77.39%0.09442%0.421CS..EExtended strand (participates in β ladder)trans-145.5168-166.4-81.6174.6000115.3L989 L991 I1073 V1075L989-L1064 HydrophobicContact CB-CB 3.23Å; L989-L1064 HydrophobicContact CB-CD1 4.21Å; L989-L1064 HydrophobicContact CB-CG 4.39Å; L989-L1064 HydrophobicContact CD2-CB 3.73Å; L989-L1064 HydrophobicContact CD2-CD1 3.84Å; L989-L1064 HydrophobicContact CD2-CG 4.42Å; L989-L1064 HydrophobicContact CG-CB 4.02Å; L989-L1064 PolarHBondContact N-O 3.24Å; L989-L1064 PolarHBondContact O-N 2.74Å; L991-L1064 HydrophobicContact CD1-CD1 3.78Å; L1064-I1073 HydrophobicContact CD2-CD1 4.48Å; L1064-V1075 HydrophobicContact CD1-CB 4.38Å; L1064-V1075 HydrophobicContact CD1-CG1 3.95Å; L1064-V1075 HydrophobicContact CD1-CG2 3.51Å; L1064-V1075 HydrophobicContact CD2-CG1 4.17Å; L1064-V1075 HydrophobicContact CG-CG1 4.47Å
1065D71Confident64.4Low112 Ų11268.4 Ų68.460%0.59938%0.383SS*.  trans-113.6136.1-164.9-53.4-60.3000117.1L989 I1067 I1073L989-D1065 WeakPolarHBondContact CD1-O 3.44Å; D1065-I1067 PolarHBondContact O-N 3.3Å; D1065-I1073 WeakPolarHBondContact O-CD1 3.49Å
1066D60.9Low66.6Low78 Ų7862.7 Ų62.742%0.41734%0.342SS..  trans20.491.4136-52.437.5000119.5C986 T987 K988 P1068C986-D1066 CarbonylContact O-C 3.42Å; C986-D1066 WeakPolarHBondContact O-CA 3.22Å; C986-D1066 WeakPolarHBondContact O-CB 3.22Å; T987-D1066 VanDerWaalsContact CA-CB 3.47Å; T987-D1066 WeakPolarHBondContact CA-OD2 3.35Å; T987-D1066 WeakPolarHBondContact CB-OD2 3.46Å; T987-D1066 HydrophobicContact CG2-CB 4.28Å; T987-D1066 WeakPolarHBondContact CG2-OD2 3.13Å; K988-D1066 WeakPolarHBondContact CA-OD1 3.33Å; K988-D1066 PolarHBondContact N-OD1 2.91Å; D1066-P1068 WeakPolarHBondContact O-CD 3.27Å
1067I61.2Low68.6Low1 Ų157.5 Ų57.51%0.00531%0.306CS..  trans-90.3111.2-178.5-71160.7000114.7I978 N980 C986 L989 D1065 I1073 L1098 F1100I978-I1067 HydrophobicContact CD1-CD1 4.19Å; N980-I1067 HydrophobicContact CB-CG2 3.92Å; C986-I1067 VanDerWaalsContact C-N 3.31Å; C986-I1067 CarbonylContact C-O 3.52Å; C986-I1067 VanDerWaalsContact C-O 3.29Å; C986-I1067 WeakPolarHBondContact CA-O 3.4Å; C986-I1067 WeakPolarHBondContact CB-O 3.43Å; C986-I1067 PolarHBondContact N-O 3.15Å; C986-I1067 CarbonylContact O-C 2.94Å; C986-I1067 PolarHBondContact O-N 3.17Å; L989-I1067 HydrophobicContact CD1-CD1 4.14Å; L989-I1067 HydrophobicContact CD1-CG1 4.35Å; L989-I1067 HydrophobicContact CD2-CD1 3.92Å; L989-I1067 HydrophobicContact CG-CD1 4.39Å; D1065-I1067 PolarHBondContact O-N 3.3Å; I1067-I1073 HydrophobicContact CD1-CB 3.87Å; I1067-I1073 HydrophobicContact CD1-CG2 4.36Å; I1067-I1073 HydrophobicContact CG1-CB 3.8Å; I1067-I1073 HydrophobicContact CG1-CD1 4.08Å; I1067-I1073 HydrophobicContact CG1-CG1 4.06Å; I1067-L1098 HydrophobicContact CD1-CD1 4.41Å; I1067-L1098 HydrophobicContact CD1-CD2 3.66Å; I1067-L1098 HydrophobicContact CD1-CG 4.2Å; I1067-F1100 HydrophobicContact CB-CB 4.04Å; I1067-F1100 HydrophobicContact CB-CD1 3.86Å; I1067-F1100 HydrophobicContact CB-CD2 4.24Å; I1067-F1100 HydrophobicContact CB-CE1 4.2Å; I1067-F1100 HydrophobicContact CB-CG 3.89Å; I1067-F1100 HydrophobicContact CD1-CD1 3.37Å; I1067-F1100 HydrophobicContact CD1-CE1 3.4Å; I1067-F1100 VanDerWaalsContact CD1-CE1 3.4Å; I1067-F1100 HydrophobicContact CD1-CG 4.27Å; I1067-F1100 HydrophobicContact CD1-CZ 4.3Å; I1067-F1100 HydrophobicContact CG1-CD1 4.16Å; I1067-F1100 HydrophobicContact CG1-CE1 4.4Å; I1067-F1100 HydrophobicContact CG2-CD1 4.26Å; I1067-F1100 HydrophobicContact CG2-CD2 4.2Å; I1067-F1100 HydrophobicContact CG2-CE1 4.13Å; I1067-F1100 HydrophobicContact CG2-CE2 4.09Å; I1067-F1100 HydrophobicContact CG2-CG 4.31Å; I1067-F1100 HydrophobicContact CG2-CZ 4.03Å
1068P55.9Low69.9Low39 Ų3955.5 Ų55.525%0.25329%0.285SS..  trans-77.7-165.7-175.1-22.737.1000118.4N980 D985 D1066 Q1071N980-P1068 PolarHBondContact ND2-O 3.36Å; D985-P1068 HydrophobicContact CB-CB 3.84Å; D1066-P1068 WeakPolarHBondContact O-CD 3.27Å; P1068-Q1071 HydrophobicContact CB-CG 4.19Å
1069S49.4Very low70.6Confident29 Ų2953.8 Ų53.820%0.20327%0.271CS..THydrogen-bonded Turntrans-81.6149155.363.90000111.1T982 D985 Q1071T982-S1069 WeakPolarHBondContact O-CB 3.28Å; D985-S1069 VanDerWaalsContact OD1-CB 3.32Å; D985-S1069 WeakPolarHBondContact OD1-CB 3.48Å; D985-S1069 PolarHBondContact OD1-N 2.82Å; D985-S1069 PolarHBondContact OD1-OG 3.02Å; S1069-Q1071 PolarHBondContact O-NE2 2.96Å
1070N52.1Low71Confident89 Ų8946.8 Ų46.848%0.47624%0.244SC..THydrogen-bonded Turncis-112.563.6-21.156.8106.9000108.2R979 N980R979-N1070 PolarHBondContact NH1-O 3.43Å; N980-N1070 CarbonylContact O-C 2.62Å; N980-N1070 WeakPolarHBondContact O-CA 3.47Å
1071Q62.7Low71.1Confident84 Ų8444 Ų4439%0.39323%0.232SC..  trans-139-179.2-150.361.7-178.4-108.500114.3R979 N980 P1068 S1069R979-Q1071 CarbonylContact C-O 3.29Å; N980-Q1071 WeakPolarHBondContact CB-O 3.48Å; N980-Q1071 PolarHBondContact N-O 2.83Å; N980-Q1071 PolarHBondContact O-N 2.93Å; P1068-Q1071 HydrophobicContact CB-CG 4.19Å; S1069-Q1071 PolarHBondContact O-NE2 2.96Å
1072S65.5Low70.8Confident30 Ų3040 Ų4021%0.2122%0.215CC..EExtended strand (participates in β ladder)trans-105.8163.9-175.7-60.10000113.8I978 R979I978-S1072 WeakPolarHBondContact O-CA 3.45Å; I978-S1072 WeakPolarHBondContact O-CB 3.37Å; I978-S1072 PolarHBondContact O-OG 3.03Å; R979-S1072 WeakPolarHBondContact CA-OG 3.48Å; R979-S1072 WeakPolarHBondContact CD-OG 3.21Å
1073I81.6Confident70Confident31 Ų3140.1 Ų40.116%0.15923%0.225CC..EExtended strand (participates in β ladder)trans-107.4156.3140.5-114.7-179.5000109.3T977 I978 L989 L1064 D1065 I1067 V1075 L1098T977-I1073 WeakPolarHBondContact CA-O 3.41Å; I978-I1073 PolarHBondContact N-O 2.75Å; I978-I1073 PolarHBondContact O-N 3.12Å; L989-I1073 HydrophobicContact CD1-CD1 4.39Å; L989-I1073 HydrophobicContact CD2-CB 4.42Å; L989-I1073 HydrophobicContact CD2-CD1 3.66Å; L989-I1073 HydrophobicContact CD2-CG2 3.78Å; L1064-I1073 HydrophobicContact CD2-CD1 4.48Å; D1065-I1073 WeakPolarHBondContact O-CD1 3.49Å; I1067-I1073 HydrophobicContact CD1-CB 3.87Å; I1067-I1073 HydrophobicContact CD1-CG2 4.36Å; I1067-I1073 HydrophobicContact CG1-CB 3.8Å; I1067-I1073 HydrophobicContact CG1-CD1 4.08Å; I1067-I1073 HydrophobicContact CG1-CG1 4.06Å; I1073-V1075 HydrophobicContact CG2-CG2 4.2Å; I1073-L1098 HydrophobicContact CG2-CD1 3.71Å
1074S74.4Confident68.9Low50 Ų5035.9 Ų35.935%0.3521%0.213SC..EExtended strand (participates in β ladder)trans-129.3159.6163.4-156.70000110L976 T977L976-S1074 CarbonylContact O-C 3.57Å; L976-S1074 WeakPolarHBondContact O-CA 3.5Å; L976-S1074 PolarHBondContact O-OG 2.82Å; T977-S1074 PolarHBondContact OG1-OG 2.98Å; T977-S1074 VanDerWaalsContact OG1-OG 3.13Å
1075V81.3Confident67.9Low6 Ų640.9 Ų40.94%0.03625%0.25CC..EExtended strand (participates in β ladder)trans-135.9139.9177-145.70000111.7N975 L976 L991 L1064 I1073N975-V1075 CarbonylContact C-O 3.55Å; N975-V1075 WeakPolarHBondContact CA-O 3.42Å; L976-V1075 HydrophobicContact CB-CB 4.46Å; L976-V1075 WeakPolarHBondContact CB-O 3.4Å; L976-V1075 HydrophobicContact CD2-CB 4.29Å; L976-V1075 HydrophobicContact CD2-CG2 3.82Å; L976-V1075 PolarHBondContact N-O 2.93Å; L976-V1075 PolarHBondContact O-N 2.75Å; L991-V1075 HydrophobicContact CD1-CB 3.86Å; L991-V1075 HydrophobicContact CD1-CG1 3.69Å; L991-V1075 HydrophobicContact CD1-CG2 3.69Å; L991-V1075 HydrophobicContact CD2-CB 3.98Å; L991-V1075 HydrophobicContact CD2-CG1 3.37Å; L991-V1075 HydrophobicContact CG-CG1 4.08Å; L1064-V1075 HydrophobicContact CD1-CB 4.38Å; L1064-V1075 HydrophobicContact CD1-CG1 3.95Å; L1064-V1075 HydrophobicContact CD1-CG2 3.51Å; L1064-V1075 HydrophobicContact CD2-CG1 4.17Å; L1064-V1075 HydrophobicContact CG-CG1 4.47Å; I1073-V1075 HydrophobicContact CG2-CG2 4.2Å
1076T78.8Confident66.5Low11 Ų1142 Ų427%0.06726%0.255CS..EExtended strand (participates in β ladder)trans-129.5148.6-157-54.70000112Q973 I974 N975 V1034 G1035 I1036Q973-T1076 HydrophobicContact CB-CG2 4.2Å; Q973-T1076 HydrophobicContact CG-CG2 4.16Å; I974-T1076 CarbonylContact O-C 3.24Å; I974-T1076 WeakPolarHBondContact O-CA 3.4Å; N975-T1076 WeakPolarHBondContact OD1-CA 3.43Å; N975-T1076 VanDerWaalsContact OD1-CB 3.24Å; N975-T1076 WeakPolarHBondContact OD1-CB 3.43Å; N975-T1076 WeakPolarHBondContact OD1-CG2 3.38Å; N975-T1076 PolarHBondContact OD1-OG1 3.31Å; V1034-T1076 CarbonylContact C-O 3.49Å; G1035-T1076 CarbonylContact C-O 3.49Å; G1035-T1076 PolarHBondContact N-O 2.95Å; I1036-T1076 HydrophobicContact CG2-CG2 4.34Å
1077I81.6Confident65.5Low2 Ų245.4 Ų45.41%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-138.3129.7-176.6-36.4169.9000108.1Q973 I974 V993 I1033 V1034 L1094 S1095Q973-I1077 CarbonylContact C-O 3.35Å; Q973-I1077 VanDerWaalsContact CA-O 3.27Å; Q973-I1077 WeakPolarHBondContact CA-O 3.32Å; I974-I1077 HydrophobicContact CG2-CD1 3.94Å; I974-I1077 PolarHBondContact N-O 2.79Å; I974-I1077 PolarHBondContact O-N 2.82Å; V993-I1077 HydrophobicContact CB-CG2 4.44Å; V993-I1077 HydrophobicContact CG1-CG2 3.81Å; V993-I1077 HydrophobicContact CG2-CD1 3.84Å; V993-I1077 HydrophobicContact CG2-CG1 4.17Å; V993-I1077 HydrophobicContact CG2-CG2 3.96Å; I1033-I1077 WeakPolarHBondContact O-CA 3.31Å; I1033-I1077 VanDerWaalsContact O-CG2 3.23Å; I1033-I1077 WeakPolarHBondContact O-CG2 3.13Å; V1034-I1077 HydrophobicContact CG1-CG1 4.48Å; I1077-L1094 HydrophobicContact CB-CD2 3.6Å; I1077-L1094 HydrophobicContact CB-CG 4.25Å; I1077-L1094 HydrophobicContact CD1-CB 3.78Å; I1077-L1094 HydrophobicContact CD1-CD2 4.25Å; I1077-L1094 HydrophobicContact CD1-CG 4.34Å; I1077-L1094 HydrophobicContact CG2-CB 4.19Å; I1077-L1094 HydrophobicContact CG2-CD2 3.34Å; I1077-L1094 HydrophobicContact CG2-CG 3.55Å; I1077-S1095 VanDerWaalsContact CD1-O 3.22Å; I1077-S1095 WeakPolarHBondContact CD1-O 3.38Å
1078S79.8Confident64.8Low0 Ų050 Ų500%031%0.311CS..EExtended strand (participates in β ladder)trans-126.3148.7-170.2-58.80000113.2S972 I1032 I1033 G1035 S1037S972-S1078 WeakPolarHBondContact O-CA 3.27Å; I1032-S1078 CarbonylContact C-O 3.49Å; I1032-S1078 WeakPolarHBondContact CA-O 3.32Å; I1032-S1078 WeakPolarHBondContact CG1-O 3.14Å; I1033-S1078 PolarHBondContact N-O 2.81Å; I1033-S1078 PolarHBondContact O-N 3.25Å; G1035-S1078 WeakPolarHBondContact O-CB 3.26Å; G1035-S1078 PolarHBondContact O-N 2.81Å; G1035-S1078 PolarHBondContact O-OG 3.29Å; S1037-S1078 WeakPolarHBondContact CA-OG 3.25Å; S1037-S1078 PolarHBondContact N-OG 2.76Å; S1037-S1078 VanDerWaalsContact N-OG 3.16Å
1079L83.7Confident64.6Low0 Ų053.1 Ų53.10%033%0.333CS..EExtended strand (participates in β ladder)trans-154.1158.4177.763.388.3000114.4I966 I971 S972 Y1031 I1032 L1040 L1092 L1094 L1172I966-L1079 HydrophobicContact CD1-CD1 3.6Å; I966-L1079 HydrophobicContact CG1-CD1 4.44Å; I971-L1079 CarbonylContact C-O 3.53Å; I971-L1079 WeakPolarHBondContact CA-O 3.36Å; I971-L1079 WeakPolarHBondContact CG2-O 3.34Å; S972-L1079 PolarHBondContact N-O 2.98Å; S972-L1079 PolarHBondContact O-N 2.95Å; Y1031-L1079 CarbonylContact O-C 3.41Å; Y1031-L1079 WeakPolarHBondContact O-CA 3.26Å; Y1031-L1079 WeakPolarHBondContact O-CB 3.29Å; I1032-L1079 HydrophobicContact CB-CB 4.19Å; I1032-L1079 HydrophobicContact CG1-CB 4.37Å; L1040-L1079 VanDerWaalsContact CD2-CA 3.46Å; L1079-L1092 HydrophobicContact CB-CD1 4.4Å; L1079-L1092 HydrophobicContact CD1-CD1 3.58Å; L1079-L1092 HydrophobicContact CD2-CD1 4.13Å; L1079-L1092 HydrophobicContact CG-CD1 4.24Å; L1079-L1094 HydrophobicContact CD2-CD1 3.86Å; L1079-L1094 HydrophobicContact CD2-CD2 4.02Å; L1079-L1172 HydrophobicContact CD1-CD2 4.17Å; L1079-L1172 HydrophobicContact CD2-CD1 3.5Å; L1079-L1172 HydrophobicContact CD2-CD2 3.82Å; L1079-L1172 HydrophobicContact CD2-CG 4.3Å; L1079-L1172 HydrophobicContact CG-CD2 4.4Å
1080C81Confident64.8Low6 Ų654.7 Ų54.74%0.04134%0.34CS..EExtended strand (participates in β ladder)trans-135.9146.8-175.2-163.10000113.8E970 I971 N1030 Y1031 L1040E970-C1080 WeakPolarHBondContact O-CA 3.49Å; E970-C1080 PolarHBondContact O-SG 3.07Å; I971-C1080 HydrophobicContact CG1-CB 3.74Å; N1030-C1080 WeakPolarHBondContact CA-O 3.49Å; N1030-C1080 WeakPolarHBondContact CB-O 3.34Å; Y1031-C1080 HydrophobicContact CD2-CB 4.28Å; Y1031-C1080 PolarHBondContact N-O 3.02Å; Y1031-C1080 PolarHBondContact O-N 2.9Å; Y1031-C1080 VanDerWaalsContact O-N 3.09Å; L1040-C1080 HydrophobicContact CD2-CB 4.42Å
1081C79.6Confident65.8Low4 Ų453.4 Ų53.43%0.02733%0.333CS..EExtended strand (participates in β ladder)trans-147155.3177.3-72.20000114N969 N1030 I1174N969-C1081 VanDerWaalsContact CA-O 3.24Å; N969-C1081 WeakPolarHBondContact CA-O 3.44Å; N969-C1081 PolarHBondContact N-O 2.95Å; N1030-C1081 WeakPolarHBondContact OD1-CA 3.5Å; C1081-I1174 HydrophobicContact CB-CD1 4.03Å
1082S64.8Low66.6Low34 Ų3450 Ų5024%0.23832%0.317CS..  trans-114.5174.4177.969.90000113.8N969 I1028N969-S1082 WeakPolarHBondContact OD1-CA 3.4Å; N969-S1082 WeakPolarHBondContact OD1-CB 3.15Å; I1028-S1082 PolarHBondContact O-OG 3.01Å
1083S60.5Low67.3Low71 Ų7151.9 Ų51.950%0.49733%0.327SS..  trans-133.3143.1177.4-177.60000113.2
1084S50.3Low67.3Low58 Ų5850.9 Ų50.941%0.40632%0.322SS..  trans-102126178.4178.10000110.8L1086S1084-L1086 PolarHBondContact O-N 2.95Å; S1084-L1086 VanDerWaalsContact OG-C 3.28Å; S1084-L1086 WeakPolarHBondContact OG-CA 3.27Å; S1084-L1086 PolarHBondContact OG-N 3.49Å; S1084-L1086 PolarHBondContact OG-O 2.93Å
1085S50.3Low67.7Low123 Ų12350 Ų5086%0.8632%0.316SS*.SBendtrans-70.5-5.7166.8550000113.2
1086L41.3Very low67.8Low136 Ų13650.2 Ų50.271%0.71232%0.318SS*.SBendtrans-107.380.6167-84.371.1000110.4S1084S1084-L1086 PolarHBondContact O-N 2.95Å; S1084-L1086 VanDerWaalsContact OG-C 3.28Å; S1084-L1086 WeakPolarHBondContact OG-CA 3.27Å; S1084-L1086 PolarHBondContact OG-N 3.49Å; S1084-L1086 PolarHBondContact OG-O 2.93Å
1087V39.9Very low67.5Low149 Ų14956.3 Ų56.390%0.90334%0.341SS*.SBendtrans4570.6146.6-1580000118.2
1088S45.8Very low66.8Low98 Ų9856.5 Ų56.569%0.68534%0.342SS*.  trans-151.3-173.7175.457.70000116.1
1089S51.4Low66.2Low104 Ų10459 Ų5973%0.72736%0.357SS*.  trans-136.8-169.8-157.454.90000121.2
1090N55.2Low64.3Low63 Ų6359.3 Ų59.334%0.33736%0.358SS..  trans-133.60-145.6-57.3-5.1000124.8I1174N1090-I1174 HydrophobicContact CB-CB 4.39Å; N1090-I1174 HydrophobicContact CB-CD1 3.86Å; N1090-I1174 HydrophobicContact CB-CG1 3.89Å; N1090-I1174 PolarHBondContact ND2-N 2.82Å; N1090-I1174 PolarHBondContact ND2-O 2.86Å
1091N71.8Confident62.4Low61 Ų6160.1 Ų60.133%0.32636%0.364SS..  000-66110.8000126.4L1172 T1173N1091-L1172 PolarHBondContact ND2-O 2.99Å; N1091-T1173 WeakPolarHBondContact ND2-CG2 3.46Å
1092L79.5Confident60.3Low13 Ų1362.4 Ų62.47%0.06838%0.378CS..EExtended strand (participates in β ladder)000-48.7172.1000121.3I966 L995 L1079 N1171 L1172I966-L1092 HydrophobicContact CD1-CD1 4.27Å; L995-L1092 HydrophobicContact CD1-CB 4.03Å; L995-L1092 HydrophobicContact CD1-CD1 3.8Å; L995-L1092 HydrophobicContact CD1-CD2 3.64Å; L995-L1092 HydrophobicContact CD1-CG 4Å; L995-L1092 HydrophobicContact CD2-CD2 4.04Å; L995-L1092 HydrophobicContact CG-CB 4.27Å; L995-L1092 HydrophobicContact CG-CD2 3.66Å; L995-L1092 HydrophobicContact CG-CG 4.38Å; L1079-L1092 HydrophobicContact CB-CD1 4.4Å; L1079-L1092 HydrophobicContact CD1-CD1 3.58Å; L1079-L1092 HydrophobicContact CD2-CD1 4.13Å; L1079-L1092 HydrophobicContact CG-CD1 4.24Å; L1092-N1171 PolarHBondContact O-OD1 2.9Å; L1092-L1172 HydrophobicContact CB-CD1 4.1Å; L1092-L1172 PolarHBondContact N-O 2.95Å; L1092-L1172 PolarHBondContact O-N 2.86Å
1093T80Confident58.4Low69 Ų6967.2 Ų67.242%0.42339%0.394SS..EExtended strand (participates in β ladder)000-33.30000122.8R994 T1170 N1171R994-T1093 CarbonylContact C-O 3.47Å; T1093-T1170 WeakPolarHBondContact CG2-O 3.46Å; T1093-N1171 HydrophobicContact CG2-CB 3.95Å; T1093-N1171 PolarHBondContact OG1-OD1 2.68Å
1094L83Confident56.7Low11 Ų1171.2 Ų71.26%0.05841%0.409CS..EExtended strand (participates in β ladder)000-7955.2000124.8I974 V993 I1032 I1077 L1079 T1170 L1172I974-L1094 HydrophobicContact CB-CD2 3.96Å; I974-L1094 HydrophobicContact CD1-CD2 3.57Å; I974-L1094 HydrophobicContact CG1-CD2 4.34Å; I974-L1094 HydrophobicContact CG2-CD2 4.29Å; V993-L1094 HydrophobicContact CG1-CB 4.23Å; V993-L1094 HydrophobicContact CG1-CG 4.04Å; I1032-L1094 HydrophobicContact CD1-CD1 3.5Å; I1032-L1094 HydrophobicContact CD1-CG 3.98Å; I1077-L1094 HydrophobicContact CB-CD2 3.6Å; I1077-L1094 HydrophobicContact CB-CG 4.25Å; I1077-L1094 HydrophobicContact CD1-CB 3.78Å; I1077-L1094 HydrophobicContact CD1-CD2 4.25Å; I1077-L1094 HydrophobicContact CD1-CG 4.34Å; I1077-L1094 HydrophobicContact CG2-CB 4.19Å; I1077-L1094 HydrophobicContact CG2-CD2 3.34Å; I1077-L1094 HydrophobicContact CG2-CG 3.55Å; L1079-L1094 HydrophobicContact CD2-CD1 3.86Å; L1079-L1094 HydrophobicContact CD2-CD2 4.02Å; L1094-T1170 PolarHBondContact N-O 3.47Å; L1094-L1172 HydrophobicContact CD1-CD1 4.24Å
1095S81.8Confident55.5Low31 Ų3175.1 Ų75.122%0.21742%0.424CS..  000-166.70000126.1T992 V993 I1077 E1169T992-S1095 CarbonylContact O-C 3.32Å; V993-S1095 WeakPolarHBondContact CG2-O 3.47Å; I1077-S1095 VanDerWaalsContact CD1-O 3.22Å; I1077-S1095 WeakPolarHBondContact CD1-O 3.38Å; S1095-E1169 WeakPolarHBondContact CB-OE1 3.4Å; S1095-E1169 PolarHBondContact OG-OE1 2.92Å
1096C83.1Confident54.3Low11 Ų1175.2 Ų75.27%0.07442%0.422CS..  000-87.10000129.5L976 L991 N1167L976-C1096 HydrophobicContact CB-CB 4.21Å; L976-C1096 VanDerWaalsContact CB-SG 3.57Å; L976-C1096 HydrophobicContact CD1-CB 3.08Å; L976-C1096 VanDerWaalsContact CD1-SG 3.57Å; L976-C1096 HydrophobicContact CD2-CB 3.44Å; L976-C1096 VanDerWaalsContact CD2-CB 3.44Å; L976-C1096 HydrophobicContact CG-CB 3.69Å; L991-C1096 HydrophobicContact CD1-CB 4.16Å; L991-C1096 HydrophobicContact CD2-CB 4.31Å; L991-C1096 VanDerWaalsContact CD2-SG 3.54Å; L991-C1096 HydrophobicContact CG-CB 4.3Å; C1096-N1167 WeakPolarHBondContact CA-OD1 3.5Å; C1096-N1167 WeakPolarHBondContact CB-OD1 3.37Å; C1096-N1167 PolarHBondContact O-ND2 3.1Å; C1096-N1167 PolarHBondContact O-OD1 3.21Å; C1096-N1167 VanDerWaalsContact O-OD1 3.09Å
1097Y73.2Confident53.6Low139 Ų13973.9 Ų73.955%0.54542%0.423SS..  000-142.3-103.1000126.4N990 L991 N1167N990-Y1097 HydrophobicContact CB-CD1 4.48Å; N990-Y1097 CarbonylContact O-C 3.57Å; N990-Y1097 WeakPolarHBondContact O-CB 2.87Å; L991-Y1097 WeakPolarHBondContact CD1-O 3.37Å; Y1097-N1167 PolarHBondContact N-OD1 3.23Å
1098L67.1Low53.2Low6 Ų674.3 Ų74.33%0.03142%0.415CS..  000-137.8107.5000130.4I978 L989 I1067 I1073 F1100I978-L1098 HydrophobicContact CD1-CD1 3.69Å; I978-L1098 HydrophobicContact CD1-CD2 3.55Å; I978-L1098 HydrophobicContact CD1-CG 4.25Å; I978-L1098 HydrophobicContact CG1-CD1 4.22Å; I978-L1098 HydrophobicContact CG1-CD2 4.04Å; L989-L1098 HydrophobicContact CD2-CB 4.44Å; L989-L1098 HydrophobicContact CD2-CD1 3.58Å; L989-L1098 HydrophobicContact CD2-CD2 4.37Å; L989-L1098 HydrophobicContact CD2-CG 3.47Å; L989-L1098 VanDerWaalsContact CD2-CG 3.47Å; L989-L1098 HydrophobicContact CG-CG 3.93Å; I1067-L1098 HydrophobicContact CD1-CD1 4.41Å; I1067-L1098 HydrophobicContact CD1-CD2 3.66Å; I1067-L1098 HydrophobicContact CD1-CG 4.2Å; I1073-L1098 HydrophobicContact CG2-CD1 3.71Å; L1098-F1100 HydrophobicContact CD2-CD1 4.04Å; L1098-F1100 HydrophobicContact CD2-CE1 3.56Å
1099T67Low53.1Low53 Ų5375.7 Ų75.733%0.32541%0.406SS..  000310000125.1K988 L989 C1164 T1165K988-T1099 CarbonylContact C-O 3.55Å; K988-T1099 CarbonylContact O-C 3.23Å; K988-T1099 VanDerWaalsContact O-C 3.23Å; K988-T1099 WeakPolarHBondContact O-CA 3.36Å; K988-T1099 WeakPolarHBondContact O-CB 3.29Å; K988-T1099 PolarHBondContact O-OG1 2.99Å; L989-T1099 WeakPolarHBondContact CD1-O 3.28Å; T1099-C1164 WeakPolarHBondContact CA-O 3.49Å; T1099-T1165 HydrophobicContact CG2-CG2 3.58Å
1100F43.8Very low53.1Low6 Ų672.2 Ų72.23%0.02638%0.381CS..  00048.6-92000132.2N980 C986 T987 K988 I1067 L1098 Q1163 C1164N980-F1100 HydrophobicContact CB-CE2 3.76Å; N980-F1100 HydrophobicContact CB-CZ 4.05Å; N980-F1100 VanDerWaalsContact CG-CE2 3.49Å; C986-F1100 HydrophobicContact CB-CB 3.09Å; C986-F1100 HydrophobicContact CB-CD2 3.17Å; C986-F1100 HydrophobicContact CB-CE2 4.31Å; C986-F1100 HydrophobicContact CB-CG 3.54Å; T987-F1100 VanDerWaalsContact C-CA 3.47Å; T987-F1100 VanDerWaalsContact CA-C 3.47Å; T987-F1100 VanDerWaalsContact N-CB 3.26Å; T987-F1100 CarbonylContact O-C 3.51Å; T987-F1100 WeakPolarHBondContact O-CA 3Å; T987-F1100 PolarHBondContact O-N 3.22Å; T987-F1100 VanDerWaalsContact O-O 3.05Å; T987-F1100 PolarHBondContact OG1-O 3.02Å; K988-F1100 PolarHBondContact NZ-O 2.7Å; I1067-F1100 HydrophobicContact CB-CB 4.04Å; I1067-F1100 HydrophobicContact CB-CD1 3.86Å; I1067-F1100 HydrophobicContact CB-CD2 4.24Å; I1067-F1100 HydrophobicContact CB-CE1 4.2Å; I1067-F1100 HydrophobicContact CB-CG 3.89Å; I1067-F1100 HydrophobicContact CD1-CD1 3.37Å; I1067-F1100 HydrophobicContact CD1-CE1 3.4Å; I1067-F1100 VanDerWaalsContact CD1-CE1 3.4Å; I1067-F1100 HydrophobicContact CD1-CG 4.27Å; I1067-F1100 HydrophobicContact CD1-CZ 4.3Å; I1067-F1100 HydrophobicContact CG1-CD1 4.16Å; I1067-F1100 HydrophobicContact CG1-CE1 4.4Å; I1067-F1100 HydrophobicContact CG2-CD1 4.26Å; I1067-F1100 HydrophobicContact CG2-CD2 4.2Å; I1067-F1100 HydrophobicContact CG2-CE1 4.13Å; I1067-F1100 HydrophobicContact CG2-CE2 4.09Å; I1067-F1100 HydrophobicContact CG2-CG 4.31Å; I1067-F1100 HydrophobicContact CG2-CZ 4.03Å; L1098-F1100 HydrophobicContact CD2-CD1 4.04Å; L1098-F1100 HydrophobicContact CD2-CE1 3.56Å; F1100-Q1163 VanDerWaalsContact C-CB 3.44Å; F1100-Q1163 HydrophobicContact CB-CB 4.38Å; F1100-Q1163 VanDerWaalsContact CD2-C 3.46Å; F1100-Q1163 VanDerWaalsContact CD2-CA 3.5Å; F1100-Q1163 HydrophobicContact CD2-CB 4.35Å; F1100-Q1163 HydrophobicContact CG-CB 4.47Å; F1100-C1164 WeakPolarHBondContact CD1-O 2.94Å; F1100-C1164 HydrophobicContact CD2-CB 4.25Å; F1100-C1164 HydrophobicContact CE1-CB 4.03Å; F1100-C1164 WeakPolarHBondContact CE1-O 3.26Å; F1100-C1164 HydrophobicContact CE2-CB 3.46Å; F1100-C1164 VanDerWaalsContact CE2-CB 3.46Å; F1100-C1164 VanDerWaalsContact CG-N 3.33Å; F1100-C1164 HydrophobicContact CZ-CB 3.36Å
1101S40.9Very low53.5Low22 Ų2269.8 Ų69.815%0.15437%0.368CS..  00046.50000132.1D985 C986 T987 I1162 Q1163D985-S1101 VanDerWaalsContact C-C 3.44Å; D985-S1101 CarbonylContact C-O 3.4Å; D985-S1101 VanDerWaalsContact C-O 3.24Å; D985-S1101 CarbonylContact O-C 3.11Å; C986-S1101 VanDerWaalsContact C-C 3.41Å; C986-S1101 VanDerWaalsContact C-CA 3.47Å; C986-S1101 CarbonylContact C-O 3.59Å; C986-S1101 WeakPolarHBondContact CA-O 3.48Å; C986-S1101 PolarHBondContact N-O 3.32Å; T987-S1101 VanDerWaalsContact CG2-CA 3.44Å; T987-S1101 WeakPolarHBondContact CG2-O 3.22Å; T987-S1101 VanDerWaalsContact N-CA 3.27Å; T987-S1101 PolarHBondContact N-O 2.86Å; T987-S1101 WeakPolarHBondContact OG1-CA 3.33Å; T987-S1101 PolarHBondContact OG1-N 3.21Å; S1101-I1162 WeakPolarHBondContact CB-O 3.46Å; S1101-I1162 PolarHBondContact N-O 3.43Å; S1101-I1162 VanDerWaalsContact N-O 3.15Å; S1101-I1162 PolarHBondContact OG-O 3Å; S1101-I1162 VanDerWaalsContact OG-O 3.07Å; S1101-Q1163 PolarHBondContact OG-NE2 2.84Å; S1101-Q1163 VanDerWaalsContact OG-NE2 3.13Å
1102T36.8Very low53.4Low52 Ų5267 Ų6732%0.31935%0.353SS..  000-174.20000134.7D985 V1161D985-T1102 VanDerWaalsContact CB-CB 3.43Å; D985-T1102 VanDerWaalsContact CB-OG1 3.28Å; D985-T1102 WeakPolarHBondContact CB-OG1 2.86Å; D985-T1102 VanDerWaalsContact CG-OG1 3.31Å; D985-T1102 PolarHBondContact N-OG1 2.83Å; D985-T1102 WeakPolarHBondContact O-CB 3.49Å; D985-T1102 PolarHBondContact O-N 2.62Å; D985-T1102 PolarHBondContact OD2-OG1 2.91Å; T1102-V1161 HydrophobicContact CG2-CB 3.73Å; T1102-V1161 HydrophobicContact CG2-CG1 3.54Å; T1102-V1161 HydrophobicContact CG2-CG2 3.49Å; T1102-V1161 VanDerWaalsContact CG2-CG2 3.49Å
1103K24.1Very low53.4Low135 Ų13566.6 Ų66.659%0.58735%0.351SS*.  000-115.3-81.1-167.1175.10127.3D1156K1103-D1156 IonicContact NZ-OD1 3.67Å; K1103-D1156 PolarHBondContact NZ-OD1 3.12Å
1104I24.8Very low53.2Low155 Ų15563.3 Ų63.380%0.79533%0.331SS*.  00061167.7000126.8
1105L24.7Very low52.7Low140 Ų14063.1 Ų63.173%0.73333%0.33SS*.  000-139.272.9000130.8I1155L1105-I1155 HydrophobicContact CD1-CG2 4.48Å; L1105-I1155 HydrophobicContact CD2-CG2 3.46Å; L1105-I1155 VanDerWaalsContact CD2-CG2 3.46Å
1106P24.5Very low51.9Low125 Ų12562.2 Ų62.281%0.81232%0.323SS*.  00049.5-27.1000130
1107C28.2Very low50.8Low108 Ų10863.8 Ų63.873%0.7333%0.334SS*.  000-152.50000127.8
1108E30.1Very low49.7Very low159 Ų15962 Ų6274%0.74333%0.334SS*.  000-149.1167.5-111.700131.8N923N923-E1108 WeakPolarHBondContact CB-O 3.34Å; N923-E1108 VanDerWaalsContact CG-C 3.42Å; N923-E1108 PolarHBondContact O-N 3.08Å
1109Y43.3Very low48.6Very low126 Ų12665.5 Ų65.549%0.49436%0.359SS..  000-136.149.8000127.7N923 F925 I927N923-Y1109 WeakPolarHBondContact ND2-CA 3.08Å; N923-Y1109 PolarHBondContact ND2-N 3.02Å; N923-Y1109 VanDerWaalsContact ND2-N 3.14Å; N923-Y1109 PolarHBondContact ND2-O 3.03Å; F925-Y1109 HydrophobicContact CB-CD1 4.16Å; F925-Y1109 HydrophobicContact CB-CE1 3.73Å; F925-Y1109 HydrophobicContact CG-CE1 4.26Å; I927-Y1109 HydrophobicContact CD1-CE1 4.28Å
1110P51.4Low47.3Very low31 Ų3167.8 Ų67.820%0.20137%0.369CS..  00046.4-36.5000132.6S922 I927 Y1112 E1133S922-P1110 VanDerWaalsContact OG-CB 3.31Å; S922-P1110 WeakPolarHBondContact OG-CB 3.48Å; I927-P1110 HydrophobicContact CD1-CG 3.8Å; P1110-Y1112 HydrophobicContact CB-CE1 3.68Å; P1110-Y1112 HydrophobicContact CB-CE2 4.36Å; P1110-Y1112 WeakPolarHBondContact CB-OH 3.35Å; P1110-Y1112 HydrophobicContact CG-CE1 4.37Å; P1110-Y1112 HydrophobicContact CG-CE2 4.37Å; P1110-Y1112 WeakPolarHBondContact CG-OH 3.34Å; P1110-E1133 VanDerWaalsContact CA-CD 3.49Å; P1110-E1133 HydrophobicContact CB-CG 3.62Å; P1110-E1133 WeakPolarHBondContact CB-OE2 3.37Å
1111D65.4Low47.1Very low12 Ų1274.6 Ų74.66%0.06441%0.411CS..  0155.70-167.9-4.2000111.3C814 E1133 S1134 K1136C814-D1111 VanDerWaalsContact CB-OD1 3.31Å; C814-D1111 WeakPolarHBondContact CB-OD1 3.39Å; C814-D1111 PolarHBondContact N-OD1 3.2Å; C814-D1111 PolarHBondContact SG-OD1 2.91Å; D1111-E1133 CarbonylContact O-C 3.5Å; D1111-E1133 WeakPolarHBondContact O-CA 2.85Å; D1111-S1134 WeakPolarHBondContact CB-O 3.34Å; D1111-S1134 PolarHBondContact O-N 2.84Å; D1111-K1136 IonicContact OD2-NZ 2.77Å; D1111-K1136 PolarHBondContact OD2-NZ 3.37Å
1112Y69.9Low46.9Very low3 Ų377.8 Ų77.81%0.01243%0.43CS..EExtended strand (participates in β ladder)trans-136.3143.3-153.3-55-67.2000126.3W796 L812 I920 S922 I927 H929 P1110 V1130 E1133W796-Y1112 VanDerWaalsContact CH2-C 3.44Å; L812-Y1112 HydrophobicContact CD2-CD2 4.4Å; L812-Y1112 PolarHBondContact N-O 3.27Å; I920-Y1112 HydrophobicContact CG2-CE1 3.85Å; I920-Y1112 HydrophobicContact CG2-CE2 4.45Å; S922-Y1112 WeakPolarHBondContact CB-OH 3.11Å; I927-Y1112 HydrophobicContact CD1-CE2 4.43Å; I927-Y1112 WeakPolarHBondContact CD1-OH 3.29Å; H929-Y1112 AromaticContact NE2-CE2 3.49Å; H929-Y1112 WeakPolarHBondContact NE2-CE2 3.11Å; P1110-Y1112 HydrophobicContact CB-CE1 3.68Å; P1110-Y1112 HydrophobicContact CB-CE2 4.36Å; P1110-Y1112 WeakPolarHBondContact CB-OH 3.35Å; P1110-Y1112 HydrophobicContact CG-CE1 4.37Å; P1110-Y1112 HydrophobicContact CG-CE2 4.37Å; P1110-Y1112 WeakPolarHBondContact CG-OH 3.34Å; Y1112-V1130 HydrophobicContact CD1-CG1 3.84Å; Y1112-V1130 HydrophobicContact CD1-CG2 3.93Å; Y1112-V1130 HydrophobicContact CE1-CG1 4.3Å; Y1112-V1130 HydrophobicContact CE1-CG2 4.06Å; Y1112-E1133 HydrophobicContact CE1-CG 4.43Å
1113L78.6Confident47.1Very low4 Ų485.4 Ų85.42%0.02146%0.462CS..EExtended strand (participates in β ladder)trans-113.8132.2154.6169.969.6000112.1W796 F800 I811 I1131 H1132W796-L1113 HydrophobicContact CH2-CB 4.01Å; W796-L1113 HydrophobicContact CZ2-CB 3.6Å; F800-L1113 HydrophobicContact CB-CD2 3.7Å; F800-L1113 HydrophobicContact CD1-CD2 4.28Å; F800-L1113 HydrophobicContact CG-CD2 4Å; I811-L1113 HydrophobicContact CG1-CD1 4.03Å; L1113-I1131 HydrophobicContact CD2-CB 4.24Å; L1113-I1131 HydrophobicContact CD2-CD1 4.33Å; L1113-I1131 HydrophobicContact CD2-CG2 4.43Å; L1113-I1131 HydrophobicContact CG-CB 4.38Å; L1113-I1131 HydrophobicContact CG-CD1 4.36Å; L1113-I1131 PolarHBondContact O-N 3.13Å; L1113-H1132 HydrophobicContact CB-CB 4.2Å; L1113-H1132 HydrophobicContact CD2-CB 4.33Å; L1113-H1132 PolarHBondContact N-O 2.94Å
1114L75.5Confident47.8Very low0 Ų082 Ų820%045%0.453CS..EExtended strand (participates in β ladder)trans-121.1154.3-178.1-47.6179.7000113.4K809 V810 I920 F931 Y1128 N1129 V1130K809-L1114 WeakPolarHBondContact CA-O 3.33Å; V810-L1114 PolarHBondContact N-O 3.11Å; V810-L1114 PolarHBondContact O-N 3.02Å; I920-L1114 HydrophobicContact CD1-CD1 4.13Å; I920-L1114 HydrophobicContact CD1-CD2 3.88Å; F931-L1114 HydrophobicContact CE2-CD1 3.96Å; F931-L1114 HydrophobicContact CZ-CD1 3.5Å; F931-L1114 VanDerWaalsContact CZ-CD1 3.5Å; L1114-Y1128 HydrophobicContact CB-CD1 3.93Å; L1114-Y1128 HydrophobicContact CD1-CD1 3.82Å; L1114-Y1128 HydrophobicContact CD1-CG 4.28Å; L1114-N1129 WeakPolarHBondContact CA-O 3.45Å; L1114-V1130 HydrophobicContact CD2-CB 4.28Å; L1114-V1130 HydrophobicContact CD2-CG2 3.64Å
1115S71.7Confident48.7Very low8 Ų879 Ų796%0.05644%0.443CS..EExtended strand (participates in β ladder)trans-133.8148.9166.5-174.90000112.2E806 N1129E806-S1115 WeakPolarHBondContact OE1-CB 3.44Å; E806-S1115 PolarHBondContact OE1-OG 3.35Å; S1115-N1129 PolarHBondContact N-O 2.92Å; S1115-N1129 PolarHBondContact O-N 2.78Å; S1115-N1129 VanDerWaalsContact O-N 3.11Å
1116L66.1Low49.7Very low12 Ų1276.4 Ų76.46%0.06343%0.429CS..EExtended strand (participates in β ladder)trans-115.5115.4174.8-173.676.1000109.4K807 F808 L1126 V1127 Y1128K807-L1116 HydrophobicContact CB-CD2 4.36Å; K807-L1116 WeakPolarHBondContact CB-O 3.15Å; K807-L1116 HydrophobicContact CD-CD2 4.4Å; K807-L1116 PolarHBondContact N-O 3Å; F808-L1116 HydrophobicContact CD2-CB 4.46Å; F808-L1116 HydrophobicContact CE1-CD2 3.7Å; F808-L1116 HydrophobicContact CE2-CB 4.14Å; F808-L1116 HydrophobicContact CE2-CD2 4.07Å; F808-L1116 HydrophobicContact CZ-CB 4.34Å; F808-L1116 HydrophobicContact CZ-CD2 3.43Å; F808-L1116 VanDerWaalsContact CZ-CD2 3.43Å; F808-L1116 PolarHBondContact O-N 2.83Å; L1116-L1126 HydrophobicContact CD1-CB 4.4Å; L1116-L1126 HydrophobicContact CD1-CD2 4.07Å; L1116-L1126 HydrophobicContact CD2-CD2 3.96Å; L1116-V1127 WeakPolarHBondContact CD1-O 3.37Å; L1116-Y1128 HydrophobicContact CD1-CD2 4.28Å; L1116-Y1128 HydrophobicContact CD1-CE2 4.33Å
1117S59.3Low51Low44 Ų4474.4 Ų74.431%0.30841%0.414SS..  trans-94.1162.4173.245.60000111.6S1119S1117-S1119 PolarHBondContact O-N 2.84Å; S1117-S1119 VanDerWaalsContact O-N 3.13Å; S1117-S1119 PolarHBondContact OG-OG 3.03Å
1118D49.6Very low52.4Low100 Ų10070 Ų7054%0.53538%0.383SS..SBendtrans-74.66.4179.4-112.6-61.7000114.7K807 L1120K807-D1118 WeakPolarHBondContact CD-OD2 3.42Å; K807-D1118 VanDerWaalsContact CE-CG 3.44Å; K807-D1118 WeakPolarHBondContact CE-OD1 3.29Å; K807-D1118 WeakPolarHBondContact CE-OD2 3.34Å; K807-D1118 WeakPolarHBondContact CG-OD2 3.45Å; K807-D1118 IonicContact NZ-OD1 2.65Å; K807-D1118 PolarHBondContact NZ-OD1 3.29Å; K807-D1118 IonicContact NZ-OD2 3.61Å; D1118-L1120 PolarHBondContact O-N 3.36Å
1119S45.1Very low53.8Low80 Ų8066.7 Ų66.756%0.55937%0.37SS*.  trans-78.779.8-177.8550000112.5S1117S1117-S1119 PolarHBondContact O-N 2.84Å; S1117-S1119 VanDerWaalsContact O-N 3.13Å; S1117-S1119 PolarHBondContact OG-OG 3.03Å
1120L39.7Very low54.7Low101 Ų10163.2 Ų63.253%0.52936%0.362SS..  trans175.9117.9145.6-95.7156.4000110D1118 T1124 V1127D1118-L1120 PolarHBondContact O-N 3.36Å; L1120-T1124 HydrophobicContact CD2-CG2 4.5Å; L1120-V1127 HydrophobicContact CD1-CG2 4.33Å
1121T38.9Very low55.2Low150 Ų15065.8 Ų65.892%0.9237%0.373SS*.  trans-97.86.5-177.446.80000114.3
1122T38Very low55Low88 Ų8869.1 Ų69.154%0.5439%0.388SS..SBendtrans-104158.617746.70000111T1124T1122-T1124 PolarHBondContact O-N 3.42Å; T1122-T1124 PolarHBondContact O-OG1 2.89Å; T1122-T1124 VanDerWaalsContact OG1-CG2 3.29Å; T1122-T1124 WeakPolarHBondContact OG1-CG2 3.48Å
1123E39.5Very low54.1Low212 Ų21271.8 Ų71.899%0.99140%0.401SS*.SBendtrans-68.166.4176.2-63.8-168.8150.700112.1
1124T39Very low53Low65 Ų6572.9 Ų72.940%0.39941%0.409SS..  trans-112.6152.5-174.846.50000110.1L1120 T1122L1120-T1124 HydrophobicContact CD2-CG2 4.5Å; T1122-T1124 PolarHBondContact O-N 3.42Å; T1122-T1124 PolarHBondContact O-OG1 2.89Å; T1122-T1124 VanDerWaalsContact OG1-CG2 3.29Å; T1122-T1124 WeakPolarHBondContact OG1-CG2 3.48Å
1125P44.2Very low51.6Low91 Ų9176.7 Ų76.759%0.59143%0.431SS*.  trans-60.5142.3175.726.5-34.8000110.2V1127P1125-V1127 PolarHBondContact O-N 3.05Å
1126L46.7Very low50.3Low86 Ų8682.2 Ų82.245%0.4545%0.454SS..  trans-57.7106.4175.6-70.1161000109.7L918 L1116 Y1128L918-L1126 WeakPolarHBondContact CD2-O 3.33Å; L1116-L1126 HydrophobicContact CD1-CB 4.4Å; L1116-L1126 HydrophobicContact CD1-CD2 4.07Å; L1116-L1126 HydrophobicContact CD2-CD2 3.96Å; L1126-Y1128 HydrophobicContact CB-CD2 4.33Å; L1126-Y1128 HydrophobicContact CB-CE2 3.84Å; L1126-Y1128 WeakPolarHBondContact O-CD2 2.92Å
1127V51.2Low49Very low82 Ų8288.5 Ų88.550%0.49749%0.488SS..PPolyproline II helixtrans-84.7122.3175.7-1790000109L1116 L1120 P1125L1116-V1127 WeakPolarHBondContact CD1-O 3.37Å; L1120-V1127 HydrophobicContact CD1-CG2 4.33Å; P1125-V1127 PolarHBondContact O-N 3.05Å
1128Y56.3Low47.9Very low17 Ų1791.8 Ų91.87%0.06751%0.51CS..PPolyproline II helixtrans-103.2128.7176.5-75-119.7000109.1F808 V810 L918 L1114 L1116 L1126F808-Y1128 AromaticContact CE2-CE1 3.99Å; F808-Y1128 HydrophobicContact CE2-CE1 3.99Å; V810-Y1128 HydrophobicContact CB-CE1 4.5Å; V810-Y1128 HydrophobicContact CG2-CE1 3.83Å; L918-Y1128 HydrophobicContact CD1-CD2 3.26Å; L918-Y1128 HydrophobicContact CD1-CE2 3.4Å; L918-Y1128 HydrophobicContact CD1-CG 4.12Å; L918-Y1128 HydrophobicContact CD2-CD2 3.85Å; L918-Y1128 HydrophobicContact CD2-CG 4.35Å; L918-Y1128 HydrophobicContact CG-CD2 4.16Å; L1114-Y1128 HydrophobicContact CB-CD1 3.93Å; L1114-Y1128 HydrophobicContact CD1-CD1 3.82Å; L1114-Y1128 HydrophobicContact CD1-CG 4.28Å; L1116-Y1128 HydrophobicContact CD1-CD2 4.28Å; L1116-Y1128 HydrophobicContact CD1-CE2 4.33Å; L1126-Y1128 HydrophobicContact CB-CD2 4.33Å; L1126-Y1128 HydrophobicContact CB-CE2 3.84Å; L1126-Y1128 WeakPolarHBondContact O-CD2 2.92Å
1129N61.1Low47Very low88 Ų8893.7 Ų93.747%0.47152%0.52SS..EExtended strand (participates in β ladder)trans-86.6125175.1-67.3-37.8000109.8L1114 S1115 I1131L1114-N1129 WeakPolarHBondContact CA-O 3.45Å; S1115-N1129 PolarHBondContact N-O 2.92Å; S1115-N1129 PolarHBondContact O-N 2.78Å; S1115-N1129 VanDerWaalsContact O-N 3.11Å; N1129-I1131 PolarHBondContact O-N 3.19Å
1130V61.4Low46.2Very low53 Ų5396.6 Ų96.632%0.32153%0.53SS..EExtended strand (participates in β ladder)trans-67.9117.2165.9177.80000108I920 Y1112 L1114I920-V1130 HydrophobicContact CD1-CG2 4.31Å; I920-V1130 HydrophobicContact CG2-CG2 3.55Å; Y1112-V1130 HydrophobicContact CD1-CG1 3.84Å; Y1112-V1130 HydrophobicContact CD1-CG2 3.93Å; Y1112-V1130 HydrophobicContact CE1-CG1 4.3Å; Y1112-V1130 HydrophobicContact CE1-CG2 4.06Å; L1114-V1130 HydrophobicContact CD2-CB 4.28Å; L1114-V1130 HydrophobicContact CD2-CG2 3.64Å
1131I62.5Low45.6Very low86 Ų86100 Ų10044%0.44155%0.545SS..EExtended strand (participates in β ladder)trans-88.6-43.2174.5-60.2164.7000110.3K809 L1113 N1129K809-I1131 HydrophobicContact CD-CD1 4.15Å; L1113-I1131 HydrophobicContact CD2-CB 4.24Å; L1113-I1131 HydrophobicContact CD2-CD1 4.33Å; L1113-I1131 HydrophobicContact CD2-CG2 4.43Å; L1113-I1131 HydrophobicContact CG-CB 4.38Å; L1113-I1131 HydrophobicContact CG-CD1 4.36Å; L1113-I1131 PolarHBondContact O-N 3.13Å; N1129-I1131 PolarHBondContact O-N 3.19Å
1132H60.9Low44.9Very low82 Ų82102.2 Ų102.238%0.3854%0.542SS..EExtended strand (participates in β ladder)trans-142.7130.4-173.2-170.2-62000110L1113L1113-H1132 HydrophobicContact CB-CB 4.2Å; L1113-H1132 HydrophobicContact CD2-CB 4.33Å; L1113-H1132 PolarHBondContact N-O 2.94Å
1133E51.8Low44.3Very low59 Ų59106 Ų10628%0.27656%0.558SS.*EExtended strand (participates in β ladder)trans-106.9115.2175.5-170175.9105.500108.4S922 N923 P1110 D1111 Y1112 V1135S922-E1133 VanDerWaalsContact CB-OE2 3.29Å; S922-E1133 WeakPolarHBondContact CB-OE2 3.12Å; S922-E1133 PolarHBondContact OG-OE1 2.98Å; S922-E1133 PolarHBondContact OG-OE2 2.92Å; N923-E1133 PolarHBondContact ND2-OE1 3.45Å; P1110-E1133 VanDerWaalsContact CA-CD 3.49Å; P1110-E1133 HydrophobicContact CB-CG 3.62Å; P1110-E1133 WeakPolarHBondContact CB-OE2 3.37Å; D1111-E1133 CarbonylContact O-C 3.5Å; D1111-E1133 WeakPolarHBondContact O-CA 2.85Å; Y1112-E1133 HydrophobicContact CE1-CG 4.43Å; E1133-V1135 HydrophobicContact CG-CG2 4.37Å
1134S53.8Low43.6Very low27 Ų27100.6 Ų100.619%0.18954%0.543CS..  trans-105.372.8-177.160.90000111.2W796 D1111 K1136W796-S1134 WeakPolarHBondContact CH2-OG 3.31Å; W796-S1134 WeakPolarHBondContact CZ3-OG 3.29Å; D1111-S1134 WeakPolarHBondContact CB-O 3.34Å; D1111-S1134 PolarHBondContact O-N 2.84Å; S1134-K1136 PolarHBondContact O-N 3.28Å; S1134-K1136 VanDerWaalsContact O-N 3.15Å
1135V47.1Very low43Very low79 Ų79105.3 Ų105.348%0.47957%0.566SS.*  trans-50.6120.8178.5-1790000110.7E1133 L1137E1133-V1135 HydrophobicContact CG-CG2 4.37Å; V1135-L1137 VanDerWaalsContact C-N 3.26Å; V1135-L1137 PolarHBondContact O-N 2.96Å
1136K45.1Very low42.2Very low124 Ų124107.4 Ų107.454%0.53958%0.577SS.*  trans-70.984.6168.9-74.3179.8177.4107.10108.9C814 D1111 S1134 S1138C814-K1136 PolarHBondContact O-NZ 3.11Å; D1111-K1136 IonicContact OD2-NZ 2.77Å; D1111-K1136 PolarHBondContact OD2-NZ 3.37Å; S1134-K1136 PolarHBondContact O-N 3.28Å; S1134-K1136 VanDerWaalsContact O-N 3.15Å; K1136-S1138 PolarHBondContact O-N 2.85Å
1137L37Very low41.2Very low145 Ų145109.8 Ų109.876%0.75959%0.59SS**  trans-56.997.3174.4-99.3158.9000110.5V1135 N1139V1135-L1137 VanDerWaalsContact C-N 3.26Å; V1135-L1137 PolarHBondContact O-N 2.96Å; L1137-N1139 PolarHBondContact O-N 2.84Å; L1137-N1139 VanDerWaalsContact O-N 3.07Å
1138S36.8Very low40.1Very low112 Ų112113.2 Ų113.278%0.78361%0.606SS**  trans-67.4105.1172.157.20000108.8K1136K1136-S1138 PolarHBondContact O-N 2.85Å
1139N30.1Very low38.6Very low140 Ų140119.9 Ų119.975%0.74964%0.637SS**  trans-55.4139.8-171.8-75.3-52000113.6L1137L1137-N1139 PolarHBondContact O-N 2.84Å; L1137-N1139 VanDerWaalsContact O-N 3.07Å
1140N28.8Very low36.8Very low141 Ų141122.4 Ų122.475%0.75465%0.65SS**  trans70.376.6160.3-55.1-46.3000118.6
1141M26.4Very low35.2Very low173 Ų173125.1 Ų125.185%0.85267%0.667SS**  trans-12088.5148.6-88.7-73172.200110.6L1143M1141-L1143 PolarHBondContact O-N 2.8Å; M1141-L1143 VanDerWaalsContact O-N 3.12Å
1142K25.6Very low33.4Very low197 Ų197127.1 Ų127.186%0.85767%0.674SS**  trans-76.787.9168.6-75.8-176.1176.9178.70109.5S1144K1142-S1144 PolarHBondContact O-N 3.04Å; K1142-S1144 VanDerWaalsContact O-N 3.12Å
1143L25.9Very low31.6Very low167 Ų167127.7 Ų127.787%0.87468%0.68SS**  trans-77.196170.1-134.677.4000109.7M1141M1141-L1143 PolarHBondContact O-N 2.8Å; M1141-L1143 VanDerWaalsContact O-N 3.12Å
1144S24.7Very low30.7Very low98 Ų98130.5 Ų130.569%0.68570%0.701SS**  trans-81.2129.1179.955.30000112.2K1142K1142-S1144 PolarHBondContact O-N 3.04Å; K1142-S1144 VanDerWaalsContact O-N 3.12Å
1145N25.7Very low29.7Very low164 Ų164133.6 Ų133.688%0.87771%0.714SS**  trans22.797.4161.1-67.78.5000117.6
1146V27Very low28.9Very low135 Ų135132.8 Ų132.882%0.81871%0.707SS**  trans-135.394.9150.3-175.30000109.7N1148V1146-N1148 PolarHBondContact O-N 2.94Å
1147D26.6Very low28.4Very low136 Ų136133.3 Ų133.373%0.72771%0.712SS**  trans18.878153.6-54.3-39.4000119.4H1149D1147-H1149 PolarHBondContact O-N 2.81Å
1148N26.9Very low28.2Very low155 Ų155134.2 Ų134.283%0.82972%0.717SS**SBend38-0.8129.2-73.4-1.4000123.9V1146V1146-N1148 PolarHBondContact O-N 2.94Å
1149H25.2Very low28.3Very low157 Ų157132.9 Ų132.973%0.72771%0.713SS**SBendtrans-124.10.5-161.7-79-45.5000117.6D1147D1147-H1149 PolarHBondContact O-N 2.81Å
1150L24Very low28.5Very low141 Ų141133.9 Ų133.974%0.73872%0.715SS**SBendtrans-110.9-31.9179.3-153.367.8000115.7N1153L1150-N1153 PolarHBondContact O-N 2.67Å
1151V27Very low29.6Very low110 Ų110130.9 Ų130.967%0.66770%0.702SS**SBendtrans-69.5-43.1-174.8-174.40000111.9N1153 V1154 I1155V1151-N1153 PolarHBondContact O-N 3.32Å; V1151-V1154 PolarHBondContact O-N 2.71Å; V1151-I1155 HydrophobicContact CG1-CD1 3.82Å; V1151-I1155 PolarHBondContact O-N 2.82Å
1152Q24.8Very low30.1Very low128 Ų128126.8 Ų126.860%0.59868%0.683SS**Hα-helixtrans-66.5-27.2179.9-139178.8-44.500112.4V1154 I1155 D1156Q1152-V1154 PolarHBondContact O-N 3.17Å; Q1152-I1155 PolarHBondContact O-N 3.45Å; Q1152-I1155 VanDerWaalsContact O-N 3.14Å; Q1152-D1156 WeakPolarHBondContact CG-OD2 3.47Å; Q1152-D1156 PolarHBondContact NE2-OD2 3.04Å; Q1152-D1156 WeakPolarHBondContact O-CB 3.5Å; Q1152-D1156 PolarHBondContact O-N 2.74Å
1153N23.6Very low30.9Very low94 Ų94123.4 Ų123.450%0.50367%0.67SS.*Hα-helixtrans-76.85.9172.6-89.6-46.8000114.6L1150 V1151 Q1157L1150-N1153 PolarHBondContact O-N 2.67Å; V1151-N1153 PolarHBondContact O-N 3.32Å; N1153-Q1157 WeakPolarHBondContact O-CG 3.16Å; N1153-Q1157 PolarHBondContact O-NE2 2.75Å; N1153-Q1157 VanDerWaalsContact O-NE2 3.11Å
1154V31.9Very low31.9Very low118 Ų118119 Ų11972%0.71565%0.652SS**Hα-helixtrans-112.5-16.3163.9-1760000111.3V1151 Q1152V1151-V1154 PolarHBondContact O-N 2.71Å; Q1152-V1154 PolarHBondContact O-N 3.17Å
1155I33.3Very low32.7Very low91 Ų91117.8 Ų117.847%0.46764%0.641SS.*Hα-helixtrans-95.2-41.3179.7-64.8177.5000112.4L1105 V1151 Q1152L1105-I1155 HydrophobicContact CD1-CG2 4.48Å; L1105-I1155 HydrophobicContact CD2-CG2 3.46Å; L1105-I1155 VanDerWaalsContact CD2-CG2 3.46Å; V1151-I1155 HydrophobicContact CG1-CD1 3.82Å; V1151-I1155 PolarHBondContact O-N 2.82Å; Q1152-I1155 PolarHBondContact O-N 3.45Å; Q1152-I1155 VanDerWaalsContact O-N 3.14Å
1156D29.5Very low34.3Very low63 Ų63115.8 Ų115.834%0.33763%0.626SS.*SBendtrans-87.9-2.1178.6-87.4-43.5000113.7K1103 Q1152 N1158K1103-D1156 IonicContact NZ-OD1 3.67Å; K1103-D1156 PolarHBondContact NZ-OD1 3.12Å; Q1152-D1156 WeakPolarHBondContact CG-OD2 3.47Å; Q1152-D1156 PolarHBondContact NE2-OD2 3.04Å; Q1152-D1156 WeakPolarHBondContact O-CB 3.5Å; Q1152-D1156 PolarHBondContact O-N 2.74Å; D1156-N1158 PolarHBondContact O-N 3.47Å
1157Q35Very low35.3Very low135 Ų135112.8 Ų112.863%0.63161%0.605SS**SBendtrans-74.455.5171.2-73.8-170.77.400111.7N1153N1153-Q1157 WeakPolarHBondContact O-CG 3.16Å; N1153-Q1157 PolarHBondContact O-NE2 2.75Å; N1153-Q1157 VanDerWaalsContact O-NE2 3.11Å
1158N34.3Very low37.7Very low163 Ų163111.3 Ų111.387%0.87260%0.597SS**SBendtrans173.479.4156.1-84.9-29.1000117.4D1156D1156-N1158 PolarHBondContact O-N 3.47Å
1159A37.4Very low40Very low84 Ų84109.8 Ų109.869%0.69458%0.584SS**  trans-164.30170.800000120.6
1160M34.9Very low42.5Very low161 Ų161103.1 Ų103.179%0.79356%0.555SS**  000-135-172.6-174.800123.2S984S984-M1160 WeakPolarHBondContact CA-O 3.33Å; S984-M1160 VanDerWaalsContact CB-C 3.43Å; S984-M1160 VanDerWaalsContact CB-O 3.28Å; S984-M1160 WeakPolarHBondContact CB-O 3Å
1161V51.8Low45.2Very low79 Ų7999 Ų9948%0.47953%0.533SS..  000-162.50000123.4S984 T1102S984-V1161 VanDerWaalsContact CB-CA 3.41Å; T1102-V1161 HydrophobicContact CG2-CB 3.73Å; T1102-V1161 HydrophobicContact CG2-CG1 3.54Å; T1102-V1161 HydrophobicContact CG2-CG2 3.49Å; T1102-V1161 VanDerWaalsContact CG2-CG2 3.49Å
1162I37.7Very low47.7Very low87 Ų8793.8 Ų93.845%0.44650%0.502SS..  000-11.1-172.1000122.2T982 S984 C986 S1101T982-I1162 HydrophobicContact CG2-CB 4.22Å; T982-I1162 HydrophobicContact CG2-CD1 3.34Å; T982-I1162 HydrophobicContact CG2-CG1 3.69Å; S984-I1162 PolarHBondContact O-N 3.31Å; S984-I1162 WeakPolarHBondContact OG-CG1 3.3Å; C986-I1162 WeakPolarHBondContact CB-O 3.29Å; C986-I1162 PolarHBondContact SG-O 3Å; S1101-I1162 WeakPolarHBondContact CB-O 3.46Å; S1101-I1162 PolarHBondContact N-O 3.43Å; S1101-I1162 VanDerWaalsContact N-O 3.15Å; S1101-I1162 PolarHBondContact OG-O 3Å; S1101-I1162 VanDerWaalsContact OG-O 3.07Å
1163Q42.4Very low50.3Low125 Ų12589.8 Ų89.858%0.58449%0.486SS*.  0158.4060.2-164.4-99.500123.4F1100 S1101F1100-Q1163 VanDerWaalsContact C-CB 3.44Å; F1100-Q1163 HydrophobicContact CB-CB 4.38Å; F1100-Q1163 VanDerWaalsContact CD2-C 3.46Å; F1100-Q1163 VanDerWaalsContact CD2-CA 3.5Å; F1100-Q1163 HydrophobicContact CD2-CB 4.35Å; F1100-Q1163 HydrophobicContact CG-CB 4.47Å; S1101-Q1163 PolarHBondContact OG-NE2 2.84Å; S1101-Q1163 VanDerWaalsContact OG-NE2 3.13Å
1164C46.7Very low52.9Low75 Ų7586.2 Ų86.251%0.50747%0.467SS..  trans-165.6-162.2175.6-146.70000120.6T1099 F1100T1099-C1164 WeakPolarHBondContact CA-O 3.49Å; F1100-C1164 WeakPolarHBondContact CD1-O 2.94Å; F1100-C1164 HydrophobicContact CD2-CB 4.25Å; F1100-C1164 HydrophobicContact CE1-CB 4.03Å; F1100-C1164 WeakPolarHBondContact CE1-O 3.26Å; F1100-C1164 HydrophobicContact CE2-CB 3.46Å; F1100-C1164 VanDerWaalsContact CE2-CB 3.46Å; F1100-C1164 VanDerWaalsContact CG-N 3.33Å; F1100-C1164 HydrophobicContact CZ-CB 3.36Å
1165T41.2Very low55.1Low73 Ų7384.5 Ų84.545%0.44845%0.453SS..  trans-158.60-171.553.70000121.8T1099T1099-T1165 HydrophobicContact CG2-CG2 3.58Å
1166Q60Low57.3Low121 Ų12183.5 Ų83.557%0.56545%0.454SS*.  0178.60-14052.6-129.100120.8I978I978-Q1166 HydrophobicContact CB-CB 4.14Å; I978-Q1166 HydrophobicContact CG1-CB 3.61Å; I978-Q1166 HydrophobicContact CG2-CB 3.43Å; I978-Q1166 VanDerWaalsContact CG2-CB 3.43Å; I978-Q1166 HydrophobicContact CG2-CG 3.63Å
1167N48.1Very low59.8Low72 Ų7280.9 Ų80.939%0.38544%0.441SS..  trans-170.1161.3177-156.613000121.2C1096 Y1097C1096-N1167 WeakPolarHBondContact CA-OD1 3.5Å; C1096-N1167 WeakPolarHBondContact CB-OD1 3.37Å; C1096-N1167 PolarHBondContact O-ND2 3.1Å; C1096-N1167 PolarHBondContact O-OD1 3.21Å; C1096-N1167 VanDerWaalsContact O-OD1 3.09Å; Y1097-N1167 PolarHBondContact N-OD1 3.23Å
1168I76Confident62.3Low106 Ų10675.4 Ų75.454%0.54442%0.415SS..  trans-175.9-175.5170.1-163.2152.2000118M960 L976M960-I1168 HydrophobicContact CE-CG2 3.55Å; L976-I1168 HydrophobicContact CD1-CB 4.34Å; L976-I1168 HydrophobicContact CD1-CG2 3.76Å; L976-I1168 WeakPolarHBondContact CD1-O 3.45Å
1169E74.4Confident64.9Low123 Ų12373.5 Ų73.558%0.57540%0.401SS*.  trans-152.8167.9-167.3-49.3-171.1113.500118.9S1095S1095-E1169 WeakPolarHBondContact CB-OE1 3.4Å; S1095-E1169 PolarHBondContact OG-OE1 2.92Å
1170T79.3Confident67.4Low16 Ų1671.3 Ų71.310%0.09838%0.377CS..EExtended strand (participates in β ladder)trans-172.4-174.1176.6-177.90000121.4E962 N963 I974 T1093 L1094E962-T1170 VanDerWaalsContact C-OG1 3.32Å; E962-T1170 VanDerWaalsContact CA-OG1 3.32Å; E962-T1170 WeakPolarHBondContact CA-OG1 3.46Å; N963-T1170 PolarHBondContact N-OG1 2.86Å; N963-T1170 VanDerWaalsContact N-OG1 3.1Å; I974-T1170 HydrophobicContact CB-CG2 4.1Å; I974-T1170 HydrophobicContact CD1-CG2 3.82Å; I974-T1170 HydrophobicContact CG1-CG2 3.69Å; I974-T1170 HydrophobicContact CG2-CG2 3.25Å; T1093-T1170 WeakPolarHBondContact CG2-O 3.46Å; L1094-T1170 PolarHBondContact N-O 3.47Å
1171N79.2Confident70Confident55 Ų5568.5 Ų68.529%0.29437%0.365SS..EExtended strand (participates in β ladder)trans-148.3159.7-158-17765.3000119.7N963 V964 L1092 T1093N963-N1171 PolarHBondContact OD1-ND2 3.02Å; V964-N1171 WeakPolarHBondContact CA-O 3.35Å; V964-N1171 WeakPolarHBondContact CB-O 2.79Å; V964-N1171 WeakPolarHBondContact CG2-O 3.45Å; V964-N1171 PolarHBondContact N-O 2.75Å; L1092-N1171 PolarHBondContact O-OD1 2.9Å; T1093-N1171 HydrophobicContact CG2-CB 3.95Å; T1093-N1171 PolarHBondContact OG1-OD1 2.68Å
1172L80.7Confident71.9Confident0 Ų069.8 Ų69.80%036%0.362CS..EExtended strand (participates in β ladder)trans-148.3165.4-169.7-4193.9000125V964 I966 I974 L1079 N1091 L1092 L1094V964-L1172 HydrophobicContact CB-CB 4.08Å; V964-L1172 HydrophobicContact CB-CD2 4.05Å; V964-L1172 HydrophobicContact CB-CG 3.84Å; V964-L1172 HydrophobicContact CG1-CD2 3.87Å; V964-L1172 HydrophobicContact CG1-CG 4.23Å; V964-L1172 HydrophobicContact CG2-CG 4.38Å; V964-L1172 CarbonylContact O-C 3.5Å; V964-L1172 WeakPolarHBondContact O-CA 3.31Å; I966-L1172 HydrophobicContact CD1-CB 3.9Å; I966-L1172 HydrophobicContact CD1-CD2 4.05Å; I966-L1172 HydrophobicContact CG1-CB 4.07Å; I966-L1172 HydrophobicContact CG1-CD2 3.95Å; I974-L1172 HydrophobicContact CD1-CD1 3.8Å; I974-L1172 HydrophobicContact CD1-CD2 3.9Å; I974-L1172 HydrophobicContact CD1-CG 3.98Å; L1079-L1172 HydrophobicContact CD1-CD2 4.17Å; L1079-L1172 HydrophobicContact CD2-CD1 3.5Å; L1079-L1172 HydrophobicContact CD2-CD2 3.82Å; L1079-L1172 HydrophobicContact CD2-CG 4.3Å; L1079-L1172 HydrophobicContact CG-CD2 4.4Å; N1091-L1172 PolarHBondContact ND2-O 2.99Å; L1092-L1172 HydrophobicContact CB-CD1 4.1Å; L1092-L1172 PolarHBondContact N-O 2.95Å; L1092-L1172 PolarHBondContact O-N 2.86Å; L1094-L1172 HydrophobicContact CD1-CD1 4.24Å
1173T79.6Confident74.5Confident44 Ų4472.2 Ų72.227%0.2737%0.37SS..  trans-136.7-158.8177.391.30000118.8V964 C965 I966 N1091V964-T1173 WeakPolarHBondContact O-CG2 3.36Å; V964-T1173 PolarHBondContact O-N 3.07Å; C965-T1173 WeakPolarHBondContact CA-OG1 3.45Å; C965-T1173 VanDerWaalsContact CB-OG1 3.27Å; C965-T1173 WeakPolarHBondContact CB-OG1 3.3Å; C965-T1173 PolarHBondContact SG-OG1 3.42Å; I966-T1173 WeakPolarHBondContact CA-O 3.46Å; I966-T1173 WeakPolarHBondContact CB-O 3.16Å; I966-T1173 WeakPolarHBondContact CD1-O 3.1Å; I966-T1173 WeakPolarHBondContact CG1-O 3.39Å; I966-T1173 PolarHBondContact N-O 3.1Å; N1091-T1173 WeakPolarHBondContact ND2-CG2 3.46Å
1174I77.6Confident76.9Confident19 Ų1967.7 Ų67.710%0.09735%0.349CS..  trans-156.6150.8-175.8-35.5172.9000119.8I966 C1081 N1090I966-I1174 HydrophobicContact CB-CG1 4.37Å; I966-I1174 CarbonylContact O-C 3.49Å; I966-I1174 VanDerWaalsContact O-C 3.22Å; I966-I1174 WeakPolarHBondContact O-CA 3.35Å; C1081-I1174 HydrophobicContact CB-CD1 4.03Å; N1090-I1174 HydrophobicContact CB-CB 4.39Å; N1090-I1174 HydrophobicContact CB-CD1 3.86Å; N1090-I1174 HydrophobicContact CB-CG1 3.89Å; N1090-I1174 PolarHBondContact ND2-N 2.82Å; N1090-I1174 PolarHBondContact ND2-O 2.86Å
1175L78.1Confident79Confident82 Ų8265.2 Ų65.243%0.42933%0.331SS..  trans-154.3-173.4174-80.5-174.4000120I966 L967 A968 W1213I966-L1175 PolarHBondContact O-N 3.05Å; L967-L1175 CarbonylContact C-O 2.91Å; L967-L1175 WeakPolarHBondContact CA-O 3.48Å; L967-L1175 HydrophobicContact CD2-CB 3.82Å; A968-L1175 WeakPolarHBondContact CB-O 3.49Å; A968-L1175 PolarHBondContact N-O 3.19Å; L1175-W1213 HydrophobicContact CB-CZ3 4.18Å; L1175-W1213 HydrophobicContact CD1-CH2 3.74Å; L1175-W1213 HydrophobicContact CD1-CZ3 3.91Å; L1175-W1213 HydrophobicContact CG-CH2 4.24Å; L1175-W1213 HydrophobicContact CG-CZ3 4.37Å
1176S79.9Confident81.2Confident70 Ų7062 Ų6249%0.4931%0.312SS..  trans-113.5148.4177.4179.80000115.1T1210S1176-T1210 PolarHBondContact O-OG1 3.04Å
1177P81.5Confident82.3Confident8 Ų859.6 Ų59.65%0.05230%0.302CS..  trans-101-39.4-160.338.8-39.5000121N1209 T1210 L1215 W1277P1177-N1209 PolarHBondContact O-OD1 2.89Å; P1177-T1210 PolarHBondContact O-N 3.47Å; P1177-T1210 PolarHBondContact O-OG1 3.07Å; P1177-L1215 HydrophobicContact CB-CD1 3.68Å; P1177-W1277 HydrophobicContact CB-CD2 4.48Å; P1177-W1277 HydrophobicContact CB-CH2 4.18Å; P1177-W1277 HydrophobicContact CB-CZ2 3.86Å; P1177-W1277 HydrophobicContact CG-CH2 4.37Å; P1177-W1277 HydrophobicContact CG-CZ2 3.63Å
1178F88.5Confident83.8Confident21 Ų2158.3 Ų58.39%0.09230%0.297CS..EExtended strand (participates in β ladder)trans-145.9158.7-164.9-58.8-68.2000117.9L1207 T1208 N1209 T1210 L1215 I1217 V1275 W1277 F1297F1178-L1207 HydrophobicContact CB-CD1 3.96Å; F1178-L1207 HydrophobicContact CB-CD2 4.29Å; F1178-L1207 HydrophobicContact CB-CG 4.06Å; F1178-L1207 HydrophobicContact CD1-CD2 3.82Å; F1178-L1207 HydrophobicContact CD1-CG 4.09Å; F1178-L1207 HydrophobicContact CD2-CD2 4.31Å; F1178-L1207 HydrophobicContact CE1-CD2 4.2Å; F1178-L1207 HydrophobicContact CG-CD1 4.46Å; F1178-L1207 HydrophobicContact CG-CD2 3.9Å; F1178-L1207 HydrophobicContact CG-CG 4.17Å; F1178-T1208 VanDerWaalsContact CA-O 3.24Å; F1178-T1208 WeakPolarHBondContact CA-O 3.28Å; F1178-N1209 HydrophobicContact CD1-CB 4.43Å; F1178-N1209 HydrophobicContact CE1-CB 4.29Å; F1178-T1210 PolarHBondContact N-OG1 3.18Å; F1178-L1215 HydrophobicContact CE1-CB 4.31Å; F1178-L1215 HydrophobicContact CE1-CD1 3.85Å; F1178-L1215 HydrophobicContact CE2-CD1 4.27Å; F1178-L1215 HydrophobicContact CZ-CB 3.99Å; F1178-L1215 HydrophobicContact CZ-CD1 3.67Å; F1178-L1215 HydrophobicContact CZ-CG 4.48Å; F1178-I1217 HydrophobicContact CE1-CD1 3.86Å; F1178-I1217 HydrophobicContact CE1-CG1 4.15Å; F1178-I1217 HydrophobicContact CE2-CD1 4.41Å; F1178-I1217 HydrophobicContact CE2-CG1 4.32Å; F1178-I1217 HydrophobicContact CZ-CD1 3.75Å; F1178-I1217 HydrophobicContact CZ-CG1 3.61Å; F1178-V1275 HydrophobicContact CD2-CG1 4.1Å; F1178-V1275 HydrophobicContact CE2-CG1 3.82Å; F1178-V1275 HydrophobicContact CZ-CG1 4.49Å; F1178-W1277 HydrophobicContact CE2-CB 3.98Å; F1178-W1277 AromaticContact CE2-CD1 3.66Å; F1178-W1277 AromaticContact CE2-CD2 3.98Å; F1178-W1277 HydrophobicContact CE2-CD2 3.98Å; F1178-W1277 AromaticContact CE2-CG 3.6Å; F1178-W1277 HydrophobicContact CE2-CG 3.6Å; F1178-W1277 HydrophobicContact CZ-CB 4.26Å; F1178-W1277 HydrophobicContact CZ-CG 4.28Å; F1178-F1297 HydrophobicContact CB-CZ 4.48Å
1179E88.1Confident84Confident122 Ų12260.2 Ų60.257%0.5730%0.304SS*.EExtended strand (participates in β ladder)trans-130.3150.9172.3178-177-130.700111.4L1207 T1208 T1210E1179-L1207 CarbonylContact O-C 3.49Å; E1179-L1207 VanDerWaalsContact O-CA 3.27Å; E1179-L1207 WeakPolarHBondContact O-CA 3.23Å; E1179-L1207 WeakPolarHBondContact O-CD1 3.19Å; E1179-T1208 PolarHBondContact N-O 2.84Å; E1179-T1208 PolarHBondContact O-N 2.85Å; E1179-T1210 HydrophobicContact CB-CG2 4.37Å
1180L89.5Confident84.5Confident39 Ų3959.3 Ų59.320%0.20430%0.299CS..EExtended strand (participates in β ladder)trans-134138.3-170.5-177.275000115.4F1205 K1206 L1207 I1273 F1297L1180-F1205 HydrophobicContact CD1-CB 4.23Å; L1180-F1205 HydrophobicContact CD1-CD2 3.88Å; L1180-F1205 HydrophobicContact CD1-CG 4.33Å; L1180-K1206 CarbonylContact C-O 3.54Å; L1180-K1206 WeakPolarHBondContact CA-O 3.45Å; L1180-L1207 HydrophobicContact CB-CD1 4.02Å; L1180-L1207 HydrophobicContact CD1-CB 4.34Å; L1180-L1207 HydrophobicContact CD1-CD1 3.82Å; L1180-I1273 HydrophobicContact CD2-CD1 4.25Å; L1180-F1297 HydrophobicContact CB-CD1 4Å; L1180-F1297 HydrophobicContact CB-CD2 4.49Å; L1180-F1297 HydrophobicContact CB-CE1 3.98Å; L1180-F1297 HydrophobicContact CB-CE2 4.47Å; L1180-F1297 HydrophobicContact CB-CG 4.26Å; L1180-F1297 HydrophobicContact CB-CZ 4.22Å; L1180-F1297 HydrophobicContact CD2-CB 3.41Å; L1180-F1297 VanDerWaalsContact CD2-CB 3.41Å; L1180-F1297 HydrophobicContact CD2-CD1 3.99Å; L1180-F1297 HydrophobicContact CD2-CD2 3.91Å; L1180-F1297 HydrophobicContact CD2-CG 3.53Å; L1180-F1297 HydrophobicContact CG-CG 4.5Å
1181D90.2Very high85Confident101 Ų10163.8 Ų63.854%0.5433%0.329SS..EExtended strand (participates in β ladder)trans-130.3155176.9-106.6-32.5000111.7F1205 K1206D1181-F1205 CarbonylContact O-C 3.56Å; D1181-F1205 WeakPolarHBondContact O-CA 3.33Å; D1181-F1205 WeakPolarHBondContact O-CB 3.49Å; D1181-K1206 HydrophobicContact CB-CB 3.99Å; D1181-K1206 HydrophobicContact CB-CD 4.39Å; D1181-K1206 PolarHBondContact N-O 2.82Å; D1181-K1206 PolarHBondContact O-N 3.12Å
1182Y91.4Very high85.4Confident107 Ų10762.6 Ų62.642%0.4232%0.322SS..EExtended strand (participates in β ladder)trans-151.2163.8175.671-93.6000117.4L1204 L1299 P1300Y1182-L1204 CarbonylContact C-O 3.56Å; Y1182-L1204 WeakPolarHBondContact CA-O 3.35Å; Y1182-L1299 HydrophobicContact CD1-CD2 4.42Å; Y1182-P1300 HydrophobicContact CE2-CG 3.59Å; Y1182-P1300 WeakPolarHBondContact OH-CG 3.37Å
1183K92Very high85.7Confident138 Ų13871.6 Ų71.660%0.636%0.361SS*.EExtended strand (participates in β ladder)trans-149.2158.9-179.5-64.9178-175.4167.30112.4L1204K1183-L1204 HydrophobicContact CB-CB 4.47Å; K1183-L1204 PolarHBondContact N-O 2.79Å; K1183-L1204 PolarHBondContact O-N 3.5Å
1184L92.3Very high86.2Confident29 Ų2970.5 Ų70.515%0.15236%0.355CS..EExtended strand (participates in β ladder)trans-127.2125.4178.1-74.9158.1000111.7P1191 I1192 F1201 L1202 L1203 L1270 I1302L1184-P1191 WeakPolarHBondContact O-CA 3.49Å; L1184-I1192 PolarHBondContact O-N 2.68Å; L1184-F1201 HydrophobicContact CD2-CD2 4.02Å; L1184-F1201 HydrophobicContact CD2-CE2 3.89Å; L1184-L1202 WeakPolarHBondContact CA-O 3.08Å; L1184-L1203 HydrophobicContact CD2-CB 4.31Å; L1184-L1203 HydrophobicContact CD2-CD1 4.03Å; L1184-L1203 HydrophobicContact CG-CD1 4.44Å; L1184-L1270 HydrophobicContact CD1-CD1 4.29Å; L1184-L1270 HydrophobicContact CD2-CD1 4.08Å; L1184-I1302 HydrophobicContact CD1-CD1 3.47Å; L1184-I1302 VanDerWaalsContact CD1-CD1 3.47Å; L1184-I1302 HydrophobicContact CD1-CG1 4.01Å; L1184-I1302 HydrophobicContact CD2-CD1 4.25Å
1185L91.5Very high86.7Confident23 Ų2369.7 Ų69.712%0.1235%0.351CS..EExtended strand (participates in β ladder)trans-134.5162.4-170.5-47.2172.8000112.2H1190 P1191 L1202 L1204L1185-H1190 CarbonylContact C-O 3.5Å; L1185-H1190 WeakPolarHBondContact CA-O 3.43Å; L1185-P1191 HydrophobicContact CD2-CB 4.43Å; L1185-P1191 HydrophobicContact CD2-CG 4.14Å; L1185-L1202 HydrophobicContact CB-CB 4.24Å; L1185-L1202 PolarHBondContact N-O 3.43Å; L1185-L1202 PolarHBondContact O-N 2.85Å; L1185-L1204 HydrophobicContact CD1-CD2 4.08Å
1186S87.7Confident87.2Confident7 Ų766.6 Ų66.65%0.04934%0.335CS..  trans-77.9170164.164.30000111.5T1188 Q1189 H1190 L1202S1186-T1188 PolarHBondContact O-N 2.97Å; S1186-T1188 PolarHBondContact OG-N 3.11Å; S1186-T1188 PolarHBondContact OG-OG1 3.02Å; S1186-Q1189 WeakPolarHBondContact O-CA 3.43Å; S1186-Q1189 PolarHBondContact O-N 2.9Å; S1186-Q1189 PolarHBondContact OG-N 3.15Å; S1186-H1190 PolarHBondContact N-O 3.39Å; S1186-H1190 PolarHBondContact OG-N 3.38Å; S1186-H1190 PolarHBondContact OG-O 2.95Å; S1186-L1202 WeakPolarHBondContact O-CD1 3.31Å
1187L83.1Confident87.4Confident70 Ų7064.6 Ų64.637%0.36632%0.319SS..THydrogen-bonded Turntrans-57.5-27.2166.5-60.2-177.7000112.6Q1189 E1200 L1202 M1255L1187-Q1189 PolarHBondContact O-N 2.93Å; L1187-E1200 HydrophobicContact CD1-CB 4.12Å; L1187-E1200 HydrophobicContact CD2-CB 4.27Å; L1187-E1200 HydrophobicContact CG-CB 4.36Å; L1187-L1202 HydrophobicContact CD2-CD2 3.98Å; L1187-L1202 HydrophobicContact CD2-CG 4.24Å; L1187-M1255 HydrophobicContact CD2-CE 3.8Å; L1187-M1255 HydrophobicContact CD2-CG 4.03Å; L1187-M1255 HydrophobicContact CD2-SD 3.89Å
1188T79.3Confident87.4Confident44 Ų4467.1 Ų67.127%0.2733%0.332SS..THydrogen-bonded Turntrans-84.414.5171.454.20000113.3S1186 H1190 P1422S1186-T1188 PolarHBondContact O-N 2.97Å; S1186-T1188 PolarHBondContact OG-N 3.11Å; S1186-T1188 PolarHBondContact OG-OG1 3.02Å; T1188-H1190 PolarHBondContact O-CE1 2.84Å; T1188-H1190 PolarHBondContact O-N 3.05Å; T1188-H1190 VanDerWaalsContact O-N 3.11Å; T1188-H1190 PolarHBondContact O-ND1 3.46Å; T1188-P1422 HydrophobicContact CG2-CG 4.35Å
1189Q81.1Confident87.3Confident147 Ų14766.9 Ų66.969%0.68733%0.333SS*.  trans58.914.6180-56.2-175.56.900116.4S1186 L1187S1186-Q1189 WeakPolarHBondContact O-CA 3.43Å; S1186-Q1189 PolarHBondContact O-N 2.9Å; S1186-Q1189 PolarHBondContact OG-N 3.15Å; L1187-Q1189 PolarHBondContact O-N 2.93Å
1190H84.9Confident87.3Confident104 Ų10464.5 Ų64.548%0.48132%0.321SS..PPolyproline II helixtrans-81.7134.7175.7-68.760.5000110.1L1185 S1186 T1188 I1192L1185-H1190 CarbonylContact C-O 3.5Å; L1185-H1190 WeakPolarHBondContact CA-O 3.43Å; S1186-H1190 PolarHBondContact N-O 3.39Å; S1186-H1190 PolarHBondContact OG-N 3.38Å; S1186-H1190 PolarHBondContact OG-O 2.95Å; T1188-H1190 PolarHBondContact O-CE1 2.84Å; T1188-H1190 PolarHBondContact O-N 3.05Å; T1188-H1190 VanDerWaalsContact O-N 3.11Å; T1188-H1190 PolarHBondContact O-ND1 3.46Å; H1190-I1192 PolarHBondContact O-N 3.06Å
1191P89.4Confident87.4Confident110 Ų11062.9 Ų62.971%0.71431%0.313SS*.BIsolated β-bridgetrans-59.1130.7-179.5-2735.6000114.1L1184 L1185L1184-P1191 WeakPolarHBondContact O-CA 3.49Å; L1185-P1191 HydrophobicContact CD2-CB 4.43Å; L1185-P1191 HydrophobicContact CD2-CG 4.14Å
1192I86.9Confident87.4Confident30 Ų3059.1 Ų59.115%0.15429%0.293CS..PPolyproline II helixtrans-99.6140.7-178.9-73.9-176.1000111.3L1184 H1190 S1194 L1195 F1201L1184-I1192 PolarHBondContact O-N 2.68Å; H1190-I1192 PolarHBondContact O-N 3.06Å; I1192-S1194 WeakPolarHBondContact CG2-O 3.4Å; I1192-L1195 HydrophobicContact CG2-CD2 4.36Å; I1192-F1201 HydrophobicContact CD1-CB 4.03Å
1193K87Confident87.4Confident189 Ų18954.1 Ų54.182%0.82227%0.273SS*.SBendtrans-112.1-14173.1-63.9-175.4179.9-179.40114.8P1303K1193-P1303 WeakPolarHBondContact O-CG 3.46Å
1194S90.1Very high87.4Confident20 Ų2049.8 Ų49.814%0.1426%0.256CS..SBendtrans-150.5140.8178.160.90000110.5I1192 P1303 L1305 R1419I1192-S1194 WeakPolarHBondContact CG2-O 3.4Å; S1194-P1303 CarbonylContact C-O 3.55Å; S1194-P1303 VanDerWaalsContact CA-O 3.29Å; S1194-P1303 WeakPolarHBondContact CA-O 3.37Å; S1194-L1305 VanDerWaalsContact OG-CD1 3.26Å; S1194-L1305 WeakPolarHBondContact OG-CD1 3.4Å; S1194-R1419 PolarHBondContact O-NH1 2.8Å; S1194-R1419 PolarHBondContact OG-NH2 3.03Å
1195L88.8Confident87.3Confident3 Ų348.5 Ų48.52%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-80153.8175.9-55.8-176.4000110.4I1192 F1201 L1258 I1268 I1302 P1303 V1304 L1305I1192-L1195 HydrophobicContact CG2-CD2 4.36Å; L1195-F1201 HydrophobicContact CD1-CE1 3.83Å; L1195-F1201 HydrophobicContact CD1-CE2 4.46Å; L1195-F1201 HydrophobicContact CD1-CZ 3.77Å; L1195-F1201 HydrophobicContact CD2-CB 4.45Å; L1195-F1201 HydrophobicContact CD2-CD1 3.73Å; L1195-F1201 HydrophobicContact CD2-CD2 3.82Å; L1195-F1201 HydrophobicContact CD2-CE1 3.79Å; L1195-F1201 HydrophobicContact CD2-CE2 3.87Å; L1195-F1201 HydrophobicContact CD2-CG 3.74Å; L1195-F1201 HydrophobicContact CD2-CZ 3.85Å; L1195-F1201 HydrophobicContact CG-CE1 4.4Å; L1195-F1201 HydrophobicContact CG-CZ 4.48Å; L1195-L1258 HydrophobicContact CB-CD2 3.73Å; L1195-L1258 HydrophobicContact CD1-CD2 4.29Å; L1195-I1268 HydrophobicContact CD1-CG2 4Å; L1195-I1302 HydrophobicContact CD1-CD1 4.48Å; L1195-I1302 HydrophobicContact CD2-CG2 4.45Å; L1195-I1302 HydrophobicContact CG-CG2 4.03Å; L1195-P1303 PolarHBondContact N-O 3.31Å; L1195-V1304 CarbonylContact O-C 3.48Å; L1195-V1304 WeakPolarHBondContact O-CA 3.39Å; L1195-L1305 PolarHBondContact O-N 3.41Å
1196I87.4Confident87.3Confident17 Ų1750.7 Ų50.79%0.08726%0.258CS..EExtended strand (participates in β ladder)trans-112.5136.8171.1-58.1169.1000107T1199 L1305 L1307 R1419I1196-T1199 HydrophobicContact CB-CG2 4.24Å; I1196-T1199 VanDerWaalsContact CG2-OG1 3.32Å; I1196-T1199 WeakPolarHBondContact CG2-OG1 3.36Å; I1196-T1199 VanDerWaalsContact O-CB 3.26Å; I1196-T1199 WeakPolarHBondContact O-CB 3.47Å; I1196-T1199 PolarHBondContact O-N 2.66Å; I1196-L1305 WeakPolarHBondContact CA-O 3.34Å; I1196-L1305 HydrophobicContact CG1-CB 4.41Å; I1196-L1307 HydrophobicContact CD1-CD1 4.06Å; I1196-L1307 HydrophobicContact CG2-CD1 3.87Å; I1196-L1307 HydrophobicContact CG2-CG 4.2Å; I1196-R1419 HydrophobicContact CD1-CB 4.43Å
1197V84.3Confident87.5Confident28 Ų2850.4 Ų50.417%0.1726%0.256CS..THydrogen-bonded Turntrans-62.7142179.1176.80000110.8T1199 L1258 E1260 V1304 L1305V1197-T1199 PolarHBondContact O-N 2.82Å; V1197-T1199 PolarHBondContact O-OG1 3.33Å; V1197-T1199 VanDerWaalsContact O-OG1 3.07Å; V1197-L1258 HydrophobicContact CG2-CD2 4.22Å; V1197-E1260 HydrophobicContact CG1-CB 3.47Å; V1197-E1260 VanDerWaalsContact CG1-CB 3.47Å; V1197-E1260 HydrophobicContact CG1-CG 3.74Å; V1197-V1304 HydrophobicContact CG2-CG1 3.66Å; V1197-L1305 WeakPolarHBondContact CG2-O 3.34Å; V1197-L1305 PolarHBondContact N-O 3.04Å
1198N82.7Confident87.9Confident60 Ų6047.9 Ų47.932%0.32124%0.243SC..THydrogen-bonded Turntrans53.537.5-176.3-53.7-41.4000113.3L1258 E1260 Q1310N1198-L1258 VanDerWaalsContact CA-O 3.31Å; N1198-L1258 WeakPolarHBondContact CA-O 3.24Å; N1198-L1258 PolarHBondContact N-O 2.79Å; N1198-E1260 PolarHBondContact ND2-OE2 3.25Å; N1198-E1260 PolarHBondContact OD1-N 3.43Å; N1198-Q1310 PolarHBondContact O-NE2 2.93Å
1199T85.7Confident88.5Confident17 Ų1745.8 Ų45.810%0.10423%0.231CC..EExtended strand (participates in β ladder)trans-135.3138-176.4-51.90000110.9I1196 V1197 Q1420I1196-T1199 HydrophobicContact CB-CG2 4.24Å; I1196-T1199 VanDerWaalsContact CG2-OG1 3.32Å; I1196-T1199 WeakPolarHBondContact CG2-OG1 3.36Å; I1196-T1199 VanDerWaalsContact O-CB 3.26Å; I1196-T1199 WeakPolarHBondContact O-CB 3.47Å; I1196-T1199 PolarHBondContact O-N 2.66Å; V1197-T1199 PolarHBondContact O-N 2.82Å; V1197-T1199 PolarHBondContact O-OG1 3.33Å; V1197-T1199 VanDerWaalsContact O-OG1 3.07Å; T1199-Q1420 VanDerWaalsContact CG2-CD 3.48Å; T1199-Q1420 HydrophobicContact CG2-CG 3.96Å
1200E88.8Confident88.5Confident71 Ų7142.2 Ų42.233%0.33222%0.219SC..EExtended strand (participates in β ladder)trans-85.1144-178.5-65.7166.8153.600112.8L1187 M1255 L1256 L1257L1187-E1200 HydrophobicContact CD1-CB 4.12Å; L1187-E1200 HydrophobicContact CD2-CB 4.27Å; L1187-E1200 HydrophobicContact CG-CB 4.36Å; E1200-M1255 HydrophobicContact CB-CG 4.29Å; E1200-M1255 HydrophobicContact CB-SD 4.4Å; E1200-M1255 HydrophobicContact CG-SD 4.44Å; E1200-L1256 CarbonylContact C-O 2.77Å; E1200-L1256 WeakPolarHBondContact CA-O 3.46Å; E1200-L1257 HydrophobicContact CG-CB 4.36Å; E1200-L1257 HydrophobicContact CG-CD1 4.2Å
1201F90.7Very high88.2Confident6 Ų637.2 Ų37.23%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-142.6169.3176.768.2-81.2000111.2L1184 I1192 L1195 I1228 M1255 L1256 L1270L1184-F1201 HydrophobicContact CD2-CD2 4.02Å; L1184-F1201 HydrophobicContact CD2-CE2 3.89Å; I1192-F1201 HydrophobicContact CD1-CB 4.03Å; L1195-F1201 HydrophobicContact CD1-CE1 3.83Å; L1195-F1201 HydrophobicContact CD1-CE2 4.46Å; L1195-F1201 HydrophobicContact CD1-CZ 3.77Å; L1195-F1201 HydrophobicContact CD2-CB 4.45Å; L1195-F1201 HydrophobicContact CD2-CD1 3.73Å; L1195-F1201 HydrophobicContact CD2-CD2 3.82Å; L1195-F1201 HydrophobicContact CD2-CE1 3.79Å; L1195-F1201 HydrophobicContact CD2-CE2 3.87Å; L1195-F1201 HydrophobicContact CD2-CG 3.74Å; L1195-F1201 HydrophobicContact CD2-CZ 3.85Å; L1195-F1201 HydrophobicContact CG-CE1 4.4Å; L1195-F1201 HydrophobicContact CG-CZ 4.48Å; F1201-I1228 HydrophobicContact CZ-CG2 4.44Å; F1201-M1255 WeakPolarHBondContact O-CA 3.47Å; F1201-L1256 HydrophobicContact CD1-CB 4.16Å; F1201-L1256 WeakPolarHBondContact CD1-O 3.42Å; F1201-L1256 HydrophobicContact CD2-CB 4.34Å; F1201-L1256 HydrophobicContact CE1-CB 3.64Å; F1201-L1256 HydrophobicContact CE2-CB 3.86Å; F1201-L1256 HydrophobicContact CE2-CD1 3.87Å; F1201-L1256 HydrophobicContact CE2-CG 4.42Å; F1201-L1256 HydrophobicContact CG-CB 4.49Å; F1201-L1256 HydrophobicContact CZ-CB 3.48Å; F1201-L1256 VanDerWaalsContact CZ-CB 3.48Å; F1201-L1256 HydrophobicContact CZ-CD1 3.93Å; F1201-L1256 HydrophobicContact CZ-CG 4.35Å; F1201-L1256 PolarHBondContact N-O 3.05Å; F1201-L1256 PolarHBondContact O-N 2.72Å; F1201-L1270 HydrophobicContact CE2-CD2 4.38Å; F1201-L1270 HydrophobicContact CZ-CD2 4.38Å
1202L91.2Very high87.6Confident22 Ų2237.5 Ų37.512%0.11519%0.191CC..EExtended strand (participates in β ladder)trans-114.2130.2-178.4-59.9-179.4000111.3L1184 L1185 S1186 L1187 H1254 M1255L1184-L1202 WeakPolarHBondContact CA-O 3.08Å; L1185-L1202 HydrophobicContact CB-CB 4.24Å; L1185-L1202 PolarHBondContact N-O 3.43Å; L1185-L1202 PolarHBondContact O-N 2.85Å; S1186-L1202 WeakPolarHBondContact O-CD1 3.31Å; L1187-L1202 HydrophobicContact CD2-CD2 3.98Å; L1187-L1202 HydrophobicContact CD2-CG 4.24Å; L1202-H1254 WeakPolarHBondContact CA-O 3.47Å; L1202-M1255 HydrophobicContact CD2-CB 3.99Å; L1202-M1255 HydrophobicContact CD2-CE 4.47Å; L1202-M1255 HydrophobicContact CD2-CG 4.08Å
1203L91Very high87Confident1 Ų139.2 Ų39.21%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-102.6115.7164.5171.563.2000108.2L1184 L1222 C1253 H1254 L1256 L1270 L1299L1184-L1203 HydrophobicContact CD2-CB 4.31Å; L1184-L1203 HydrophobicContact CD2-CD1 4.03Å; L1184-L1203 HydrophobicContact CG-CD1 4.44Å; L1203-L1222 HydrophobicContact CD2-CD1 4.01Å; L1203-L1222 HydrophobicContact CD2-CD2 4.09Å; L1203-C1253 CarbonylContact O-C 3.56Å; L1203-C1253 VanDerWaalsContact O-CA 3.29Å; L1203-C1253 WeakPolarHBondContact O-CA 3.41Å; L1203-H1254 PolarHBondContact N-O 2.76Å; L1203-H1254 PolarHBondContact O-N 2.79Å; L1203-L1256 HydrophobicContact CB-CD1 3.86Å; L1203-L1256 HydrophobicContact CD2-CD1 4.16Å; L1203-L1270 HydrophobicContact CD1-CD1 4.12Å; L1203-L1270 HydrophobicContact CD2-CD1 4.45Å; L1203-L1299 HydrophobicContact CD2-CD1 3.98Å
1204L91.7Very high86.8Confident48 Ų4834.2 Ų34.225%0.25118%0.175SC..EExtended strand (participates in β ladder)trans-111.3122179.8172.569.7000109.3Y1182 K1183 L1185 E1252 C1253Y1182-L1204 CarbonylContact C-O 3.56Å; Y1182-L1204 WeakPolarHBondContact CA-O 3.35Å; K1183-L1204 HydrophobicContact CB-CB 4.47Å; K1183-L1204 PolarHBondContact N-O 2.79Å; K1183-L1204 PolarHBondContact O-N 3.5Å; L1185-L1204 HydrophobicContact CD1-CD2 4.08Å; L1204-E1252 CarbonylContact C-O 3.54Å; L1204-E1252 WeakPolarHBondContact CA-O 3.49Å; L1204-C1253 HydrophobicContact CD1-CB 3.98Å
1205F90.2Very high86.5Confident2 Ų233.3 Ų33.31%0.00917%0.169CC..EExtended strand (participates in β ladder)trans-123.4164.3172.764.4-103000112.9L1180 D1181 I1220 T1251 E1252 H1254 I1273L1180-F1205 HydrophobicContact CD1-CB 4.23Å; L1180-F1205 HydrophobicContact CD1-CD2 3.88Å; L1180-F1205 HydrophobicContact CD1-CG 4.33Å; D1181-F1205 CarbonylContact O-C 3.56Å; D1181-F1205 WeakPolarHBondContact O-CA 3.33Å; D1181-F1205 WeakPolarHBondContact O-CB 3.49Å; F1205-I1220 HydrophobicContact CE2-CD1 4.19Å; F1205-I1220 HydrophobicContact CE2-CG2 4.09Å; F1205-I1220 HydrophobicContact CZ-CG2 3.72Å; F1205-T1251 CarbonylContact O-C 3.55Å; F1205-T1251 WeakPolarHBondContact O-CA 3.27Å; F1205-E1252 HydrophobicContact CD2-CB 4.07Å; F1205-E1252 HydrophobicContact CE1-CB 4.07Å; F1205-E1252 HydrophobicContact CE1-CG 4.32Å; F1205-E1252 HydrophobicContact CE2-CB 3.57Å; F1205-E1252 HydrophobicContact CE2-CG 4.34Å; F1205-E1252 HydrophobicContact CZ-CB 3.56Å; F1205-E1252 HydrophobicContact CZ-CG 3.88Å; F1205-E1252 VanDerWaalsContact CZ-OE2 3.28Å; F1205-E1252 WeakPolarHBondContact CZ-OE2 3.49Å; F1205-E1252 PolarHBondContact N-O 3.32Å; F1205-E1252 PolarHBondContact O-N 3.01Å; F1205-H1254 AromaticContact CE1-CD2 3.62Å; F1205-H1254 AromaticContact CE1-NE2 3.33Å; F1205-H1254 VanDerWaalsContact CE1-NE2 3.33Å; F1205-H1254 WeakPolarHBondContact CE1-NE2 3.24Å; F1205-H1254 AromaticContact CZ-NE2 3.79Å; F1205-I1273 HydrophobicContact CB-CD1 4.46Å; F1205-I1273 HydrophobicContact CD1-CD1 3.51Å; F1205-I1273 HydrophobicContact CD2-CD1 4.28Å; F1205-I1273 HydrophobicContact CE1-CD1 3.6Å; F1205-I1273 HydrophobicContact CE1-CG1 4.34Å; F1205-I1273 HydrophobicContact CE2-CD1 4.39Å; F1205-I1273 HydrophobicContact CG-CD1 3.86Å; F1205-I1273 HydrophobicContact CZ-CD1 4.07Å; F1205-I1273 HydrophobicContact CZ-CG2 4.47Å
1206K92.3Very high86.3Confident69 Ų6933.1 Ų33.130%0.317%0.168SC..EExtended strand (participates in β ladder)trans-133.3128.6-178179.1-153.3169-147.50108.7L1180 D1181 T1208 S1249 C1250 T1251L1180-K1206 CarbonylContact C-O 3.54Å; L1180-K1206 WeakPolarHBondContact CA-O 3.45Å; D1181-K1206 HydrophobicContact CB-CB 3.99Å; D1181-K1206 HydrophobicContact CB-CD 4.39Å; D1181-K1206 PolarHBondContact N-O 2.82Å; D1181-K1206 PolarHBondContact O-N 3.12Å; K1206-T1208 PolarHBondContact NZ-OG1 3.12Å; K1206-S1249 WeakPolarHBondContact CE-OG 3.2Å; K1206-S1249 PolarHBondContact NZ-OG 2.77Å; K1206-C1250 CarbonylContact C-O 3.51Å; K1206-C1250 VanDerWaalsContact CA-O 3.3Å; K1206-C1250 WeakPolarHBondContact CA-O 3.34Å; K1206-T1251 HydrophobicContact CB-CG2 3.93Å; K1206-T1251 HydrophobicContact CG-CG2 3.9Å
1207L91.5Very high86.2Confident0 Ų032.3 Ų32.30%016%0.164CC..EExtended strand (participates in β ladder)trans-122.3125.5178.1-170.686.6000110F1178 E1179 L1180 I1217 I1220 S1249 C1250 V1275 F1297F1178-L1207 HydrophobicContact CB-CD1 3.96Å; F1178-L1207 HydrophobicContact CB-CD2 4.29Å; F1178-L1207 HydrophobicContact CB-CG 4.06Å; F1178-L1207 HydrophobicContact CD1-CD2 3.82Å; F1178-L1207 HydrophobicContact CD1-CG 4.09Å; F1178-L1207 HydrophobicContact CD2-CD2 4.31Å; F1178-L1207 HydrophobicContact CE1-CD2 4.2Å; F1178-L1207 HydrophobicContact CG-CD1 4.46Å; F1178-L1207 HydrophobicContact CG-CD2 3.9Å; F1178-L1207 HydrophobicContact CG-CG 4.17Å; E1179-L1207 CarbonylContact O-C 3.49Å; E1179-L1207 VanDerWaalsContact O-CA 3.27Å; E1179-L1207 WeakPolarHBondContact O-CA 3.23Å; E1179-L1207 WeakPolarHBondContact O-CD1 3.19Å; L1180-L1207 HydrophobicContact CB-CD1 4.02Å; L1180-L1207 HydrophobicContact CD1-CB 4.34Å; L1180-L1207 HydrophobicContact CD1-CD1 3.82Å; L1207-I1217 HydrophobicContact CD2-CD1 3.41Å; L1207-I1217 VanDerWaalsContact CD2-CD1 3.41Å; L1207-I1220 HydrophobicContact CD2-CD1 4.23Å; L1207-S1249 CarbonylContact O-C 3.39Å; L1207-S1249 WeakPolarHBondContact O-CA 3.4Å; L1207-S1249 WeakPolarHBondContact O-CB 3.49Å; L1207-C1250 PolarHBondContact N-O 3.07Å; L1207-C1250 PolarHBondContact O-N 2.92Å; L1207-V1275 HydrophobicContact CD1-CG2 4.19Å; L1207-V1275 HydrophobicContact CD2-CG1 4.03Å; L1207-V1275 HydrophobicContact CD2-CG2 3.84Å; L1207-F1297 HydrophobicContact CD1-CE2 3.76Å; L1207-F1297 HydrophobicContact CD1-CZ 4.01Å
1208T91.2Very high86.2Confident17 Ų1731.8 Ų31.810%0.10416%0.159CC..EExtended strand (participates in β ladder)trans-103.7135.1-176.2-45.40000110.9F1178 E1179 K1206 E1248 S1249F1178-T1208 VanDerWaalsContact CA-O 3.24Å; F1178-T1208 WeakPolarHBondContact CA-O 3.28Å; E1179-T1208 PolarHBondContact N-O 2.84Å; E1179-T1208 PolarHBondContact O-N 2.85Å; K1206-T1208 PolarHBondContact NZ-OG1 3.12Å; T1208-E1248 WeakPolarHBondContact CA-O 3.33Å; T1208-S1249 WeakPolarHBondContact CG2-OG 3Å; T1208-S1249 PolarHBondContact OG1-OG 2.77Å
1209N91.4Very high86.2Confident1 Ų130 Ų301%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-80.6125.4172.4176.411.5000111.2P1177 F1178 A1211 W1213 L1215 I1244 Q1245 S1247 E1248P1177-N1209 PolarHBondContact O-OD1 2.89Å; F1178-N1209 HydrophobicContact CD1-CB 4.43Å; F1178-N1209 HydrophobicContact CE1-CB 4.29Å; N1209-A1211 WeakPolarHBondContact OD1-CB 3.34Å; N1209-A1211 PolarHBondContact OD1-N 2.92Å; N1209-W1213 PolarHBondContact ND2-O 3.02Å; N1209-L1215 VanDerWaalsContact OD1-CD1 3.28Å; N1209-L1215 WeakPolarHBondContact OD1-CD1 3.31Å; N1209-I1244 HydrophobicContact CB-CB 4.25Å; N1209-I1244 HydrophobicContact CB-CG2 3.61Å; N1209-I1244 PolarHBondContact ND2-O 3.3Å; N1209-Q1245 WeakPolarHBondContact CB-O 3.36Å; N1209-Q1245 PolarHBondContact ND2-O 3.09Å; N1209-S1247 WeakPolarHBondContact O-CA 3.41Å; N1209-S1247 PolarHBondContact O-N 2.87Å; N1209-S1247 VanDerWaalsContact O-N 3.08Å; N1209-E1248 PolarHBondContact N-O 2.86Å
1210T82.4Confident86.3Confident71 Ų7129.2 Ų29.244%0.43615%0.145SC..  trans-103.16-18062.90000114.4S1176 P1177 F1178 E1179S1176-T1210 PolarHBondContact O-OG1 3.04Å; P1177-T1210 PolarHBondContact O-N 3.47Å; P1177-T1210 PolarHBondContact O-OG1 3.07Å; F1178-T1210 PolarHBondContact N-OG1 3.18Å; E1179-T1210 HydrophobicContact CB-CG2 4.37Å
1211A78.7Confident86Confident0 Ų029.6 Ų29.60%015%0.147CC..SBendtrans-95.6160.6177.200000112.5L967 N1209 W1213 L1215 S1246L967-A1211 HydrophobicContact CD1-CB 4.46Å; L967-A1211 HydrophobicContact CD2-CB 3.77Å; N1209-A1211 WeakPolarHBondContact OD1-CB 3.34Å; N1209-A1211 PolarHBondContact OD1-N 2.92Å; A1211-W1213 HydrophobicContact CB-CE3 4.13Å; A1211-W1213 PolarHBondContact O-N 3.1Å; A1211-L1215 HydrophobicContact CB-CD1 4.19Å; A1211-L1215 HydrophobicContact CB-CD2 4.24Å; A1211-L1215 HydrophobicContact CB-CG 4.39Å; A1211-S1246 VanDerWaalsContact O-CA 3.3Å; A1211-S1246 WeakPolarHBondContact O-CA 3.35Å; A1211-S1246 WeakPolarHBondContact O-CB 3.38Å; A1211-S1246 PolarHBondContact O-OG 2.77Å
1212D76Confident85.8Confident116 Ų11630.8 Ų30.862%0.6215%0.153SC*.SBendtrans-75.4-8.7172.8-64.6-35.8000113.3
1213W74Confident85.5Confident65 Ų6534.1 Ų34.125%0.24617%0.168CC..SBendtrans-115.7153.7-173-45.6-68.5000111.6C965 L967 L1175 N1209 A1211 L1215 R1279C965-W1213 HydrophobicContact CB-CH2 3.4Å; C965-W1213 VanDerWaalsContact CB-CH2 3.4Å; C965-W1213 HydrophobicContact CB-CZ2 3.22Å; C965-W1213 HydrophobicContact CB-CZ3 4.3Å; L967-W1213 HydrophobicContact CD1-CE3 4.06Å; L967-W1213 HydrophobicContact CD1-CZ3 4.5Å; L967-W1213 HydrophobicContact CD2-CE3 4.26Å; L967-W1213 HydrophobicContact CD2-CZ3 4.02Å; L967-W1213 HydrophobicContact CG-CE3 4.08Å; L967-W1213 HydrophobicContact CG-CZ3 4.01Å; L1175-W1213 HydrophobicContact CB-CZ3 4.18Å; L1175-W1213 HydrophobicContact CD1-CH2 3.74Å; L1175-W1213 HydrophobicContact CD1-CZ3 3.91Å; L1175-W1213 HydrophobicContact CG-CH2 4.24Å; L1175-W1213 HydrophobicContact CG-CZ3 4.37Å; N1209-W1213 PolarHBondContact ND2-O 3.02Å; A1211-W1213 HydrophobicContact CB-CE3 4.13Å; A1211-W1213 PolarHBondContact O-N 3.1Å; W1213-L1215 PolarHBondContact O-N 3.35Å; W1213-R1279 VanDerWaalsContact CZ3-NH2 3.27Å
1214E82.4Confident85.3Confident85 Ų8536.6 Ų36.640%0.39718%0.184SC..PPolyproline II helixtrans-63.9119.8172.2-84.9176.9-175.400111.4I1243 I1244 Q1245 A1280E1214-I1243 HydrophobicContact CB-CG2 3.71Å; E1214-I1243 HydrophobicContact CG-CG2 3.81Å; E1214-I1244 WeakPolarHBondContact CA-O 3.16Å; E1214-Q1245 HydrophobicContact CG-CB 4.4Å; E1214-Q1245 HydrophobicContact CG-CG 4Å; E1214-Q1245 PolarHBondContact OE1-NE2 2.9Å; E1214-A1280 HydrophobicContact CB-CB 3.74Å; E1214-A1280 WeakPolarHBondContact O-CB 3.1Å; E1214-A1280 PolarHBondContact O-N 3.39Å
1215L85.2Confident84.9Confident0 Ų035.4 Ų35.40%018%0.181CC..EExtended strand (participates in β ladder)trans-102.4131.6177.8-53.1-168.3000109.7L967 P1177 F1178 N1209 A1211 W1213 I1243 I1244 W1277 S1278 R1279L967-L1215 HydrophobicContact CD1-CD1 4.47Å; L967-L1215 HydrophobicContact CD1-CD2 3.3Å; P1177-L1215 HydrophobicContact CB-CD1 3.68Å; F1178-L1215 HydrophobicContact CE1-CB 4.31Å; F1178-L1215 HydrophobicContact CE1-CD1 3.85Å; F1178-L1215 HydrophobicContact CE2-CD1 4.27Å; F1178-L1215 HydrophobicContact CZ-CB 3.99Å; F1178-L1215 HydrophobicContact CZ-CD1 3.67Å; F1178-L1215 HydrophobicContact CZ-CG 4.48Å; N1209-L1215 VanDerWaalsContact OD1-CD1 3.28Å; N1209-L1215 WeakPolarHBondContact OD1-CD1 3.31Å; A1211-L1215 HydrophobicContact CB-CD1 4.19Å; A1211-L1215 HydrophobicContact CB-CD2 4.24Å; A1211-L1215 HydrophobicContact CB-CG 4.39Å; W1213-L1215 PolarHBondContact O-N 3.35Å; L1215-I1243 CarbonylContact O-C 3.49Å; L1215-I1243 WeakPolarHBondContact O-CA 3.29Å; L1215-I1244 PolarHBondContact N-O 3.41Å; L1215-I1244 PolarHBondContact O-N 3.34Å; L1215-W1277 HydrophobicContact CD1-CE3 4.5Å; L1215-S1278 CarbonylContact C-O 3.4Å; L1215-S1278 WeakPolarHBondContact CA-O 3.35Å; L1215-R1279 HydrophobicContact CD2-CG 4.39Å
1216E83.4Confident84.4Confident0 Ų041 Ų410%022%0.219CC..EExtended strand (participates in β ladder)trans-92.1117.9169.8173.8166.4-139.600109.5H1218 N1241 L1242 I1243 W1277 S1278 A1280 R1283E1216-H1218 VanDerWaalsContact CD-CE1 3.42Å; E1216-H1218 PolarHBondContact O-N 3.42Å; E1216-H1218 IonicContact OE1-ND1 2.95Å; E1216-H1218 IonicContact OE2-CE1 3.45Å; E1216-H1218 PolarHBondContact OE2-CE1 2.87Å; E1216-H1218 IonicContact OE2-ND1 3.44Å; E1216-H1218 IonicContact OE2-NE2 3.98Å; E1216-N1241 VanDerWaalsContact OE1-CA 3.23Å; E1216-N1241 WeakPolarHBondContact OE1-CA 3.31Å; E1216-N1241 WeakPolarHBondContact OE1-CB 3.39Å; E1216-L1242 CarbonylContact C-O 3.53Å; E1216-L1242 WeakPolarHBondContact CA-O 3.43Å; E1216-I1243 HydrophobicContact CB-CG1 4.29Å; E1216-W1277 CarbonylContact O-C 3.57Å; E1216-W1277 WeakPolarHBondContact O-CA 3.12Å; E1216-W1277 VanDerWaalsContact O-CB 3.31Å; E1216-W1277 WeakPolarHBondContact O-CB 3.09Å; E1216-S1278 PolarHBondContact N-O 2.89Å; E1216-S1278 PolarHBondContact O-N 2.8Å; E1216-A1280 HydrophobicContact CB-CB 4.46Å; E1216-R1283 VanDerWaalsContact OE1-CD 3.28Å; E1216-R1283 WeakPolarHBondContact OE1-CD 3.3Å; E1216-R1283 IonicContact OE1-CZ 2.69Å; E1216-R1283 IonicContact OE1-NE 2.76Å; E1216-R1283 PolarHBondContact OE1-NE 3.08Å; E1216-R1283 IonicContact OE1-NH1 3.8Å; E1216-R1283 PolarHBondContact OE1-NH1 2.78Å; E1216-R1283 WeakPolarHBondContact OE2-CB 3.38Å; E1216-R1283 WeakPolarHBondContact OE2-CD 3.42Å; E1216-R1283 WeakPolarHBondContact OE2-CG 3.27Å
1217I86.2Confident83.9Confident0 Ų040.1 Ų40.10%022%0.217CC..EExtended strand (participates in β ladder)trans-85.5107.4166.9-60.4-176.3000108F1178 L1207 I1220 I1239 K1240 N1241 L1242 I1244 V1275 H1276 W1277F1178-I1217 HydrophobicContact CE1-CD1 3.86Å; F1178-I1217 HydrophobicContact CE1-CG1 4.15Å; F1178-I1217 HydrophobicContact CE2-CD1 4.41Å; F1178-I1217 HydrophobicContact CE2-CG1 4.32Å; F1178-I1217 HydrophobicContact CZ-CD1 3.75Å; F1178-I1217 HydrophobicContact CZ-CG1 3.61Å; L1207-I1217 HydrophobicContact CD2-CD1 3.41Å; L1207-I1217 VanDerWaalsContact CD2-CD1 3.41Å; I1217-I1220 HydrophobicContact CD1-CD1 4.17Å; I1217-I1220 HydrophobicContact CG2-CD1 3.95Å; I1217-I1220 HydrophobicContact CG2-CG1 3.45Å; I1217-I1220 VanDerWaalsContact CG2-CG1 3.45Å; I1217-I1239 HydrophobicContact CB-CG2 4.26Å; I1217-I1239 HydrophobicContact CG2-CG2 4.11Å; I1217-K1240 CarbonylContact O-C 3.51Å; I1217-N1241 CarbonylContact O-C 3.34Å; I1217-N1241 WeakPolarHBondContact O-CA 3.33Å; I1217-N1241 PolarHBondContact O-N 2.94Å; I1217-L1242 PolarHBondContact N-O 3.31Å; I1217-L1242 PolarHBondContact O-N 3.5Å; I1217-I1244 HydrophobicContact CD1-CD1 3.51Å; I1217-I1244 HydrophobicContact CG1-CD1 4.22Å; I1217-V1275 HydrophobicContact CD1-CG1 3.97Å; I1217-V1275 HydrophobicContact CG1-CG1 4.14Å; I1217-V1275 HydrophobicContact CG2-CG1 3.88Å; I1217-H1276 CarbonylContact C-O 3.58Å; I1217-W1277 HydrophobicContact CG1-CB 4.36Å
1218H83.7Confident83.5Confident16 Ų1640.4 Ų40.47%0.07422%0.218CC..EExtended strand (participates in β ladder)trans-71.3-34.5178.2-71.9-54.3000113.3E1216 K1240 N1241 H1276 S1278 I1292E1216-H1218 VanDerWaalsContact CD-CE1 3.42Å; E1216-H1218 PolarHBondContact O-N 3.42Å; E1216-H1218 IonicContact OE1-ND1 2.95Å; E1216-H1218 IonicContact OE2-CE1 3.45Å; E1216-H1218 PolarHBondContact OE2-CE1 2.87Å; E1216-H1218 IonicContact OE2-ND1 3.44Å; E1216-H1218 IonicContact OE2-NE2 3.98Å; H1218-K1240 WeakPolarHBondContact O-CA 3.44Å; H1218-K1240 WeakPolarHBondContact O-CG 3.17Å; H1218-N1241 WeakPolarHBondContact CA-OD1 3.36Å; H1218-N1241 PolarHBondContact ND1-OD1 2.92Å; H1218-N1241 PolarHBondContact O-N 2.93Å; H1218-H1276 PolarHBondContact N-O 3.43Å; H1218-S1278 VanDerWaalsContact NE2-CB 3.33Å; H1218-S1278 WeakPolarHBondContact NE2-CB 3.36Å; H1218-S1278 PolarHBondContact NE2-OG 2.89Å; H1218-I1292 HydrophobicContact CB-CD1 4.16Å; H1218-I1292 HydrophobicContact CB-CG2 4.37Å
1219D82.9Confident83Confident23 Ų2341.8 Ų41.812%0.12323%0.229CC..EExtended strand (participates in β ladder)trans-157.9145.8178-163.32.4000111Q1221 I1239 K1240 H1276D1219-Q1221 WeakPolarHBondContact OD2-CG 3.49Å; D1219-Q1221 PolarHBondContact OD2-NE2 2.86Å; D1219-I1239 CarbonylContact C-O 3.58Å; D1219-I1239 WeakPolarHBondContact CA-O 3.38Å; D1219-K1240 HydrophobicContact CB-CG 4.45Å; D1219-K1240 WeakPolarHBondContact OD1-CE 3.39Å; D1219-K1240 IonicContact OD1-NZ 3.1Å; D1219-K1240 WeakPolarHBondContact OD2-CE 3.41Å; D1219-K1240 IonicContact OD2-NZ 3.92Å; D1219-K1240 PolarHBondContact OD2-NZ 3.48Å; D1219-H1276 HydrophobicContact CB-CB 3.93Å; D1219-H1276 PolarHBondContact N-O 3.18Å; D1219-H1276 VanDerWaalsContact N-O 3.12Å; D1219-H1276 WeakPolarHBondContact O-CB 3.38Å; D1219-H1276 PolarHBondContact O-N 3Å
1220I86.5Confident82.1Confident0 Ų044.2 Ų44.20%025%0.245CC..EExtended strand (participates in β ladder)trans-121.1113.4163.2-54.1-168.2000108.4F1205 L1207 I1217 C1238 I1239 E1252 I1273 I1274 V1275F1205-I1220 HydrophobicContact CE2-CD1 4.19Å; F1205-I1220 HydrophobicContact CE2-CG2 4.09Å; F1205-I1220 HydrophobicContact CZ-CG2 3.72Å; L1207-I1220 HydrophobicContact CD2-CD1 4.23Å; I1217-I1220 HydrophobicContact CD1-CD1 4.17Å; I1217-I1220 HydrophobicContact CG2-CD1 3.95Å; I1217-I1220 HydrophobicContact CG2-CG1 3.45Å; I1217-I1220 VanDerWaalsContact CG2-CG1 3.45Å; I1220-C1238 WeakPolarHBondContact O-CB 3.23Å; I1220-C1238 PolarHBondContact O-SG 2.8Å; I1220-I1239 HydrophobicContact CD1-CB 3.92Å; I1220-I1239 HydrophobicContact CD1-CD1 4.49Å; I1220-I1239 HydrophobicContact CD1-CG2 4.08Å; I1220-I1239 HydrophobicContact CG1-CB 4.03Å; I1220-I1239 HydrophobicContact CG1-CG2 4.27Å; I1220-I1239 PolarHBondContact N-O 3.17Å; I1220-I1239 VanDerWaalsContact N-O 3.12Å; I1220-E1252 WeakPolarHBondContact CB-OE2 3.23Å; I1220-E1252 WeakPolarHBondContact CD1-OE2 3.45Å; I1220-I1273 HydrophobicContact CG2-CG2 3.56Å; I1220-I1274 CarbonylContact C-O 3.46Å; I1220-I1274 WeakPolarHBondContact CA-O 3.28Å; I1220-V1275 HydrophobicContact CD1-CG2 4.37Å; I1220-V1275 HydrophobicContact CG1-CG1 4.48Å; I1220-V1275 HydrophobicContact CG1-CG2 4.46Å; I1220-V1275 HydrophobicContact CG2-CG2 4.46Å
1221Q84.2Confident81.1Confident79 Ų7942.7 Ų42.737%0.36924%0.24SC..EExtended strand (participates in β ladder)trans-101.6118.7-177.1-61.8177.54.900109.9D1219 I1273 I1274 H1276D1219-Q1221 WeakPolarHBondContact OD2-CG 3.49Å; D1219-Q1221 PolarHBondContact OD2-NE2 2.86Å; Q1221-I1273 WeakPolarHBondContact O-CA 3.27Å; Q1221-I1274 HydrophobicContact CB-CB 4.31Å; Q1221-I1274 PolarHBondContact N-O 3.26Å; Q1221-I1274 PolarHBondContact O-N 2.9Å; Q1221-H1276 PolarHBondContact NE2-CD2 3.05Å
1222L85.8Confident79.9Confident32 Ų3244.7 Ų44.717%0.16825%0.254CS..EExtended strand (participates in β ladder)trans-92.2108.4172.1179.469.7000109.4L1203 V1224 H1254 L1256 I1273 L1299L1203-L1222 HydrophobicContact CD2-CD1 4.01Å; L1203-L1222 HydrophobicContact CD2-CD2 4.09Å; L1222-V1224 HydrophobicContact CD2-CG1 3.67Å; L1222-V1224 HydrophobicContact CG-CG1 3.72Å; L1222-H1254 HydrophobicContact CD2-CB 4.13Å; L1222-L1256 HydrophobicContact CD2-CD2 4.25Å; L1222-I1273 HydrophobicContact CD1-CD1 4.46Å; L1222-I1273 HydrophobicContact CD1-CG1 3.78Å; L1222-L1299 HydrophobicContact CD1-CD1 3.54Å
1223E84.3Confident78.4Confident92 Ų9246.9 Ų46.943%0.4327%0.265SS..EExtended strand (participates in β ladder)trans-81.3111.7166.7-67.7174.5175.500108.5G1271 S1272 I1274 K1296E1223-G1271 CarbonylContact O-C 3.6Å; E1223-G1271 VanDerWaalsContact O-CA 3.28Å; E1223-G1271 WeakPolarHBondContact O-CA 3.28Å; E1223-S1272 PolarHBondContact N-O 2.73Å; E1223-S1272 PolarHBondContact O-N 3.28Å; E1223-S1272 PolarHBondContact OE2-OG 2.75Å; E1223-I1274 WeakPolarHBondContact OE1-CD1 3.45Å; E1223-K1296 IonicContact OE1-NZ 3.98Å; E1223-K1296 PolarHBondContact OE1-NZ 3.04Å; E1223-K1296 IonicContact OE2-NZ 2.8Å; E1223-K1296 PolarHBondContact OE2-NZ 3.25Å
1224V86.6Confident77Confident53 Ų5348.9 Ų48.932%0.32128%0.28SS..  trans-97.4160.2176.8-62.70000113L1222 I1228 L1256 L1270L1222-V1224 HydrophobicContact CD2-CG1 3.67Å; L1222-V1224 HydrophobicContact CG-CG1 3.72Å; V1224-I1228 HydrophobicContact CB-CB 4.49Å; V1224-I1228 WeakPolarHBondContact CG2-O 3.31Å; V1224-L1256 HydrophobicContact CG1-CD2 4.17Å; V1224-L1270 WeakPolarHBondContact CA-O 3.46Å
1225A83Confident75.2Confident23 Ų2353.1 Ų53.119%0.1930%0.3CS..  trans-69.3153.5170.400000112.8E1227 I1228 I1268 N1269A1225-E1227 VanDerWaalsContact C-N 3.28Å; A1225-E1227 PolarHBondContact O-N 2.96Å; A1225-E1227 VanDerWaalsContact O-N 3.11Å; A1225-I1228 PolarHBondContact O-N 3.27Å; A1225-I1268 HydrophobicContact CB-CG1 4.43Å; A1225-N1269 WeakPolarHBondContact CB-O 3.44Å
1226S80.3Confident73.4Confident118 Ų11856.8 Ų56.883%0.82533%0.325SS*.THydrogen-bonded Turntrans-56-29-169.329.10000116.7
1227E81.6Confident71.9Confident51 Ų5160.7 Ų60.724%0.23835%0.349CS..THydrogen-bonded Turntrans-93.2-7.2-175.7-49.190.5127.700112.5A1225 T1259 T1261 L1265 I1268A1225-E1227 VanDerWaalsContact C-N 3.28Å; A1225-E1227 PolarHBondContact O-N 2.96Å; A1225-E1227 VanDerWaalsContact O-N 3.11Å; E1227-T1259 PolarHBondContact O-N 3.08Å; E1227-T1259 PolarHBondContact O-OG1 3.4Å; E1227-T1261 HydrophobicContact CB-CG2 4.48Å; E1227-T1261 HydrophobicContact CG-CG2 4.15Å; E1227-L1265 HydrophobicContact CG-CD2 4.42Å; E1227-I1268 HydrophobicContact CB-CD1 3.71Å; E1227-I1268 HydrophobicContact CG-CD1 4.34Å
1228I83.2Confident70.7Confident7 Ų762 Ų624%0.03636%0.358CS..EExtended strand (participates in β ladder)trans-101.7118.1175.1-56.4176.1000108.4F1201 V1224 A1225 L1256 L1257 L1258 I1268 L1270F1201-I1228 HydrophobicContact CZ-CG2 4.44Å; V1224-I1228 HydrophobicContact CB-CB 4.49Å; V1224-I1228 WeakPolarHBondContact CG2-O 3.31Å; A1225-I1228 PolarHBondContact O-N 3.27Å; I1228-L1256 HydrophobicContact CG2-CB 3.88Å; I1228-L1256 HydrophobicContact CG2-CD1 4.29Å; I1228-L1256 HydrophobicContact CG2-CD2 4.26Å; I1228-L1256 HydrophobicContact CG2-CG 4.37Å; I1228-L1257 WeakPolarHBondContact CA-O 3.37Å; I1228-L1258 HydrophobicContact CG1-CD1 4.47Å; I1228-I1268 HydrophobicContact CD1-CD1 4.03Å; I1228-I1268 HydrophobicContact CD1-CG1 4.32Å; I1228-I1268 HydrophobicContact CG1-CD1 3.72Å; I1228-L1270 HydrophobicContact CD1-CD2 3.73Å
1229S81.2Confident69.8Low46 Ų4662.3 Ų62.332%0.32236%0.36SS..EExtended strand (participates in β ladder)trans-90.9146.5165.752.60000110.5L1256 L1257S1229-L1256 WeakPolarHBondContact O-CA 3.39Å; S1229-L1257 PolarHBondContact N-O 2.87Å; S1229-L1257 PolarHBondContact O-N 2.7Å; S1229-L1257 PolarHBondContact OG-O 2.99Å
1230C71.4Confident69.3Low51 Ų5164.9 Ų64.935%0.34537%0.37SS..EExtended strand (participates in β ladder)trans-84.4127.2165-159.70000108.1S1232 L1256C1230-S1232 VanDerWaalsContact C-N 3.29Å; C1230-S1232 PolarHBondContact SG-OG 3.2Å; C1230-L1256 HydrophobicContact CB-CD2 4.05Å
1231A61.5Low68.8Low40 Ų4068.2 Ų68.233%0.33139%0.388SS..SBendtrans-78-16.7-17800000112.5D1233 M1255A1231-D1233 PolarHBondContact O-N 3.41Å; A1231-D1233 VanDerWaalsContact O-N 3.07Å; A1231-M1255 HydrophobicContact CB-CB 4.33Å; A1231-M1255 HydrophobicContact CB-CG 4.14Å; A1231-M1255 HydrophobicContact CB-SD 4.23Å; A1231-M1255 PolarHBondContact N-O 2.95Å
1232S54.9Low68.8Low42 Ų4267.6 Ų67.629%0.29439%0.387SS..  trans-7693.7171.760.30000110.7C1230 L1234C1230-S1232 VanDerWaalsContact C-N 3.29Å; C1230-S1232 PolarHBondContact SG-OG 3.2Å; S1232-L1234 PolarHBondContact O-N 2.77Å
1233D43.8Very low68.7Low162 Ų16269.2 Ų69.287%0.86640%0.395SS*.  trans-60.868.7159.7-111.8-18.7000110A1231A1231-D1233 PolarHBondContact O-N 3.41Å; A1231-D1233 VanDerWaalsContact O-N 3.07Å
1234L44.4Very low68.8Low106 Ų10665 Ų6556%0.55538%0.375SS*.  trans-169.3123.9170.3-12952.9000113S1232 S1236 T1237S1232-L1234 PolarHBondContact O-N 2.77Å; L1234-S1236 WeakPolarHBondContact CD2-OG 3.45Å; L1234-S1236 VanDerWaalsContact CG-OG 3.27Å; L1234-S1236 WeakPolarHBondContact CG-OG 3.13Å; L1234-S1236 PolarHBondContact O-N 3.19Å; L1234-T1237 HydrophobicContact CB-CG2 4.46Å
1235H45.2Very low68.8Low175 Ų17567.6 Ų67.681%0.8138%0.384SS*.THydrogen-bonded Turntrans-69.127.2162.1-75.1-74.4000112.9K1240H1235-K1240 PolarHBondContact O-NZ 2.84Å
1236S48.4Very low68.9Low76 Ų7669 Ų6953%0.53139%0.392SS..THydrogen-bonded Turntrans-143.97.8-173.986.70000116.4L1234L1234-S1236 WeakPolarHBondContact CD2-OG 3.45Å; L1234-S1236 VanDerWaalsContact CG-OG 3.27Å; L1234-S1236 WeakPolarHBondContact CG-OG 3.13Å; L1234-S1236 PolarHBondContact O-N 3.19Å
1237T50.1Low69.1Low82 Ų8268 Ų6850%0.50339%0.385SS..SBendtrans-95.9-6.416653.80000112.9L1234L1234-T1237 HydrophobicContact CB-CG2 4.46Å
1238C62.7Low69.6Low29 Ų2969.8 Ų69.820%0.19639%0.394CS..SBendtrans-59.8151.2166.7-66.90000110.7I1220 K1240 E1252I1220-C1238 WeakPolarHBondContact O-CB 3.23Å; I1220-C1238 PolarHBondContact O-SG 2.8Å; C1238-K1240 HydrophobicContact CB-CG 4.19Å; C1238-K1240 PolarHBondContact O-N 3.25Å; C1238-E1252 WeakPolarHBondContact CA-OE1 3.36Å
1239I63.8Low69.9Low21 Ų2171.4 Ų71.411%0.10841%0.406CS..  trans-61.8108.7169.1-74.6-178.8000108.9I1217 D1219 I1220 L1242 C1250 E1252I1217-I1239 HydrophobicContact CB-CG2 4.26Å; I1217-I1239 HydrophobicContact CG2-CG2 4.11Å; D1219-I1239 CarbonylContact C-O 3.58Å; D1219-I1239 WeakPolarHBondContact CA-O 3.38Å; I1220-I1239 HydrophobicContact CD1-CB 3.92Å; I1220-I1239 HydrophobicContact CD1-CD1 4.49Å; I1220-I1239 HydrophobicContact CD1-CG2 4.08Å; I1220-I1239 HydrophobicContact CG1-CB 4.03Å; I1220-I1239 HydrophobicContact CG1-CG2 4.27Å; I1220-I1239 PolarHBondContact N-O 3.17Å; I1220-I1239 VanDerWaalsContact N-O 3.12Å; I1239-L1242 HydrophobicContact CD1-CD2 4.08Å; I1239-L1242 HydrophobicContact CG1-CD2 4.45Å; I1239-L1242 HydrophobicContact CG2-CB 3.59Å; I1239-L1242 HydrophobicContact CG2-CD2 3.6Å; I1239-L1242 HydrophobicContact CG2-CG 4.22Å; I1239-C1250 HydrophobicContact CD1-CB 3.74Å; I1239-C1250 VanDerWaalsContact CD1-SG 3.56Å; I1239-E1252 VanDerWaalsContact CB-OE2 3.29Å; I1239-E1252 WeakPolarHBondContact CB-OE2 3.11Å; I1239-E1252 HydrophobicContact CD1-CB 3.74Å; I1239-E1252 HydrophobicContact CD1-CG 4.18Å; I1239-E1252 HydrophobicContact CG1-CB 4.11Å; I1239-E1252 HydrophobicContact CG1-CG 3.98Å; I1239-E1252 VanDerWaalsContact CG1-OE2 3.26Å; I1239-E1252 WeakPolarHBondContact CG1-OE2 3.2Å; I1239-E1252 PolarHBondContact N-OE1 2.82Å; I1239-E1252 PolarHBondContact N-OE2 3.32Å
1240K71.9Confident70.1Confident77 Ų7769.8 Ų69.834%0.33539%0.394SS..  trans-131.1127.5-174.9-75.4-170.6166.8-172.50111.1I1217 H1218 D1219 H1235 C1238 L1242I1217-K1240 CarbonylContact O-C 3.51Å; H1218-K1240 WeakPolarHBondContact O-CA 3.44Å; H1218-K1240 WeakPolarHBondContact O-CG 3.17Å; D1219-K1240 HydrophobicContact CB-CG 4.45Å; D1219-K1240 WeakPolarHBondContact OD1-CE 3.39Å; D1219-K1240 IonicContact OD1-NZ 3.1Å; D1219-K1240 WeakPolarHBondContact OD2-CE 3.41Å; D1219-K1240 IonicContact OD2-NZ 3.92Å; D1219-K1240 PolarHBondContact OD2-NZ 3.48Å; H1235-K1240 PolarHBondContact O-NZ 2.84Å; C1238-K1240 HydrophobicContact CB-CG 4.19Å; C1238-K1240 PolarHBondContact O-N 3.25Å; K1240-L1242 PolarHBondContact O-N 3.16Å
1241N77.7Confident71Confident70 Ų7071.9 Ų71.937%0.37441%0.405SS..SBendtrans52.938.9-178.7-60.5-33.2000113.2E1216 I1217 H1218 R1283E1216-N1241 VanDerWaalsContact OE1-CA 3.23Å; E1216-N1241 WeakPolarHBondContact OE1-CA 3.31Å; E1216-N1241 WeakPolarHBondContact OE1-CB 3.39Å; I1217-N1241 CarbonylContact O-C 3.34Å; I1217-N1241 WeakPolarHBondContact O-CA 3.33Å; I1217-N1241 PolarHBondContact O-N 2.94Å; H1218-N1241 WeakPolarHBondContact CA-OD1 3.36Å; H1218-N1241 PolarHBondContact ND1-OD1 2.92Å; H1218-N1241 PolarHBondContact O-N 2.93Å; N1241-R1283 PolarHBondContact O-NH1 3.02Å; N1241-R1283 VanDerWaalsContact O-NH1 3.09Å
1242L83.6Confident72.1Confident67 Ų6770.3 Ų70.335%0.35139%0.391SS..EExtended strand (participates in β ladder)trans-91.8127.4176.9175.865.5000110.2E1216 I1217 I1239 K1240 I1244 C1250E1216-L1242 CarbonylContact C-O 3.53Å; E1216-L1242 WeakPolarHBondContact CA-O 3.43Å; I1217-L1242 PolarHBondContact N-O 3.31Å; I1217-L1242 PolarHBondContact O-N 3.5Å; I1239-L1242 HydrophobicContact CD1-CD2 4.08Å; I1239-L1242 HydrophobicContact CG1-CD2 4.45Å; I1239-L1242 HydrophobicContact CG2-CB 3.59Å; I1239-L1242 HydrophobicContact CG2-CD2 3.6Å; I1239-L1242 HydrophobicContact CG2-CG 4.22Å; K1240-L1242 PolarHBondContact O-N 3.16Å; L1242-I1244 HydrophobicContact CD2-CD1 4.38Å; L1242-I1244 HydrophobicContact CD2-CG1 4.2Å; L1242-I1244 HydrophobicContact CG-CG1 4.17Å; L1242-C1250 HydrophobicContact CD2-CB 3.46Å; L1242-C1250 VanDerWaalsContact CD2-CB 3.46Å
1243I84.3Confident73.7Confident66 Ų6671.5 Ų71.534%0.33840%0.399SS..EExtended strand (participates in β ladder)trans-89.3133.4173.7-62.6167.5000109.2E1214 L1215 E1216 A1280E1214-I1243 HydrophobicContact CB-CG2 3.71Å; E1214-I1243 HydrophobicContact CG-CG2 3.81Å; L1215-I1243 CarbonylContact O-C 3.49Å; L1215-I1243 WeakPolarHBondContact O-CA 3.29Å; E1216-I1243 HydrophobicContact CB-CG1 4.29Å; I1243-A1280 HydrophobicContact CB-CB 4.3Å; I1243-A1280 HydrophobicContact CD1-CB 3.83Å; I1243-A1280 HydrophobicContact CG1-CB 3.7Å; I1243-A1280 HydrophobicContact CG2-CB 3.69Å
1244I85.4Confident75.7Confident2 Ų264.2 Ų64.21%0.0136%0.359CS..EExtended strand (participates in β ladder)trans-124.1123.1178.4-53.8-179000109N1209 E1214 L1215 I1217 L1242 E1248 C1250N1209-I1244 HydrophobicContact CB-CB 4.25Å; N1209-I1244 HydrophobicContact CB-CG2 3.61Å; N1209-I1244 PolarHBondContact ND2-O 3.3Å; E1214-I1244 WeakPolarHBondContact CA-O 3.16Å; L1215-I1244 PolarHBondContact N-O 3.41Å; L1215-I1244 PolarHBondContact O-N 3.34Å; I1217-I1244 HydrophobicContact CD1-CD1 3.51Å; I1217-I1244 HydrophobicContact CG1-CD1 4.22Å; L1242-I1244 HydrophobicContact CD2-CD1 4.38Å; L1242-I1244 HydrophobicContact CD2-CG1 4.2Å; L1242-I1244 HydrophobicContact CG-CG1 4.17Å; I1244-E1248 WeakPolarHBondContact CA-OE2 3.32Å; I1244-E1248 HydrophobicContact CG2-CB 3.69Å; I1244-E1248 HydrophobicContact CG2-CG 3.95Å; I1244-E1248 WeakPolarHBondContact CG2-O 3.18Å; I1244-C1250 HydrophobicContact CD1-CB 3.64Å; I1244-C1250 VanDerWaalsContact CD1-SG 3.58Å; I1244-C1250 HydrophobicContact CG1-CB 4.36Å
1245Q86.2Confident77.9Confident109 Ų10962.5 Ų62.551%0.50935%0.35SS..  trans-70.1168.4177.1-55.8-155.1-46.300112.4N1209 E1214 S1247 E1248N1209-Q1245 WeakPolarHBondContact CB-O 3.36Å; N1209-Q1245 PolarHBondContact ND2-O 3.09Å; E1214-Q1245 HydrophobicContact CG-CB 4.4Å; E1214-Q1245 HydrophobicContact CG-CG 4Å; E1214-Q1245 PolarHBondContact OE1-NE2 2.9Å; Q1245-S1247 PolarHBondContact O-N 2.65Å; Q1245-E1248 HydrophobicContact CB-CB 4.08Å; Q1245-E1248 PolarHBondContact N-OE2 3.45Å; Q1245-E1248 WeakPolarHBondContact O-CB 3.42Å; Q1245-E1248 PolarHBondContact O-N 2.81Å; Q1245-E1248 VanDerWaalsContact O-N 3.1Å
1246S85.1Confident80Confident52 Ų5254.2 Ų54.236%0.36431%0.311SS..THydrogen-bonded Turntrans-57.8131.4175.9-174.40000111.3A1211 E1248A1211-S1246 VanDerWaalsContact O-CA 3.3Å; A1211-S1246 WeakPolarHBondContact O-CA 3.35Å; A1211-S1246 WeakPolarHBondContact O-CB 3.38Å; A1211-S1246 PolarHBondContact O-OG 2.77Å; S1246-E1248 PolarHBondContact O-N 3.34Å
1247S85.3Confident82Confident96 Ų9652.8 Ų52.867%0.67130%0.297SS*.THydrogen-bonded Turntrans60.92-175.7-50.30000116N1209 Q1245N1209-S1247 WeakPolarHBondContact O-CA 3.41Å; N1209-S1247 PolarHBondContact O-N 2.87Å; N1209-S1247 VanDerWaalsContact O-N 3.08Å; Q1245-S1247 PolarHBondContact O-N 2.65Å
1248E91.2Very high83.7Confident90 Ų9049.1 Ų49.142%0.42128%0.275SS..  trans-71.9159.4169.7-176.8176.2-146.700110.1T1208 N1209 I1244 Q1245 S1246T1208-E1248 WeakPolarHBondContact CA-O 3.33Å; N1209-E1248 PolarHBondContact N-O 2.86Å; I1244-E1248 WeakPolarHBondContact CA-OE2 3.32Å; I1244-E1248 HydrophobicContact CG2-CB 3.69Å; I1244-E1248 HydrophobicContact CG2-CG 3.95Å; I1244-E1248 WeakPolarHBondContact CG2-O 3.18Å; Q1245-E1248 HydrophobicContact CB-CB 4.08Å; Q1245-E1248 PolarHBondContact N-OE2 3.45Å; Q1245-E1248 WeakPolarHBondContact O-CB 3.42Å; Q1245-E1248 PolarHBondContact O-N 2.81Å; Q1245-E1248 VanDerWaalsContact O-N 3.1Å; S1246-E1248 PolarHBondContact O-N 3.34Å
1249S89.3Confident84.5Confident41 Ų4150.4 Ų50.429%0.28728%0.282SS..EExtended strand (participates in β ladder)trans-134.2133.4174.7-36.70000111.7K1206 L1207 T1208K1206-S1249 WeakPolarHBondContact CE-OG 3.2Å; K1206-S1249 PolarHBondContact NZ-OG 2.77Å; L1207-S1249 CarbonylContact O-C 3.39Å; L1207-S1249 WeakPolarHBondContact O-CA 3.4Å; L1207-S1249 WeakPolarHBondContact O-CB 3.49Å; T1208-S1249 WeakPolarHBondContact CG2-OG 3Å; T1208-S1249 PolarHBondContact OG1-OG 2.77Å
1250C87.2Confident84.8Confident11 Ų1155.7 Ų55.77%0.07431%0.306CS..EExtended strand (participates in β ladder)trans-85.2161.2166.172.30000110.9K1206 L1207 I1239 L1242 I1244K1206-C1250 CarbonylContact C-O 3.51Å; K1206-C1250 VanDerWaalsContact CA-O 3.3Å; K1206-C1250 WeakPolarHBondContact CA-O 3.34Å; L1207-C1250 PolarHBondContact N-O 3.07Å; L1207-C1250 PolarHBondContact O-N 2.92Å; I1239-C1250 HydrophobicContact CD1-CB 3.74Å; I1239-C1250 VanDerWaalsContact CD1-SG 3.56Å; L1242-C1250 HydrophobicContact CD2-CB 3.46Å; L1242-C1250 VanDerWaalsContact CD2-CB 3.46Å; I1244-C1250 HydrophobicContact CD1-CB 3.64Å; I1244-C1250 VanDerWaalsContact CD1-SG 3.58Å; I1244-C1250 HydrophobicContact CG1-CB 4.36Å
1251T88.9Confident84.2Confident95 Ų9555 Ų5558%0.58331%0.308SS*.EExtended strand (participates in β ladder)trans-135.5134.5172.255.90000110.4F1205 K1206F1205-T1251 CarbonylContact O-C 3.55Å; F1205-T1251 WeakPolarHBondContact O-CA 3.27Å; K1206-T1251 HydrophobicContact CB-CG2 3.93Å; K1206-T1251 HydrophobicContact CG-CG2 3.9Å
1252E85.8Confident83.1Confident8 Ų860.9 Ų60.94%0.03734%0.336CS..EExtended strand (participates in β ladder)trans-127.4143.7-174.9-166.2167169.800110.7L1204 F1205 I1220 C1238 I1239 H1254L1204-E1252 CarbonylContact C-O 3.54Å; L1204-E1252 WeakPolarHBondContact CA-O 3.49Å; F1205-E1252 HydrophobicContact CD2-CB 4.07Å; F1205-E1252 HydrophobicContact CE1-CB 4.07Å; F1205-E1252 HydrophobicContact CE1-CG 4.32Å; F1205-E1252 HydrophobicContact CE2-CB 3.57Å; F1205-E1252 HydrophobicContact CE2-CG 4.34Å; F1205-E1252 HydrophobicContact CZ-CB 3.56Å; F1205-E1252 HydrophobicContact CZ-CG 3.88Å; F1205-E1252 VanDerWaalsContact CZ-OE2 3.28Å; F1205-E1252 WeakPolarHBondContact CZ-OE2 3.49Å; F1205-E1252 PolarHBondContact N-O 3.32Å; F1205-E1252 PolarHBondContact O-N 3.01Å; I1220-E1252 WeakPolarHBondContact CB-OE2 3.23Å; I1220-E1252 WeakPolarHBondContact CD1-OE2 3.45Å; C1238-E1252 WeakPolarHBondContact CA-OE1 3.36Å; I1239-E1252 VanDerWaalsContact CB-OE2 3.29Å; I1239-E1252 WeakPolarHBondContact CB-OE2 3.11Å; I1239-E1252 HydrophobicContact CD1-CB 3.74Å; I1239-E1252 HydrophobicContact CD1-CG 4.18Å; I1239-E1252 HydrophobicContact CG1-CB 4.11Å; I1239-E1252 HydrophobicContact CG1-CG 3.98Å; I1239-E1252 VanDerWaalsContact CG1-OE2 3.26Å; I1239-E1252 WeakPolarHBondContact CG1-OE2 3.2Å; I1239-E1252 PolarHBondContact N-OE1 2.82Å; I1239-E1252 PolarHBondContact N-OE2 3.32Å; E1252-H1254 IonicContact OE1-CE1 3.18Å; E1252-H1254 PolarHBondContact OE1-CE1 2.9Å; E1252-H1254 IonicContact OE1-NE2 2.68Å; E1252-H1254 PolarHBondContact OE1-NE2 3.29Å
1253C87Confident81.6Confident67 Ų6763.6 Ų63.645%0.45335%0.35SS..EExtended strand (participates in β ladder)trans-136.7112.7-174.7-168.40000111.4L1203 L1204L1203-C1253 CarbonylContact O-C 3.56Å; L1203-C1253 VanDerWaalsContact O-CA 3.29Å; L1203-C1253 WeakPolarHBondContact O-CA 3.41Å; L1204-C1253 HydrophobicContact CD1-CB 3.98Å
1254H86.6Confident80.5Confident8 Ų866.3 Ų66.34%0.03738%0.376CS..EExtended strand (participates in β ladder)trans-98.7139.8176.6-56.7-82.2000111.2L1202 L1203 F1205 L1222 E1252 L1256L1202-H1254 WeakPolarHBondContact CA-O 3.47Å; L1203-H1254 PolarHBondContact N-O 2.76Å; L1203-H1254 PolarHBondContact O-N 2.79Å; F1205-H1254 AromaticContact CE1-CD2 3.62Å; F1205-H1254 AromaticContact CE1-NE2 3.33Å; F1205-H1254 VanDerWaalsContact CE1-NE2 3.33Å; F1205-H1254 WeakPolarHBondContact CE1-NE2 3.24Å; F1205-H1254 AromaticContact CZ-NE2 3.79Å; L1222-H1254 HydrophobicContact CD2-CB 4.13Å; E1252-H1254 IonicContact OE1-CE1 3.18Å; E1252-H1254 PolarHBondContact OE1-CE1 2.9Å; E1252-H1254 IonicContact OE1-NE2 2.68Å; E1252-H1254 PolarHBondContact OE1-NE2 3.29Å; H1254-L1256 HydrophobicContact CB-CD2 4.2Å; H1254-L1256 HydrophobicContact CB-CG 4.36Å
1255M89.4Confident79.7Confident71 Ų7168.9 Ų68.935%0.3539%0.389SS..EExtended strand (participates in β ladder)trans-92.5118.7169.3-167.8-176.4-56.900109.5L1187 E1200 F1201 L1202 A1231L1187-M1255 HydrophobicContact CD2-CE 3.8Å; L1187-M1255 HydrophobicContact CD2-CG 4.03Å; L1187-M1255 HydrophobicContact CD2-SD 3.89Å; E1200-M1255 HydrophobicContact CB-CG 4.29Å; E1200-M1255 HydrophobicContact CB-SD 4.4Å; E1200-M1255 HydrophobicContact CG-SD 4.44Å; F1201-M1255 WeakPolarHBondContact O-CA 3.47Å; L1202-M1255 HydrophobicContact CD2-CB 3.99Å; L1202-M1255 HydrophobicContact CD2-CE 4.47Å; L1202-M1255 HydrophobicContact CD2-CG 4.08Å; A1231-M1255 HydrophobicContact CB-CB 4.33Å; A1231-M1255 HydrophobicContact CB-CG 4.14Å; A1231-M1255 HydrophobicContact CB-SD 4.23Å; A1231-M1255 PolarHBondContact N-O 2.95Å
1256L90.7Very high79.3Confident1 Ų171.7 Ų71.71%0.00540%0.402CS..EExtended strand (participates in β ladder)trans-118.6144.7-173.6-60.1-179.5000110E1200 F1201 L1203 L1222 V1224 I1228 S1229 C1230 H1254E1200-L1256 CarbonylContact C-O 2.77Å; E1200-L1256 WeakPolarHBondContact CA-O 3.46Å; F1201-L1256 HydrophobicContact CD1-CB 4.16Å; F1201-L1256 WeakPolarHBondContact CD1-O 3.42Å; F1201-L1256 HydrophobicContact CD2-CB 4.34Å; F1201-L1256 HydrophobicContact CE1-CB 3.64Å; F1201-L1256 HydrophobicContact CE2-CB 3.86Å; F1201-L1256 HydrophobicContact CE2-CD1 3.87Å; F1201-L1256 HydrophobicContact CE2-CG 4.42Å; F1201-L1256 HydrophobicContact CG-CB 4.49Å; F1201-L1256 HydrophobicContact CZ-CB 3.48Å; F1201-L1256 VanDerWaalsContact CZ-CB 3.48Å; F1201-L1256 HydrophobicContact CZ-CD1 3.93Å; F1201-L1256 HydrophobicContact CZ-CG 4.35Å; F1201-L1256 PolarHBondContact N-O 3.05Å; F1201-L1256 PolarHBondContact O-N 2.72Å; L1203-L1256 HydrophobicContact CB-CD1 3.86Å; L1203-L1256 HydrophobicContact CD2-CD1 4.16Å; L1222-L1256 HydrophobicContact CD2-CD2 4.25Å; V1224-L1256 HydrophobicContact CG1-CD2 4.17Å; I1228-L1256 HydrophobicContact CG2-CB 3.88Å; I1228-L1256 HydrophobicContact CG2-CD1 4.29Å; I1228-L1256 HydrophobicContact CG2-CD2 4.26Å; I1228-L1256 HydrophobicContact CG2-CG 4.37Å; S1229-L1256 WeakPolarHBondContact O-CA 3.39Å; C1230-L1256 HydrophobicContact CB-CD2 4.05Å; H1254-L1256 HydrophobicContact CB-CD2 4.2Å; H1254-L1256 HydrophobicContact CB-CG 4.36Å
1257L89.7Confident79.3Confident45 Ų4571.7 Ų71.724%0.23641%0.405CS..EExtended strand (participates in β ladder)trans-124.4122.5-178.2170.761000109.3E1200 I1228 S1229E1200-L1257 HydrophobicContact CG-CB 4.36Å; E1200-L1257 HydrophobicContact CG-CD1 4.2Å; I1228-L1257 WeakPolarHBondContact CA-O 3.37Å; S1229-L1257 PolarHBondContact N-O 2.87Å; S1229-L1257 PolarHBondContact O-N 2.7Å; S1229-L1257 PolarHBondContact OG-O 2.99Å
1258L86.2Confident79.3Confident6 Ų667.6 Ų67.63%0.03138%0.376CS..EExtended strand (participates in β ladder)trans-82121.9171.7178.362.5000109.9L1195 V1197 N1198 I1228 I1268 V1304L1195-L1258 HydrophobicContact CB-CD2 3.73Å; L1195-L1258 HydrophobicContact CD1-CD2 4.29Å; V1197-L1258 HydrophobicContact CG2-CD2 4.22Å; N1198-L1258 VanDerWaalsContact CA-O 3.31Å; N1198-L1258 WeakPolarHBondContact CA-O 3.24Å; N1198-L1258 PolarHBondContact N-O 2.79Å; I1228-L1258 HydrophobicContact CG1-CD1 4.47Å; L1258-I1268 HydrophobicContact CD1-CD1 4.06Å; L1258-V1304 HydrophobicContact CD2-CB 4.3Å; L1258-V1304 HydrophobicContact CD2-CG1 3.65Å; L1258-V1304 HydrophobicContact CD2-CG2 3.75Å
1259T79.5Confident79.1Confident55 Ų5566.4 Ų66.434%0.33737%0.372SS..PPolyproline II helixtrans-93.8149-179.461.20000112.6E1227E1227-T1259 PolarHBondContact O-N 3.08Å; E1227-T1259 PolarHBondContact O-OG1 3.4Å
1260E69.5Low79Confident133 Ų13364.6 Ų64.662%0.62136%0.359SS*.PPolyproline II helixtrans-79.4127.4177-164.4159.4-163.900111.6V1197 N1198V1197-E1260 HydrophobicContact CG1-CB 3.47Å; V1197-E1260 VanDerWaalsContact CG1-CB 3.47Å; V1197-E1260 HydrophobicContact CG1-CG 3.74Å; N1198-E1260 PolarHBondContact ND2-OE2 3.25Å; N1198-E1260 PolarHBondContact OD1-N 3.43Å
1261T60.2Low79Confident62 Ų6265 Ų6538%0.3837%0.365SS..  trans-115.1168.717477.80000110.8E1227 N1263E1227-T1261 HydrophobicContact CB-CG2 4.48Å; E1227-T1261 HydrophobicContact CG-CG2 4.15Å; T1261-N1263 PolarHBondContact O-N 2.93Å; T1261-N1263 VanDerWaalsContact O-N 3.08Å; T1261-N1263 PolarHBondContact OG1-O 3.02Å
1262M53.8Low79Confident194 Ų19461 Ų6196%0.95634%0.341SS*.SBendtrans-61.6-16.7-179.5-67.2-70.2178.400114.1
1263N52.5Low79.1Confident123 Ų12360.7 Ų60.766%0.65834%0.34SS*.SBendtrans-107.8130.9179.4-65.8-20.6000109.9T1261 L1265T1261-N1263 PolarHBondContact O-N 2.93Å; T1261-N1263 VanDerWaalsContact O-N 3.08Å; T1261-N1263 PolarHBondContact OG1-O 3.02Å; N1263-L1265 HydrophobicContact CB-CD1 4.27Å; N1263-L1265 WeakPolarHBondContact O-CD1 3.37Å; N1263-L1265 PolarHBondContact O-N 2.83Å
1264S61.8Low79Confident124 Ų12458.3 Ų58.387%0.86732%0.322SS*.  trans-71.994.3172.354.80000110.6
1265L68Low79.1Confident56 Ų5657.9 Ų57.929%0.29332%0.321SS..  trans-68.4138.8171.8-90.867.3000110.9E1227 N1263 I1268E1227-L1265 HydrophobicContact CG-CD2 4.42Å; N1263-L1265 HydrophobicContact CB-CD1 4.27Å; N1263-L1265 WeakPolarHBondContact O-CD1 3.37Å; N1263-L1265 PolarHBondContact O-N 2.83Å; L1265-I1268 HydrophobicContact CD2-CB 4.49Å; L1265-I1268 HydrophobicContact CD2-CD1 4.44Å
1266E78.1Confident78.9Confident168 Ų16856.3 Ų56.379%0.78531%0.312SS*.SBendtrans-93.9-28.4171.1-63.1-174.1166.600112.3P1303 V1304E1266-P1303 CarbonylContact O-C 2.9Å; E1266-P1303 WeakPolarHBondContact O-CA 3.2Å; E1266-V1304 PolarHBondContact O-N 3.01Å
1267A85.2Confident78.8Confident52 Ų5256.3 Ų56.343%0.4331%0.312SS..EExtended strand (participates in β ladder)trans-155.5161.1178.200000113.1T1301 I1302A1267-T1301 HydrophobicContact CB-CG2 4.47Å; A1267-I1302 CarbonylContact C-O 3.53Å; A1267-I1302 WeakPolarHBondContact CA-O 3.45Å; A1267-I1302 WeakPolarHBondContact CB-O 3.42Å
1268I85.1Confident78.5Confident9 Ų954.2 Ų54.25%0.04630%0.301CS..EExtended strand (participates in β ladder)trans-149146.5-173.4-173.2162.6000112.5L1195 A1225 E1227 I1228 L1258 L1265 T1301 I1302 V1304L1195-I1268 HydrophobicContact CD1-CG2 4Å; A1225-I1268 HydrophobicContact CB-CG1 4.43Å; E1227-I1268 HydrophobicContact CB-CD1 3.71Å; E1227-I1268 HydrophobicContact CG-CD1 4.34Å; I1228-I1268 HydrophobicContact CD1-CD1 4.03Å; I1228-I1268 HydrophobicContact CD1-CG1 4.32Å; I1228-I1268 HydrophobicContact CG1-CD1 3.72Å; L1258-I1268 HydrophobicContact CD1-CD1 4.06Å; L1265-I1268 HydrophobicContact CD2-CB 4.49Å; L1265-I1268 HydrophobicContact CD2-CD1 4.44Å; I1268-T1301 CarbonylContact O-C 3.21Å; I1268-T1301 VanDerWaalsContact O-CA 3.23Å; I1268-T1301 WeakPolarHBondContact O-CA 3.12Å; I1268-T1301 WeakPolarHBondContact O-CG2 3.5Å; I1268-I1302 PolarHBondContact N-O 2.99Å; I1268-I1302 PolarHBondContact O-N 2.88Å; I1268-V1304 HydrophobicContact CG2-CG2 4.02Å
1269N87.2Confident78Confident66 Ų6654.7 Ų54.735%0.35330%0.302SS..EExtended strand (participates in β ladder)trans-91.2151.5173.4-176.3-94.5000111.7A1225 G1271 L1299 P1300 T1301A1225-N1269 WeakPolarHBondContact CB-O 3.44Å; N1269-G1271 PolarHBondContact OD1-N 3.5Å; N1269-L1299 PolarHBondContact ND2-O 3.07Å; N1269-P1300 PolarHBondContact ND2-O 3.35Å; N1269-P1300 VanDerWaalsContact ND2-O 3.11Å; N1269-T1301 PolarHBondContact ND2-OG1 3.26Å
1270L86.4Confident77.2Confident2 Ų252.6 Ų52.61%0.0129%0.291CS..  trans-87.2-24.5-177.8-73.6-174000116L1184 F1201 L1203 V1224 I1228 L1299 P1300 I1302L1184-L1270 HydrophobicContact CD1-CD1 4.29Å; L1184-L1270 HydrophobicContact CD2-CD1 4.08Å; F1201-L1270 HydrophobicContact CE2-CD2 4.38Å; F1201-L1270 HydrophobicContact CZ-CD2 4.38Å; L1203-L1270 HydrophobicContact CD1-CD1 4.12Å; L1203-L1270 HydrophobicContact CD2-CD1 4.45Å; V1224-L1270 WeakPolarHBondContact CA-O 3.46Å; I1228-L1270 HydrophobicContact CD1-CD2 3.73Å; L1270-L1299 HydrophobicContact CB-CB 3.68Å; L1270-L1299 HydrophobicContact CB-CD1 4.07Å; L1270-P1300 HydrophobicContact CD1-CG 4.27Å; L1270-P1300 PolarHBondContact N-O 3.37Å; L1270-I1302 HydrophobicContact CD1-CD1 3.89Å; L1270-I1302 HydrophobicContact CD2-CD1 3.65Å; L1270-I1302 HydrophobicContact CG-CD1 3.7Å
1271G88.4Confident77Confident19 Ų1950.2 Ų50.220%0.19629%0.289CS..  trans104.8-131.7-178.400000115.6E1223 N1269 L1299E1223-G1271 CarbonylContact O-C 3.6Å; E1223-G1271 VanDerWaalsContact O-CA 3.28Å; E1223-G1271 WeakPolarHBondContact O-CA 3.28Å; N1269-G1271 PolarHBondContact OD1-N 3.5Å; G1271-L1299 WeakPolarHBondContact O-CB 3.15Å; G1271-L1299 PolarHBondContact O-N 2.87Å
1272S88.8Confident76.8Confident12 Ų1248.5 Ų48.58%0.08428%0.279CS..EExtended strand (participates in β ladder)trans-153160.6-167.999.90000114.8E1223 K1296 F1297E1223-S1272 PolarHBondContact N-O 2.73Å; E1223-S1272 PolarHBondContact O-N 3.28Å; E1223-S1272 PolarHBondContact OE2-OG 2.75Å; S1272-K1296 WeakPolarHBondContact OG-CE 3.45Å; S1272-K1296 PolarHBondContact OG-NZ 2.85Å; S1272-F1297 WeakPolarHBondContact CA-O 3.17Å; S1272-F1297 VanDerWaalsContact CB-O 3.28Å; S1272-F1297 WeakPolarHBondContact CB-O 3.25Å
1273I86.7Confident76.8Confident1 Ų143.6 Ų43.61%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-122.1129.8-178.6-66.9172.7000109.9L1180 F1205 I1220 Q1221 L1222 V1275 K1296 F1297 L1299L1180-I1273 HydrophobicContact CD2-CD1 4.25Å; F1205-I1273 HydrophobicContact CB-CD1 4.46Å; F1205-I1273 HydrophobicContact CD1-CD1 3.51Å; F1205-I1273 HydrophobicContact CD2-CD1 4.28Å; F1205-I1273 HydrophobicContact CE1-CD1 3.6Å; F1205-I1273 HydrophobicContact CE1-CG1 4.34Å; F1205-I1273 HydrophobicContact CE2-CD1 4.39Å; F1205-I1273 HydrophobicContact CG-CD1 3.86Å; F1205-I1273 HydrophobicContact CZ-CD1 4.07Å; F1205-I1273 HydrophobicContact CZ-CG2 4.47Å; I1220-I1273 HydrophobicContact CG2-CG2 3.56Å; Q1221-I1273 WeakPolarHBondContact O-CA 3.27Å; L1222-I1273 HydrophobicContact CD1-CD1 4.46Å; L1222-I1273 HydrophobicContact CD1-CG1 3.78Å; I1273-V1275 HydrophobicContact CG2-CG2 4.4Å; I1273-K1296 CarbonylContact O-C 3.55Å; I1273-K1296 WeakPolarHBondContact O-CA 3.36Å; I1273-F1297 PolarHBondContact N-O 3.37Å; I1273-F1297 PolarHBondContact O-N 3.48Å; I1273-L1299 HydrophobicContact CD1-CD1 4.33Å; I1273-L1299 HydrophobicContact CD1-CD2 3.93Å; I1273-L1299 HydrophobicContact CD1-CG 4.45Å; I1273-L1299 HydrophobicContact CG1-CD1 4.14Å; I1273-L1299 HydrophobicContact CG1-CD2 4.41Å; I1273-L1299 HydrophobicContact CG1-CG 4.41Å
1274I86.1Confident76.7Confident17 Ų1743.9 Ų43.99%0.08725%0.251CS..EExtended strand (participates in β ladder)trans-115.3125.1174.6-55.8176.4000109.2I1220 Q1221 E1223 T1294 T1295 K1296I1220-I1274 CarbonylContact C-O 3.46Å; I1220-I1274 WeakPolarHBondContact CA-O 3.28Å; Q1221-I1274 HydrophobicContact CB-CB 4.31Å; Q1221-I1274 PolarHBondContact N-O 3.26Å; Q1221-I1274 PolarHBondContact O-N 2.9Å; E1223-I1274 WeakPolarHBondContact OE1-CD1 3.45Å; I1274-T1294 HydrophobicContact CG2-CG2 3.64Å; I1274-T1295 CarbonylContact C-O 3.22Å; I1274-T1295 WeakPolarHBondContact CA-O 3.12Å; I1274-K1296 HydrophobicContact CD1-CD 4.11Å; I1274-K1296 HydrophobicContact CG1-CB 4.41Å; I1274-K1296 HydrophobicContact CG1-CD 3.73Å; I1274-K1296 HydrophobicContact CG1-CG 3.88Å
1275V87.3Confident76Confident0 Ų041 Ų410%023%0.226CC..EExtended strand (participates in β ladder)trans-102.3120.2174.8-175.40000109F1178 L1207 I1217 I1220 I1273 W1277 T1294 T1295 F1297F1178-V1275 HydrophobicContact CD2-CG1 4.1Å; F1178-V1275 HydrophobicContact CE2-CG1 3.82Å; F1178-V1275 HydrophobicContact CZ-CG1 4.49Å; L1207-V1275 HydrophobicContact CD1-CG2 4.19Å; L1207-V1275 HydrophobicContact CD2-CG1 4.03Å; L1207-V1275 HydrophobicContact CD2-CG2 3.84Å; I1217-V1275 HydrophobicContact CD1-CG1 3.97Å; I1217-V1275 HydrophobicContact CG1-CG1 4.14Å; I1217-V1275 HydrophobicContact CG2-CG1 3.88Å; I1220-V1275 HydrophobicContact CD1-CG2 4.37Å; I1220-V1275 HydrophobicContact CG1-CG1 4.48Å; I1220-V1275 HydrophobicContact CG1-CG2 4.46Å; I1220-V1275 HydrophobicContact CG2-CG2 4.46Å; I1273-V1275 HydrophobicContact CG2-CG2 4.4Å; V1275-W1277 HydrophobicContact CG1-CB 4.46Å; V1275-T1294 CarbonylContact O-C 3.48Å; V1275-T1294 WeakPolarHBondContact O-CA 3.08Å; V1275-T1295 PolarHBondContact N-O 3.41Å; V1275-T1295 PolarHBondContact O-N 2.94Å; V1275-F1297 HydrophobicContact CG2-CD2 4.36Å; V1275-F1297 HydrophobicContact CG2-CE2 3.97Å
1276H85.6Confident75.3Confident37 Ų3744 Ų4417%0.17124%0.242CC..EExtended strand (participates in β ladder)trans-105.2123.5174.3-80.1-56.3000109I1217 H1218 D1219 Q1221 I1292 A1293 T1294I1217-H1276 CarbonylContact C-O 3.58Å; H1218-H1276 PolarHBondContact N-O 3.43Å; D1219-H1276 HydrophobicContact CB-CB 3.93Å; D1219-H1276 PolarHBondContact N-O 3.18Å; D1219-H1276 VanDerWaalsContact N-O 3.12Å; D1219-H1276 WeakPolarHBondContact O-CB 3.38Å; D1219-H1276 PolarHBondContact O-N 3Å; Q1221-H1276 PolarHBondContact NE2-CD2 3.05Å; H1276-I1292 HydrophobicContact CB-CG2 3.45Å; H1276-I1292 VanDerWaalsContact CB-CG2 3.45Å; H1276-A1293 CarbonylContact C-O 3.54Å; H1276-A1293 VanDerWaalsContact CA-O 3.31Å; H1276-A1293 WeakPolarHBondContact CA-O 3.35Å; H1276-T1294 PolarHBondContact CE1-OG1 2.77Å; H1276-T1294 VanDerWaalsContact CE1-OG1 3.29Å; H1276-T1294 PolarHBondContact ND1-OG1 2.81Å
1277W89.1Confident74.1Confident1 Ų143.9 Ų43.90%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-150.2170.6-16763.7-87.3000114.1L967 A968 E970 P1177 F1178 L1215 E1216 I1217 V1275 I1292 A1293 T1295L967-W1277 HydrophobicContact CB-CH2 3.61Å; L967-W1277 HydrophobicContact CB-CZ3 3.97Å; L967-W1277 HydrophobicContact CD1-CH2 4.33Å; L967-W1277 HydrophobicContact CD1-CZ3 3.89Å; L967-W1277 HydrophobicContact CG-CH2 4.5Å; A968-W1277 WeakPolarHBondContact O-CH2 3.15Å; A968-W1277 WeakPolarHBondContact O-CZ2 3.46Å; E970-W1277 HydrophobicContact CB-CH2 4.46Å; E970-W1277 HydrophobicContact CB-CZ3 4.42Å; P1177-W1277 HydrophobicContact CB-CD2 4.48Å; P1177-W1277 HydrophobicContact CB-CH2 4.18Å; P1177-W1277 HydrophobicContact CB-CZ2 3.86Å; P1177-W1277 HydrophobicContact CG-CH2 4.37Å; P1177-W1277 HydrophobicContact CG-CZ2 3.63Å; F1178-W1277 HydrophobicContact CE2-CB 3.98Å; F1178-W1277 AromaticContact CE2-CD1 3.66Å; F1178-W1277 AromaticContact CE2-CD2 3.98Å; F1178-W1277 HydrophobicContact CE2-CD2 3.98Å; F1178-W1277 AromaticContact CE2-CG 3.6Å; F1178-W1277 HydrophobicContact CE2-CG 3.6Å; F1178-W1277 HydrophobicContact CZ-CB 4.26Å; F1178-W1277 HydrophobicContact CZ-CG 4.28Å; L1215-W1277 HydrophobicContact CD1-CE3 4.5Å; E1216-W1277 CarbonylContact O-C 3.57Å; E1216-W1277 WeakPolarHBondContact O-CA 3.12Å; E1216-W1277 VanDerWaalsContact O-CB 3.31Å; E1216-W1277 WeakPolarHBondContact O-CB 3.09Å; I1217-W1277 HydrophobicContact CG1-CB 4.36Å; V1275-W1277 HydrophobicContact CG1-CB 4.46Å; W1277-I1292 CarbonylContact O-C 3.6Å; W1277-I1292 WeakPolarHBondContact O-CA 2.91Å; W1277-A1293 HydrophobicContact CD2-CB 3.6Å; W1277-A1293 HydrophobicContact CE3-CB 4Å; W1277-A1293 HydrophobicContact CG-CB 4.07Å; W1277-A1293 HydrophobicContact CH2-CB 3.83Å; W1277-A1293 HydrophobicContact CZ2-CB 3.5Å; W1277-A1293 VanDerWaalsContact CZ2-CB 3.5Å; W1277-A1293 HydrophobicContact CZ3-CB 4.1Å; W1277-A1293 PolarHBondContact N-O 3.34Å; W1277-A1293 WeakPolarHBondContact O-CA 2.94Å; W1277-A1293 VanDerWaalsContact O-CB 3.28Å; W1277-A1293 WeakPolarHBondContact O-CB 3.39Å; W1277-A1293 PolarHBondContact O-N 3.15Å; W1277-T1295 PolarHBondContact NE1-OG1 2.86Å; W1277-T1295 VanDerWaalsContact NE1-OG1 3.08Å
1278S82.4Confident72.2Confident1 Ų143.3 Ų43.31%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-152.6-171.2168.772.60000108.9L1215 E1216 H1218 T1282L1215-S1278 CarbonylContact C-O 3.4Å; L1215-S1278 WeakPolarHBondContact CA-O 3.35Å; E1216-S1278 PolarHBondContact N-O 2.89Å; E1216-S1278 PolarHBondContact O-N 2.8Å; H1218-S1278 VanDerWaalsContact NE2-CB 3.33Å; H1218-S1278 WeakPolarHBondContact NE2-CB 3.36Å; H1218-S1278 PolarHBondContact NE2-OG 2.89Å; S1278-T1282 WeakPolarHBondContact CB-OG1 3.33Å; S1278-T1282 PolarHBondContact OG-OG1 3.24Å
1279R77Confident70.7Confident16 Ų1650.4 Ų50.46%0.0627%0.267CS..EExtended strand (participates in β ladder)trans-80.6140.9164.3-71.6168.7-178.4-107.9-13.9109.5C965 I966 L967 E970 W1213 L1215 S1281 T1282C965-R1279 PolarHBondContact O-NH1 3.05Å; C965-R1279 VanDerWaalsContact O-NH1 3.14Å; C965-R1279 PolarHBondContact O-NH2 3.09Å; C965-R1279 VanDerWaalsContact O-NH2 3.09Å; I966-R1279 VanDerWaalsContact CA-NH2 3.27Å; I966-R1279 PolarHBondContact O-NH2 3.08Å; L967-R1279 HydrophobicContact CD1-CG 4.07Å; E970-R1279 IonicContact OE1-CZ 2.72Å; E970-R1279 IonicContact OE1-NE 2.69Å; E970-R1279 PolarHBondContact OE1-NE 2.64Å; E970-R1279 IonicContact OE1-NH2 3.7Å; E970-R1279 PolarHBondContact OE1-NH2 3.17Å; E970-R1279 WeakPolarHBondContact OE2-CD 3.43Å; E970-R1279 VanDerWaalsContact OE2-CG 3.32Å; E970-R1279 WeakPolarHBondContact OE2-CG 3.28Å; E970-R1279 IonicContact OE2-CZ 2.87Å; E970-R1279 IonicContact OE2-NE 2.71Å; E970-R1279 PolarHBondContact OE2-NE 2.82Å; W1213-R1279 VanDerWaalsContact CZ3-NH2 3.27Å; L1215-R1279 HydrophobicContact CD2-CG 4.39Å; R1279-S1281 WeakPolarHBondContact CB-OG 3.35Å; R1279-S1281 PolarHBondContact O-N 2.72Å; R1279-S1281 VanDerWaalsContact O-N 3.08Å; R1279-T1282 HydrophobicContact CB-CG2 4.19Å; R1279-T1282 PolarHBondContact O-N 3.14Å; R1279-T1282 PolarHBondContact O-OG1 3.43Å
1280A61.5Low69.5Low12 Ų1247.9 Ų47.910%0.09925%0.254CS..G310 helixtrans-53.1-33.4170.400000112.4E1214 E1216 I1243 T1282 R1283E1214-A1280 HydrophobicContact CB-CB 3.74Å; E1214-A1280 WeakPolarHBondContact O-CB 3.1Å; E1214-A1280 PolarHBondContact O-N 3.39Å; E1216-A1280 HydrophobicContact CB-CB 4.46Å; I1243-A1280 HydrophobicContact CB-CB 4.3Å; I1243-A1280 HydrophobicContact CD1-CB 3.83Å; I1243-A1280 HydrophobicContact CG1-CB 3.7Å; I1243-A1280 HydrophobicContact CG2-CB 3.69Å; A1280-T1282 PolarHBondContact O-N 2.95Å; A1280-T1282 VanDerWaalsContact O-N 3.17Å; A1280-R1283 PolarHBondContact O-N 2.83Å
1281S66Low68.5Low83 Ų8351.2 Ų51.258%0.5827%0.267SS*.G310 helixtrans-67.6-7175.168.20000115.3R1279R1279-S1281 WeakPolarHBondContact CB-OG 3.35Å; R1279-S1281 PolarHBondContact O-N 2.72Å; R1279-S1281 VanDerWaalsContact O-N 3.08Å
1282T56.9Low67.8Low26 Ų2652.9 Ų52.916%0.1627%0.271CS..G310 helixtrans-101.4-6.1178.959.20000114.5S1278 R1279 A1280 N1284S1278-T1282 WeakPolarHBondContact CB-OG1 3.33Å; S1278-T1282 PolarHBondContact OG-OG1 3.24Å; R1279-T1282 HydrophobicContact CB-CG2 4.19Å; R1279-T1282 PolarHBondContact O-N 3.14Å; R1279-T1282 PolarHBondContact O-OG1 3.43Å; A1280-T1282 PolarHBondContact O-N 2.95Å; A1280-T1282 VanDerWaalsContact O-N 3.17Å; T1282-N1284 PolarHBondContact O-N 3.4Å
1283R52.2Low67.3Low90 Ų9052.3 Ų52.334%0.3427%0.267SS..G310 helixtrans-65.8-15.5172.7-156.3-177.9179.8158.4-10.2113.9E1216 N1241 A1280 D1285 D1286E1216-R1283 VanDerWaalsContact OE1-CD 3.28Å; E1216-R1283 WeakPolarHBondContact OE1-CD 3.3Å; E1216-R1283 IonicContact OE1-CZ 2.69Å; E1216-R1283 IonicContact OE1-NE 2.76Å; E1216-R1283 PolarHBondContact OE1-NE 3.08Å; E1216-R1283 IonicContact OE1-NH1 3.8Å; E1216-R1283 PolarHBondContact OE1-NH1 2.78Å; E1216-R1283 WeakPolarHBondContact OE2-CB 3.38Å; E1216-R1283 WeakPolarHBondContact OE2-CD 3.42Å; E1216-R1283 WeakPolarHBondContact OE2-CG 3.27Å; N1241-R1283 PolarHBondContact O-NH1 3.02Å; N1241-R1283 VanDerWaalsContact O-NH1 3.09Å; A1280-R1283 PolarHBondContact O-N 2.83Å; R1283-D1285 PolarHBondContact O-N 2.76Å; R1283-D1285 VanDerWaalsContact O-N 3.08Å; R1283-D1286 PolarHBondContact O-N 3.12Å
1284N51.6Low67.1Low130 Ų13055.3 Ų55.370%0.69529%0.285SS*.G310 helixtrans-68.6-2-173.5-80.7-12.3000116.1T1282T1282-N1284 PolarHBondContact O-N 3.4Å
1285D47.7Very low66.9Low62 Ų6256.3 Ų56.333%0.33229%0.292SS..G310 helixtrans-131.351.7174.8-89.9-62.6000111.3N975 R1283 N1287 I1288N975-D1285 PolarHBondContact ND2-OD2 2.95Å; R1283-D1285 PolarHBondContact O-N 2.76Å; R1283-D1285 VanDerWaalsContact O-N 3.08Å; D1285-N1287 PolarHBondContact O-N 3.25Å; D1285-I1288 PolarHBondContact O-N 3.45Å
1286D52.6Low66.7Low120 Ų12061.5 Ų61.564%0.64232%0.315SS*.G310 helixtrans-41.8-32.3-179.2-106.9-31.2000115.4R1283 I1288R1283-D1286 PolarHBondContact O-N 3.12Å; D1286-I1288 PolarHBondContact O-N 3.09Å
1287N52.9Low66.8Low165 Ų16562.2 Ų62.288%0.88232%0.317SS*.G310 helixtrans-58.9-25.9177.7-103.1-23.6000113.4D1285D1285-N1287 PolarHBondContact O-N 3.25Å
1288I43.8Very low66.6Low40 Ų4066 Ų6621%0.20535%0.349CS..G310 helixtrans-125.768.6-175-69.4175.4000108I1036 S1038 D1285 D1286I1036-I1288 HydrophobicContact CB-CD1 3.46Å; I1036-I1288 VanDerWaalsContact CB-CD1 3.46Å; I1036-I1288 HydrophobicContact CB-CG2 4.21Å; I1036-I1288 HydrophobicContact CD1-CD1 3.5Å; I1036-I1288 VanDerWaalsContact CD1-CD1 3.5Å; I1036-I1288 HydrophobicContact CG1-CD1 3.58Å; I1036-I1288 HydrophobicContact CG2-CD1 3.78Å; S1038-I1288 WeakPolarHBondContact OG-CG2 3.34Å; D1285-I1288 PolarHBondContact O-N 3.45Å; D1286-I1288 PolarHBondContact O-N 3.09Å
1289K54.1Low66.9Low159 Ų15966.7 Ų66.769%0.69135%0.353SS*.  trans-11.1103.8-176.4-163.7174.4-171.9179.40112.2
1290P61.8Low67.4Low13 Ų1367.5 Ų67.58%0.08436%0.36CS..  trans-53.9143.4-171.421.1-33.3000110.2I1292P1290-I1292 WeakPolarHBondContact O-CG1 3.37Å; P1290-I1292 PolarHBondContact O-N 2.82Å
1291Y65.8Low68.7Low71 Ų7171.3 Ų71.328%0.27838%0.382SS..  trans-69.5112.6-169.5179.8-102.4000110.7N969 I971 I1041 A1293N969-Y1291 VanDerWaalsContact O-CE1 3.23Å; N969-Y1291 WeakPolarHBondContact O-CE1 3.39Å; I971-Y1291 HydrophobicContact CB-CD1 4.06Å; I971-Y1291 HydrophobicContact CB-CG 3.9Å; I971-Y1291 HydrophobicContact CD1-CD1 4.12Å; I971-Y1291 HydrophobicContact CD1-CD2 3.44Å; I971-Y1291 VanDerWaalsContact CD1-CD2 3.44Å; I971-Y1291 HydrophobicContact CD1-CE2 3.99Å; I971-Y1291 HydrophobicContact CD1-CG 3.5Å; I971-Y1291 VanDerWaalsContact CD1-CG 3.5Å; I971-Y1291 HydrophobicContact CG1-CD1 3.67Å; I971-Y1291 HydrophobicContact CG1-CD2 3.97Å; I971-Y1291 HydrophobicContact CG1-CE1 4.13Å; I971-Y1291 HydrophobicContact CG1-CE2 4.45Å; I971-Y1291 HydrophobicContact CG1-CG 3.52Å; I971-Y1291 VanDerWaalsContact N-CD1 3.29Å; I1041-Y1291 HydrophobicContact CD1-CD2 4.12Å; I1041-Y1291 HydrophobicContact CG1-CD2 4.1Å; Y1291-A1293 PolarHBondContact O-N 2.97Å; Y1291-A1293 VanDerWaalsContact O-N 3.12Å
1292I73.8Confident69.8Low54 Ų5467.9 Ų67.928%0.27736%0.357SS..  trans-81.695.2-174-51.8-167000108.9H1218 H1276 W1277 P1290H1218-I1292 HydrophobicContact CB-CD1 4.16Å; H1218-I1292 HydrophobicContact CB-CG2 4.37Å; H1276-I1292 HydrophobicContact CB-CG2 3.45Å; H1276-I1292 VanDerWaalsContact CB-CG2 3.45Å; W1277-I1292 CarbonylContact O-C 3.6Å; W1277-I1292 WeakPolarHBondContact O-CA 2.91Å; P1290-I1292 WeakPolarHBondContact O-CG1 3.37Å; P1290-I1292 PolarHBondContact O-N 2.82Å
1293A78.5Confident71.4Confident1 Ų169.7 Ų69.71%0.00837%0.369CS..EExtended strand (participates in β ladder)trans-54.8154163.700000110.4N969 H1276 W1277 Y1291N969-A1293 VanDerWaalsContact O-CA 3.27Å; N969-A1293 WeakPolarHBondContact O-CA 3.33Å; N969-A1293 WeakPolarHBondContact O-CB 3.46Å; H1276-A1293 CarbonylContact C-O 3.54Å; H1276-A1293 VanDerWaalsContact CA-O 3.31Å; H1276-A1293 WeakPolarHBondContact CA-O 3.35Å; W1277-A1293 HydrophobicContact CD2-CB 3.6Å; W1277-A1293 HydrophobicContact CE3-CB 4Å; W1277-A1293 HydrophobicContact CG-CB 4.07Å; W1277-A1293 HydrophobicContact CH2-CB 3.83Å; W1277-A1293 HydrophobicContact CZ2-CB 3.5Å; W1277-A1293 VanDerWaalsContact CZ2-CB 3.5Å; W1277-A1293 HydrophobicContact CZ3-CB 4.1Å; W1277-A1293 PolarHBondContact N-O 3.34Å; W1277-A1293 WeakPolarHBondContact O-CA 2.94Å; W1277-A1293 VanDerWaalsContact O-CB 3.28Å; W1277-A1293 WeakPolarHBondContact O-CB 3.39Å; W1277-A1293 PolarHBondContact O-N 3.15Å; Y1291-A1293 PolarHBondContact O-N 2.97Å; Y1291-A1293 VanDerWaalsContact O-N 3.12Å
1294T81.6Confident73.1Confident63 Ų6366.4 Ų66.439%0.38736%0.359SS..EExtended strand (participates in β ladder)trans-138.3142.3-175-54.90000111.6I1274 V1275 H1276I1274-T1294 HydrophobicContact CG2-CG2 3.64Å; V1275-T1294 CarbonylContact O-C 3.48Å; V1275-T1294 WeakPolarHBondContact O-CA 3.08Å; H1276-T1294 PolarHBondContact CE1-OG1 2.77Å; H1276-T1294 VanDerWaalsContact CE1-OG1 3.29Å; H1276-T1294 PolarHBondContact ND1-OG1 2.81Å
1295T82.5Confident74.8Confident38 Ų3862.9 Ų62.923%0.23334%0.34CS..EExtended strand (participates in β ladder)trans-148.7148.4-176.5-57.60000109.4I1274 V1275 W1277 F1297I1274-T1295 CarbonylContact C-O 3.22Å; I1274-T1295 WeakPolarHBondContact CA-O 3.12Å; V1275-T1295 PolarHBondContact N-O 3.41Å; V1275-T1295 PolarHBondContact O-N 2.94Å; W1277-T1295 PolarHBondContact NE1-OG1 2.86Å; W1277-T1295 VanDerWaalsContact NE1-OG1 3.08Å; T1295-F1297 HydrophobicContact CG2-CE2 4.14Å; T1295-F1297 HydrophobicContact CG2-CZ 4.2Å
1296K83.3Confident76.4Confident110 Ų11064.5 Ų64.548%0.47836%0.356SS..EExtended strand (participates in β ladder)trans-141.3142.9-170.5-172.2165-167.71650114.1E1223 S1272 I1273 I1274E1223-K1296 IonicContact OE1-NZ 3.98Å; E1223-K1296 PolarHBondContact OE1-NZ 3.04Å; E1223-K1296 IonicContact OE2-NZ 2.8Å; E1223-K1296 PolarHBondContact OE2-NZ 3.25Å; S1272-K1296 WeakPolarHBondContact OG-CE 3.45Å; S1272-K1296 PolarHBondContact OG-NZ 2.85Å; I1273-K1296 CarbonylContact O-C 3.55Å; I1273-K1296 WeakPolarHBondContact O-CA 3.36Å; I1274-K1296 HydrophobicContact CD1-CD 4.11Å; I1274-K1296 HydrophobicContact CG1-CB 4.41Å; I1274-K1296 HydrophobicContact CG1-CD 3.73Å; I1274-K1296 HydrophobicContact CG1-CG 3.88Å
1297F87Confident78.1Confident51 Ų5160.5 Ų60.522%0.22434%0.335CS..EExtended strand (participates in β ladder)trans-135.5168.7-179.1-53.2-88.5000111.4F1178 L1180 L1207 S1272 I1273 V1275 T1295F1178-F1297 HydrophobicContact CB-CZ 4.48Å; L1180-F1297 HydrophobicContact CB-CD1 4Å; L1180-F1297 HydrophobicContact CB-CD2 4.49Å; L1180-F1297 HydrophobicContact CB-CE1 3.98Å; L1180-F1297 HydrophobicContact CB-CE2 4.47Å; L1180-F1297 HydrophobicContact CB-CG 4.26Å; L1180-F1297 HydrophobicContact CB-CZ 4.22Å; L1180-F1297 HydrophobicContact CD2-CB 3.41Å; L1180-F1297 VanDerWaalsContact CD2-CB 3.41Å; L1180-F1297 HydrophobicContact CD2-CD1 3.99Å; L1180-F1297 HydrophobicContact CD2-CD2 3.91Å; L1180-F1297 HydrophobicContact CD2-CG 3.53Å; L1180-F1297 HydrophobicContact CG-CG 4.5Å; L1207-F1297 HydrophobicContact CD1-CE2 3.76Å; L1207-F1297 HydrophobicContact CD1-CZ 4.01Å; S1272-F1297 WeakPolarHBondContact CA-O 3.17Å; S1272-F1297 VanDerWaalsContact CB-O 3.28Å; S1272-F1297 WeakPolarHBondContact CB-O 3.25Å; I1273-F1297 PolarHBondContact N-O 3.37Å; I1273-F1297 PolarHBondContact O-N 3.48Å; V1275-F1297 HydrophobicContact CG2-CD2 4.36Å; V1275-F1297 HydrophobicContact CG2-CE2 3.97Å; T1295-F1297 HydrophobicContact CG2-CE2 4.14Å; T1295-F1297 HydrophobicContact CG2-CZ 4.2Å
1298A86.4Confident79.7Confident81 Ų8153.4 Ų53.467%0.66930%0.298SS*.EExtended strand (participates in β ladder)trans-133.5157.8-174.400000114.4
1299L88.9Confident81.8Confident15 Ų1551.6 Ų51.68%0.07929%0.288CS..  trans-122.1161.5-167.2-61.8177000115Y1182 L1203 L1222 N1269 L1270 G1271 I1273Y1182-L1299 HydrophobicContact CD1-CD2 4.42Å; L1203-L1299 HydrophobicContact CD2-CD1 3.98Å; L1222-L1299 HydrophobicContact CD1-CD1 3.54Å; N1269-L1299 PolarHBondContact ND2-O 3.07Å; L1270-L1299 HydrophobicContact CB-CB 3.68Å; L1270-L1299 HydrophobicContact CB-CD1 4.07Å; G1271-L1299 WeakPolarHBondContact O-CB 3.15Å; G1271-L1299 PolarHBondContact O-N 2.87Å; I1273-L1299 HydrophobicContact CD1-CD1 4.33Å; I1273-L1299 HydrophobicContact CD1-CD2 3.93Å; I1273-L1299 HydrophobicContact CD1-CG 4.45Å; I1273-L1299 HydrophobicContact CG1-CD1 4.14Å; I1273-L1299 HydrophobicContact CG1-CD2 4.41Å; I1273-L1299 HydrophobicContact CG1-CG 4.41Å
1300P86.2Confident83.5Confident34 Ų3446.6 Ų46.622%0.22127%0.268CS..  trans-87.6-173.8-170.238.7-44.4000116Y1182 N1269 L1270Y1182-P1300 HydrophobicContact CE2-CG 3.59Å; Y1182-P1300 WeakPolarHBondContact OH-CG 3.37Å; N1269-P1300 PolarHBondContact ND2-O 3.35Å; N1269-P1300 VanDerWaalsContact ND2-O 3.11Å; L1270-P1300 HydrophobicContact CD1-CG 4.27Å; L1270-P1300 PolarHBondContact N-O 3.37Å
1301T88.3Confident84.9Confident91 Ų9146.1 Ų46.156%0.55826%0.264SS*.EExtended strand (participates in β ladder)trans-120.5140.9-176.3-55.40000112.3A1267 I1268 N1269A1267-T1301 HydrophobicContact CB-CG2 4.47Å; I1268-T1301 CarbonylContact O-C 3.21Å; I1268-T1301 VanDerWaalsContact O-CA 3.23Å; I1268-T1301 WeakPolarHBondContact O-CA 3.12Å; I1268-T1301 WeakPolarHBondContact O-CG2 3.5Å; N1269-T1301 PolarHBondContact ND2-OG1 3.26Å
1302I89.3Confident85.9Confident11 Ų1144.8 Ų44.86%0.05627%0.265CS..EExtended strand (participates in β ladder)trans-139.5143.7-164.9-49.2158.3000111.3L1184 L1195 A1267 I1268 L1270L1184-I1302 HydrophobicContact CD1-CD1 3.47Å; L1184-I1302 VanDerWaalsContact CD1-CD1 3.47Å; L1184-I1302 HydrophobicContact CD1-CG1 4.01Å; L1184-I1302 HydrophobicContact CD2-CD1 4.25Å; L1195-I1302 HydrophobicContact CD1-CD1 4.48Å; L1195-I1302 HydrophobicContact CD2-CG2 4.45Å; L1195-I1302 HydrophobicContact CG-CG2 4.03Å; A1267-I1302 CarbonylContact C-O 3.53Å; A1267-I1302 WeakPolarHBondContact CA-O 3.45Å; A1267-I1302 WeakPolarHBondContact CB-O 3.42Å; I1268-I1302 PolarHBondContact N-O 2.99Å; I1268-I1302 PolarHBondContact O-N 2.88Å; L1270-I1302 HydrophobicContact CD1-CD1 3.89Å; L1270-I1302 HydrophobicContact CD2-CD1 3.65Å; L1270-I1302 HydrophobicContact CG-CD1 3.7Å
1303P91.3Very high86.7Confident64 Ų6443.1 Ų43.142%0.41626%0.26SS..EExtended strand (participates in β ladder)trans-78.5162.1175.931.4-36.2000115.4K1193 S1194 L1195 E1266K1193-P1303 WeakPolarHBondContact O-CG 3.46Å; S1194-P1303 CarbonylContact C-O 3.55Å; S1194-P1303 VanDerWaalsContact CA-O 3.29Å; S1194-P1303 WeakPolarHBondContact CA-O 3.37Å; L1195-P1303 PolarHBondContact N-O 3.31Å; E1266-P1303 CarbonylContact O-C 2.9Å; E1266-P1303 WeakPolarHBondContact O-CA 3.2Å
1304V88.5Confident87.3Confident21 Ų2148.6 Ų48.613%0.12729%0.285CS..EExtended strand (participates in β ladder)trans-123.8151.2-171.1174.50000112.8L1195 V1197 L1258 E1266 I1268L1195-V1304 CarbonylContact O-C 3.48Å; L1195-V1304 WeakPolarHBondContact O-CA 3.39Å; V1197-V1304 HydrophobicContact CG2-CG1 3.66Å; L1258-V1304 HydrophobicContact CD2-CB 4.3Å; L1258-V1304 HydrophobicContact CD2-CG1 3.65Å; L1258-V1304 HydrophobicContact CD2-CG2 3.75Å; E1266-V1304 PolarHBondContact O-N 3.01Å; I1268-V1304 HydrophobicContact CG2-CG2 4.02Å
1305L86.4Confident87.8Confident56 Ų5647.7 Ų47.729%0.29328%0.278SS..EExtended strand (participates in β ladder)trans-136.7142.7178.2-63.8176.1000112.9S1194 L1195 I1196 V1197S1194-L1305 VanDerWaalsContact OG-CD1 3.26Å; S1194-L1305 WeakPolarHBondContact OG-CD1 3.4Å; L1195-L1305 PolarHBondContact O-N 3.41Å; I1196-L1305 WeakPolarHBondContact CA-O 3.34Å; I1196-L1305 HydrophobicContact CG1-CB 4.41Å; V1197-L1305 WeakPolarHBondContact CG2-O 3.34Å; V1197-L1305 PolarHBondContact N-O 3.04Å
1306S81.8Confident88.2Confident96 Ų9648.2 Ų48.267%0.67128%0.282SS*.  trans-115.5144.2168.560.40000111.5
1307L88.2Confident88.4Confident36 Ų3647.5 Ų47.519%0.18830%0.297CS..  trans-129.9142.4-172.5-62176.7000111.4I1196 I1309 L1413 N1416 L1417I1196-L1307 HydrophobicContact CD1-CD1 4.06Å; I1196-L1307 HydrophobicContact CG2-CD1 3.87Å; I1196-L1307 HydrophobicContact CG2-CG 4.2Å; L1307-I1309 VanDerWaalsContact C-N 3.31Å; L1307-I1309 PolarHBondContact O-N 3.24Å; L1307-L1413 HydrophobicContact CD2-CD1 4.01Å; L1307-N1416 HydrophobicContact CD1-CB 4.21Å; L1307-N1416 WeakPolarHBondContact CD1-O 3.39Å; L1307-N1416 HydrophobicContact CD2-CB 4.06Å; L1307-L1417 HydrophobicContact CB-CD2 4.2Å; L1307-L1417 HydrophobicContact CD1-CD2 4.28Å
1308P85.9Confident88.6Confident17 Ų1751.4 Ų51.411%0.1131%0.311CS..SBendtrans-74.7-20-173.630.5-36.5000114.1K1334 T1335 L1392 Y1395P1308-K1334 PolarHBondContact O-N 2.87Å; P1308-T1335 HydrophobicContact CB-CG2 3.95Å; P1308-L1392 HydrophobicContact CG-CD1 3.89Å; P1308-Y1395 HydrophobicContact CB-CE2 4.17Å; P1308-Y1395 WeakPolarHBondContact CB-OH 3.18Å; P1308-Y1395 HydrophobicContact CG-CE2 4.07Å
1309I88.5Confident88.8Confident1 Ų147.7 Ų47.71%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-137.2144.4176.8-73.7156.9000106.8L1307 I1311 S1332 Q1339 L1363 L1392 L1417L1307-I1309 VanDerWaalsContact C-N 3.31Å; L1307-I1309 PolarHBondContact O-N 3.24Å; I1309-I1311 HydrophobicContact CG2-CD1 4.49Å; I1309-I1311 HydrophobicContact CG2-CG1 3.9Å; I1309-S1332 CarbonylContact C-O 3.58Å; I1309-S1332 VanDerWaalsContact CA-O 3.27Å; I1309-S1332 WeakPolarHBondContact CA-O 3.23Å; I1309-Q1339 HydrophobicContact CD1-CB 4.06Å; I1309-Q1339 HydrophobicContact CD1-CG 4.27Å; I1309-L1363 HydrophobicContact CD1-CD1 3.75Å; I1309-L1363 HydrophobicContact CG1-CD1 4.18Å; I1309-L1363 HydrophobicContact CG2-CD1 4.4Å; I1309-L1392 HydrophobicContact CD1-CD1 3.92Å; I1309-L1392 HydrophobicContact CD1-CD2 3.44Å; I1309-L1392 VanDerWaalsContact CD1-CD2 3.44Å; I1309-L1392 HydrophobicContact CD1-CG 4.33Å; I1309-L1417 HydrophobicContact CB-CD2 4.38Å; I1309-L1417 WeakPolarHBondContact O-CD2 3.07Å
1310Q88.5Confident89Confident55 Ų5549.1 Ų49.126%0.25729%0.29SS..EExtended strand (participates in β ladder)trans-106.1137.5167.8-174.6175.422.700108.8N1198 S1332 K1334N1198-Q1310 PolarHBondContact O-NE2 2.93Å; Q1310-S1332 PolarHBondContact N-O 3.43Å; Q1310-S1332 PolarHBondContact O-N 3.5Å; Q1310-K1334 VanDerWaalsContact CB-CE 3.47Å; Q1310-K1334 HydrophobicContact CB-CG 4.46Å
1311I91.3Very high89.3Confident2 Ų249.8 Ų49.81%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-125.4125.2179.5-53.9-175.9000108.6I1309 I1330 L1331 F1343 V1390 L1417 L1418 V1421I1309-I1311 HydrophobicContact CG2-CD1 4.49Å; I1309-I1311 HydrophobicContact CG2-CG1 3.9Å; I1311-I1330 WeakPolarHBondContact CA-O 3.34Å; I1311-L1331 HydrophobicContact CB-CD2 4.37Å; I1311-L1331 HydrophobicContact CD1-CD2 4.01Å; I1311-L1331 HydrophobicContact CG1-CD2 3.82Å; I1311-L1331 HydrophobicContact CG2-CD2 3.95Å; I1311-F1343 HydrophobicContact CD1-CE1 4.28Å; I1311-V1390 HydrophobicContact CD1-CB 4.49Å; I1311-V1390 HydrophobicContact CD1-CG1 4.06Å; I1311-V1390 HydrophobicContact CD1-CG2 3.74Å; I1311-L1417 HydrophobicContact CD1-CB 4.28Å; I1311-L1418 HydrophobicContact CD1-CD2 4.39Å; I1311-V1421 HydrophobicContact CG2-CG2 3.99Å
1312S88.4Confident89.4Confident43 Ų4350.7 Ų50.730%0.30129%0.291SS..EExtended strand (participates in β ladder)trans-125.4167.8167.662.20000110.2F1329 I1330S1312-F1329 CarbonylContact O-C 3.59Å; S1312-F1329 WeakPolarHBondContact O-CA 3.39Å; S1312-I1330 PolarHBondContact N-O 3.29Å; S1312-I1330 VanDerWaalsContact N-O 3.14Å; S1312-I1330 PolarHBondContact O-N 2.86Å
1313A90.8Very high89.5Confident20 Ų2053.1 Ų53.117%0.16531%0.307CS..EExtended strand (participates in β ladder)trans-137.4129.8178.400000111.1L1315 T1328 F1329 V1421A1313-L1315 HydrophobicContact CB-CD2 4.03Å; A1313-T1328 CarbonylContact C-O 3.54Å; A1313-T1328 WeakPolarHBondContact CA-O 3.39Å; A1313-F1329 HydrophobicContact CB-CD1 3.8Å; A1313-F1329 HydrophobicContact CB-CE1 4.03Å; A1313-V1421 HydrophobicContact CB-CG1 4.04Å; A1313-V1421 HydrophobicContact CB-CG2 4.4Å
1314E90.9Very high89.7Confident115 Ų11554 Ų5454%0.53731%0.312SS..EExtended strand (participates in β ladder)trans-99.8126.7171.6-59.2175.5153.600109I1327 T1328 I1330E1314-I1327 CarbonylContact O-C 3.54Å; E1314-I1327 WeakPolarHBondContact O-CA 3.5Å; E1314-T1328 PolarHBondContact N-O 3.42Å; E1314-T1328 PolarHBondContact O-N 3.1Å; E1314-I1330 HydrophobicContact CG-CD1 4.09Å
1315L91.8Very high89.9Confident45 Ų4553.8 Ų53.824%0.23631%0.31CS..  trans-155.5157.2177.456.4154.2000109.5A1313 I1327 L1385 P1422 L1425A1313-L1315 HydrophobicContact CB-CD2 4.03Å; L1315-I1327 HydrophobicContact CB-CB 4.28Å; L1315-I1327 HydrophobicContact CB-CD1 4.31Å; L1315-I1327 HydrophobicContact CB-CG1 4.08Å; L1315-I1327 HydrophobicContact CD1-CD1 4.43Å; L1315-I1327 HydrophobicContact CD2-CD1 4.13Å; L1315-I1327 HydrophobicContact CD2-CG1 4.38Å; L1315-L1385 HydrophobicContact CD1-CD1 3.65Å; L1315-P1422 HydrophobicContact CD2-CG 4.05Å; L1315-L1425 HydrophobicContact CD1-CD1 4.29Å
1316P91.1Very high90.3Very high49 Ų4955.1 Ų55.132%0.31832%0.322SS..  trans-64.7156.6174.629.1-37.7000112.2Y1318 F1325 P1326 L1425P1316-Y1318 VanDerWaalsContact C-N 3.26Å; P1316-Y1318 PolarHBondContact O-N 3.22Å; P1316-F1325 HydrophobicContact CG-CB 4.03Å; P1316-F1325 HydrophobicContact CG-CD2 3.53Å; P1316-F1325 HydrophobicContact CG-CE2 4.22Å; P1316-F1325 HydrophobicContact CG-CG 3.92Å; P1316-P1326 WeakPolarHBondContact CD-O 3.24Å; P1316-L1425 WeakPolarHBondContact O-CD1 2.97Å
1317A87.1Confident90.8Very high95 Ų9550.9 Ų50.979%0.78529%0.291SS*.SBendtrans-65.1-25.4-179.400000114.1L1425A1317-L1425 WeakPolarHBondContact O-CD1 3.35Å
1318Y90.9Very high91.1Very high133 Ų13350.2 Ų50.252%0.52229%0.289SS..EExtended strand (participates in β ladder)trans-148.5160.2172.464-91.3000110.4P1316 V1320 I1426 I1428P1316-Y1318 VanDerWaalsContact C-N 3.26Å; P1316-Y1318 PolarHBondContact O-N 3.22Å; Y1318-V1320 HydrophobicContact CD2-CG2 4.32Å; Y1318-V1320 HydrophobicContact CE2-CG2 4.04Å; Y1318-I1426 CarbonylContact C-O 3.51Å; Y1318-I1426 VanDerWaalsContact CA-O 3.29Å; Y1318-I1426 WeakPolarHBondContact CA-O 3.46Å; Y1318-I1426 WeakPolarHBondContact CB-O 3.46Å; Y1318-I1428 HydrophobicContact CD2-CD1 3.62Å; Y1318-I1428 HydrophobicContact CD2-CG1 4.14Å; Y1318-I1428 HydrophobicContact CE2-CD1 3.88Å; Y1318-I1428 HydrophobicContact CG-CD1 4.09Å
1319G90.2Very high91.5Very high3 Ų349.6 Ų49.63%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-105.1164.3168.100000112I1426 V1427 I1428G1319-I1426 PolarHBondContact N-O 3.48Å; G1319-V1427 CarbonylContact O-C 3.47Å; G1319-V1427 VanDerWaalsContact O-CA 3.32Å; G1319-V1427 WeakPolarHBondContact O-CA 3.44Å; G1319-I1428 PolarHBondContact O-N 3.23Å
1320V92.8Very high91.7Very high45 Ų4551 Ų5127%0.27329%0.291SS..EExtended strand (participates in β ladder)trans-116.9133.6168.3179.60000108.4Y1318 L1322 T1323 P1377 I1428Y1318-V1320 HydrophobicContact CD2-CG2 4.32Å; Y1318-V1320 HydrophobicContact CE2-CG2 4.04Å; V1320-L1322 PolarHBondContact O-N 3.08Å; V1320-T1323 WeakPolarHBondContact O-CA 3.32Å; V1320-T1323 VanDerWaalsContact O-CB 3.28Å; V1320-T1323 WeakPolarHBondContact O-CB 3.39Å; V1320-T1323 PolarHBondContact O-N 2.93Å; V1320-P1377 WeakPolarHBondContact O-CG 3.05Å; V1320-I1428 CarbonylContact C-O 3.54Å; V1320-I1428 WeakPolarHBondContact CA-O 3.47Å
1321M92.4Very high91.8Very high47 Ų4748.3 Ų48.323%0.23228%0.279CS..THydrogen-bonded Turntrans-55.1136.1-176.3-165.8-175.572.900110.8T1323 V1427 I1428 S1430M1321-T1323 PolarHBondContact O-N 3.14Å; M1321-T1323 VanDerWaalsContact O-N 3.08Å; M1321-V1427 HydrophobicContact CB-CG1 4.14Å; M1321-I1428 PolarHBondContact N-O 3.39Å; M1321-S1430 WeakPolarHBondContact O-CB 3.07Å
1322L91.1Very high91.6Very high111 Ų11149.9 Ų49.958%0.58129%0.29SS*.THydrogen-bonded Turntrans59.27.9-173.3-50.8-179.6000115.9V1320 L1376 P1377V1320-L1322 PolarHBondContact O-N 3.08Å; L1322-L1376 VanDerWaalsContact C-CD1 3.43Å; L1322-L1376 VanDerWaalsContact O-CD1 3.3Å; L1322-L1376 WeakPolarHBondContact O-CD1 3.49Å; L1322-P1377 PolarHBondContact N-O 3.17Å
1323T92.8Very high91.6Very high62 Ų6248.1 Ų48.138%0.3828%0.277SS..  trans-105.4120.1176.5-53.50000109.9V1320 M1321 P1377V1320-T1323 WeakPolarHBondContact O-CA 3.32Å; V1320-T1323 VanDerWaalsContact O-CB 3.28Å; V1320-T1323 WeakPolarHBondContact O-CB 3.39Å; V1320-T1323 PolarHBondContact O-N 2.93Å; M1321-T1323 PolarHBondContact O-N 3.14Å; M1321-T1323 VanDerWaalsContact O-N 3.08Å; T1323-P1377 VanDerWaalsContact O-CD 3.3Å; T1323-P1377 WeakPolarHBondContact O-CD 3.22Å
1324P93.7Very high91.3Very high82 Ų8252 Ų5253%0.53229%0.29SS..  trans-75.1142.2-177.129.8-34000112.3T1374 L1375 L1376P1324-T1374 HydrophobicContact CB-CG2 3.81Å; P1324-L1375 CarbonylContact C-O 3.55Å; P1324-L1375 VanDerWaalsContact CA-O 3.25Å; P1324-L1375 WeakPolarHBondContact CA-O 3.33Å; P1324-L1376 HydrophobicContact CB-CD1 4.21Å
1325F93.8Very high90.8Very high17 Ų1748 Ų488%0.07527%0.274CS..EExtended strand (participates in β ladder)trans-139.8154.5178.167.2-93.7000112.3P1316 F1351 T1374 L1375 P1377 L1425P1316-F1325 HydrophobicContact CG-CB 4.03Å; P1316-F1325 HydrophobicContact CG-CD2 3.53Å; P1316-F1325 HydrophobicContact CG-CE2 4.22Å; P1316-F1325 HydrophobicContact CG-CG 3.92Å; F1325-F1351 HydrophobicContact CE1-CD1 4.43Å; F1325-F1351 AromaticContact CE1-CE1 3.85Å; F1325-F1351 HydrophobicContact CE1-CE1 3.85Å; F1325-F1351 HydrophobicContact CZ-CD1 4.37Å; F1325-F1351 AromaticContact CZ-CE1 3.71Å; F1325-F1351 HydrophobicContact CZ-CE1 3.71Å; F1325-T1374 CarbonylContact O-C 3.55Å; F1325-T1374 WeakPolarHBondContact O-CA 3.45Å; F1325-L1375 HydrophobicContact CD2-CB 4.45Å; F1325-L1375 HydrophobicContact CE1-CB 4.02Å; F1325-L1375 HydrophobicContact CE2-CB 3.92Å; F1325-L1375 HydrophobicContact CE2-CD1 3.86Å; F1325-L1375 HydrophobicContact CE2-CG 4.19Å; F1325-L1375 HydrophobicContact CZ-CB 3.67Å; F1325-L1375 HydrophobicContact CZ-CD1 3.83Å; F1325-L1375 HydrophobicContact CZ-CG 4.25Å; F1325-L1375 PolarHBondContact N-O 2.94Å; F1325-L1375 PolarHBondContact O-N 3.23Å; F1325-P1377 HydrophobicContact CE1-CG 4.15Å; F1325-L1425 HydrophobicContact CE1-CD2 3.99Å; F1325-L1425 HydrophobicContact CE2-CD2 3.66Å; F1325-L1425 HydrophobicContact CZ-CD2 3.26Å
1326P94Very high89.9Confident84 Ų8451 Ų5155%0.54529%0.289SS..EExtended strand (participates in β ladder)trans-82.8151.1-179.633.4-34.9000113.2P1316 Y1373P1316-P1326 WeakPolarHBondContact CD-O 3.24Å; P1326-Y1373 CarbonylContact C-O 3.16Å; P1326-Y1373 WeakPolarHBondContact CA-O 3.18Å
1327I93.5Very high89.1Confident7 Ų751.6 Ų51.64%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-132.1133.2159.8-177.9167.8000109.2E1314 L1315 F1329 Y1373 L1375E1314-I1327 CarbonylContact O-C 3.54Å; E1314-I1327 WeakPolarHBondContact O-CA 3.5Å; L1315-I1327 HydrophobicContact CB-CB 4.28Å; L1315-I1327 HydrophobicContact CB-CD1 4.31Å; L1315-I1327 HydrophobicContact CB-CG1 4.08Å; L1315-I1327 HydrophobicContact CD1-CD1 4.43Å; L1315-I1327 HydrophobicContact CD2-CD1 4.13Å; L1315-I1327 HydrophobicContact CD2-CG1 4.38Å; I1327-F1329 HydrophobicContact CD1-CE1 4.23Å; I1327-F1329 HydrophobicContact CD1-CE2 4.14Å; I1327-F1329 HydrophobicContact CD1-CZ 3.75Å; I1327-F1329 HydrophobicContact CG1-CE2 4.2Å; I1327-F1329 HydrophobicContact CG1-CZ 4.26Å; I1327-F1329 HydrophobicContact CG2-CE2 4.44Å; I1327-Y1373 PolarHBondContact N-O 2.96Å; I1327-Y1373 PolarHBondContact O-N 3.24Å; I1327-L1375 HydrophobicContact CG2-CD1 4.04Å; I1327-L1375 HydrophobicContact CG2-CD2 4.14Å; I1327-L1375 HydrophobicContact CG2-CG 3.81Å
1328T94.2Very high88.6Confident22 Ų2248.1 Ų48.114%0.13526%0.255CS..EExtended strand (participates in β ladder)trans-122.3113.7-179-61.10000109.5A1313 E1314 I1330 Y1370 L1371A1313-T1328 CarbonylContact C-O 3.54Å; A1313-T1328 WeakPolarHBondContact CA-O 3.39Å; E1314-T1328 PolarHBondContact N-O 3.42Å; E1314-T1328 PolarHBondContact O-N 3.1Å; T1328-I1330 HydrophobicContact CG2-CG1 4.38Å; T1328-Y1370 HydrophobicContact CG2-CD1 3.88Å; T1328-L1371 WeakPolarHBondContact CA-O 3.41Å
1329F93.5Very high88.2Confident3 Ų342 Ų421%0.01323%0.231CC..EExtended strand (participates in β ladder)trans-86.6130.6169.9-57.1-90.5000110S1312 A1313 I1327 L1345 Y1370 L1371 Y1373 L1388 V1421S1312-F1329 CarbonylContact O-C 3.59Å; S1312-F1329 WeakPolarHBondContact O-CA 3.39Å; A1313-F1329 HydrophobicContact CB-CD1 3.8Å; A1313-F1329 HydrophobicContact CB-CE1 4.03Å; I1327-F1329 HydrophobicContact CD1-CE1 4.23Å; I1327-F1329 HydrophobicContact CD1-CE2 4.14Å; I1327-F1329 HydrophobicContact CD1-CZ 3.75Å; I1327-F1329 HydrophobicContact CG1-CE2 4.2Å; I1327-F1329 HydrophobicContact CG1-CZ 4.26Å; I1327-F1329 HydrophobicContact CG2-CE2 4.44Å; F1329-L1345 HydrophobicContact CE2-CD1 4.12Å; F1329-L1345 HydrophobicContact CZ-CD1 4.14Å; F1329-Y1370 CarbonylContact O-C 3.07Å; F1329-Y1370 WeakPolarHBondContact O-CA 3.22Å; F1329-L1371 HydrophobicContact CB-CB 4.24Å; F1329-L1371 HydrophobicContact CD2-CB 4.42Å; F1329-L1371 PolarHBondContact N-O 3.31Å; F1329-L1371 PolarHBondContact O-N 2.89Å; F1329-Y1373 AromaticContact CD2-CD2 3.91Å; F1329-Y1373 HydrophobicContact CD2-CD2 3.91Å; F1329-Y1373 AromaticContact CD2-CE2 3.75Å; F1329-Y1373 HydrophobicContact CD2-CE2 3.75Å; F1329-Y1373 AromaticContact CE2-CD2 3.82Å; F1329-Y1373 HydrophobicContact CE2-CD2 3.82Å; F1329-Y1373 AromaticContact CE2-CE2 3.81Å; F1329-Y1373 HydrophobicContact CE2-CE2 3.81Å; F1329-L1388 HydrophobicContact CB-CD2 4.22Å; F1329-L1388 HydrophobicContact CD1-CB 4.49Å; F1329-L1388 HydrophobicContact CD1-CD2 3.69Å; F1329-L1388 HydrophobicContact CD2-CD2 4.31Å; F1329-L1388 HydrophobicContact CE1-CB 4.01Å; F1329-L1388 HydrophobicContact CE1-CD2 4.07Å; F1329-L1388 HydrophobicContact CG-CD2 3.82Å; F1329-L1388 HydrophobicContact CZ-CB 4.1Å; F1329-V1421 HydrophobicContact CE1-CG1 3.9Å
1330I92.8Very high88.1Confident30 Ų3045.4 Ų45.415%0.15425%0.246CC..EExtended strand (participates in β ladder)trans-106.1125178.2-49.5-179.7000108.9I1311 S1312 E1314 T1328 P1368 Y1370I1311-I1330 WeakPolarHBondContact CA-O 3.34Å; S1312-I1330 PolarHBondContact N-O 3.29Å; S1312-I1330 VanDerWaalsContact N-O 3.14Å; S1312-I1330 PolarHBondContact O-N 2.86Å; E1314-I1330 HydrophobicContact CG-CD1 4.09Å; T1328-I1330 HydrophobicContact CG2-CG1 4.38Å; I1330-P1368 HydrophobicContact CG2-CB 4.01Å; I1330-Y1370 HydrophobicContact CB-CE1 4.49Å; I1330-Y1370 HydrophobicContact CD1-CD1 4.36Å; I1330-Y1370 HydrophobicContact CD1-CE1 3.91Å; I1330-Y1370 HydrophobicContact CG1-CD1 3.88Å; I1330-Y1370 HydrophobicContact CG1-CE1 3.86Å; I1330-Y1370 HydrophobicContact CG2-CD1 4.39Å; I1330-Y1370 HydrophobicContact CG2-CE1 3.98Å
1331L91.4Very high87.9Confident0 Ų043.2 Ų43.20%023%0.233CC..EExtended strand (participates in β ladder)trans-117.1101.1-172.1-54.8172.7000110.2I1311 F1343 L1363 P1368 H1369 L1371I1311-L1331 HydrophobicContact CB-CD2 4.37Å; I1311-L1331 HydrophobicContact CD1-CD2 4.01Å; I1311-L1331 HydrophobicContact CG1-CD2 3.82Å; I1311-L1331 HydrophobicContact CG2-CD2 3.95Å; L1331-F1343 HydrophobicContact CD1-CD1 4.42Å; L1331-F1343 HydrophobicContact CD1-CD2 4.05Å; L1331-F1343 HydrophobicContact CD1-CE1 3.91Å; L1331-F1343 HydrophobicContact CD1-CE2 3.49Å; L1331-F1343 VanDerWaalsContact CD1-CE2 3.49Å; L1331-F1343 HydrophobicContact CD1-CG 4.48Å; L1331-F1343 HydrophobicContact CD1-CZ 3.43Å; L1331-F1343 VanDerWaalsContact CD1-CZ 3.43Å; L1331-F1343 HydrophobicContact CD2-CD1 4.5Å; L1331-F1343 HydrophobicContact CD2-CE1 3.64Å; L1331-F1343 HydrophobicContact CD2-CZ 3.73Å; L1331-F1343 HydrophobicContact CG-CE1 4.43Å; L1331-F1343 HydrophobicContact CG-CZ 4.14Å; L1331-L1363 HydrophobicContact CB-CD1 4.09Å; L1331-L1363 HydrophobicContact CB-CD2 3.98Å; L1331-L1363 HydrophobicContact CD1-CD2 4.09Å; L1331-P1368 WeakPolarHBondContact O-CA 3.43Å; L1331-H1369 HydrophobicContact CB-CB 4.28Å; L1331-H1369 WeakPolarHBondContact CB-O 3.32Å; L1331-H1369 HydrophobicContact CD1-CB 4.46Å; L1331-H1369 PolarHBondContact N-O 3.4Å; L1331-H1369 PolarHBondContact O-N 2.96Å; L1331-L1371 HydrophobicContact CD1-CD1 3.74Å; L1331-L1371 HydrophobicContact CD1-CD2 4.36Å; L1331-L1371 HydrophobicContact CD1-CG 3.76Å
1332S87.6Confident87.8Confident34 Ų3442 Ų4224%0.23823%0.228CC..EExtended strand (participates in β ladder)trans-100.2115.8179.4179.10000110.6I1309 Q1310 K1334I1309-S1332 CarbonylContact C-O 3.58Å; I1309-S1332 VanDerWaalsContact CA-O 3.27Å; I1309-S1332 WeakPolarHBondContact CA-O 3.23Å; Q1310-S1332 PolarHBondContact N-O 3.43Å; Q1310-S1332 PolarHBondContact O-N 3.5Å; S1332-K1334 PolarHBondContact OG-NZ 3.35Å
1333N88.2Confident87.8Confident6 Ų636.8 Ų36.83%0.03220%0.201CC..EExtended strand (participates in β ladder)trans-74.9122.1171.6-179.31.5000109.8T1335 Y1337 Q1339 L1363 L1364N1333-T1335 PolarHBondContact OD1-N 3.14Å; N1333-T1335 PolarHBondContact OD1-O 2.66Å; N1333-T1335 PolarHBondContact OD1-OG1 3.48Å; N1333-Y1337 PolarHBondContact ND2-O 2.9Å; N1333-Q1339 WeakPolarHBondContact OD1-CG 3.38Å; N1333-L1363 HydrophobicContact CB-CB 4.18Å; N1333-L1363 PolarHBondContact ND2-O 3.2Å; N1333-L1364 WeakPolarHBondContact CB-O 3.11Å
1334K82.8Confident87.9Confident101 Ų10137.3 Ų37.344%0.43920%0.199SC..  trans-97.714.4179.5-56.5-61.1-173.41780113P1308 Q1310 S1332P1308-K1334 PolarHBondContact O-N 2.87Å; Q1310-K1334 VanDerWaalsContact CB-CE 3.47Å; Q1310-K1334 HydrophobicContact CB-CG 4.46Å; S1332-K1334 PolarHBondContact OG-NZ 3.35Å
1335T81.2Confident87.8Confident31 Ų3133.5 Ų33.519%0.1917%0.174CC..SBendtrans-121.6147.2-179.270.70000111.5P1308 N1333 Y1337 Q1339 P1365P1308-T1335 HydrophobicContact CB-CG2 3.95Å; N1333-T1335 PolarHBondContact OD1-N 3.14Å; N1333-T1335 PolarHBondContact OD1-O 2.66Å; N1333-T1335 PolarHBondContact OD1-OG1 3.48Å; T1335-Y1337 PolarHBondContact O-N 3.31Å; T1335-Y1337 PolarHBondContact OG1-O 3.16Å; T1335-Q1339 PolarHBondContact OG1-NE2 3.34Å; T1335-P1365 WeakPolarHBondContact O-CG 3.09Å
1336I72.1Confident87.8Confident108 Ų10835.3 Ų35.355%0.55418%0.183SC*.SBendtrans-67.78.2-179.967172.1000115
1337Y74.4Confident87.5Confident63 Ų6335 Ų3525%0.24718%0.183CC..SBendtrans-127.4146.2-178.9-38.5-85000111T435 N1333 T1335 Q1339T435-Y1337 HydrophobicContact CG2-CE1 4.1Å; T435-Y1337 WeakPolarHBondContact CG2-OH 3.43Å; T435-Y1337 PolarHBondContact OG1-OH 3.09Å; N1333-Y1337 PolarHBondContact ND2-O 2.9Å; T1335-Y1337 PolarHBondContact O-N 3.31Å; T1335-Y1337 PolarHBondContact OG1-O 3.16Å; Y1337-Q1339 PolarHBondContact O-N 3.1Å
1338P78.4Confident87.3Confident22 Ų2236.2 Ų36.214%0.14319%0.189CC..  trans-59.3120.4171.3-26.936.3000112.7R1362 L1363 L1364 R1394P1338-R1362 HydrophobicContact CB-CG 3.8Å; P1338-L1363 CarbonylContact C-O 3.32Å; P1338-L1363 VanDerWaalsContact CA-O 3.23Å; P1338-L1363 WeakPolarHBondContact CA-O 3.11Å; P1338-L1364 HydrophobicContact CB-CD2 3.96Å; P1338-L1364 HydrophobicContact CG-CD2 3.83Å; P1338-R1394 PolarHBondContact O-NH2 2.62Å
1339Q82.5Confident86.8Confident3 Ų344.2 Ų44.21%0.01422%0.224CC..EExtended strand (participates in β ladder)trans-88.5131177.7-67.2-67.2-9.700110.2I1309 N1333 T1335 Y1337 R1362 L1363 R1394I1309-Q1339 HydrophobicContact CD1-CB 4.06Å; I1309-Q1339 HydrophobicContact CD1-CG 4.27Å; N1333-Q1339 WeakPolarHBondContact OD1-CG 3.38Å; T1335-Q1339 PolarHBondContact OG1-NE2 3.34Å; Y1337-Q1339 PolarHBondContact O-N 3.1Å; Q1339-R1362 CarbonylContact O-C 3.51Å; Q1339-R1362 WeakPolarHBondContact O-CA 2.95Å; Q1339-L1363 HydrophobicContact CB-CB 4.49Å; Q1339-L1363 PolarHBondContact N-O 3.28Å; Q1339-L1363 PolarHBondContact O-N 3.09Å; Q1339-R1394 VanDerWaalsContact OE1-CD 3.28Å
1340E86.4Confident86.5Confident75 Ų7544.8 Ų44.835%0.3523%0.231SC..EExtended strand (participates in β ladder)trans-92.8114.7171.3-72.3-171.8-136.300108.7K1360 R1362 E1393E1340-K1360 WeakPolarHBondContact OE2-CE 2.96Å; E1340-K1360 IonicContact OE2-NZ 2.74Å; E1340-K1360 PolarHBondContact OE2-NZ 3.24Å; E1340-R1362 HydrophobicContact CG-CG 4.22Å; E1340-E1393 PolarHBondContact O-N 3.42Å
1341A88.4Confident86.5Confident0 Ų043.7 Ų43.70%023%0.225CC..EExtended strand (participates in β ladder)trans-127.6140.1-173.400000110.1F1343 V1361 L1363 I1391 L1392A1341-F1343 HydrophobicContact CB-CD2 4.28Å; A1341-F1343 HydrophobicContact CB-CE2 3.47Å; A1341-F1343 VanDerWaalsContact CB-CE2 3.47Å; A1341-F1343 HydrophobicContact CB-CZ 3.84Å; A1341-V1361 PolarHBondContact N-O 2.89Å; A1341-V1361 PolarHBondContact O-N 2.75Å; A1341-L1363 HydrophobicContact CB-CD1 4.31Å; A1341-I1391 CarbonylContact C-O 3.51Å; A1341-I1391 WeakPolarHBondContact CA-O 3.19Å; A1341-L1392 HydrophobicContact CB-CD2 3.69Å
1342V91.4Very high86.5Confident22 Ų2249.1 Ų49.113%0.13325%0.252CS..EExtended strand (participates in β ladder)trans-112.7119.1173.6-176.20000108K1358 L1359 K1360 I1391 E1393V1342-K1358 HydrophobicContact CG1-CG 4.41Å; V1342-L1359 WeakPolarHBondContact CA-O 3.42Å; V1342-K1360 HydrophobicContact CG2-CB 4.09Å; V1342-K1360 HydrophobicContact CG2-CD 4.16Å; V1342-K1360 HydrophobicContact CG2-CG 4.02Å; V1342-I1391 HydrophobicContact CB-CB 4.37Å; V1342-I1391 PolarHBondContact N-O 2.95Å; V1342-I1391 PolarHBondContact O-N 2.88Å; V1342-E1393 HydrophobicContact CG2-CG 4.4Å; V1342-E1393 WeakPolarHBondContact CG2-OE1 3.03Å
1343F91.8Very high86.8Confident0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-104.5140177.1-66.1-79.3000109.7I1311 L1331 A1341 K1358 L1359 V1361 L1363 L1371 L1388 H1389 V1390I1311-F1343 HydrophobicContact CD1-CE1 4.28Å; L1331-F1343 HydrophobicContact CD1-CD1 4.42Å; L1331-F1343 HydrophobicContact CD1-CD2 4.05Å; L1331-F1343 HydrophobicContact CD1-CE1 3.91Å; L1331-F1343 HydrophobicContact CD1-CE2 3.49Å; L1331-F1343 VanDerWaalsContact CD1-CE2 3.49Å; L1331-F1343 HydrophobicContact CD1-CG 4.48Å; L1331-F1343 HydrophobicContact CD1-CZ 3.43Å; L1331-F1343 VanDerWaalsContact CD1-CZ 3.43Å; L1331-F1343 HydrophobicContact CD2-CD1 4.5Å; L1331-F1343 HydrophobicContact CD2-CE1 3.64Å; L1331-F1343 HydrophobicContact CD2-CZ 3.73Å; L1331-F1343 HydrophobicContact CG-CE1 4.43Å; L1331-F1343 HydrophobicContact CG-CZ 4.14Å; A1341-F1343 HydrophobicContact CB-CD2 4.28Å; A1341-F1343 HydrophobicContact CB-CE2 3.47Å; A1341-F1343 VanDerWaalsContact CB-CE2 3.47Å; A1341-F1343 HydrophobicContact CB-CZ 3.84Å; F1343-K1358 WeakPolarHBondContact O-CA 3.35Å; F1343-L1359 PolarHBondContact N-O 2.98Å; F1343-L1359 PolarHBondContact O-N 3.47Å; F1343-V1361 HydrophobicContact CD2-CG1 3.66Å; F1343-V1361 HydrophobicContact CE2-CG1 3.52Å; F1343-L1363 HydrophobicContact CE2-CD1 4.28Å; F1343-L1363 HydrophobicContact CZ-CD1 4.18Å; F1343-L1371 HydrophobicContact CB-CD1 3.93Å; F1343-L1371 HydrophobicContact CD1-CD1 4.23Å; F1343-L1371 HydrophobicContact CD2-CD1 4.2Å; F1343-L1371 HydrophobicContact CG-CD1 3.84Å; F1343-L1388 HydrophobicContact CB-CD1 4.17Å; F1343-L1388 HydrophobicContact CD1-CD1 4.2Å; F1343-L1388 HydrophobicContact CD1-CD2 4.02Å; F1343-L1388 HydrophobicContact CD1-CG 4.2Å; F1343-L1388 HydrophobicContact CE1-CD2 4.47Å; F1343-H1389 WeakPolarHBondContact CA-O 3.08Å; F1343-V1390 HydrophobicContact CD1-CG1 4.36Å; F1343-V1390 HydrophobicContact CD1-CG2 3.98Å; F1343-V1390 HydrophobicContact CE1-CB 4.28Å; F1343-V1390 HydrophobicContact CE1-CG1 3.71Å; F1343-V1390 HydrophobicContact CE1-CG2 3.85Å; F1343-V1390 HydrophobicContact CZ-CG1 4.3Å
1344Q93.1Very high86.9Confident73 Ų7353.5 Ų53.534%0.34128%0.277SS..EExtended strand (participates in β ladder)trans-144.7125.8175.1-175.2176.9-43.200110.5Q1357 K1358 H1389Q1344-Q1357 CarbonylContact C-O 3.53Å; Q1344-Q1357 VanDerWaalsContact CA-O 3.27Å; Q1344-Q1357 WeakPolarHBondContact CA-O 3.32Å; Q1344-Q1357 WeakPolarHBondContact CG-O 3.5Å; Q1344-K1358 HydrophobicContact CB-CG 4.24Å; Q1344-K1358 HydrophobicContact CG-CB 4.25Å; Q1344-K1358 HydrophobicContact CG-CG 4.33Å; Q1344-H1389 HydrophobicContact CB-CB 4.49Å; Q1344-H1389 PolarHBondContact N-O 2.62Å; Q1344-H1389 VanDerWaalsContact N-O 3.08Å; Q1344-H1389 PolarHBondContact O-N 2.98Å
1345L93.3Very high87.3Confident3 Ų350.5 Ų50.52%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-88.4128.2177-160.170.4000110.3F1329 F1353 Q1357 Y1373 P1386 L1388F1329-L1345 HydrophobicContact CE2-CD1 4.12Å; F1329-L1345 HydrophobicContact CZ-CD1 4.14Å; L1345-F1353 HydrophobicContact CB-CZ 4.2Å; L1345-F1353 HydrophobicContact CD2-CD1 4.01Å; L1345-F1353 HydrophobicContact CD2-CD2 3.96Å; L1345-F1353 HydrophobicContact CD2-CE1 4.05Å; L1345-F1353 HydrophobicContact CD2-CE2 4.03Å; L1345-F1353 HydrophobicContact CD2-CG 3.96Å; L1345-F1353 HydrophobicContact CD2-CZ 4.07Å; L1345-F1353 HydrophobicContact CG-CE1 4.43Å; L1345-F1353 HydrophobicContact CG-CZ 4.45Å; L1345-Q1357 PolarHBondContact N-O 3.04Å; L1345-Y1373 HydrophobicContact CB-CE1 4.13Å; L1345-Y1373 HydrophobicContact CD2-CD1 3.67Å; L1345-Y1373 HydrophobicContact CD2-CD2 4.46Å; L1345-Y1373 HydrophobicContact CD2-CE1 3.74Å; L1345-Y1373 HydrophobicContact CD2-CG 4.06Å; L1345-Y1373 HydrophobicContact CG-CE1 4.49Å; L1345-P1386 HydrophobicContact CD1-CB 3.98Å; L1345-P1386 HydrophobicContact CD2-CB 4.05Å; L1345-P1386 HydrophobicContact CG-CB 3.81Å; L1345-L1388 HydrophobicContact CD1-CB 4.29Å; L1345-L1388 HydrophobicContact CD1-CD1 4.31Å
1346E92.2Very high87.7Confident54 Ų5455 Ų5525%0.25229%0.293SS..  trans-61.2146.9173.8-167.3-171.1-178.400110.8I1348 F1353 K1384 R1387E1346-I1348 HydrophobicContact CG-CG2 3.89Å; E1346-F1353 WeakPolarHBondContact O-CE1 3.02Å; E1346-K1384 IonicContact OE1-NZ 2.73Å; E1346-K1384 PolarHBondContact OE1-NZ 2.87Å; E1346-K1384 IonicContact OE2-NZ 2.92Å; E1346-K1384 PolarHBondContact OE2-NZ 2.96Å; E1346-R1387 HydrophobicContact CB-CB 4.15Å; E1346-R1387 WeakPolarHBondContact CB-O 3.36Å; E1346-R1387 PolarHBondContact N-O 2.88Å; E1346-R1387 WeakPolarHBondContact OE2-CB 2.92Å; E1346-R1387 PolarHBondContact OE2-N 2.91Å
1347S88.5Confident88.5Confident78 Ų7854.7 Ų54.755%0.54529%0.289SS..  trans-104.5125.7171.7-590000109.6Q1357S1347-Q1357 PolarHBondContact OG-NE2 3.5Å
1348I88.4Confident89.3Confident32 Ų3257.4 Ų57.416%0.16430%0.302CS..BIsolated β-bridgetrans-134.5152.2-172.258.2165.7000111.6E1346 G1350 F1351 K1384 L1385 P1386E1346-I1348 HydrophobicContact CG-CG2 3.89Å; I1348-G1350 VanDerWaalsContact C-N 3.3Å; I1348-G1350 PolarHBondContact O-N 3.4Å; I1348-F1351 HydrophobicContact CD1-CD2 3.93Å; I1348-F1351 PolarHBondContact O-N 3.16Å; I1348-F1351 VanDerWaalsContact O-O 3.1Å; I1348-K1384 WeakPolarHBondContact CD1-O 3.45Å; I1348-L1385 VanDerWaalsContact CD1-C 3.48Å; I1348-P1386 HydrophobicContact CD1-CB 4.44Å; I1348-P1386 HydrophobicContact CD1-CG 3.98Å; I1348-P1386 HydrophobicContact CG1-CB 4.44Å; I1348-P1386 HydrophobicContact CG1-CG 4.08Å
1349H84.1Confident89.9Confident190 Ų19058.6 Ų58.688%0.8831%0.307SS*.THydrogen-bonded Turntrans-67.3-21.3-172.1-67.7-75.1000115.5
1350G87.9Confident90.3Very high15 Ų1563.2 Ų63.216%0.15533%0.327CS..THydrogen-bonded Turntrans-78.2-21.4-177.300000115I1348 L1378I1348-G1350 VanDerWaalsContact C-N 3.3Å; I1348-G1350 PolarHBondContact O-N 3.4Å; G1350-L1378 PolarHBondContact O-N 2.69Å
1351F92.9Very high90.3Very high7 Ų760.6 Ų60.63%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-139.1131.5-173.3-64.9-91.5000111.4F1325 I1348 L1375 L1376 P1377 L1383 K1384 L1385 P1386 V1427F1325-F1351 HydrophobicContact CE1-CD1 4.43Å; F1325-F1351 AromaticContact CE1-CE1 3.85Å; F1325-F1351 HydrophobicContact CE1-CE1 3.85Å; F1325-F1351 HydrophobicContact CZ-CD1 4.37Å; F1325-F1351 AromaticContact CZ-CE1 3.71Å; F1325-F1351 HydrophobicContact CZ-CE1 3.71Å; I1348-F1351 HydrophobicContact CD1-CD2 3.93Å; I1348-F1351 PolarHBondContact O-N 3.16Å; I1348-F1351 VanDerWaalsContact O-O 3.1Å; F1351-L1375 HydrophobicContact CD1-CB 4Å; F1351-L1375 HydrophobicContact CD1-CD1 4.33Å; F1351-L1375 HydrophobicContact CE1-CD1 4.49Å; F1351-L1376 WeakPolarHBondContact CA-O 3.43Å; F1351-P1377 HydrophobicContact CD1-CB 3.82Å; F1351-P1377 HydrophobicContact CE1-CB 3.67Å; F1351-P1377 HydrophobicContact CE1-CG 4.48Å; F1351-L1383 HydrophobicContact CD2-CD1 4.49Å; F1351-L1383 HydrophobicContact CE2-CB 3.62Å; F1351-L1383 HydrophobicContact CE2-CD1 3.86Å; F1351-L1383 HydrophobicContact CE2-CG 4.42Å; F1351-L1383 HydrophobicContact CZ-CB 3.99Å; F1351-L1383 HydrophobicContact CZ-CD1 3.89Å; F1351-K1384 WeakPolarHBondContact CE2-O 3.18Å; F1351-L1385 HydrophobicContact CE2-CD2 4.17Å; F1351-L1385 HydrophobicContact CZ-CD2 3.96Å; F1351-P1386 HydrophobicContact CB-CG 4.47Å; F1351-V1427 HydrophobicContact CE1-CG2 4.26Å; F1351-V1427 HydrophobicContact CZ-CG2 4.11Å
1352M91.5Very high90.2Very high114 Ų11466.1 Ų66.156%0.56234%0.337SS*.EExtended strand (participates in β ladder)trans-78154.2152.3-70.817767.400109L1376 L1378M1352-L1376 HydrophobicContact CB-CB 4.25Å; M1352-L1376 PolarHBondContact N-O 3.45Å; M1352-L1376 PolarHBondContact O-N 2.98Å; M1352-L1376 HydrophobicContact SD-CD2 4.46Å; M1352-L1378 HydrophobicContact CG-CD1 4.12Å; M1352-L1378 HydrophobicContact CG-CD2 4.08Å; M1352-L1378 HydrophobicContact CG-CG 4.38Å; M1352-L1378 HydrophobicContact SD-CD2 4.08Å
1353F93.3Very high89.8Confident52 Ų5265.2 Ų65.223%0.22833%0.331CS..EExtended strand (participates in β ladder)trans-138.7155170.870.6-101.4000112.9L1345 E1346 Q1357 Y1373 T1374 L1375L1345-F1353 HydrophobicContact CB-CZ 4.2Å; L1345-F1353 HydrophobicContact CD2-CD1 4.01Å; L1345-F1353 HydrophobicContact CD2-CD2 3.96Å; L1345-F1353 HydrophobicContact CD2-CE1 4.05Å; L1345-F1353 HydrophobicContact CD2-CE2 4.03Å; L1345-F1353 HydrophobicContact CD2-CG 3.96Å; L1345-F1353 HydrophobicContact CD2-CZ 4.07Å; L1345-F1353 HydrophobicContact CG-CE1 4.43Å; L1345-F1353 HydrophobicContact CG-CZ 4.45Å; E1346-F1353 WeakPolarHBondContact O-CE1 3.02Å; F1353-Q1357 HydrophobicContact CE2-CB 3.98Å; F1353-Q1357 HydrophobicContact CE2-CG 4.41Å; F1353-Q1357 HydrophobicContact CZ-CB 4.02Å; F1353-Q1357 HydrophobicContact CZ-CG 3.94Å; F1353-Y1373 HydrophobicContact CD2-CD1 4.16Å; F1353-Y1373 HydrophobicContact CE2-CD1 4.5Å; F1353-T1374 CarbonylContact C-O 3.58Å; F1353-T1374 VanDerWaalsContact CA-O 3.23Å; F1353-T1374 WeakPolarHBondContact CA-O 3.28Å; F1353-L1375 HydrophobicContact CB-CD2 3.52Å
1354S91.3Very high89.4Confident81 Ų8169.2 Ų69.257%0.56635%0.352SS*.EExtended strand (participates in β ladder)trans-118.2132.9168.6-174.40000109.3Y1373 T1374S1354-Y1373 CarbonylContact O-C 3.55Å; S1354-Y1373 VanDerWaalsContact O-CA 3.27Å; S1354-Y1373 WeakPolarHBondContact O-CA 3.28Å; S1354-T1374 PolarHBondContact N-O 3.12Å; S1354-T1374 PolarHBondContact O-N 3.24Å
1355G89.9Confident88.7Confident37 Ų3767.4 Ų67.438%0.38135%0.347SS..SBendtrans148.7-174-178.700000112.6Q1357G1355-Q1357 PolarHBondContact O-N 2.78Å
1356Q89.3Confident87.7Confident127 Ų12773.8 Ų73.859%0.59338%0.381SS*.  trans-8184.6-175.8-65.7-63.4-31.400111.4K1358 L1359 Y1373Q1356-K1358 PolarHBondContact O-N 3.38Å; Q1356-L1359 HydrophobicContact CB-CB 4.34Å; Q1356-Y1373 PolarHBondContact O-OH 3.11Å
1357Q88.4Confident87Confident100 Ų10074.2 Ų74.247%0.46739%0.39SS..SBendtrans-47.6-34.3-177.7177.8173.233.400114Q1344 L1345 S1347 F1353 G1355Q1344-Q1357 CarbonylContact C-O 3.53Å; Q1344-Q1357 VanDerWaalsContact CA-O 3.27Å; Q1344-Q1357 WeakPolarHBondContact CA-O 3.32Å; Q1344-Q1357 WeakPolarHBondContact CG-O 3.5Å; L1345-Q1357 PolarHBondContact N-O 3.04Å; S1347-Q1357 PolarHBondContact OG-NE2 3.5Å; F1353-Q1357 HydrophobicContact CE2-CB 3.98Å; F1353-Q1357 HydrophobicContact CE2-CG 4.41Å; F1353-Q1357 HydrophobicContact CZ-CB 4.02Å; F1353-Q1357 HydrophobicContact CZ-CG 3.94Å; G1355-Q1357 PolarHBondContact O-N 2.78Å
1358K92Very high86.9Confident121 Ų12173 Ų7353%0.52638%0.381SS..EExtended strand (participates in β ladder)trans-139.8127.3170.3-171.3171.4-168.2139.10110.4V1342 F1343 Q1344 Q1356V1342-K1358 HydrophobicContact CG1-CG 4.41Å; F1343-K1358 WeakPolarHBondContact O-CA 3.35Å; Q1344-K1358 HydrophobicContact CB-CG 4.24Å; Q1344-K1358 HydrophobicContact CG-CB 4.25Å; Q1344-K1358 HydrophobicContact CG-CG 4.33Å; Q1356-K1358 PolarHBondContact O-N 3.38Å
1359L90.5Very high86.9Confident46 Ų4674.8 Ų74.824%0.24139%0.388CS..EExtended strand (participates in β ladder)trans-134.5126.6180-176.567.2000110.5V1342 F1343 Q1356 V1361 L1371V1342-L1359 WeakPolarHBondContact CA-O 3.42Å; F1343-L1359 PolarHBondContact N-O 2.98Å; F1343-L1359 PolarHBondContact O-N 3.47Å; Q1356-L1359 HydrophobicContact CB-CB 4.34Å; L1359-V1361 HydrophobicContact CD2-CB 4.33Å; L1359-V1361 HydrophobicContact CG-CB 4.38Å; L1359-L1371 HydrophobicContact CD2-CD2 3.57Å
1360K90.8Very high87.2Confident101 Ų10171.4 Ų71.444%0.43937%0.368SS..EExtended strand (participates in β ladder)trans-92.7128.4160.3178.3168.1175.9169.30108.9E1340 V1342 E1393E1340-K1360 WeakPolarHBondContact OE2-CE 2.96Å; E1340-K1360 IonicContact OE2-NZ 2.74Å; E1340-K1360 PolarHBondContact OE2-NZ 3.24Å; V1342-K1360 HydrophobicContact CG2-CB 4.09Å; V1342-K1360 HydrophobicContact CG2-CD 4.16Å; V1342-K1360 HydrophobicContact CG2-CG 4.02Å; K1360-E1393 WeakPolarHBondContact CD-OE1 2.94Å; K1360-E1393 WeakPolarHBondContact CE-OE1 3.09Å; K1360-E1393 IonicContact NZ-OE1 2.72Å; K1360-E1393 PolarHBondContact NZ-OE1 3.01Å; K1360-E1393 IonicContact NZ-OE2 3.38Å; K1360-E1393 PolarHBondContact NZ-OE2 3.12Å
1361V86.9Confident87.4Confident19 Ų1971.1 Ų71.112%0.11536%0.363CS..EExtended strand (participates in β ladder)trans-136.7156.1-176.670.40000111.2A1341 F1343 L1359 L1363A1341-V1361 PolarHBondContact N-O 2.89Å; A1341-V1361 PolarHBondContact O-N 2.75Å; F1343-V1361 HydrophobicContact CD2-CG1 3.66Å; F1343-V1361 HydrophobicContact CE2-CG1 3.52Å; L1359-V1361 HydrophobicContact CD2-CB 4.33Å; L1359-V1361 HydrophobicContact CG-CB 4.38Å; V1361-L1363 HydrophobicContact CG1-CD2 3.87Å; V1361-L1363 HydrophobicContact CG1-CG 4.17Å; V1361-L1363 HydrophobicContact CG2-CD2 4.41Å
1362R85.6Confident87.4Confident117 Ų11776 Ų7644%0.44239%0.39SS..EExtended strand (participates in β ladder)trans-112.892.6176.5-170-177.9-166.9-146.42.1108.9P1338 Q1339 E1340 L1364P1338-R1362 HydrophobicContact CB-CG 3.8Å; Q1339-R1362 CarbonylContact O-C 3.51Å; Q1339-R1362 WeakPolarHBondContact O-CA 2.95Å; E1340-R1362 HydrophobicContact CG-CG 4.22Å; R1362-L1364 PolarHBondContact O-N 2.84Å
1363L84.2Confident87.5Confident2 Ų271 Ų711%0.0136%0.364CS..EExtended strand (participates in β ladder)trans-69.6117.8-178.8-58.1177.9000109.6I1309 L1331 N1333 P1338 Q1339 A1341 F1343 V1361 H1369I1309-L1363 HydrophobicContact CD1-CD1 3.75Å; I1309-L1363 HydrophobicContact CG1-CD1 4.18Å; I1309-L1363 HydrophobicContact CG2-CD1 4.4Å; L1331-L1363 HydrophobicContact CB-CD1 4.09Å; L1331-L1363 HydrophobicContact CB-CD2 3.98Å; L1331-L1363 HydrophobicContact CD1-CD2 4.09Å; N1333-L1363 HydrophobicContact CB-CB 4.18Å; N1333-L1363 PolarHBondContact ND2-O 3.2Å; P1338-L1363 CarbonylContact C-O 3.32Å; P1338-L1363 VanDerWaalsContact CA-O 3.23Å; P1338-L1363 WeakPolarHBondContact CA-O 3.11Å; Q1339-L1363 HydrophobicContact CB-CB 4.49Å; Q1339-L1363 PolarHBondContact N-O 3.28Å; Q1339-L1363 PolarHBondContact O-N 3.09Å; A1341-L1363 HydrophobicContact CB-CD1 4.31Å; F1343-L1363 HydrophobicContact CE2-CD1 4.28Å; F1343-L1363 HydrophobicContact CZ-CD1 4.18Å; V1361-L1363 HydrophobicContact CG1-CD2 3.87Å; V1361-L1363 HydrophobicContact CG1-CG 4.17Å; V1361-L1363 HydrophobicContact CG2-CD2 4.41Å; L1363-H1369 HydrophobicContact CD2-CB 3.42Å; L1363-H1369 VanDerWaalsContact CD2-CB 3.42Å
1364L83.5Confident87.6Confident84 Ų8471.7 Ų71.744%0.4437%0.373SS..PPolyproline II helixtrans-82.4153.2178-57.8178.8000110.5N1333 P1338 R1362N1333-L1364 WeakPolarHBondContact CB-O 3.11Å; P1338-L1364 HydrophobicContact CB-CD2 3.96Å; P1338-L1364 HydrophobicContact CG-CD2 3.83Å; R1362-L1364 PolarHBondContact O-N 2.84Å
1365P77.9Confident87.8Confident36 Ų3667.9 Ų67.923%0.23435%0.346CS..BIsolated β-bridgetrans-57.7148.8166.6-1831.3000110.5T1335 S1367T1335-P1365 WeakPolarHBondContact O-CG 3.09Å; P1365-S1367 PolarHBondContact O-N 3.41Å
1366D72.7Confident88Confident137 Ų13768.5 Ų68.573%0.73334%0.341SS*.THydrogen-bonded Turntrans53.120.9174.9-47.8-38.8000115.7
1367S78.3Confident88.2Confident62 Ų6262.4 Ų62.443%0.43431%0.312SS..  trans-137.491.1-177.6-168.40000109.1P1365P1365-S1367 PolarHBondContact O-N 3.41Å
1368P84.9Confident88.4Confident54 Ų5461.1 Ų61.135%0.35131%0.308SS..PPolyproline II helixtrans-65136.2179.526.7-33.4000110.4I1330 L1331 Y1370I1330-P1368 HydrophobicContact CG2-CB 4.01Å; L1331-P1368 WeakPolarHBondContact O-CA 3.43Å; P1368-Y1370 HydrophobicContact CB-CE2 4.33Å; P1368-Y1370 HydrophobicContact CG-CE2 4.14Å; P1368-Y1370 WeakPolarHBondContact O-CE2 3.1Å
1369H88.7Confident88.4Confident68 Ų6858.7 Ų58.732%0.31530%0.303SS..EExtended strand (participates in β ladder)trans-102.5133.8175.6-163.1-61.5000110.5L1331 L1363L1331-H1369 HydrophobicContact CB-CB 4.28Å; L1331-H1369 WeakPolarHBondContact CB-O 3.32Å; L1331-H1369 HydrophobicContact CD1-CB 4.46Å; L1331-H1369 PolarHBondContact N-O 3.4Å; L1331-H1369 PolarHBondContact O-N 2.96Å; L1363-H1369 HydrophobicContact CD2-CB 3.42Å; L1363-H1369 VanDerWaalsContact CD2-CB 3.42Å
1370Y90.4Very high88.4Confident119 Ų11959.2 Ų59.247%0.46731%0.311SS..EExtended strand (participates in β ladder)trans-101.1132.8-179.4-57.5-94.9000109.4T1328 F1329 I1330 P1368T1328-Y1370 HydrophobicContact CG2-CD1 3.88Å; F1329-Y1370 CarbonylContact O-C 3.07Å; F1329-Y1370 WeakPolarHBondContact O-CA 3.22Å; I1330-Y1370 HydrophobicContact CB-CE1 4.49Å; I1330-Y1370 HydrophobicContact CD1-CD1 4.36Å; I1330-Y1370 HydrophobicContact CD1-CE1 3.91Å; I1330-Y1370 HydrophobicContact CG1-CD1 3.88Å; I1330-Y1370 HydrophobicContact CG1-CE1 3.86Å; I1330-Y1370 HydrophobicContact CG2-CD1 4.39Å; I1330-Y1370 HydrophobicContact CG2-CE1 3.98Å; P1368-Y1370 HydrophobicContact CB-CE2 4.33Å; P1368-Y1370 HydrophobicContact CG-CE2 4.14Å; P1368-Y1370 WeakPolarHBondContact O-CE2 3.1Å
1371L91.6Very high88.5Confident9 Ų955.9 Ų55.95%0.04731%0.305CS..EExtended strand (participates in β ladder)trans-115.4100.2171.1-57-176.4000109.2T1328 F1329 L1331 F1343 L1359 Y1373T1328-L1371 WeakPolarHBondContact CA-O 3.41Å; F1329-L1371 HydrophobicContact CB-CB 4.24Å; F1329-L1371 HydrophobicContact CD2-CB 4.42Å; F1329-L1371 PolarHBondContact N-O 3.31Å; F1329-L1371 PolarHBondContact O-N 2.89Å; L1331-L1371 HydrophobicContact CD1-CD1 3.74Å; L1331-L1371 HydrophobicContact CD1-CD2 4.36Å; L1331-L1371 HydrophobicContact CD1-CG 3.76Å; F1343-L1371 HydrophobicContact CB-CD1 3.93Å; F1343-L1371 HydrophobicContact CD1-CD1 4.23Å; F1343-L1371 HydrophobicContact CD2-CD1 4.2Å; F1343-L1371 HydrophobicContact CG-CD1 3.84Å; L1359-L1371 HydrophobicContact CD2-CD2 3.57Å; L1371-Y1373 HydrophobicContact CB-CE2 3.81Å
1372N93.4Very high88.7Confident111 Ų11160.4 Ų60.459%0.59433%0.329SS*.EExtended strand (participates in β ladder)trans-92.2127.3-176-53.815.5000109.3
1373Y94.4Very high89Confident7 Ų756 Ų563%0.02731%0.314CS..EExtended strand (participates in β ladder)trans-126.9157.8170.8-57.1-100000109.7P1326 I1327 F1329 L1345 F1353 S1354 Q1356 L1371P1326-Y1373 CarbonylContact C-O 3.16Å; P1326-Y1373 WeakPolarHBondContact CA-O 3.18Å; I1327-Y1373 PolarHBondContact N-O 2.96Å; I1327-Y1373 PolarHBondContact O-N 3.24Å; F1329-Y1373 AromaticContact CD2-CD2 3.91Å; F1329-Y1373 HydrophobicContact CD2-CD2 3.91Å; F1329-Y1373 AromaticContact CD2-CE2 3.75Å; F1329-Y1373 HydrophobicContact CD2-CE2 3.75Å; F1329-Y1373 AromaticContact CE2-CD2 3.82Å; F1329-Y1373 HydrophobicContact CE2-CD2 3.82Å; F1329-Y1373 AromaticContact CE2-CE2 3.81Å; F1329-Y1373 HydrophobicContact CE2-CE2 3.81Å; L1345-Y1373 HydrophobicContact CB-CE1 4.13Å; L1345-Y1373 HydrophobicContact CD2-CD1 3.67Å; L1345-Y1373 HydrophobicContact CD2-CD2 4.46Å; L1345-Y1373 HydrophobicContact CD2-CE1 3.74Å; L1345-Y1373 HydrophobicContact CD2-CG 4.06Å; L1345-Y1373 HydrophobicContact CG-CE1 4.49Å; F1353-Y1373 HydrophobicContact CD2-CD1 4.16Å; F1353-Y1373 HydrophobicContact CE2-CD1 4.5Å; S1354-Y1373 CarbonylContact O-C 3.55Å; S1354-Y1373 VanDerWaalsContact O-CA 3.27Å; S1354-Y1373 WeakPolarHBondContact O-CA 3.28Å; Q1356-Y1373 PolarHBondContact O-OH 3.11Å; L1371-Y1373 HydrophobicContact CB-CE2 3.81Å
1374T94.9Very high89.4Confident67 Ų6760.3 Ų60.341%0.41133%0.332SS..EExtended strand (participates in β ladder)trans-114119.5168.3-50.30000108.4P1324 F1325 F1353 S1354P1324-T1374 HydrophobicContact CB-CG2 3.81Å; F1325-T1374 CarbonylContact O-C 3.55Å; F1325-T1374 WeakPolarHBondContact O-CA 3.45Å; F1353-T1374 CarbonylContact C-O 3.58Å; F1353-T1374 VanDerWaalsContact CA-O 3.23Å; F1353-T1374 WeakPolarHBondContact CA-O 3.28Å; S1354-T1374 PolarHBondContact N-O 3.12Å; S1354-T1374 PolarHBondContact O-N 3.24Å
1375L94.9Very high89.8Confident1 Ų156.7 Ų56.71%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-93.9142.1175.4-55.4-170.9000109.9P1324 F1325 I1327 F1351 F1353 L1385 P1386P1324-L1375 CarbonylContact C-O 3.55Å; P1324-L1375 VanDerWaalsContact CA-O 3.25Å; P1324-L1375 WeakPolarHBondContact CA-O 3.33Å; F1325-L1375 HydrophobicContact CD2-CB 4.45Å; F1325-L1375 HydrophobicContact CE1-CB 4.02Å; F1325-L1375 HydrophobicContact CE2-CB 3.92Å; F1325-L1375 HydrophobicContact CE2-CD1 3.86Å; F1325-L1375 HydrophobicContact CE2-CG 4.19Å; F1325-L1375 HydrophobicContact CZ-CB 3.67Å; F1325-L1375 HydrophobicContact CZ-CD1 3.83Å; F1325-L1375 HydrophobicContact CZ-CG 4.25Å; F1325-L1375 PolarHBondContact N-O 2.94Å; F1325-L1375 PolarHBondContact O-N 3.23Å; I1327-L1375 HydrophobicContact CG2-CD1 4.04Å; I1327-L1375 HydrophobicContact CG2-CD2 4.14Å; I1327-L1375 HydrophobicContact CG2-CG 3.81Å; F1351-L1375 HydrophobicContact CD1-CB 4Å; F1351-L1375 HydrophobicContact CD1-CD1 4.33Å; F1351-L1375 HydrophobicContact CE1-CD1 4.49Å; F1353-L1375 HydrophobicContact CB-CD2 3.52Å; L1375-L1385 HydrophobicContact CD1-CD2 3.78Å; L1375-P1386 HydrophobicContact CD1-CG 4.36Å; L1375-P1386 HydrophobicContact CD2-CG 4.07Å
1376L94.3Very high90.5Very high50 Ų5055.4 Ų55.426%0.26231%0.305SS..EExtended strand (participates in β ladder)trans-124.6106173175.669.3000108L1322 P1324 F1351 M1352L1322-L1376 VanDerWaalsContact C-CD1 3.43Å; L1322-L1376 VanDerWaalsContact O-CD1 3.3Å; L1322-L1376 WeakPolarHBondContact O-CD1 3.49Å; P1324-L1376 HydrophobicContact CB-CD1 4.21Å; F1351-L1376 WeakPolarHBondContact CA-O 3.43Å; M1352-L1376 HydrophobicContact CB-CB 4.25Å; M1352-L1376 PolarHBondContact N-O 3.45Å; M1352-L1376 PolarHBondContact O-N 2.98Å; M1352-L1376 HydrophobicContact SD-CD2 4.46Å
1377P93.9Very high91.4Very high0 Ų052.1 Ų52.10%028%0.283CS..EExtended strand (participates in β ladder)trans-74.6132.5-179.429.2-32.2000111.2V1320 L1322 T1323 F1325 F1351 V1427V1320-P1377 WeakPolarHBondContact O-CG 3.05Å; L1322-P1377 PolarHBondContact N-O 3.17Å; T1323-P1377 VanDerWaalsContact O-CD 3.3Å; T1323-P1377 WeakPolarHBondContact O-CD 3.22Å; F1325-P1377 HydrophobicContact CE1-CG 4.15Å; F1351-P1377 HydrophobicContact CD1-CB 3.82Å; F1351-P1377 HydrophobicContact CE1-CB 3.67Å; F1351-P1377 HydrophobicContact CE1-CG 4.48Å; P1377-V1427 HydrophobicContact CB-CB 4.42Å; P1377-V1427 HydrophobicContact CB-CG1 3.76Å; P1377-V1427 HydrophobicContact CB-CG2 3.86Å; P1377-V1427 HydrophobicContact CG-CG1 3.88Å; P1377-V1427 HydrophobicContact CG-CG2 4.39Å
1378L92.5Very high92.1Very high72 Ų7249.3 Ų49.338%0.37726%0.263SS..SBendtrans-93.6-15.4-177.2-59.6-175.6000113.8G1350 M1352G1350-L1378 PolarHBondContact O-N 2.69Å; M1352-L1378 HydrophobicContact CG-CD1 4.12Å; M1352-L1378 HydrophobicContact CG-CD2 4.08Å; M1352-L1378 HydrophobicContact CG-CG 4.38Å; M1352-L1378 HydrophobicContact SD-CD2 4.08Å
1379V92.3Very high92.4Very high70 Ų7049.9 Ų49.942%0.42426%0.26SS..SBendtrans-141.9162-176.8-69.70000110L1383 V1427V1379-L1383 HydrophobicContact CG2-CD1 3.83Å; V1379-L1383 HydrophobicContact CG2-CD2 3.83Å; V1379-V1427 WeakPolarHBondContact O-CG1 3.14Å
1380S90.5Very high92.6Very high57 Ų5747.1 Ų47.140%0.39925%0.249SC..  trans-97.5154.8171.455.30000112.1V1427S1380-V1427 CarbonylContact C-O 3.55Å; S1380-V1427 WeakPolarHBondContact CA-O 2.77Å; S1380-V1427 WeakPolarHBondContact CB-O 3.02Å
1381G92.1Very high92.5Very high32 Ų3245.7 Ų45.733%0.3325%0.248SC..EExtended strand (participates in β ladder)trans132-175-179.300000112.5L1383 V1427G1381-L1383 PolarHBondContact O-N 3.13Å; G1381-V1427 PolarHBondContact N-O 3.02Å; G1381-V1427 PolarHBondContact O-N 3.11Å
1382N91Very high92.3Very high113 Ų11345.7 Ų45.760%0.60425%0.248SC*.EExtended strand (participates in β ladder)trans-82.7103.5169.9-175.716.7000109.2
1383L92.3Very high91.6Very high24 Ų2443.4 Ų43.413%0.12623%0.234CC..EExtended strand (participates in β ladder)trans-104.8137.9-170.7-52.3-172.9000111.6F1351 V1379 G1381 L1385 H1424 L1425 V1427F1351-L1383 HydrophobicContact CD2-CD1 4.49Å; F1351-L1383 HydrophobicContact CE2-CB 3.62Å; F1351-L1383 HydrophobicContact CE2-CD1 3.86Å; F1351-L1383 HydrophobicContact CE2-CG 4.42Å; F1351-L1383 HydrophobicContact CZ-CB 3.99Å; F1351-L1383 HydrophobicContact CZ-CD1 3.89Å; V1379-L1383 HydrophobicContact CG2-CD1 3.83Å; V1379-L1383 HydrophobicContact CG2-CD2 3.83Å; G1381-L1383 PolarHBondContact O-N 3.13Å; L1383-L1385 PolarHBondContact O-N 2.7Å; L1383-H1424 CarbonylContact O-C 3.24Å; L1383-H1424 WeakPolarHBondContact O-CA 2.88Å; L1383-L1425 PolarHBondContact N-O 3.21Å; L1383-L1425 PolarHBondContact O-N 3.22Å; L1383-V1427 HydrophobicContact CD1-CB 4.24Å; L1383-V1427 HydrophobicContact CD1-CG2 3.75Å; L1383-V1427 HydrophobicContact CG-CG2 4.13Å
1384K92Very high90.4Very high93 Ų9348 Ų4840%0.40425%0.251SS..EExtended strand (participates in β ladder)trans-59.2133.1165.3-174.4-159.4159.9-167.80109.2E1346 I1348 F1351 T1423 H1424E1346-K1384 IonicContact OE1-NZ 2.73Å; E1346-K1384 PolarHBondContact OE1-NZ 2.87Å; E1346-K1384 IonicContact OE2-NZ 2.92Å; E1346-K1384 PolarHBondContact OE2-NZ 2.96Å; I1348-K1384 WeakPolarHBondContact CD1-O 3.45Å; F1351-K1384 WeakPolarHBondContact CE2-O 3.18Å; K1384-T1423 WeakPolarHBondContact CA-O 2.91Å; K1384-H1424 VanDerWaalsContact CA-CD2 3.48Å; K1384-H1424 WeakPolarHBondContact CA-CD2 3.49Å; K1384-H1424 PolarHBondContact N-CD2 2.93Å
1385L92.3Very high89.2Confident8 Ų849.1 Ų49.14%0.04225%0.248CC..PPolyproline II helixtrans-79.9157.7173.5-75.6167.5000112L1315 I1348 F1351 L1375 L1383 R1387 P1422 T1423 L1425L1315-L1385 HydrophobicContact CD1-CD1 3.65Å; I1348-L1385 VanDerWaalsContact CD1-C 3.48Å; F1351-L1385 HydrophobicContact CE2-CD2 4.17Å; F1351-L1385 HydrophobicContact CZ-CD2 3.96Å; L1375-L1385 HydrophobicContact CD1-CD2 3.78Å; L1383-L1385 PolarHBondContact O-N 2.7Å; L1385-R1387 PolarHBondContact O-N 2.64Å; L1385-P1422 HydrophobicContact CD1-CB 4.37Å; L1385-P1422 WeakPolarHBondContact CD1-O 3.21Å; L1385-T1423 PolarHBondContact N-O 3.18Å; L1385-L1425 HydrophobicContact CD1-CB 4.14Å; L1385-L1425 HydrophobicContact CD2-CB 3.88Å; L1385-L1425 HydrophobicContact CD2-CD2 4.32Å; L1385-L1425 HydrophobicContact CG-CB 4Å
1386P92.7Very high87.5Confident9 Ų950.7 Ų50.76%0.05826%0.262CS..PPolyproline II helixtrans-60.8120.4173.1-21.933.9000111.4L1345 I1348 F1351 L1375L1345-P1386 HydrophobicContact CD1-CB 3.98Å; L1345-P1386 HydrophobicContact CD2-CB 4.05Å; L1345-P1386 HydrophobicContact CG-CB 3.81Å; I1348-P1386 HydrophobicContact CD1-CB 4.44Å; I1348-P1386 HydrophobicContact CD1-CG 3.98Å; I1348-P1386 HydrophobicContact CG1-CB 4.44Å; I1348-P1386 HydrophobicContact CG1-CG 4.08Å; F1351-P1386 HydrophobicContact CB-CG 4.47Å; L1375-P1386 HydrophobicContact CD1-CG 4.36Å; L1375-P1386 HydrophobicContact CD2-CG 4.07Å
1387R91.7Very high85.4Confident68 Ų6853.5 Ų53.526%0.25728%0.281SS..PPolyproline II helixtrans-69.3133.2178.6-175.9175.3173.5126.9-11.5110.7E1346 L1385 H1389 E1414 E1415E1346-R1387 HydrophobicContact CB-CB 4.15Å; E1346-R1387 WeakPolarHBondContact CB-O 3.36Å; E1346-R1387 PolarHBondContact N-O 2.88Å; E1346-R1387 WeakPolarHBondContact OE2-CB 2.92Å; E1346-R1387 PolarHBondContact OE2-N 2.91Å; L1385-R1387 PolarHBondContact O-N 2.64Å; R1387-H1389 PolarHBondContact NE-CE1 2.98Å; R1387-E1414 IonicContact CZ-OE2 2.8Å; R1387-E1414 IonicContact NE-OE2 2.71Å; R1387-E1414 PolarHBondContact NE-OE2 2.86Å; R1387-E1414 IonicContact NH2-OE2 3.23Å; R1387-E1414 PolarHBondContact NH2-OE2 3.37Å; R1387-E1415 IonicContact CZ-OE1 3.04Å; R1387-E1415 IonicContact NH1-OE1 2.88Å; R1387-E1415 PolarHBondContact NH1-OE1 3.31Å; R1387-E1415 IonicContact NH1-OE2 2.69Å; R1387-E1415 IonicContact NH2-OE1 3.61Å; R1387-E1415 PolarHBondContact NH2-OE1 2.83Å
1388L92.4Very high83.1Confident4 Ų460.6 Ų60.62%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-86.6114.2167.4-177.869000109.2F1329 F1343 L1345 V1390 L1418F1329-L1388 HydrophobicContact CB-CD2 4.22Å; F1329-L1388 HydrophobicContact CD1-CB 4.49Å; F1329-L1388 HydrophobicContact CD1-CD2 3.69Å; F1329-L1388 HydrophobicContact CD2-CD2 4.31Å; F1329-L1388 HydrophobicContact CE1-CB 4.01Å; F1329-L1388 HydrophobicContact CE1-CD2 4.07Å; F1329-L1388 HydrophobicContact CG-CD2 3.82Å; F1329-L1388 HydrophobicContact CZ-CB 4.1Å; F1343-L1388 HydrophobicContact CB-CD1 4.17Å; F1343-L1388 HydrophobicContact CD1-CD1 4.2Å; F1343-L1388 HydrophobicContact CD1-CD2 4.02Å; F1343-L1388 HydrophobicContact CD1-CG 4.2Å; F1343-L1388 HydrophobicContact CE1-CD2 4.47Å; L1345-L1388 HydrophobicContact CD1-CB 4.29Å; L1345-L1388 HydrophobicContact CD1-CD1 4.31Å; L1388-V1390 HydrophobicContact CD2-CG2 4.39Å; L1388-V1390 HydrophobicContact CG-CG2 4.25Å; L1388-L1418 HydrophobicContact CB-CD2 4.45Å; L1388-L1418 WeakPolarHBondContact O-CD1 3.06Å
1389H93.2Very high80.6Confident65 Ų6560 Ų6030%0.30132%0.32SS..EExtended strand (participates in β ladder)trans-84.8143.7170-71.6-69.4000111.7F1343 Q1344 R1387 E1414F1343-H1389 WeakPolarHBondContact CA-O 3.08Å; Q1344-H1389 HydrophobicContact CB-CB 4.49Å; Q1344-H1389 PolarHBondContact N-O 2.62Å; Q1344-H1389 VanDerWaalsContact N-O 3.08Å; Q1344-H1389 PolarHBondContact O-N 2.98Å; R1387-H1389 PolarHBondContact NE-CE1 2.98Å; H1389-E1414 VanDerWaalsContact CA-OE1 3.24Å; H1389-E1414 WeakPolarHBondContact CA-OE1 3.35Å; H1389-E1414 IonicContact CE1-OE2 3.98Å; H1389-E1414 IonicContact CG-OE1 2.85Å; H1389-E1414 IonicContact ND1-OE1 2.63Å; H1389-E1414 PolarHBondContact ND1-OE1 2.87Å; H1389-E1414 IonicContact ND1-OE2 2.89Å; H1389-E1414 PolarHBondContact ND1-OE2 3.01Å
1390V91.1Very high78.2Confident11 Ų1161.9 Ų61.97%0.06734%0.336CS..EExtended strand (participates in β ladder)trans-135.8105.6-168.5-174.60000110.7I1311 F1343 L1388 L1392 E1414 L1417 L1418I1311-V1390 HydrophobicContact CD1-CB 4.49Å; I1311-V1390 HydrophobicContact CD1-CG1 4.06Å; I1311-V1390 HydrophobicContact CD1-CG2 3.74Å; F1343-V1390 HydrophobicContact CD1-CG1 4.36Å; F1343-V1390 HydrophobicContact CD1-CG2 3.98Å; F1343-V1390 HydrophobicContact CE1-CB 4.28Å; F1343-V1390 HydrophobicContact CE1-CG1 3.71Å; F1343-V1390 HydrophobicContact CE1-CG2 3.85Å; F1343-V1390 HydrophobicContact CZ-CG1 4.3Å; L1388-V1390 HydrophobicContact CD2-CG2 4.39Å; L1388-V1390 HydrophobicContact CG-CG2 4.25Å; V1390-L1392 HydrophobicContact CG1-CD2 3.97Å; V1390-L1392 HydrophobicContact CG1-CG 4.48Å; V1390-E1414 PolarHBondContact N-OE1 3.48Å; V1390-L1417 HydrophobicContact CG1-CD1 4.21Å; V1390-L1418 HydrophobicContact CG2-CD2 4Å
1391I89.7Confident75.9Confident89 Ų8966 Ų6646%0.45635%0.354SS..EExtended strand (participates in β ladder)trans-110.8117.8177.2-56.8174.2000109.4A1341 V1342 A1396A1341-I1391 CarbonylContact C-O 3.51Å; A1341-I1391 WeakPolarHBondContact CA-O 3.19Å; V1342-I1391 HydrophobicContact CB-CB 4.37Å; V1342-I1391 PolarHBondContact N-O 2.95Å; V1342-I1391 PolarHBondContact O-N 2.88Å; I1391-A1396 HydrophobicContact CG2-CB 4.37Å
1392L85.9Confident73.5Confident8 Ų869.8 Ų69.84%0.04237%0.371CS..EExtended strand (participates in β ladder)trans-97.9107.4176.7-52.7-174.6000109.7P1308 I1309 A1341 V1390 R1394 Y1395 A1396 L1417P1308-L1392 HydrophobicContact CG-CD1 3.89Å; I1309-L1392 HydrophobicContact CD1-CD1 3.92Å; I1309-L1392 HydrophobicContact CD1-CD2 3.44Å; I1309-L1392 VanDerWaalsContact CD1-CD2 3.44Å; I1309-L1392 HydrophobicContact CD1-CG 4.33Å; A1341-L1392 HydrophobicContact CB-CD2 3.69Å; V1390-L1392 HydrophobicContact CG1-CD2 3.97Å; V1390-L1392 HydrophobicContact CG1-CG 4.48Å; L1392-R1394 VanDerWaalsContact C-N 3.28Å; L1392-R1394 PolarHBondContact O-N 2.78Å; L1392-Y1395 HydrophobicContact CB-CD2 3.77Å; L1392-Y1395 HydrophobicContact CD1-CD2 4.13Å; L1392-Y1395 HydrophobicContact CD1-CE2 4.4Å; L1392-Y1395 PolarHBondContact O-N 3.21Å; L1392-A1396 PolarHBondContact O-N 2.74Å; L1392-L1417 HydrophobicContact CD1-CD1 4.19Å
1393E78.6Confident71.3Confident63 Ų6372.6 Ų72.629%0.29438%0.38SS..Hα-helixtrans-61.4-35.1-167-69-173.7-173.600113.1E1340 V1342 K1360 Y1395 A1396 T1397E1340-E1393 PolarHBondContact O-N 3.42Å; V1342-E1393 HydrophobicContact CG2-CG 4.4Å; V1342-E1393 WeakPolarHBondContact CG2-OE1 3.03Å; K1360-E1393 WeakPolarHBondContact CD-OE1 2.94Å; K1360-E1393 WeakPolarHBondContact CE-OE1 3.09Å; K1360-E1393 IonicContact NZ-OE1 2.72Å; K1360-E1393 PolarHBondContact NZ-OE1 3.01Å; K1360-E1393 IonicContact NZ-OE2 3.38Å; K1360-E1393 PolarHBondContact NZ-OE2 3.12Å; E1393-Y1395 PolarHBondContact O-N 3.1Å; E1393-A1396 PolarHBondContact O-N 2.9Å; E1393-T1397 WeakPolarHBondContact O-CG2 3.02Å; E1393-T1397 PolarHBondContact O-N 2.81Å; E1393-T1397 VanDerWaalsContact O-N 3.17Å; E1393-T1397 PolarHBondContact O-OG1 3.03Å; E1393-T1397 VanDerWaalsContact O-OG1 3.07Å
1394R70.7Confident69.2Low104 Ų10478.2 Ų78.239%0.39241%0.41SS..Hα-helixtrans-60-33.7176.4-62.6-165.3-174.9-156.51.7113.3P1338 Q1339 L1392 T1397P1338-R1394 PolarHBondContact O-NH2 2.62Å; Q1339-R1394 VanDerWaalsContact OE1-CD 3.28Å; L1392-R1394 VanDerWaalsContact C-N 3.28Å; L1392-R1394 PolarHBondContact O-N 2.78Å; R1394-T1397 PolarHBondContact O-OG1 2.84Å
1395Y69.6Low67Low91 Ų9180.3 Ų80.336%0.35743%0.426SS..Hα-helixtrans-88.8-31.3-179.1-63.5-92.6000110.9P1308 L1392 E1393 T1397P1308-Y1395 HydrophobicContact CB-CE2 4.17Å; P1308-Y1395 WeakPolarHBondContact CB-OH 3.18Å; P1308-Y1395 HydrophobicContact CG-CE2 4.07Å; L1392-Y1395 HydrophobicContact CB-CD2 3.77Å; L1392-Y1395 HydrophobicContact CD1-CD2 4.13Å; L1392-Y1395 HydrophobicContact CD1-CE2 4.4Å; L1392-Y1395 PolarHBondContact O-N 3.21Å; E1393-Y1395 PolarHBondContact O-N 3.1Å; Y1395-T1397 VanDerWaalsContact C-N 3.29Å; Y1395-T1397 PolarHBondContact O-N 2.86Å
1396A58.5Low65Low34 Ų3483.9 Ų83.928%0.28144%0.442SS..Hα-helixtrans-65.4-25.9173.600000114I1391 L1392 E1393 S1399I1391-A1396 HydrophobicContact CG2-CB 4.37Å; L1392-A1396 PolarHBondContact O-N 2.74Å; E1393-A1396 PolarHBondContact O-N 2.9Å; A1396-S1399 PolarHBondContact O-OG 2.81Å
1397T50.7Low62.9Low109 Ų10987 Ų8767%0.66946%0.463SS*.THydrogen-bonded Turntrans-92.1-0.7-174.750.80000116.3E1393 R1394 Y1395 S1399E1393-T1397 WeakPolarHBondContact O-CG2 3.02Å; E1393-T1397 PolarHBondContact O-N 2.81Å; E1393-T1397 VanDerWaalsContact O-N 3.17Å; E1393-T1397 PolarHBondContact O-OG1 3.03Å; E1393-T1397 VanDerWaalsContact O-OG1 3.07Å; R1394-T1397 PolarHBondContact O-OG1 2.84Å; Y1395-T1397 VanDerWaalsContact C-N 3.29Å; Y1395-T1397 PolarHBondContact O-N 2.86Å; T1397-S1399 PolarHBondContact O-N 3.05Å; T1397-S1399 VanDerWaalsContact O-N 3.15Å
1398L46.3Very low61.5Low148 Ų14889.1 Ų89.178%0.77548%0.479SS*.SBendtrans-8120.9-179-82.8161.1000114
1399S39.3Very low60.3Low60 Ų6094.3 Ų94.342%0.4251%0.506SS..  trans-119.312.8-141.647.10000116.4A1396 T1397 N1401A1396-S1399 PolarHBondContact O-OG 2.81Å; T1397-S1399 PolarHBondContact O-N 3.05Å; T1397-S1399 VanDerWaalsContact O-N 3.15Å; S1399-N1401 PolarHBondContact O-N 3.26Å
1400S41.2Very low59.2Low110 Ų11095.3 Ų95.377%0.76951%0.511SS*.SBendtrans-80.1-12.9-165.3620000117.8
1401N42.4Very low58.7Low142 Ų14299 Ų9976%0.75953%0.529SS*.SBendtrans-122.9-9.2-155.7-81.837.1000118.8S1399S1399-N1401 PolarHBondContact O-N 3.26Å
1402T42.8Very low58.2Low113 Ų113100.7 Ų100.769%0.69354%0.535SS*.  trans-142.7112.5-174.847.20000111.7Q1406T1402-Q1406 VanDerWaalsContact O-CG 3.23Å; T1402-Q1406 WeakPolarHBondContact O-CG 3.34Å; T1402-Q1406 PolarHBondContact O-NE2 2.82Å
1403Q44.1Very low58.2Low172 Ų172102.2 Ų102.280%0.80454%0.543SS*.  trans-88-17-155.2-84.3-172.8-32.900118.9
1404N48Very low58.6Low141 Ų141100.4 Ų100.475%0.75453%0.534SS*.SBendtrans-99.3-46.1-164.7-71.69.6000115.4Q1406N1404-Q1406 PolarHBondContact O-N 3.41Å; N1404-Q1406 VanDerWaalsContact O-N 3.11Å
1405D45.9Very low59.4Low137 Ų13799.6 Ų99.673%0.73354%0.535SS*.SBendtrans-8724.9-172.8-44.9-55.6000113.3
1406Q49.5Very low60.3Low83 Ų8396.5 Ų96.539%0.38853%0.525SS..Hα-helixtrans-76.2-48.1-163.9-62.6-167.4-2700117T1402 N1404T1402-Q1406 VanDerWaalsContact O-CG 3.23Å; T1402-Q1406 WeakPolarHBondContact O-CG 3.34Å; T1402-Q1406 PolarHBondContact O-NE2 2.82Å; N1404-Q1406 PolarHBondContact O-N 3.41Å; N1404-Q1406 VanDerWaalsContact O-N 3.11Å
1407P50.4Low61.7Low76 Ų7695.2 Ų95.249%0.49451%0.513SS..Hα-helixtrans-71.7-35.2-16927.7-33.8000112.2I1409 H1410 I1411P1407-I1409 VanDerWaalsContact C-N 3.32Å; P1407-I1409 PolarHBondContact O-N 3.36Å; P1407-H1410 PolarHBondContact O-N 3.38Å; P1407-H1410 VanDerWaalsContact O-N 3.15Å; P1407-I1411 HydrophobicContact CB-CD1 4.35Å; P1407-I1411 WeakPolarHBondContact O-CG1 3.46Å; P1407-I1411 PolarHBondContact O-N 3.01Å
1408D60.9Low63.5Low111 Ų11190.9 Ų90.959%0.59449%0.486SS*.Hα-helixtrans-64.4-34.6-172.8-69.8-12.8000112.4H1410 I1411 Q1412D1408-H1410 VanDerWaalsContact C-N 3.34Å; D1408-H1410 PolarHBondContact O-N 3.12Å; D1408-I1411 PolarHBondContact O-N 3.28Å; D1408-Q1412 WeakPolarHBondContact O-CB 3.47Å; D1408-Q1412 PolarHBondContact O-N 2.83Å
1409I68Low65.4Low114 Ų11486.6 Ų86.659%0.58546%0.459SS*.Hα-helixtrans-63.8-40.4176.9-59.6176000111P1407 L1413P1407-I1409 VanDerWaalsContact C-N 3.32Å; P1407-I1409 PolarHBondContact O-N 3.36Å; I1409-L1413 WeakPolarHBondContact O-CB 3.38Å; I1409-L1413 PolarHBondContact O-N 2.75Å
1410H70.8Confident67.3Low86 Ų8686.2 Ų86.240%0.39845%0.451SS..Hα-helixtrans-72.3-40.2177.8-76.9-54.1000112.2P1407 D1408 L1413 E1414P1407-H1410 PolarHBondContact O-N 3.38Å; P1407-H1410 VanDerWaalsContact O-N 3.15Å; D1408-H1410 VanDerWaalsContact C-N 3.34Å; D1408-H1410 PolarHBondContact O-N 3.12Å; H1410-L1413 PolarHBondContact O-N 3.14Å; H1410-E1414 PolarHBondContact O-N 3.29Å
1411I79.1Confident69.5Low88 Ų8882 Ų8245%0.45142%0.42SS..Hα-helixtrans-63.7-48.7175.3-65.8165.3000109.9P1407 D1408 L1413 E1414 E1415P1407-I1411 HydrophobicContact CB-CD1 4.35Å; P1407-I1411 WeakPolarHBondContact O-CG1 3.46Å; P1407-I1411 PolarHBondContact O-N 3.01Å; D1408-I1411 PolarHBondContact O-N 3.28Å; I1411-L1413 VanDerWaalsContact C-N 3.3Å; I1411-L1413 PolarHBondContact O-N 3.29Å; I1411-E1414 PolarHBondContact O-N 2.73Å; I1411-E1414 VanDerWaalsContact O-N 3.11Å; I1411-E1415 HydrophobicContact CG2-CG 4.25Å; I1411-E1415 WeakPolarHBondContact O-CG 3.21Å; I1411-E1415 PolarHBondContact O-N 2.7Å
1412Q80.4Confident71.7Confident125 Ų12577.1 Ų77.158%0.58440%0.396SS*.Hα-helixtrans-62.9-34.9179.2-169.9177.424.700112.2D1408 N1416D1408-Q1412 WeakPolarHBondContact O-CB 3.47Å; D1408-Q1412 PolarHBondContact O-N 2.83Å; Q1412-N1416 VanDerWaalsContact O-CB 3.27Å; Q1412-N1416 WeakPolarHBondContact O-CB 3.49Å; Q1412-N1416 PolarHBondContact O-N 3.2Å; Q1412-N1416 PolarHBondContact O-ND2 2.79Å
1413L84.7Confident73.9Confident39 Ų3975.1 Ų75.120%0.20438%0.384CS..Hα-helixtrans-67.2-44171.3-17860.3000111.9L1307 I1409 H1410 I1411 N1416 L1417L1307-L1413 HydrophobicContact CD2-CD1 4.01Å; I1409-L1413 WeakPolarHBondContact O-CB 3.38Å; I1409-L1413 PolarHBondContact O-N 2.75Å; H1410-L1413 PolarHBondContact O-N 3.14Å; I1411-L1413 VanDerWaalsContact C-N 3.3Å; I1411-L1413 PolarHBondContact O-N 3.29Å; L1413-N1416 PolarHBondContact O-N 2.64Å; L1413-L1417 HydrophobicContact CD1-CD1 4.16Å; L1413-L1417 HydrophobicContact CD1-CG 4.21Å; L1413-L1417 HydrophobicContact CG-CD1 3.95Å; L1413-L1417 HydrophobicContact CG-CG 4.45Å; L1413-L1417 WeakPolarHBondContact O-CB 3.42Å; L1413-L1417 WeakPolarHBondContact O-CG 3.47Å; L1413-L1417 PolarHBondContact O-N 3.31Å
1414E88.1Confident76.1Confident25 Ų2571.2 Ų71.212%0.11737%0.366CS..Hα-helixtrans-62.9-47176.4-172.4175.7-98.400111.5R1387 H1389 V1390 H1410 I1411 N1416 L1417 L1418R1387-E1414 IonicContact CZ-OE2 2.8Å; R1387-E1414 IonicContact NE-OE2 2.71Å; R1387-E1414 PolarHBondContact NE-OE2 2.86Å; R1387-E1414 IonicContact NH2-OE2 3.23Å; R1387-E1414 PolarHBondContact NH2-OE2 3.37Å; H1389-E1414 VanDerWaalsContact CA-OE1 3.24Å; H1389-E1414 WeakPolarHBondContact CA-OE1 3.35Å; H1389-E1414 IonicContact CE1-OE2 3.98Å; H1389-E1414 IonicContact CG-OE1 2.85Å; H1389-E1414 IonicContact ND1-OE1 2.63Å; H1389-E1414 PolarHBondContact ND1-OE1 2.87Å; H1389-E1414 IonicContact ND1-OE2 2.89Å; H1389-E1414 PolarHBondContact ND1-OE2 3.01Å; V1390-E1414 PolarHBondContact N-OE1 3.48Å; H1410-E1414 PolarHBondContact O-N 3.29Å; I1411-E1414 PolarHBondContact O-N 2.73Å; I1411-E1414 VanDerWaalsContact O-N 3.11Å; E1414-N1416 VanDerWaalsContact C-N 3.32Å; E1414-N1416 PolarHBondContact O-N 3.19Å; E1414-L1417 PolarHBondContact O-N 2.92Å; E1414-L1418 HydrophobicContact CG-CD1 3.62Å; E1414-L1418 HydrophobicContact CG-CG 4.27Å; E1414-L1418 WeakPolarHBondContact O-CB 3.15Å; E1414-L1418 VanDerWaalsContact O-CG 3.31Å; E1414-L1418 WeakPolarHBondContact O-CG 3.46Å; E1414-L1418 PolarHBondContact O-N 3.21Å
1415E87.7Confident78.2Confident88 Ų8865 Ų6541%0.41133%0.332SS..Hα-helixtrans-61.5-36.7176.1-66.5-61150.200112.6R1387 I1411 R1419R1387-E1415 IonicContact CZ-OE1 3.04Å; R1387-E1415 IonicContact NH1-OE1 2.88Å; R1387-E1415 PolarHBondContact NH1-OE1 3.31Å; R1387-E1415 IonicContact NH1-OE2 2.69Å; R1387-E1415 IonicContact NH2-OE1 3.61Å; R1387-E1415 PolarHBondContact NH2-OE1 2.83Å; I1411-E1415 HydrophobicContact CG2-CG 4.25Å; I1411-E1415 WeakPolarHBondContact O-CG 3.21Å; I1411-E1415 PolarHBondContact O-N 2.7Å; E1415-R1419 PolarHBondContact O-N 2.87Å
1416N87.1Confident80.4Confident25 Ų2563.3 Ų63.313%0.13432%0.322CS..Hα-helixtrans-70.3-40174.7-77.3-33.1000112.3L1307 Q1412 L1413 E1414 R1419L1307-N1416 HydrophobicContact CD1-CB 4.21Å; L1307-N1416 WeakPolarHBondContact CD1-O 3.39Å; L1307-N1416 HydrophobicContact CD2-CB 4.06Å; Q1412-N1416 VanDerWaalsContact O-CB 3.27Å; Q1412-N1416 WeakPolarHBondContact O-CB 3.49Å; Q1412-N1416 PolarHBondContact O-N 3.2Å; Q1412-N1416 PolarHBondContact O-ND2 2.79Å; L1413-N1416 PolarHBondContact O-N 2.64Å; E1414-N1416 VanDerWaalsContact C-N 3.32Å; E1414-N1416 PolarHBondContact O-N 3.19Å; N1416-R1419 PolarHBondContact OD1-NH2 3.09Å
1417L88.4Confident82.5Confident7 Ų759.5 Ų59.54%0.03731%0.305CS..Hα-helixtrans-66.9-35.6176.9-73.2168.1000112.6L1307 I1309 I1311 V1390 L1392 L1413 E1414L1307-L1417 HydrophobicContact CB-CD2 4.2Å; L1307-L1417 HydrophobicContact CD1-CD2 4.28Å; I1309-L1417 HydrophobicContact CB-CD2 4.38Å; I1309-L1417 WeakPolarHBondContact O-CD2 3.07Å; I1311-L1417 HydrophobicContact CD1-CB 4.28Å; V1390-L1417 HydrophobicContact CG1-CD1 4.21Å; L1392-L1417 HydrophobicContact CD1-CD1 4.19Å; L1413-L1417 HydrophobicContact CD1-CD1 4.16Å; L1413-L1417 HydrophobicContact CD1-CG 4.21Å; L1413-L1417 HydrophobicContact CG-CD1 3.95Å; L1413-L1417 HydrophobicContact CG-CG 4.45Å; L1413-L1417 WeakPolarHBondContact O-CB 3.42Å; L1413-L1417 WeakPolarHBondContact O-CG 3.47Å; L1413-L1417 PolarHBondContact O-N 3.31Å; E1414-L1417 PolarHBondContact O-N 2.92Å
1418L88.2Confident84.5Confident18 Ų1859.7 Ų59.79%0.09430%0.301CS..THydrogen-bonded Turntrans-91.1-0.3-177.1-64175.1000114I1311 L1388 V1390 E1414 Q1420 V1421I1311-L1418 HydrophobicContact CD1-CD2 4.39Å; L1388-L1418 HydrophobicContact CB-CD2 4.45Å; L1388-L1418 WeakPolarHBondContact O-CD1 3.06Å; V1390-L1418 HydrophobicContact CG2-CD2 4Å; E1414-L1418 HydrophobicContact CG-CD1 3.62Å; E1414-L1418 HydrophobicContact CG-CG 4.27Å; E1414-L1418 WeakPolarHBondContact O-CB 3.15Å; E1414-L1418 VanDerWaalsContact O-CG 3.31Å; E1414-L1418 WeakPolarHBondContact O-CG 3.46Å; E1414-L1418 PolarHBondContact O-N 3.21Å; L1418-Q1420 PolarHBondContact O-N 3.22Å; L1418-Q1420 VanDerWaalsContact O-N 3.07Å; L1418-V1421 HydrophobicContact CD2-CG2 4.2Å; L1418-V1421 WeakPolarHBondContact O-CB 3.43Å; L1418-V1421 PolarHBondContact O-N 2.54Å
1419R85.8Confident85.8Confident59 Ų5957.9 Ų57.922%0.22330%0.295CS..THydrogen-bonded Turntrans-58.2-28.4-169.1-159.2-167.9-70.2-173.9-2.3115.2S1194 I1196 E1415 N1416S1194-R1419 PolarHBondContact O-NH1 2.8Å; S1194-R1419 PolarHBondContact OG-NH2 3.03Å; I1196-R1419 HydrophobicContact CD1-CB 4.43Å; E1415-R1419 PolarHBondContact O-N 2.87Å; N1416-R1419 PolarHBondContact OD1-NH2 3.09Å
1420Q79.6Confident86.3Confident52 Ų5254.2 Ų54.224%0.24328%0.28CS..THydrogen-bonded Turntrans-89.8-4.1175.7-75.3-162.4-49.500114.2T1199 L1418 P1422T1199-Q1420 VanDerWaalsContact CG2-CD 3.48Å; T1199-Q1420 HydrophobicContact CG2-CG 3.96Å; L1418-Q1420 PolarHBondContact O-N 3.22Å; L1418-Q1420 VanDerWaalsContact O-N 3.07Å; Q1420-P1422 WeakPolarHBondContact O-CD 3.19Å
1421V88.3Confident86.2Confident20 Ų2054.2 Ų54.212%0.12129%0.286CS..SBendtrans-82.8124.4178.9178.70000109.7I1311 A1313 F1329 L1418 T1423I1311-V1421 HydrophobicContact CG2-CG2 3.99Å; A1313-V1421 HydrophobicContact CB-CG1 4.04Å; A1313-V1421 HydrophobicContact CB-CG2 4.4Å; F1329-V1421 HydrophobicContact CE1-CG1 3.9Å; L1418-V1421 HydrophobicContact CD2-CG2 4.2Å; L1418-V1421 WeakPolarHBondContact O-CB 3.43Å; L1418-V1421 PolarHBondContact O-N 2.54Å; V1421-T1423 PolarHBondContact O-N 2.97Å
1422P88.3Confident85Confident40 Ų4056.5 Ų56.526%0.2630%0.299SS..  trans-59.7132.7174.4-27.838.7000112.3T1188 L1315 L1385 Q1420T1188-P1422 HydrophobicContact CG2-CG 4.35Å; L1315-P1422 HydrophobicContact CD2-CG 4.05Å; L1385-P1422 HydrophobicContact CD1-CB 4.37Å; L1385-P1422 WeakPolarHBondContact CD1-O 3.21Å; Q1420-P1422 WeakPolarHBondContact O-CD 3.19Å
1423T88.4Confident83.5Confident71 Ų7153.5 Ų53.544%0.43630%0.301SS..  trans-94.3-14.7-176.258.70000113.6K1384 L1385 V1421K1384-T1423 WeakPolarHBondContact CA-O 2.91Å; L1385-T1423 PolarHBondContact N-O 3.18Å; V1421-T1423 PolarHBondContact O-N 2.97Å
1424H90.9Very high81.6Confident91 Ų9158.6 Ų58.642%0.42133%0.328SS..EExtended strand (participates in β ladder)trans-142.1158.6-176.3-67.876.2000111L1383 K1384L1383-H1424 CarbonylContact O-C 3.24Å; L1383-H1424 WeakPolarHBondContact O-CA 2.88Å; K1384-H1424 VanDerWaalsContact CA-CD2 3.48Å; K1384-H1424 WeakPolarHBondContact CA-CD2 3.49Å; K1384-H1424 PolarHBondContact N-CD2 2.93Å
1425L91.4Very high79.3Confident10 Ų1066.2 Ų66.25%0.05236%0.361CS..EExtended strand (participates in β ladder)trans-143.5138.5175-175.666.4000110.5L1315 P1316 A1317 F1325 L1383 L1385L1315-L1425 HydrophobicContact CD1-CD1 4.29Å; P1316-L1425 WeakPolarHBondContact O-CD1 2.97Å; A1317-L1425 WeakPolarHBondContact O-CD1 3.35Å; F1325-L1425 HydrophobicContact CE1-CD2 3.99Å; F1325-L1425 HydrophobicContact CE2-CD2 3.66Å; F1325-L1425 HydrophobicContact CZ-CD2 3.26Å; L1383-L1425 PolarHBondContact N-O 3.21Å; L1383-L1425 PolarHBondContact O-N 3.22Å; L1385-L1425 HydrophobicContact CD1-CB 4.14Å; L1385-L1425 HydrophobicContact CD2-CB 3.88Å; L1385-L1425 HydrophobicContact CD2-CD2 4.32Å; L1385-L1425 HydrophobicContact CG-CB 4Å
1426I93Very high76.9Confident102 Ų10270.3 Ų70.352%0.52338%0.38SS..EExtended strand (participates in β ladder)trans-76.4127.8171.4-62.5175.3000109Y1318 G1319Y1318-I1426 CarbonylContact C-O 3.51Å; Y1318-I1426 VanDerWaalsContact CA-O 3.29Å; Y1318-I1426 WeakPolarHBondContact CA-O 3.46Å; Y1318-I1426 WeakPolarHBondContact CB-O 3.46Å; G1319-I1426 PolarHBondContact N-O 3.48Å
1427V92.8Very high74.3Confident3 Ų375 Ų752%0.01842%0.415CS..EExtended strand (participates in β ladder)trans-115.5121.3172.9-177.90000110.2G1319 M1321 F1351 P1377 V1379 S1380 G1381 L1383G1319-V1427 CarbonylContact O-C 3.47Å; G1319-V1427 VanDerWaalsContact O-CA 3.32Å; G1319-V1427 WeakPolarHBondContact O-CA 3.44Å; M1321-V1427 HydrophobicContact CB-CG1 4.14Å; F1351-V1427 HydrophobicContact CE1-CG2 4.26Å; F1351-V1427 HydrophobicContact CZ-CG2 4.11Å; P1377-V1427 HydrophobicContact CB-CB 4.42Å; P1377-V1427 HydrophobicContact CB-CG1 3.76Å; P1377-V1427 HydrophobicContact CB-CG2 3.86Å; P1377-V1427 HydrophobicContact CG-CG1 3.88Å; P1377-V1427 HydrophobicContact CG-CG2 4.39Å; V1379-V1427 WeakPolarHBondContact O-CG1 3.14Å; S1380-V1427 CarbonylContact C-O 3.55Å; S1380-V1427 WeakPolarHBondContact CA-O 2.77Å; S1380-V1427 WeakPolarHBondContact CB-O 3.02Å; G1381-V1427 PolarHBondContact N-O 3.02Å; G1381-V1427 PolarHBondContact O-N 3.11Å; L1383-V1427 HydrophobicContact CD1-CB 4.24Å; L1383-V1427 HydrophobicContact CD1-CG2 3.75Å; L1383-V1427 HydrophobicContact CG-CG2 4.13Å
1428I92.7Very high71.7Confident79 Ų7979.5 Ų79.541%0.40545%0.447SS..EExtended strand (participates in β ladder)trans-86.8140.3178.5-53.9-179.4000108.8Y1318 G1319 V1320 M1321Y1318-I1428 HydrophobicContact CD2-CD1 3.62Å; Y1318-I1428 HydrophobicContact CD2-CG1 4.14Å; Y1318-I1428 HydrophobicContact CE2-CD1 3.88Å; Y1318-I1428 HydrophobicContact CG-CD1 4.09Å; G1319-I1428 PolarHBondContact O-N 3.23Å; V1320-I1428 CarbonylContact C-O 3.54Å; V1320-I1428 WeakPolarHBondContact CA-O 3.47Å; M1321-I1428 PolarHBondContact N-O 3.39Å
1429P88.9Confident69.1Low74 Ų7488 Ų8848%0.48149%0.486SS..PPolyproline II helixtrans-61146.2173.826.4-35.2000111.8
1430S78.1Confident66.7Low37 Ų3794.2 Ų94.226%0.25952%0.515SS..PPolyproline II helixtrans-69.5140.1172.8166.70000111M1321 D1432M1321-S1430 WeakPolarHBondContact O-CB 3.07Å; S1430-D1432 VanDerWaalsContact C-N 3.34Å; S1430-D1432 PolarHBondContact OG-N 2.68Å; S1430-D1432 PolarHBondContact OG-OD2 2.74Å
1431T68.2Low64.5Low86 Ų8699 Ų9953%0.52854%0.542SS..SBendtrans-79.3-12.6177.543.90000114.1G1433 L1434T1431-G1433 PolarHBondContact O-N 3.07Å; T1431-L1434 PolarHBondContact O-N 3.15Å
1432D54.4Low61.8Low135 Ų135103.6 Ų103.672%0.72258%0.575SS**THydrogen-bonded Turntrans-77.37.4-160.3-57.2-26.1000114.6S1430S1430-D1432 VanDerWaalsContact C-N 3.34Å; S1430-D1432 PolarHBondContact OG-N 2.68Å; S1430-D1432 PolarHBondContact OG-OD2 2.74Å
1433G47.9Very low59.3Low62 Ų62108.5 Ų108.564%0.63960%0.598SS**THydrogen-bonded Turntrans-104.8-9.2168.200000115T1431T1431-G1433 PolarHBondContact O-N 3.07Å
1434L44.9Very low56.7Low146 Ų146114.6 Ų114.676%0.76462%0.619SS**THydrogen-bonded Turntrans-89.4-1.6-174.2-80.6165.1000114.6T1431T1431-L1434 PolarHBondContact O-N 3.15Å
1435F41.5Very low53.9Low185 Ų185116 Ų11681%0.81163%0.629SS**THydrogen-bonded Turntrans-112.820.4-179.7-68.9-71.5000114.3S1437F1435-S1437 PolarHBondContact O-N 3.12Å
1436E36.2Very low51.1Low175 Ų175126.9 Ų126.982%0.81867%0.67SS**SBendtrans-63128.6160.1-77.3-155.9143.900109.9S1438E1436-S1438 PolarHBondContact O-N 3.13Å
1437S33Very low48.3Very low122 Ų122128.7 Ų128.785%0.85368%0.676SS**  trans-71.487.3-160.956.70000113.6F1435F1435-S1437 PolarHBondContact O-N 3.12Å
1438S33.8Very low45.6Very low102 Ų102136.6 Ų136.671%0.71371%0.712SS**  trans-99.787.7170.851.40000110.8E1436 K1440E1436-S1438 PolarHBondContact O-N 3.13Å; S1438-K1440 PolarHBondContact O-N 3.4Å
1439E33.6Very low42.9Very low196 Ų196140.2 Ų140.292%0.91673%0.731SS**THydrogen-bonded Turntrans-69.732.4-166.7-154.5178.5-137.700115.8
1440K35.3Very low40.1Very low190 Ų190145.5 Ų145.583%0.82675%0.747SS**THydrogen-bonded Turntrans-137.7-12.3-166.6-71.5-165.2173.2-177.50119.1S1438S1438-K1440 PolarHBondContact O-N 3.4Å
1441N33.1Very low37.9Very low152 Ų152150.9 Ų150.981%0.81377%0.773SS**  trans-11067.5-178.6-75.1-7.5000112.6I1443N1441-I1443 VanDerWaalsContact C-N 3.28Å; N1441-I1443 PolarHBondContact O-N 3.35Å
1442S31.6Very low36.1Very low118 Ų118156.2 Ų156.283%0.82580%0.804SS**  trans-84.811.2178.451.20000114.9
1443I36.4Very low35.2Very low142 Ų142157.3 Ų157.373%0.72881%0.808SS**  trans-138.775.7-177-45.3177.7000110.5N1441N1441-I1443 VanDerWaalsContact C-N 3.28Å; N1441-I1443 PolarHBondContact O-N 3.35Å
1444F32.1Very low34.6Very low200 Ų200162.3 Ų162.388%0.87782%0.817SS**SBendtrans-144.6149154.6-108-79.1000110.3
1445N33.8Very low34Very low120 Ų120163.2 Ų163.264%0.64282%0.82SS**  trans-67142.4-152.8-69.1-5.2000115.1E1447N1445-E1447 PolarHBondContact O-N 2.89Å
1446R32.5Very low33.5Very low238 Ų238161.9 Ų161.990%0.89882%0.821SS**SBendtrans-87.614.5177.1-148.2-179.7-170.1-171.72.8113.2
1447E34.3Very low33.4Very low140 Ų140161.1 Ų161.165%0.65482%0.821SS**  trans-99.9-31.6-163.6-65.2-175.7130.500114N1445 I1449 K1450N1445-E1447 PolarHBondContact O-N 2.89Å; E1447-I1449 VanDerWaalsContact C-N 3.26Å; E1447-I1449 PolarHBondContact O-N 2.58Å; E1447-K1450 PolarHBondContact O-N 3.19Å
1448E34.6Very low33.4Very low169 Ų169163.7 Ų163.779%0.7982%0.819SS**G310 helixtrans-69.9-19.5-176-66.2-172.5135.500113.8K1450E1448-K1450 PolarHBondContact O-N 3.36Å
1449I35.9Very low33.4Very low155 Ų155168.1 Ų168.180%0.79583%0.826SS**G310 helixtrans-76.3-1.9179.4-56.4178000112.1E1447E1447-I1449 VanDerWaalsContact C-N 3.26Å; E1447-I1449 PolarHBondContact O-N 2.58Å
1450K31.9Very low33.4Very low186 Ų186165.9 Ų165.981%0.80982%0.819SS**G310 helixtrans-95.2-5.4176-89.4-166169.4-167.80115.6E1447 E1448E1447-K1450 PolarHBondContact O-N 3.19Å; E1448-K1450 PolarHBondContact O-N 3.36Å
1451N30.2Very low33.2Very low150 Ų150163.9 Ų163.980%0.80282%0.819SS**  trans-117.131.6-173-69.3-6000113.2
1452V32Very low33.2Very low197 Ų197165 Ų165100%1.19482%0.819SS**  trans-135.30176.5-174.50000109.4

Retrieved 1,452 of 1,452 residues in 2118 ms (Link to these results)

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