G4V7P9_SCHMA Loading...

U2 small nuclear ribonucleoprotein A'

AlphaFold DB , UniProt , Accession G4V7P9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 335 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
1M71.3Confident91.9Very high192 Ų19287.3 Ų87.395%0.94644%0.437SS*.  0114.90-175.2174.1-169.600106.4P32M1-P32 HydrophobicContact CE-CB 3.25Å; M1-P32 HydrophobicContact CE-CG 3.16Å; M1-P32 HydrophobicContact CG-CB 4.45Å; M1-P32 HydrophobicContact CG-CG 3.74Å; M1-P32 HydrophobicContact SD-CG 4.17Å
2V88.3Confident92.3Very high65 Ų6580.4 Ų80.439%0.39440%0.404SS..  trans-78.1131.6-176.3-173.70000108.3I8 Y29 F31 P32V2-I8 HydrophobicContact CG1-CD1 3.95Å; V2-Y29 WeakPolarHBondContact CB-O 3.36Å; V2-F31 HydrophobicContact CG1-CD1 4.16Å; V2-F31 HydrophobicContact CG1-CE1 3.8Å; V2-P32 WeakPolarHBondContact O-CD 3.15Å
3R92.4Very high92.7Very high154 Ų15479.7 Ų79.758%0.58141%0.409SS*.  trans-110.8155177.1-67-166.7-168.8179.93.9109.4T5 I8 F31 E35R3-T5 PolarHBondContact O-N 3.42Å; R3-I8 VanDerWaalsContact O-CD1 3.26Å; R3-I8 WeakPolarHBondContact O-CD1 3.44Å; R3-F31 WeakPolarHBondContact O-CE1 3.46Å; R3-E35 WeakPolarHBondContact CB-OE1 3.39Å; R3-E35 VanDerWaalsContact CD-OE1 3.27Å; R3-E35 WeakPolarHBondContact CD-OE1 3.33Å; R3-E35 WeakPolarHBondContact CG-OE1 3.46Å
4I93.7Very high93Very high0 Ų079.5 Ų79.50%041%0.405CS..  trans-72.2112.2172.2-56.1179.3000107.2V9 F31 E35 N36 M37 L49I4-V9 HydrophobicContact CG2-CG2 3.92Å; I4-F31 HydrophobicContact CB-CE1 4.32Å; I4-F31 HydrophobicContact CD1-CD2 4.23Å; I4-F31 HydrophobicContact CD1-CE2 4.49Å; I4-F31 HydrophobicContact CD1-CG 4.3Å; I4-F31 HydrophobicContact CG1-CB 4.41Å; I4-F31 HydrophobicContact CG1-CD1 3.59Å; I4-F31 HydrophobicContact CG1-CD2 3.88Å; I4-F31 HydrophobicContact CG1-CE1 3.67Å; I4-F31 HydrophobicContact CG1-CE2 3.95Å; I4-F31 HydrophobicContact CG1-CG 3.71Å; I4-F31 HydrophobicContact CG1-CZ 3.84Å; I4-E35 HydrophobicContact CB-CG 4.38Å; I4-E35 WeakPolarHBondContact CB-O 3.42Å; I4-N36 WeakPolarHBondContact O-CB 3.34Å; I4-N36 PolarHBondContact O-ND2 3.33Å; I4-M37 HydrophobicContact CD1-SD 3.82Å; I4-M37 HydrophobicContact CG2-SD 4.2Å; I4-L49 HydrophobicContact CD1-CD2 4.47Å
5T94.3Very high93.4Very high51 Ų5180.1 Ų80.131%0.31340%0.404SS..  trans-113.8159.3176.761.70000110R3 E7 I8 V9R3-T5 PolarHBondContact O-N 3.42Å; T5-E7 VanDerWaalsContact C-N 3.25Å; T5-E7 PolarHBondContact O-N 3.01Å; T5-I8 PolarHBondContact O-N 3.01Å; T5-I8 WeakPolarHBondContact OG1-CG1 3.32Å; T5-I8 PolarHBondContact OG1-N 3.37Å; T5-V9 PolarHBondContact O-N 2.8Å; T5-V9 VanDerWaalsContact O-N 3.14Å
6S93.3Very high93.7Very high59 Ų5981.4 Ų81.441%0.41342%0.418SS..Hα-helixtrans-56.3-42.7174.549.10000111.5I8 V9 E10S6-I8 VanDerWaalsContact C-N 3.31Å; S6-I8 PolarHBondContact O-N 3.44Å; S6-V9 PolarHBondContact O-N 3.07Å; S6-V9 VanDerWaalsContact O-N 3.12Å; S6-E10 WeakPolarHBondContact O-CB 3.41Å; S6-E10 WeakPolarHBondContact O-CG 3.47Å; S6-E10 PolarHBondContact O-N 3.41Å
7E95.3Very high93.9Very high133 Ų13378.1 Ų78.162%0.62140%0.401SS*.Hα-helixtrans-57.4-40.6177.2-64.1172.5-173.600112.5T5 N11T5-E7 VanDerWaalsContact C-N 3.25Å; T5-E7 PolarHBondContact O-N 3.01Å; E7-N11 WeakPolarHBondContact O-CB 3.39Å; E7-N11 PolarHBondContact O-N 3.26Å; E7-N11 VanDerWaalsContact O-N 3.14Å; E7-N11 PolarHBondContact O-ND2 3.39Å
8I96Very high94.1Very high32 Ų3279.7 Ų79.716%0.16443%0.428CS..Hα-helixtrans-69.5-41.4177.7-66.6165.8000110.5V2 R3 T5 S6 N11 A12 L26 Y29 F31V2-I8 HydrophobicContact CG1-CD1 3.95Å; R3-I8 VanDerWaalsContact O-CD1 3.26Å; R3-I8 WeakPolarHBondContact O-CD1 3.44Å; T5-I8 PolarHBondContact O-N 3.01Å; T5-I8 WeakPolarHBondContact OG1-CG1 3.32Å; T5-I8 PolarHBondContact OG1-N 3.37Å; S6-I8 VanDerWaalsContact C-N 3.31Å; S6-I8 PolarHBondContact O-N 3.44Å; I8-N11 PolarHBondContact O-N 3.19Å; I8-A12 VanDerWaalsContact O-CB 3.24Å; I8-A12 WeakPolarHBondContact O-CB 3.33Å; I8-A12 PolarHBondContact O-N 3.42Å; I8-L26 HydrophobicContact CG2-CD2 4.28Å; I8-Y29 HydrophobicContact CG2-CD1 4Å; I8-Y29 HydrophobicContact CG2-CE1 3.69Å; I8-Y29 HydrophobicContact CG2-CE2 4.31Å; I8-Y29 HydrophobicContact CG2-CG 4.43Å; I8-F31 HydrophobicContact CD1-CE1 4.1Å; I8-F31 HydrophobicContact CD1-CZ 4.34Å; I8-F31 HydrophobicContact CG2-CZ 3.93Å
9V95.6Very high94.2Very high5 Ų581.7 Ų81.73%0.0344%0.437CS..Hα-helixtrans-66-39.8179.5170.80000111.7I4 T5 S6 L24 L26 C39 T40I4-V9 HydrophobicContact CG2-CG2 3.92Å; T5-V9 PolarHBondContact O-N 2.8Å; T5-V9 VanDerWaalsContact O-N 3.14Å; S6-V9 PolarHBondContact O-N 3.07Å; S6-V9 VanDerWaalsContact O-N 3.12Å; V9-L24 HydrophobicContact CG1-CD2 4.03Å; V9-L26 HydrophobicContact CG2-CD1 4.48Å; V9-L26 HydrophobicContact CG2-CD2 4.28Å; V9-C39 VanDerWaalsContact CG2-SG 3.51Å; V9-T40 HydrophobicContact CG1-CG2 4.07Å
10E94.3Very high94.3Very high135 Ų13586.9 Ų86.963%0.63146%0.455SS*.Hα-helixtrans-64.8-39.8176.6-74.6171.1-165.800112.1S6S6-E10 WeakPolarHBondContact O-CB 3.41Å; S6-E10 WeakPolarHBondContact O-CG 3.47Å; S6-E10 PolarHBondContact O-N 3.41Å
11N96.2Very high94.5Very high134 Ų13483.8 Ų83.872%0.71744%0.44SS*.Hα-helixtrans-87.8-10.6-178.7-68.8-54.2000114.3E7 I8E7-N11 WeakPolarHBondContact O-CB 3.39Å; E7-N11 PolarHBondContact O-N 3.26Å; E7-N11 VanDerWaalsContact O-N 3.14Å; E7-N11 PolarHBondContact O-ND2 3.39Å; I8-N11 PolarHBondContact O-N 3.19Å
12A97.1Very high95.8Very high5 Ų578.8 Ų78.84%0.04141%0.41CS..SBendtrans-68151.2179.900000111.6I8 Q14 L24 S25 L26I8-A12 VanDerWaalsContact O-CB 3.24Å; I8-A12 WeakPolarHBondContact O-CB 3.33Å; I8-A12 PolarHBondContact O-N 3.42Å; A12-Q14 PolarHBondContact O-N 3.48Å; A12-L24 HydrophobicContact CB-CD1 3.87Å; A12-S25 VanDerWaalsContact CB-O 3.3Å; A12-S25 WeakPolarHBondContact CB-O 3.36Å; A12-L26 HydrophobicContact CB-CD2 3.76Å
13P97.4Very high96.2Very high71 Ų7176.4 Ų76.446%0.46140%0.395SS..  trans-59.1125.6174.8-22.432.7000111.8F15 S25P13-F15 HydrophobicContact CB-CD1 4.39Å; P13-F15 HydrophobicContact CB-CE1 4.42Å; P13-S25 PolarHBondContact O-N 3.25Å
14Q97.2Very high96.5Very high77 Ų7769.1 Ų69.136%0.3637%0.367SS..EExtended strand (participates in β ladder)trans-124.9123.6176.9-64.4173.854.200108.8A12 E23 L24 F44A12-Q14 PolarHBondContact O-N 3.48Å; Q14-E23 WeakPolarHBondContact CA-O 3.38Å; Q14-L24 HydrophobicContact CG-CD1 3.65Å; Q14-F44 HydrophobicContact CB-CE1 4.28Å; Q14-F44 HydrophobicContact CG-CE1 3.8Å; Q14-F44 HydrophobicContact CG-CZ 3.99Å; Q14-F44 VanDerWaalsContact OE1-CZ 3.3Å
15F98.1Very high96.7Very high89 Ų8970 Ų7039%0.3937%0.373SS..EExtended strand (participates in β ladder)trans-153.7169.3-175.555.7-88.1000111.7P13 N17 E23P13-F15 HydrophobicContact CB-CD1 4.39Å; P13-F15 HydrophobicContact CB-CE1 4.42Å; F15-N17 HydrophobicContact CD2-CB 4.44Å; F15-N17 HydrophobicContact CE2-CB 4.08Å; F15-E23 HydrophobicContact CD2-CB 4.5Å; F15-E23 HydrophobicContact CE2-CB 4.12Å; F15-E23 HydrophobicContact CE2-CG 4.37Å; F15-E23 HydrophobicContact CZ-CB 4.29Å; F15-E23 HydrophobicContact CZ-CG 4.14Å; F15-E23 WeakPolarHBondContact CZ-OE1 3.32Å; F15-E23 PolarHBondContact N-O 3.41Å; F15-E23 VanDerWaalsContact N-O 3.12Å; F15-E23 PolarHBondContact O-N 3.49Å
16T97.9Very high96.9Very high101 Ų10167.6 Ų67.662%0.6236%0.359SS*.EExtended strand (participates in β ladder)trans-88.6120.3168.3-58.30000108.5K20 D21T16-K20 HydrophobicContact CG2-CB 4.46Å; T16-D21 WeakPolarHBondContact CA-O 3.47Å
17N97.5Very high97.1Very high24 Ų2470.5 Ų70.513%0.12836%0.36CS..  trans-79.6179.5-177.172.214.8000112.7F15 I19 K20 D21 E23F15-N17 HydrophobicContact CD2-CB 4.44Å; F15-N17 HydrophobicContact CE2-CB 4.08Å; N17-I19 PolarHBondContact O-N 3.04Å; N17-I19 VanDerWaalsContact O-N 3.14Å; N17-I19 WeakPolarHBondContact OD1-CG1 3.25Å; N17-I19 PolarHBondContact OD1-N 3.29Å; N17-I19 VanDerWaalsContact OD1-N 3.11Å; N17-K20 PolarHBondContact O-N 3.12Å; N17-K20 PolarHBondContact OD1-N 3.47Å; N17-D21 PolarHBondContact N-O 3.5Å; N17-D21 WeakPolarHBondContact OD1-CB 3.47Å; N17-D21 PolarHBondContact OD1-N 3.31Å; N17-D21 PolarHBondContact OD1-O 3.45Å; N17-E23 HydrophobicContact CB-CB 4.11Å; N17-E23 WeakPolarHBondContact CB-OE2 3.48Å; N17-E23 PolarHBondContact ND2-OE2 3.02Å
18A97.4Very high97.2Very high108 Ų10867.9 Ų67.989%0.89336%0.357SS*.THydrogen-bonded Turntrans-62.3-21.4-176.100000114.6
19I95.7Very high97.2Very high118 Ų11870 Ų7061%0.60536%0.363SS*.THydrogen-bonded Turntrans-96.510.8175.863169000112.9N17 D21N17-I19 PolarHBondContact O-N 3.04Å; N17-I19 VanDerWaalsContact O-N 3.14Å; N17-I19 WeakPolarHBondContact OD1-CG1 3.25Å; N17-I19 PolarHBondContact OD1-N 3.29Å; N17-I19 VanDerWaalsContact OD1-N 3.11Å; I19-D21 VanDerWaalsContact C-N 3.31Å; I19-D21 HydrophobicContact CD1-CB 4.41Å; I19-D21 HydrophobicContact CG1-CB 4.14Å
20K97.1Very high97.3Very high184 Ų18476.4 Ų76.480%0.839%0.391SS*.SBendtrans68.721.6179.8-51179.3179-179.30115T16 N17T16-K20 HydrophobicContact CG2-CB 4.46Å; N17-K20 PolarHBondContact O-N 3.12Å; N17-K20 PolarHBondContact OD1-N 3.47Å
21D97.6Very high97.4Very high23 Ų2370 Ų7012%0.12336%0.361CS..  trans-89.9146.5173-89.1-10.2000110.3T16 N17 I19 E23 D45 K67T16-D21 WeakPolarHBondContact CA-O 3.47Å; N17-D21 PolarHBondContact N-O 3.5Å; N17-D21 WeakPolarHBondContact OD1-CB 3.47Å; N17-D21 PolarHBondContact OD1-N 3.31Å; N17-D21 PolarHBondContact OD1-O 3.45Å; I19-D21 VanDerWaalsContact C-N 3.31Å; I19-D21 HydrophobicContact CD1-CB 4.41Å; I19-D21 HydrophobicContact CG1-CB 4.14Å; D21-E23 PolarHBondContact O-N 3.05Å; D21-D45 HydrophobicContact CB-CB 3.63Å; D21-D45 VanDerWaalsContact CG-CB 3.43Å; D21-K67 IonicContact OD1-NZ 2.71Å
22R98.3Very high97.4Very high86 Ų8664.5 Ų64.533%0.32533%0.333SS..EExtended strand (participates in β ladder)trans-77.3117.3172.2-169.7177.1173.2-168.2-6.2108.8Q43 F44 D45 T46R22-Q43 WeakPolarHBondContact CD-O 3.42Å; R22-Q43 VanDerWaalsContact NH2-OE1 3.16Å; R22-F44 HydrophobicContact CG-CD1 3.91Å; R22-F44 HydrophobicContact CG-CE1 4.32Å; R22-D45 PolarHBondContact N-OD2 3.23Å; R22-D45 PolarHBondContact O-N 3.45Å; R22-T46 PolarHBondContact O-N 3.02Å; R22-T46 VanDerWaalsContact O-N 3.1Å
23E98.5Very high97.4Very high16 Ų1666.3 Ų66.38%0.07535%0.347CS..EExtended strand (participates in β ladder)trans-111.8134.7-173.5-171.9168.6135.200111.6Q14 F15 N17 D21 T46Q14-E23 WeakPolarHBondContact CA-O 3.38Å; F15-E23 HydrophobicContact CD2-CB 4.5Å; F15-E23 HydrophobicContact CE2-CB 4.12Å; F15-E23 HydrophobicContact CE2-CG 4.37Å; F15-E23 HydrophobicContact CZ-CB 4.29Å; F15-E23 HydrophobicContact CZ-CG 4.14Å; F15-E23 WeakPolarHBondContact CZ-OE1 3.32Å; F15-E23 PolarHBondContact N-O 3.41Å; F15-E23 VanDerWaalsContact N-O 3.12Å; F15-E23 PolarHBondContact O-N 3.49Å; N17-E23 HydrophobicContact CB-CB 4.11Å; N17-E23 WeakPolarHBondContact CB-OE2 3.48Å; N17-E23 PolarHBondContact ND2-OE2 3.02Å; D21-E23 PolarHBondContact O-N 3.05Å; E23-T46 VanDerWaalsContact CA-O 3.3Å; E23-T46 WeakPolarHBondContact CA-O 3.46Å; E23-T46 HydrophobicContact CG-CG2 3.91Å
24L98.4Very high97.4Very high0 Ų063.4 Ų63.40%033%0.328CS..EExtended strand (participates in β ladder)trans-106.4120.8168.3176.767.4000109.1V9 A12 Q14 L26 T40 F44 T46 I47 D48V9-L24 HydrophobicContact CG1-CD2 4.03Å; A12-L24 HydrophobicContact CB-CD1 3.87Å; Q14-L24 HydrophobicContact CG-CD1 3.65Å; L24-L26 HydrophobicContact CD2-CD1 3.86Å; L24-L26 HydrophobicContact CD2-CD2 4.49Å; L24-L26 HydrophobicContact CD2-CG 4.05Å; L24-L26 HydrophobicContact CG-CD1 4.35Å; L24-L26 HydrophobicContact CG-CD2 4.47Å; L24-L26 HydrophobicContact CG-CG 4.01Å; L24-T40 HydrophobicContact CD2-CG2 3.84Å; L24-F44 HydrophobicContact CB-CB 4.44Å; L24-F44 HydrophobicContact CB-CD1 3.59Å; L24-F44 HydrophobicContact CB-CD2 4.02Å; L24-F44 HydrophobicContact CB-CE1 3.74Å; L24-F44 HydrophobicContact CB-CE2 4.15Å; L24-F44 HydrophobicContact CB-CG 3.74Å; L24-F44 HydrophobicContact CB-CZ 4.01Å; L24-F44 HydrophobicContact CD1-CE1 4.29Å; L24-F44 HydrophobicContact CD1-CE2 4.47Å; L24-F44 HydrophobicContact CD1-CZ 4.02Å; L24-F44 HydrophobicContact CD2-CD2 4.13Å; L24-F44 HydrophobicContact CD2-CE2 3.92Å; L24-F44 HydrophobicContact CD2-CZ 4.3Å; L24-F44 HydrophobicContact CG-CE1 4.48Å; L24-F44 HydrophobicContact CG-CE2 4.4Å; L24-F44 HydrophobicContact CG-CZ 4.33Å; L24-T46 PolarHBondContact N-O 3.27Å; L24-I47 HydrophobicContact CB-CG1 4.34Å; L24-D48 PolarHBondContact O-N 3.31Å
25S97.9Very high97.3Very high19 Ų1962.2 Ų62.213%0.13332%0.323CS..EExtended strand (participates in β ladder)trans-96.2113.3177-1760000111.2A12 P13A12-S25 VanDerWaalsContact CB-O 3.3Å; A12-S25 WeakPolarHBondContact CB-O 3.36Å; P13-S25 PolarHBondContact O-N 3.25Å
26L97.8Very high97.1Very high0 Ų062.6 Ų62.60%033%0.329CS..  trans-116.735.4176-69.4177000110.6I8 V9 A12 L24 F31 M37 I47 D48 L49 N52I8-L26 HydrophobicContact CG2-CD2 4.28Å; V9-L26 HydrophobicContact CG2-CD1 4.48Å; V9-L26 HydrophobicContact CG2-CD2 4.28Å; A12-L26 HydrophobicContact CB-CD2 3.76Å; L24-L26 HydrophobicContact CD2-CD1 3.86Å; L24-L26 HydrophobicContact CD2-CD2 4.49Å; L24-L26 HydrophobicContact CD2-CG 4.05Å; L24-L26 HydrophobicContact CG-CD1 4.35Å; L24-L26 HydrophobicContact CG-CD2 4.47Å; L24-L26 HydrophobicContact CG-CG 4.01Å; L26-F31 HydrophobicContact CB-CE2 4.11Å; L26-F31 HydrophobicContact CD2-CE2 4.46Å; L26-M37 HydrophobicContact CD1-CE 4.32Å; L26-I47 HydrophobicContact CD1-CG2 4.43Å; L26-D48 CarbonylContact C-O 3.1Å; L26-D48 WeakPolarHBondContact CA-O 3.3Å; L26-D48 WeakPolarHBondContact CB-O 3.38Å; L26-D48 PolarHBondContact N-O 3.1Å; L26-L49 HydrophobicContact CB-CD2 3.65Å; L26-L49 HydrophobicContact CB-CG 4.41Å; L26-L49 HydrophobicContact CD1-CD2 3.88Å; L26-L49 HydrophobicContact CG-CD2 4.44Å; L26-N52 PolarHBondContact O-ND2 3.21Å
27R97.7Very high97Very high120 Ų12057.9 Ų57.945%0.45330%0.299SS..THydrogen-bonded Turntrans-72.9147.1-177.2-63.7-172.8-179.6-179.64.8112.8Y29 D48 S50R27-Y29 VanDerWaalsContact C-N 3.29Å; R27-Y29 WeakPolarHBondContact O-CD2 3.39Å; R27-Y29 WeakPolarHBondContact O-CE2 3.1Å; R27-Y29 PolarHBondContact O-N 3.15Å; R27-Y29 VanDerWaalsContact O-N 3.17Å; R27-D48 HydrophobicContact CG-CB 4.49Å; R27-D48 IonicContact CZ-OD2 3.4Å; R27-D48 IonicContact NE-OD1 2.79Å; R27-D48 PolarHBondContact NE-OD1 3.15Å; R27-D48 IonicContact NE-OD2 3.53Å; R27-D48 PolarHBondContact NE-OD2 3.05Å; R27-D48 IonicContact NH2-OD2 3.4Å; R27-D48 PolarHBondContact NH2-OD2 3.01Å; R27-S50 VanDerWaalsContact CA-O 3.26Å; R27-S50 WeakPolarHBondContact CA-O 3.26Å
28S96.9Very high96.9Very high79 Ų7958.7 Ų58.755%0.55231%0.314SS*.THydrogen-bonded Turntrans61.921.8166-55.60000117.2K30 S50 D51S28-K30 VanDerWaalsContact C-N 3.32Å; S28-S50 PolarHBondContact N-O 2.99Å; S28-D51 WeakPolarHBondContact CA-O 3.48Å
29Y96.8Very high96.8Very high75 Ų7555.6 Ų55.629%0.29429%0.285SS..SBendtrans-86.1-3175.6-74.9-84.2000113.8V2 I8 R27 F31 N52V2-Y29 WeakPolarHBondContact CB-O 3.36Å; I8-Y29 HydrophobicContact CG2-CD1 4Å; I8-Y29 HydrophobicContact CG2-CE1 3.69Å; I8-Y29 HydrophobicContact CG2-CE2 4.31Å; I8-Y29 HydrophobicContact CG2-CG 4.43Å; R27-Y29 VanDerWaalsContact C-N 3.29Å; R27-Y29 WeakPolarHBondContact O-CD2 3.39Å; R27-Y29 WeakPolarHBondContact O-CE2 3.1Å; R27-Y29 PolarHBondContact O-N 3.15Å; R27-Y29 VanDerWaalsContact O-N 3.17Å; Y29-F31 VanDerWaalsContact C-N 3.27Å; Y29-F31 HydrophobicContact CD1-CZ 4.22Å; Y29-F31 AromaticContact CD2-CE2 3.82Å; Y29-F31 HydrophobicContact CD2-CE2 3.82Å; Y29-F31 HydrophobicContact CD2-CZ 4.02Å; Y29-F31 HydrophobicContact CG-CE1 4.33Å; Y29-F31 AromaticContact CG-CE2 3.75Å; Y29-F31 HydrophobicContact CG-CE2 3.75Å; Y29-F31 AromaticContact CG-CZ 3.6Å; Y29-F31 HydrophobicContact CG-CZ 3.6Å; Y29-F31 PolarHBondContact O-N 3.18Å; Y29-N52 PolarHBondContact N-OD1 3.34Å; Y29-N52 VanDerWaalsContact N-OD1 3.16Å
30K96.6Very high96.8Very high141 Ų14150.1 Ų50.161%0.61326%0.257SS*.  trans59.436.5-176.3-52.6180-180178.40112.5S28 P32 N52 E53S28-K30 VanDerWaalsContact C-N 3.32Å; K30-P32 WeakPolarHBondContact O-CD 3.46Å; K30-N52 PolarHBondContact N-OD1 3.38Å; K30-E53 HydrophobicContact CB-CG 4.47Å
31F97.3Very high96.7Very high0 Ų047.3 Ų47.30%025%0.25CS..  trans-62.6127.9176.9-63.7-52.1000110.5V2 R3 I4 I8 L26 Y29 L49 N52 E53 I54V2-F31 HydrophobicContact CG1-CD1 4.16Å; V2-F31 HydrophobicContact CG1-CE1 3.8Å; R3-F31 WeakPolarHBondContact O-CE1 3.46Å; I4-F31 HydrophobicContact CB-CE1 4.32Å; I4-F31 HydrophobicContact CD1-CD2 4.23Å; I4-F31 HydrophobicContact CD1-CE2 4.49Å; I4-F31 HydrophobicContact CD1-CG 4.3Å; I4-F31 HydrophobicContact CG1-CB 4.41Å; I4-F31 HydrophobicContact CG1-CD1 3.59Å; I4-F31 HydrophobicContact CG1-CD2 3.88Å; I4-F31 HydrophobicContact CG1-CE1 3.67Å; I4-F31 HydrophobicContact CG1-CE2 3.95Å; I4-F31 HydrophobicContact CG1-CG 3.71Å; I4-F31 HydrophobicContact CG1-CZ 3.84Å; I8-F31 HydrophobicContact CD1-CE1 4.1Å; I8-F31 HydrophobicContact CD1-CZ 4.34Å; I8-F31 HydrophobicContact CG2-CZ 3.93Å; L26-F31 HydrophobicContact CB-CE2 4.11Å; L26-F31 HydrophobicContact CD2-CE2 4.46Å; Y29-F31 VanDerWaalsContact C-N 3.27Å; Y29-F31 HydrophobicContact CD1-CZ 4.22Å; Y29-F31 AromaticContact CD2-CE2 3.82Å; Y29-F31 HydrophobicContact CD2-CE2 3.82Å; Y29-F31 HydrophobicContact CD2-CZ 4.02Å; Y29-F31 HydrophobicContact CG-CE1 4.33Å; Y29-F31 AromaticContact CG-CE2 3.75Å; Y29-F31 HydrophobicContact CG-CE2 3.75Å; Y29-F31 AromaticContact CG-CZ 3.6Å; Y29-F31 HydrophobicContact CG-CZ 3.6Å; Y29-F31 PolarHBondContact O-N 3.18Å; F31-L49 HydrophobicContact CD2-CD2 4.26Å; F31-N52 HydrophobicContact CB-CB 4.29Å; F31-N52 WeakPolarHBondContact CD2-OD1 3.45Å; F31-N52 PolarHBondContact N-OD1 3.05Å; F31-E53 CarbonylContact O-C 3.44Å; F31-E53 VanDerWaalsContact O-CA 3.25Å; F31-E53 WeakPolarHBondContact O-CA 2.83Å; F31-E53 PolarHBondContact O-N 3.24Å; F31-I54 HydrophobicContact CB-CG1 4.4Å; F31-I54 PolarHBondContact O-N 3.47Å; F31-I54 VanDerWaalsContact O-N 3.1Å
32P96.6Very high96.7Very high19 Ų1948.4 Ų48.412%0.12326%0.256CS..SBendtrans-84.1-21-179.933.4-36.4000113.1M1 V2 K30 I54 R55M1-P32 HydrophobicContact CE-CB 3.25Å; M1-P32 HydrophobicContact CE-CG 3.16Å; M1-P32 HydrophobicContact CG-CB 4.45Å; M1-P32 HydrophobicContact CG-CG 3.74Å; M1-P32 HydrophobicContact SD-CG 4.17Å; V2-P32 WeakPolarHBondContact O-CD 3.15Å; K30-P32 WeakPolarHBondContact O-CD 3.46Å; P32-I54 WeakPolarHBondContact O-CA 3.28Å; P32-R55 PolarHBondContact O-N 3.07Å
33A97.4Very high96.6Very high42 Ų4247.8 Ų47.835%0.34726%0.257SS..SBendtrans-153.9156.5-177.100000109.4
34I97.1Very high96.6Very high11 Ų1147.4 Ų47.46%0.05626%0.255CS..  trans-87.6125.8170-61.3167.2000106.8M37 L49 I54 L57 D58 F60 L71I34-M37 HydrophobicContact CG2-CG 3.46Å; I34-M37 VanDerWaalsContact CG2-CG 3.46Å; I34-M37 HydrophobicContact CG2-SD 4.15Å; I34-L49 HydrophobicContact CD1-CD1 4.06Å; I34-L49 HydrophobicContact CG1-CD1 4.16Å; I34-I54 HydrophobicContact CD1-CD1 4.18Å; I34-I54 HydrophobicContact CD1-CG2 4.02Å; I34-I54 HydrophobicContact CG1-CD1 3.71Å; I34-I54 HydrophobicContact CG1-CG1 4.19Å; I34-I54 HydrophobicContact CG1-CG2 3.89Å; I34-L57 HydrophobicContact CD1-CD1 4.09Å; I34-D58 VanDerWaalsContact CB-O 3.24Å; I34-D58 WeakPolarHBondContact CB-O 3.29Å; I34-D58 WeakPolarHBondContact CG2-O 3.48Å; I34-F60 HydrophobicContact CD1-CE2 3.7Å; I34-F60 HydrophobicContact CD1-CZ 3.66Å; I34-F60 HydrophobicContact CG2-CD1 4.32Å; I34-F60 HydrophobicContact CG2-CD2 4.43Å; I34-F60 HydrophobicContact CG2-CE1 4.03Å; I34-F60 HydrophobicContact CG2-CE2 4.14Å; I34-F60 HydrophobicContact CG2-CZ 3.94Å; I34-L71 HydrophobicContact CD1-CD2 4.24Å
35E95Very high96.6Very high52 Ų5247.6 Ų47.624%0.24326%0.256CS..  trans-155.4165.4179.660.8-173.9162.700109.3R3 I4 M37R3-E35 WeakPolarHBondContact CB-OE1 3.39Å; R3-E35 VanDerWaalsContact CD-OE1 3.27Å; R3-E35 WeakPolarHBondContact CD-OE1 3.33Å; R3-E35 WeakPolarHBondContact CG-OE1 3.46Å; I4-E35 HydrophobicContact CB-CG 4.38Å; I4-E35 WeakPolarHBondContact CB-O 3.42Å; E35-M37 PolarHBondContact O-N 3Å
36N94.4Very high96.6Very high97 Ų9746.8 Ų46.852%0.51925%0.25SS..  trans54.619.8174.8-56.3-36000115.6I4 G38 C39I4-N36 WeakPolarHBondContact O-CB 3.34Å; I4-N36 PolarHBondContact O-ND2 3.33Å; N36-G38 PolarHBondContact O-N 3.43Å; N36-C39 PolarHBondContact O-N 3.2Å; N36-C39 VanDerWaalsContact O-N 3.13Å; N36-C39 PolarHBondContact O-SG 3.37Å
37M95.9Very high96.7Very high1 Ų146.9 Ų46.91%0.00525%0.251CS..G310 helixtrans-63.9-6.6-178.8-63.1-59.1-68.200113.3I4 L26 I34 E35 C39 T40 I47 F60 P61I4-M37 HydrophobicContact CD1-SD 3.82Å; I4-M37 HydrophobicContact CG2-SD 4.2Å; L26-M37 HydrophobicContact CD1-CE 4.32Å; I34-M37 HydrophobicContact CG2-CG 3.46Å; I34-M37 VanDerWaalsContact CG2-CG 3.46Å; I34-M37 HydrophobicContact CG2-SD 4.15Å; E35-M37 PolarHBondContact O-N 3Å; M37-C39 PolarHBondContact O-N 3.38Å; M37-T40 HydrophobicContact CE-CG2 4Å; M37-T40 WeakPolarHBondContact O-CB 3.4Å; M37-T40 WeakPolarHBondContact O-CG2 3.42Å; M37-T40 PolarHBondContact O-N 2.84Å; M37-T40 PolarHBondContact O-OG1 3.41Å; M37-I47 HydrophobicContact CE-CD1 3.67Å; M37-I47 HydrophobicContact CE-CG2 4.09Å; M37-F60 HydrophobicContact CB-CD1 4.33Å; M37-F60 HydrophobicContact CE-CE1 4.24Å; M37-F60 HydrophobicContact CG-CD1 4.11Å; M37-F60 HydrophobicContact CG-CE1 4.25Å; M37-P61 VanDerWaalsContact CB-CD 3.5Å; M37-P61 HydrophobicContact CB-CG 4.25Å
38G95Very high96.7Very high42 Ų4241.2 Ų41.243%0.43323%0.229SC..G310 helixtrans-62.2-25.4171.300000113.7N36 T40 L41N36-G38 PolarHBondContact O-N 3.43Å; G38-T40 PolarHBondContact O-N 2.97Å; G38-L41 PolarHBondContact O-N 2.94Å; G38-L41 VanDerWaalsContact O-N 3.15Å
39C94.4Very high96.8Very high42 Ų4237.4 Ų37.428%0.28420%0.203SC..G310 helixtrans-66.8-13.6175.264.50000113.6V9 N36 M37 L41V9-C39 VanDerWaalsContact CG2-SG 3.51Å; N36-C39 PolarHBondContact O-N 3.2Å; N36-C39 VanDerWaalsContact O-N 3.13Å; N36-C39 PolarHBondContact O-SG 3.37Å; M37-C39 PolarHBondContact O-N 3.38Å; C39-L41 PolarHBondContact O-N 2.87Å
40T95.8Very high96.9Very high4 Ų434.1 Ų34.13%0.02519%0.191CC..G310 helixtrans-74-12.5174.266.60000113.7V9 L24 M37 G38 D42 Q43 F44V9-T40 HydrophobicContact CG1-CG2 4.07Å; L24-T40 HydrophobicContact CD2-CG2 3.84Å; M37-T40 HydrophobicContact CE-CG2 4Å; M37-T40 WeakPolarHBondContact O-CB 3.4Å; M37-T40 WeakPolarHBondContact O-CG2 3.42Å; M37-T40 PolarHBondContact O-N 2.84Å; M37-T40 PolarHBondContact O-OG1 3.41Å; G38-T40 PolarHBondContact O-N 2.97Å; T40-D42 PolarHBondContact O-N 3.17Å; T40-Q43 PolarHBondContact O-N 3.19Å; T40-F44 HydrophobicContact CG2-CD2 4.4Å; T40-F44 HydrophobicContact CG2-CE2 4.37Å
41L95.6Very high96.9Very high125 Ų12530.8 Ų30.865%0.65418%0.18SC*.THydrogen-bonded Turntrans52.928.5178.1-56.7176.8000114.1G38 C39 Q43G38-L41 PolarHBondContact O-N 2.94Å; G38-L41 VanDerWaalsContact O-N 3.15Å; C39-L41 PolarHBondContact O-N 2.87Å; L41-Q43 HydrophobicContact CB-CG 4.04Å; L41-Q43 WeakPolarHBondContact O-CG 3.4Å; L41-Q43 PolarHBondContact O-N 2.73Å
42D96.9Very high97Very high46 Ų4631.2 Ų31.225%0.24618%0.182CC..THydrogen-bonded Turntrans53.932.5-179.4-16230.3000114T40 L63 K64 R65T40-D42 PolarHBondContact O-N 3.17Å; D42-L63 HydrophobicContact CB-CD2 4.06Å; D42-L63 WeakPolarHBondContact OD1-CA 3.43Å; D42-L63 WeakPolarHBondContact OD1-CB 3.33Å; D42-K64 PolarHBondContact OD1-N 3.07Å; D42-K64 WeakPolarHBondContact OD2-CA 3.38Å; D42-K64 WeakPolarHBondContact OD2-CB 3.48Å; D42-K64 PolarHBondContact OD2-N 3.3Å; D42-R65 WeakPolarHBondContact O-CB 3.43Å; D42-R65 VanDerWaalsContact O-CD 3.3Å; D42-R65 WeakPolarHBondContact O-CD 3.48Å; D42-R65 WeakPolarHBondContact OD1-CB 3.11Å; D42-R65 PolarHBondContact OD1-N 2.95Å; D42-R65 PolarHBondContact OD2-N 2.98Å
43Q97.1Very high97.1Very high73 Ų7333.6 Ų33.634%0.34119%0.192SC..  trans-91.4-11.8-174.2-63.4-171.730.500114.8R22 T40 L41 R65R22-Q43 WeakPolarHBondContact CD-O 3.42Å; R22-Q43 VanDerWaalsContact NH2-OE1 3.16Å; T40-Q43 PolarHBondContact O-N 3.19Å; L41-Q43 HydrophobicContact CB-CG 4.04Å; L41-Q43 WeakPolarHBondContact O-CG 3.4Å; L41-Q43 PolarHBondContact O-N 2.73Å; Q43-R65 VanDerWaalsContact C-CD 3.43Å; Q43-R65 WeakPolarHBondContact O-CD 3.29Å; Q43-R65 PolarHBondContact O-NE 2.92Å; Q43-R65 VanDerWaalsContact O-NE 3.11Å
44F98.1Very high97.1Very high8 Ų831.6 Ų31.64%0.03518%0.175CC..  trans-106.2139.3-171.7-55.1-80.3000112Q14 R22 L24 T40 I47Q14-F44 HydrophobicContact CB-CE1 4.28Å; Q14-F44 HydrophobicContact CG-CE1 3.8Å; Q14-F44 HydrophobicContact CG-CZ 3.99Å; Q14-F44 VanDerWaalsContact OE1-CZ 3.3Å; R22-F44 HydrophobicContact CG-CD1 3.91Å; R22-F44 HydrophobicContact CG-CE1 4.32Å; L24-F44 HydrophobicContact CB-CB 4.44Å; L24-F44 HydrophobicContact CB-CD1 3.59Å; L24-F44 HydrophobicContact CB-CD2 4.02Å; L24-F44 HydrophobicContact CB-CE1 3.74Å; L24-F44 HydrophobicContact CB-CE2 4.15Å; L24-F44 HydrophobicContact CB-CG 3.74Å; L24-F44 HydrophobicContact CB-CZ 4.01Å; L24-F44 HydrophobicContact CD1-CE1 4.29Å; L24-F44 HydrophobicContact CD1-CE2 4.47Å; L24-F44 HydrophobicContact CD1-CZ 4.02Å; L24-F44 HydrophobicContact CD2-CD2 4.13Å; L24-F44 HydrophobicContact CD2-CE2 3.92Å; L24-F44 HydrophobicContact CD2-CZ 4.3Å; L24-F44 HydrophobicContact CG-CE1 4.48Å; L24-F44 HydrophobicContact CG-CE2 4.4Å; L24-F44 HydrophobicContact CG-CZ 4.33Å; T40-F44 HydrophobicContact CG2-CD2 4.4Å; T40-F44 HydrophobicContact CG2-CE2 4.37Å; F44-I47 HydrophobicContact CB-CG1 4.14Å
45D98.5Very high97.1Very high4 Ų438.8 Ų38.82%0.02120%0.201CC..SBendtrans-84.6-33.7171.7-59.7-81.7000110.9D21 R22 R65 K67 S68D21-D45 HydrophobicContact CB-CB 3.63Å; D21-D45 VanDerWaalsContact CG-CB 3.43Å; R22-D45 PolarHBondContact N-OD2 3.23Å; R22-D45 PolarHBondContact O-N 3.45Å; D45-R65 IonicContact OD1-CZ 3.84Å; D45-R65 IonicContact OD1-NE 2.7Å; D45-R65 PolarHBondContact OD1-NE 2.79Å; D45-R65 IonicContact OD1-NH2 3.35Å; D45-R65 PolarHBondContact OD1-NH2 2.67Å; D45-R65 IonicContact OD2-CZ 3.73Å; D45-R65 IonicContact OD2-NE 3.85Å; D45-R65 PolarHBondContact OD2-NE 3.41Å; D45-R65 IonicContact OD2-NH2 2.77Å; D45-R65 PolarHBondContact OD2-NH2 3.16Å; D45-K67 PolarHBondContact O-N 3.21Å; D45-K67 IonicContact OD1-NZ 3.27Å; D45-K67 PolarHBondContact OD1-NZ 2.9Å; D45-S68 PolarHBondContact O-N 3.04Å
46T98.6Very high97.3Very high2 Ų240.9 Ų40.91%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-125.6134.6178.6-57.90000110.6R22 E23 L24 S68 I70R22-T46 PolarHBondContact O-N 3.02Å; R22-T46 VanDerWaalsContact O-N 3.1Å; E23-T46 VanDerWaalsContact CA-O 3.3Å; E23-T46 WeakPolarHBondContact CA-O 3.46Å; E23-T46 HydrophobicContact CG-CG2 3.91Å; L24-T46 PolarHBondContact N-O 3.27Å; T46-S68 WeakPolarHBondContact CA-O 3.48Å; T46-S68 WeakPolarHBondContact OG1-CB 3.37Å; T46-I70 HydrophobicContact CG2-CD1 4.04Å; T46-I70 HydrophobicContact CG2-CG1 4.33Å
47I98.4Very high97.4Very high2 Ų236.3 Ų36.31%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-121.4126.9168.9-67.1171.6000108.1L24 L26 M37 F44 L49 L63 L66 S68 L69 I70L24-I47 HydrophobicContact CB-CG1 4.34Å; L26-I47 HydrophobicContact CD1-CG2 4.43Å; M37-I47 HydrophobicContact CE-CD1 3.67Å; M37-I47 HydrophobicContact CE-CG2 4.09Å; F44-I47 HydrophobicContact CB-CG1 4.14Å; I47-L49 HydrophobicContact CG2-CD1 4.07Å; I47-L49 HydrophobicContact CG2-CG 3.97Å; I47-L63 HydrophobicContact CD1-CD1 4.43Å; I47-L66 HydrophobicContact CB-CD1 4.01Å; I47-L66 HydrophobicContact CD1-CD1 3.62Å; I47-L66 HydrophobicContact CD1-CD2 4.13Å; I47-L66 HydrophobicContact CG1-CD1 3.52Å; I47-S68 PolarHBondContact N-O 3.43Å; I47-S68 VanDerWaalsContact N-O 3.09Å; I47-L69 HydrophobicContact CB-CD1 4.1Å; I47-L69 HydrophobicContact CG2-CD1 4.28Å; I47-I70 PolarHBondContact O-N 3.04Å
48D98.5Very high97.5Very high0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-107.7114.2177.2-164.7-29.4000111.1L24 L26 R27 S50 I70L24-D48 PolarHBondContact O-N 3.31Å; L26-D48 CarbonylContact C-O 3.1Å; L26-D48 WeakPolarHBondContact CA-O 3.3Å; L26-D48 WeakPolarHBondContact CB-O 3.38Å; L26-D48 PolarHBondContact N-O 3.1Å; R27-D48 HydrophobicContact CG-CB 4.49Å; R27-D48 IonicContact CZ-OD2 3.4Å; R27-D48 IonicContact NE-OD1 2.79Å; R27-D48 PolarHBondContact NE-OD1 3.15Å; R27-D48 IonicContact NE-OD2 3.53Å; R27-D48 PolarHBondContact NE-OD2 3.05Å; R27-D48 IonicContact NH2-OD2 3.4Å; R27-D48 PolarHBondContact NH2-OD2 3.01Å; D48-S50 WeakPolarHBondContact OD1-CB 3.38Å; D48-S50 PolarHBondContact OD1-N 3.38Å; D48-S50 PolarHBondContact OD1-OG 3.2Å; D48-I70 HydrophobicContact CB-CB 4.37Å; D48-I70 HydrophobicContact CB-CD1 4.5Å
49L98.5Very high97.5Very high0 Ų038 Ų380%019%0.192CC..  trans-114.124.4179.6-75.5161.4000111.2I4 L26 F31 I34 I47 N52 I54 L69 I70 L71 N74I4-L49 HydrophobicContact CD1-CD2 4.47Å; L26-L49 HydrophobicContact CB-CD2 3.65Å; L26-L49 HydrophobicContact CB-CG 4.41Å; L26-L49 HydrophobicContact CD1-CD2 3.88Å; L26-L49 HydrophobicContact CG-CD2 4.44Å; F31-L49 HydrophobicContact CD2-CD2 4.26Å; I34-L49 HydrophobicContact CD1-CD1 4.06Å; I34-L49 HydrophobicContact CG1-CD1 4.16Å; I47-L49 HydrophobicContact CG2-CD1 4.07Å; I47-L49 HydrophobicContact CG2-CG 3.97Å; L49-N52 PolarHBondContact O-ND2 2.99Å; L49-I54 HydrophobicContact CB-CD1 3.99Å; L49-I54 HydrophobicContact CD1-CD1 4.29Å; L49-I54 HydrophobicContact CD2-CD1 4.21Å; L49-I54 HydrophobicContact CG-CD1 4.4Å; L49-L69 HydrophobicContact CD1-CD1 4.17Å; L49-I70 PolarHBondContact N-O 3.32Å; L49-L71 HydrophobicContact CB-CD2 3.53Å; L49-L71 HydrophobicContact CB-CG 4.36Å; L49-L71 HydrophobicContact CD1-CD2 3.89Å; L49-L71 HydrophobicContact CG-CD2 4.37Å; L49-N74 PolarHBondContact O-ND2 3.02Å
50S98.5Very high97.6Very high6 Ų636.4 Ų36.44%0.04218%0.18CC..THydrogen-bonded Turntrans-61.3152.4-179-55.80000112.8R27 S28 D48 N52 I70 T72R27-S50 VanDerWaalsContact CA-O 3.26Å; R27-S50 WeakPolarHBondContact CA-O 3.26Å; S28-S50 PolarHBondContact N-O 2.99Å; D48-S50 WeakPolarHBondContact OD1-CB 3.38Å; D48-S50 PolarHBondContact OD1-N 3.38Å; D48-S50 PolarHBondContact OD1-OG 3.2Å; S50-N52 VanDerWaalsContact C-N 3.32Å; S50-N52 PolarHBondContact O-N 3.45Å; S50-N52 PolarHBondContact O-ND2 3.41Å; S50-I70 WeakPolarHBondContact OG-CG2 3.37Å; S50-T72 CarbonylContact C-O 2.99Å; S50-T72 VanDerWaalsContact CA-O 3.23Å; S50-T72 WeakPolarHBondContact CA-O 3.47Å
51D98.4Very high97.7Very high71 Ų7138.2 Ų38.238%0.3819%0.192SC..THydrogen-bonded Turntrans59.138.4176.2-53.5-58.1000113.8S28 T72 N73S28-D51 WeakPolarHBondContact CA-O 3.48Å; D51-T72 PolarHBondContact N-O 3.32Å; D51-N73 VanDerWaalsContact OD1-CB 3.26Å; D51-N73 WeakPolarHBondContact OD1-CB 3.43Å; D51-N73 PolarHBondContact OD1-ND2 2.95Å
52N98.3Very high97.7Very high8 Ų837.6 Ų37.64%0.04319%0.187CC..SBendtrans-108.4-172.6172-76.4-67.5000111.2L26 Y29 K30 F31 L49 S50 I54 N74L26-N52 PolarHBondContact O-ND2 3.21Å; Y29-N52 PolarHBondContact N-OD1 3.34Å; Y29-N52 VanDerWaalsContact N-OD1 3.16Å; K30-N52 PolarHBondContact N-OD1 3.38Å; F31-N52 HydrophobicContact CB-CB 4.29Å; F31-N52 WeakPolarHBondContact CD2-OD1 3.45Å; F31-N52 PolarHBondContact N-OD1 3.05Å; L49-N52 PolarHBondContact O-ND2 2.99Å; S50-N52 VanDerWaalsContact C-N 3.32Å; S50-N52 PolarHBondContact O-N 3.45Å; S50-N52 PolarHBondContact O-ND2 3.41Å; N52-I54 HydrophobicContact CB-CD1 4.08Å; N52-I54 HydrophobicContact CB-CG1 4.09Å; N52-N74 WeakPolarHBondContact CA-OD1 3.38Å; N52-N74 WeakPolarHBondContact CB-OD1 3.42Å; N52-N74 PolarHBondContact O-OD1 3.01Å
53E97.8Very high97.8Very high70 Ų7035.6 Ų35.633%0.32718%0.177SC..  trans-114.326.9-179.5-61.1-161.9-158.200112.6K30 F31 R55 K75K30-E53 HydrophobicContact CB-CG 4.47Å; F31-E53 CarbonylContact O-C 3.44Å; F31-E53 VanDerWaalsContact O-CA 3.25Å; F31-E53 WeakPolarHBondContact O-CA 2.83Å; F31-E53 PolarHBondContact O-N 3.24Å; E53-R55 PolarHBondContact O-N 3.28Å; E53-K75 HydrophobicContact CB-CD 4.27Å; E53-K75 IonicContact OE2-NZ 3.88Å; E53-K75 PolarHBondContact OE2-NZ 3.04Å
54I98.3Very high97.8Very high0 Ų037.8 Ų37.80%019%0.185CC..  trans-66.1126.9-172.8-61.7162.2000109.8F31 P32 I34 L49 N52 K56 L71 N74 K75 I76F31-I54 HydrophobicContact CB-CG1 4.4Å; F31-I54 PolarHBondContact O-N 3.47Å; F31-I54 VanDerWaalsContact O-N 3.1Å; P32-I54 WeakPolarHBondContact O-CA 3.28Å; I34-I54 HydrophobicContact CD1-CD1 4.18Å; I34-I54 HydrophobicContact CD1-CG2 4.02Å; I34-I54 HydrophobicContact CG1-CD1 3.71Å; I34-I54 HydrophobicContact CG1-CG1 4.19Å; I34-I54 HydrophobicContact CG1-CG2 3.89Å; L49-I54 HydrophobicContact CB-CD1 3.99Å; L49-I54 HydrophobicContact CD1-CD1 4.29Å; L49-I54 HydrophobicContact CD2-CD1 4.21Å; L49-I54 HydrophobicContact CG-CD1 4.4Å; N52-I54 HydrophobicContact CB-CD1 4.08Å; N52-I54 HydrophobicContact CB-CG1 4.09Å; I54-K56 VanDerWaalsContact CG2-O 3.31Å; I54-K56 WeakPolarHBondContact CG2-O 3.31Å; I54-L71 HydrophobicContact CD1-CD2 3.78Å; I54-N74 HydrophobicContact CB-CB 4.45Å; I54-N74 VanDerWaalsContact CB-OD1 3.3Å; I54-N74 WeakPolarHBondContact CB-OD1 3.5Å; I54-N74 WeakPolarHBondContact CG1-OD1 3.36Å; I54-N74 PolarHBondContact N-OD1 2.88Å; I54-N74 VanDerWaalsContact N-OD1 3.07Å; I54-K75 CarbonylContact O-C 3.21Å; I54-K75 WeakPolarHBondContact O-CA 3.47Å; I54-K75 PolarHBondContact O-N 2.87Å; I54-I76 HydrophobicContact CB-CG1 4.47Å; I54-I76 HydrophobicContact CG2-CG1 4.14Å; I54-I76 WeakPolarHBondContact O-CG1 3.29Å; I54-I76 PolarHBondContact O-N 3.44Å
55R97.6Very high97.8Very high162 Ų16242.7 Ų42.761%0.61120%0.203SC*.  trans-98.9-23.3-175.5-61.1-178.5-174.2-121.83.1115.2P32 E53 K75 I76 A77P32-R55 PolarHBondContact O-N 3.07Å; E53-R55 PolarHBondContact O-N 3.28Å; R55-K75 WeakPolarHBondContact CA-O 3.42Å; R55-K75 HydrophobicContact CG-CB 4.14Å; R55-I76 WeakPolarHBondContact O-CA 3.12Å; R55-A77 PolarHBondContact O-N 2.87Å
56K97.9Very high97.8Very high96 Ų9642.6 Ų42.642%0.41720%0.202SC..EExtended strand (participates in β ladder)trans-137.2134.7-178-169.8-171.8179.4-165.60108.9I54 D58 R78I54-K56 VanDerWaalsContact CG2-O 3.31Å; I54-K56 WeakPolarHBondContact CG2-O 3.31Å; K56-D58 HydrophobicContact CD-CB 3.79Å; K56-D58 VanDerWaalsContact CE-OD2 3.24Å; K56-D58 WeakPolarHBondContact CE-OD2 3.27Å; K56-D58 HydrophobicContact CG-CB 3.94Å; K56-D58 IonicContact NZ-OD2 3.44Å; K56-D58 PolarHBondContact NZ-OD2 3.3Å; K56-D58 PolarHBondContact O-N 3.44Å; K56-R78 WeakPolarHBondContact CA-O 3.37Å; K56-R78 HydrophobicContact CG-CB 4.22Å
57L98.1Very high97.8Very high0 Ų045.8 Ų45.80%022%0.216CC..EExtended strand (participates in β ladder)trans-83.392.2171.6-178.958.8000109.2I34 F60 L69 L71 I76 R78 I79 A80 L83 L93 L95I34-L57 HydrophobicContact CD1-CD1 4.09Å; L57-F60 HydrophobicContact CD1-CE2 3.78Å; L57-F60 HydrophobicContact CD1-CZ 4.46Å; L57-L69 HydrophobicContact CD1-CD2 3.83Å; L57-L71 HydrophobicContact CD1-CD1 3.42Å; L57-L71 VanDerWaalsContact CD1-CD1 3.42Å; L57-L71 HydrophobicContact CD2-CD1 4.45Å; L57-I76 HydrophobicContact CB-CG2 4.13Å; L57-R78 PolarHBondContact N-O 2.96Å; L57-I79 HydrophobicContact CB-CG1 4.32Å; L57-I79 HydrophobicContact CB-CG2 4.38Å; L57-I79 HydrophobicContact CD2-CG1 4.42Å; L57-I79 HydrophobicContact CD2-CG2 4.14Å; L57-I79 HydrophobicContact CG-CG2 4.43Å; L57-A80 WeakPolarHBondContact O-CB 3.31Å; L57-A80 PolarHBondContact O-N 2.71Å; L57-L83 HydrophobicContact CD2-CD2 3.73Å; L57-L83 HydrophobicContact CG-CD1 4.14Å; L57-L83 HydrophobicContact CG-CD2 4.14Å; L57-L93 HydrophobicContact CD2-CD1 4.11Å; L57-L93 HydrophobicContact CD2-CD2 4.02Å; L57-L95 HydrophobicContact CD2-CD2 4.4Å
58D96.7Very high97.8Very high47 Ų4746.2 Ų46.225%0.25122%0.22SC..  trans-160.1-174.4-172.2-164.5-0.1000109.7I34 K56 F60 A80I34-D58 VanDerWaalsContact CB-O 3.24Å; I34-D58 WeakPolarHBondContact CB-O 3.29Å; I34-D58 WeakPolarHBondContact CG2-O 3.48Å; K56-D58 HydrophobicContact CD-CB 3.79Å; K56-D58 VanDerWaalsContact CE-OD2 3.24Å; K56-D58 WeakPolarHBondContact CE-OD2 3.27Å; K56-D58 HydrophobicContact CG-CB 3.94Å; K56-D58 IonicContact NZ-OD2 3.44Å; K56-D58 PolarHBondContact NZ-OD2 3.3Å; K56-D58 PolarHBondContact O-N 3.44Å; D58-F60 VanDerWaalsContact C-N 3.35Å; D58-F60 PolarHBondContact O-N 3.48Å; D58-A80 HydrophobicContact CB-CB 3.85Å; D58-A80 WeakPolarHBondContact OD1-CB 3.35Å
59G95.3Very high97.8Very high32 Ų3246.2 Ų46.233%0.3322%0.22SC..  trans80.812.3166.600000114.9
60F97.3Very high97.8Very high8 Ų847.7 Ų47.74%0.03523%0.227CC..  trans-83.2136.4174.3-68.1-80000110.8I34 M37 L57 D58 L63 L69 L83 H86 L87I34-F60 HydrophobicContact CD1-CE2 3.7Å; I34-F60 HydrophobicContact CD1-CZ 3.66Å; I34-F60 HydrophobicContact CG2-CD1 4.32Å; I34-F60 HydrophobicContact CG2-CD2 4.43Å; I34-F60 HydrophobicContact CG2-CE1 4.03Å; I34-F60 HydrophobicContact CG2-CE2 4.14Å; I34-F60 HydrophobicContact CG2-CZ 3.94Å; M37-F60 HydrophobicContact CB-CD1 4.33Å; M37-F60 HydrophobicContact CE-CE1 4.24Å; M37-F60 HydrophobicContact CG-CD1 4.11Å; M37-F60 HydrophobicContact CG-CE1 4.25Å; L57-F60 HydrophobicContact CD1-CE2 3.78Å; L57-F60 HydrophobicContact CD1-CZ 4.46Å; D58-F60 VanDerWaalsContact C-N 3.35Å; D58-F60 PolarHBondContact O-N 3.48Å; F60-L63 HydrophobicContact CD1-CD1 3.91Å; F60-L69 HydrophobicContact CE1-CD1 4.28Å; F60-L69 HydrophobicContact CE1-CD2 4.45Å; F60-L69 HydrophobicContact CE2-CD2 3.9Å; F60-L69 HydrophobicContact CZ-CD1 3.93Å; F60-L69 HydrophobicContact CZ-CD2 3.55Å; F60-L69 HydrophobicContact CZ-CG 4.41Å; F60-L83 HydrophobicContact CD2-CD1 4.16Å; F60-H86 HydrophobicContact CB-CB 4.06Å; F60-H86 PolarHBondContact O-CD2 3.25Å; F60-H86 VanDerWaalsContact O-CG 3.24Å; F60-L87 HydrophobicContact CB-CD2 3.99Å; F60-L87 HydrophobicContact CB-CG 4.38Å; F60-L87 HydrophobicContact CD1-CD2 4.13Å; F60-L87 HydrophobicContact CD2-CD1 4.05Å; F60-L87 HydrophobicContact CE2-CD1 4.25Å; F60-L87 HydrophobicContact CG-CD1 4.21Å; F60-L87 HydrophobicContact CG-CD2 4.01Å; F60-L87 HydrophobicContact CG-CG 4.34Å
61P96.5Very high97.8Very high43 Ų4347.4 Ų47.428%0.27923%0.225SC..  trans-71.5179.816037.3-39.1000109.4M37 L63M37-P61 VanDerWaalsContact CB-CD 3.5Å; M37-P61 HydrophobicContact CB-CG 4.25Å; P61-L63 HydrophobicContact CG-CD2 3.85Å; P61-L63 HydrophobicContact CG-CG 4.02Å; P61-L63 PolarHBondContact O-N 3.19Å
62M97.2Very high97.8Very high112 Ų11245.6 Ų45.655%0.55222%0.217SC*.  trans-64.8108.1170.3-168.1-175.5-161.600110.6K64 H86M62-K64 HydrophobicContact CE-CD 4.42Å; M62-K64 VanDerWaalsContact CE-CE 3.46Å; M62-K64 HydrophobicContact CE-CG 4.17Å; M62-K64 HydrophobicContact CG-CG 4.33Å; M62-K64 VanDerWaalsContact SD-CE 3.54Å; M62-K64 HydrophobicContact SD-CG 4.48Å; M62-H86 CarbonylContact C-O 3.37Å; M62-H86 WeakPolarHBondContact CA-O 3.31Å
63L97.7Very high97.8Very high4 Ų448.9 Ų48.92%0.02123%0.234CC..  trans-114.8100.1176.2-60.3177.6000109.1D42 I47 F60 P61 L66 H86 L87D42-L63 HydrophobicContact CB-CD2 4.06Å; D42-L63 WeakPolarHBondContact OD1-CA 3.43Å; D42-L63 WeakPolarHBondContact OD1-CB 3.33Å; I47-L63 HydrophobicContact CD1-CD1 4.43Å; F60-L63 HydrophobicContact CD1-CD1 3.91Å; P61-L63 HydrophobicContact CG-CD2 3.85Å; P61-L63 HydrophobicContact CG-CG 4.02Å; P61-L63 PolarHBondContact O-N 3.19Å; L63-L66 HydrophobicContact CB-CB 3.97Å; L63-L66 HydrophobicContact CD1-CD2 4.04Å; L63-H86 PolarHBondContact N-O 3.23Å; L63-L87 HydrophobicContact CB-CD2 3.88Å; L63-L87 HydrophobicContact CD1-CD2 4.12Å; L63-L87 HydrophobicContact CG-CD2 4.32Å
64K97.7Very high97.8Very high119 Ų11945.7 Ų45.752%0.51722%0.22SC..SBendtrans-80.1-27-176.7-61.4175.1-176.9172.20111.5D42 M62 N89D42-K64 PolarHBondContact OD1-N 3.07Å; D42-K64 WeakPolarHBondContact OD2-CA 3.38Å; D42-K64 WeakPolarHBondContact OD2-CB 3.48Å; D42-K64 PolarHBondContact OD2-N 3.3Å; M62-K64 HydrophobicContact CE-CD 4.42Å; M62-K64 VanDerWaalsContact CE-CE 3.46Å; M62-K64 HydrophobicContact CE-CG 4.17Å; M62-K64 HydrophobicContact CG-CG 4.33Å; M62-K64 VanDerWaalsContact SD-CE 3.54Å; M62-K64 HydrophobicContact SD-CG 4.48Å; K64-N89 WeakPolarHBondContact O-CB 3.09Å; K64-N89 PolarHBondContact O-ND2 3.21Å
65R98.1Very high97.8Very high111 Ų11149.3 Ų49.342%0.41924%0.235SC..SBendtrans-81.2-31.2-178.8-171.9179.4173.493.44.9112.3D42 Q43 D45 K67D42-R65 WeakPolarHBondContact O-CB 3.43Å; D42-R65 VanDerWaalsContact O-CD 3.3Å; D42-R65 WeakPolarHBondContact O-CD 3.48Å; D42-R65 WeakPolarHBondContact OD1-CB 3.11Å; D42-R65 PolarHBondContact OD1-N 2.95Å; D42-R65 PolarHBondContact OD2-N 2.98Å; Q43-R65 VanDerWaalsContact C-CD 3.43Å; Q43-R65 WeakPolarHBondContact O-CD 3.29Å; Q43-R65 PolarHBondContact O-NE 2.92Å; Q43-R65 VanDerWaalsContact O-NE 3.11Å; D45-R65 IonicContact OD1-CZ 3.84Å; D45-R65 IonicContact OD1-NE 2.7Å; D45-R65 PolarHBondContact OD1-NE 2.79Å; D45-R65 IonicContact OD1-NH2 3.35Å; D45-R65 PolarHBondContact OD1-NH2 2.67Å; D45-R65 IonicContact OD2-CZ 3.73Å; D45-R65 IonicContact OD2-NE 3.85Å; D45-R65 PolarHBondContact OD2-NE 3.41Å; D45-R65 IonicContact OD2-NH2 2.77Å; D45-R65 PolarHBondContact OD2-NH2 3.16Å; R65-K67 WeakPolarHBondContact O-CG 3.47Å; R65-K67 PolarHBondContact O-N 3.38Å
66L98.3Very high97.9Very high1 Ų141.6 Ų41.61%0.00521%0.206CC..  trans-61.3121.2-172.8-166.970000111.9I47 L63 L69 L87 N89I47-L66 HydrophobicContact CB-CD1 4.01Å; I47-L66 HydrophobicContact CD1-CD1 3.62Å; I47-L66 HydrophobicContact CD1-CD2 4.13Å; I47-L66 HydrophobicContact CG1-CD1 3.52Å; L63-L66 HydrophobicContact CB-CB 3.97Å; L63-L66 HydrophobicContact CD1-CD2 4.04Å; L66-L69 HydrophobicContact CD2-CD1 4.44Å; L66-L87 HydrophobicContact CD2-CD1 4.37Å; L66-L87 HydrophobicContact CD2-CD2 3.79Å; L66-N89 CarbonylContact O-C 3.43Å
67K98.3Very high97.9Very high69 Ų6938.8 Ų38.830%0.320%0.201SC..  trans-111.3-34.7-179.9-66.6169.4-167.2142.20112.6D21 D45 R65 L91 T92D21-K67 IonicContact OD1-NZ 2.71Å; D45-K67 PolarHBondContact O-N 3.21Å; D45-K67 IonicContact OD1-NZ 3.27Å; D45-K67 PolarHBondContact OD1-NZ 2.9Å; R65-K67 WeakPolarHBondContact O-CG 3.47Å; R65-K67 PolarHBondContact O-N 3.38Å; K67-L91 HydrophobicContact CB-CD1 4.21Å; K67-L91 HydrophobicContact CB-CG 4.35Å; K67-L91 HydrophobicContact CD-CD1 4.26Å; K67-L91 HydrophobicContact CG-CD1 4.16Å; K67-L91 PolarHBondContact O-N 3.02Å; K67-T92 PolarHBondContact O-N 3.49Å
68S98.5Very high97.8Very high12 Ų1247 Ų478%0.08423%0.232CC..EExtended strand (participates in β ladder)trans-128.1130.3-173-60.50000110.8D45 T46 I47 T92D45-S68 PolarHBondContact O-N 3.04Å; T46-S68 WeakPolarHBondContact CA-O 3.48Å; T46-S68 WeakPolarHBondContact OG1-CB 3.37Å; I47-S68 PolarHBondContact N-O 3.43Å; I47-S68 VanDerWaalsContact N-O 3.09Å; S68-T92 WeakPolarHBondContact CA-O 3.32Å
69L98.4Very high97.9Very high0 Ų045.4 Ų45.40%022%0.223CC..EExtended strand (participates in β ladder)trans-126.5121.9177.2-171.664.1000109.9I47 L49 L57 F60 L66 L71 L87 L90 T92 L93 I94I47-L69 HydrophobicContact CB-CD1 4.1Å; I47-L69 HydrophobicContact CG2-CD1 4.28Å; L49-L69 HydrophobicContact CD1-CD1 4.17Å; L57-L69 HydrophobicContact CD1-CD2 3.83Å; F60-L69 HydrophobicContact CE1-CD1 4.28Å; F60-L69 HydrophobicContact CE1-CD2 4.45Å; F60-L69 HydrophobicContact CE2-CD2 3.9Å; F60-L69 HydrophobicContact CZ-CD1 3.93Å; F60-L69 HydrophobicContact CZ-CD2 3.55Å; F60-L69 HydrophobicContact CZ-CG 4.41Å; L66-L69 HydrophobicContact CD2-CD1 4.44Å; L69-L71 HydrophobicContact CD2-CD1 3.65Å; L69-L71 HydrophobicContact CG-CD1 3.74Å; L69-L71 HydrophobicContact CG-CG 4.17Å; L69-L87 HydrophobicContact CD2-CD1 4.3Å; L69-L90 HydrophobicContact CB-CD1 3.96Å; L69-T92 PolarHBondContact N-O 3.25Å; L69-L93 HydrophobicContact CB-CD1 4.06Å; L69-L93 HydrophobicContact CD2-CD1 4.07Å; L69-L93 HydrophobicContact CG-CD1 4.3Å; L69-I94 PolarHBondContact O-N 3.08Å
70I98.5Very high98Very high30 Ų3044 Ų4415%0.15421%0.209CC..EExtended strand (participates in β ladder)trans-112.5118.6-177.3-47.1178.1000108.7T46 I47 D48 L49 S50 I94T46-I70 HydrophobicContact CG2-CD1 4.04Å; T46-I70 HydrophobicContact CG2-CG1 4.33Å; I47-I70 PolarHBondContact O-N 3.04Å; D48-I70 HydrophobicContact CB-CB 4.37Å; D48-I70 HydrophobicContact CB-CD1 4.5Å; L49-I70 PolarHBondContact N-O 3.32Å; S50-I70 WeakPolarHBondContact OG-CG2 3.37Å; I70-I94 HydrophobicContact CG1-CD1 4.28Å; I70-I94 HydrophobicContact CG2-CB 4.25Å; I70-I94 HydrophobicContact CG2-CD1 4.43Å; I70-I94 HydrophobicContact CG2-CG2 4.39Å
71L98.6Very high97.9Very high0 Ų050.3 Ų50.30%024%0.238CC..  trans-131.637.3-175-72.5152.8000110.9I34 L49 I54 L57 L69 N74 I76 L93 I94 L95 N98I34-L71 HydrophobicContact CD1-CD2 4.24Å; L49-L71 HydrophobicContact CB-CD2 3.53Å; L49-L71 HydrophobicContact CB-CG 4.36Å; L49-L71 HydrophobicContact CD1-CD2 3.89Å; L49-L71 HydrophobicContact CG-CD2 4.37Å; I54-L71 HydrophobicContact CD1-CD2 3.78Å; L57-L71 HydrophobicContact CD1-CD1 3.42Å; L57-L71 VanDerWaalsContact CD1-CD1 3.42Å; L57-L71 HydrophobicContact CD2-CD1 4.45Å; L69-L71 HydrophobicContact CD2-CD1 3.65Å; L69-L71 HydrophobicContact CG-CD1 3.74Å; L69-L71 HydrophobicContact CG-CG 4.17Å; L71-N74 PolarHBondContact O-ND2 2.85Å; L71-I76 HydrophobicContact CB-CD1 3.84Å; L71-I76 HydrophobicContact CD1-CD1 3.88Å; L71-I76 HydrophobicContact CD2-CD1 4.04Å; L71-I76 HydrophobicContact CG-CD1 4.15Å; L71-L93 HydrophobicContact CD1-CD1 4.19Å; L71-I94 WeakPolarHBondContact CA-O 3.35Å; L71-I94 PolarHBondContact N-O 3.47Å; L71-L95 HydrophobicContact CB-CD2 4Å; L71-L95 HydrophobicContact CD1-CD2 3.93Å; L71-N98 PolarHBondContact O-ND2 3.2Å
72T98.5Very high97.8Very high33 Ų3350.9 Ų50.920%0.20224%0.239CC..THydrogen-bonded Turntrans-60.9142.7-180-550000110.4S50 D51 N74 T96S50-T72 CarbonylContact C-O 2.99Å; S50-T72 VanDerWaalsContact CA-O 3.23Å; S50-T72 WeakPolarHBondContact CA-O 3.47Å; D51-T72 PolarHBondContact N-O 3.32Å; T72-N74 PolarHBondContact O-N 2.89Å; T72-N74 PolarHBondContact O-ND2 3.49Å; T72-T96 WeakPolarHBondContact CA-O 3.31Å
73N98.5Very high97.7Very high78 Ų7845.7 Ų45.742%0.41721%0.213SC..THydrogen-bonded Turntrans54.951.2176.3-61.4-16.8000113.7D51 T96 S97D51-N73 VanDerWaalsContact OD1-CB 3.26Å; D51-N73 WeakPolarHBondContact OD1-CB 3.43Å; D51-N73 PolarHBondContact OD1-ND2 2.95Å; N73-T96 PolarHBondContact N-O 3.16Å; N73-S97 WeakPolarHBondContact OD1-CB 3.27Å; N73-S97 PolarHBondContact OD1-OG 3.47Å
74N98.6Very high97.6Very high3 Ų346 Ų462%0.01622%0.218CC..  trans-113.5-174.3173.2-88.1-87000111L49 N52 I54 L71 T72 I76 N98 Y99L49-N74 PolarHBondContact O-ND2 3.02Å; N52-N74 WeakPolarHBondContact CA-OD1 3.38Å; N52-N74 WeakPolarHBondContact CB-OD1 3.42Å; N52-N74 PolarHBondContact O-OD1 3.01Å; I54-N74 HydrophobicContact CB-CB 4.45Å; I54-N74 VanDerWaalsContact CB-OD1 3.3Å; I54-N74 WeakPolarHBondContact CB-OD1 3.5Å; I54-N74 WeakPolarHBondContact CG1-OD1 3.36Å; I54-N74 PolarHBondContact N-OD1 2.88Å; I54-N74 VanDerWaalsContact N-OD1 3.07Å; L71-N74 PolarHBondContact O-ND2 2.85Å; T72-N74 PolarHBondContact O-N 2.89Å; T72-N74 PolarHBondContact O-ND2 3.49Å; N74-I76 HydrophobicContact CB-CD1 4.24Å; N74-I76 HydrophobicContact CB-CG1 4.12Å; N74-N98 WeakPolarHBondContact CA-OD1 3.47Å; N74-N98 WeakPolarHBondContact CB-OD1 3.32Å; N74-N98 PolarHBondContact O-OD1 3Å; N74-Y99 WeakPolarHBondContact O-CD2 3.41Å; N74-Y99 WeakPolarHBondContact O-CE2 3.39Å
75K98.2Very high97.5Very high75 Ų7546.3 Ų46.333%0.32622%0.221SC..  trans-107.324.9-179.7-64.3179.2-174.7170.30112.4E53 I54 R55 A77 Y99E53-K75 HydrophobicContact CB-CD 4.27Å; E53-K75 IonicContact OE2-NZ 3.88Å; E53-K75 PolarHBondContact OE2-NZ 3.04Å; I54-K75 CarbonylContact O-C 3.21Å; I54-K75 WeakPolarHBondContact O-CA 3.47Å; I54-K75 PolarHBondContact O-N 2.87Å; R55-K75 WeakPolarHBondContact CA-O 3.42Å; R55-K75 HydrophobicContact CG-CB 4.14Å; K75-A77 PolarHBondContact O-N 3.16Å; K75-Y99 HydrophobicContact CB-CD2 4.35Å; K75-Y99 HydrophobicContact CB-CE2 4.43Å; K75-Y99 HydrophobicContact CG-CE2 4.16Å
76I98.5Very high97.5Very high0 Ų043.5 Ų43.50%021%0.213CC..  trans-68.3117.8-169.1-61.4167.2000109.8I54 R55 L57 L71 N74 L95 N98 Y99 L100I54-I76 HydrophobicContact CB-CG1 4.47Å; I54-I76 HydrophobicContact CG2-CG1 4.14Å; I54-I76 WeakPolarHBondContact O-CG1 3.29Å; I54-I76 PolarHBondContact O-N 3.44Å; R55-I76 WeakPolarHBondContact O-CA 3.12Å; L57-I76 HydrophobicContact CB-CG2 4.13Å; L71-I76 HydrophobicContact CB-CD1 3.84Å; L71-I76 HydrophobicContact CD1-CD1 3.88Å; L71-I76 HydrophobicContact CD2-CD1 4.04Å; L71-I76 HydrophobicContact CG-CD1 4.15Å; N74-I76 HydrophobicContact CB-CD1 4.24Å; N74-I76 HydrophobicContact CB-CG1 4.12Å; I76-L95 HydrophobicContact CD1-CD2 3.49Å; I76-L95 VanDerWaalsContact CD1-CD2 3.49Å; I76-N98 HydrophobicContact CB-CB 4.16Å; I76-N98 VanDerWaalsContact CB-OD1 3.24Å; I76-N98 WeakPolarHBondContact CB-OD1 3.38Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.23Å; I76-N98 PolarHBondContact N-OD1 3.46Å; I76-Y99 CarbonylContact O-C 3.57Å; I76-Y99 VanDerWaalsContact O-C 3.23Å; I76-Y99 VanDerWaalsContact O-CA 3.31Å; I76-Y99 WeakPolarHBondContact O-CA 3.43Å; I76-Y99 PolarHBondContact O-N 3.48Å; I76-L100 PolarHBondContact O-N 2.94Å; I76-L100 VanDerWaalsContact O-N 3.14Å
77A97.8Very high97.5Very high38 Ų3843.5 Ų43.531%0.31421%0.213SC..  trans-114.5-11.8176.600000112.9R55 K75R55-A77 PolarHBondContact O-N 2.87Å; K75-A77 PolarHBondContact O-N 3.16Å
78R97.3Very high97.4Very high173 Ų17342.3 Ų42.365%0.65321%0.212SC*.EExtended strand (participates in β ladder)trans-146152.5-179-65.4-169.4-178.3-163.11.1111.9K56 L57K56-R78 WeakPolarHBondContact CA-O 3.37Å; K56-R78 HydrophobicContact CG-CB 4.22Å; L57-R78 PolarHBondContact N-O 2.96Å
79I98Very high97.4Very high12 Ų1244.1 Ų44.16%0.06222%0.221CC..EExtended strand (participates in β ladder)trans-118.9140177.3-54176.6000108.5L57 L83 L95 L100 L106 P108 L109L57-I79 HydrophobicContact CB-CG1 4.32Å; L57-I79 HydrophobicContact CB-CG2 4.38Å; L57-I79 HydrophobicContact CD2-CG1 4.42Å; L57-I79 HydrophobicContact CD2-CG2 4.14Å; L57-I79 HydrophobicContact CG-CG2 4.43Å; I79-L83 HydrophobicContact CG2-CB 4.44Å; I79-L83 HydrophobicContact CG2-CD2 3.77Å; I79-L95 HydrophobicContact CD1-CD1 4.41Å; I79-L100 HydrophobicContact CD1-CD1 4.21Å; I79-L100 HydrophobicContact CD1-CD2 4.28Å; I79-L100 HydrophobicContact CG1-CD2 4.12Å; I79-L106 HydrophobicContact CD1-CD2 4.47Å; I79-P108 HydrophobicContact CB-CB 4.05Å; I79-P108 HydrophobicContact CB-CG 4.25Å; I79-P108 HydrophobicContact CG2-CB 3.83Å; I79-L109 HydrophobicContact CD1-CD1 3.96Å; I79-L109 HydrophobicContact CD1-CD2 3.82Å; I79-L109 HydrophobicContact CD1-CG 3.74Å; I79-L109 HydrophobicContact CG2-CD2 4.36Å
80A96.8Very high97.4Very high4 Ų444.2 Ų44.23%0.03322%0.221CC..  trans-71.2139.7176.800000112.1L57 D58 D82 L83 P108L57-A80 WeakPolarHBondContact O-CB 3.31Å; L57-A80 PolarHBondContact O-N 2.71Å; D58-A80 HydrophobicContact CB-CB 3.85Å; D58-A80 WeakPolarHBondContact OD1-CB 3.35Å; A80-D82 WeakPolarHBondContact CB-OD1 3.46Å; A80-D82 PolarHBondContact O-N 3.25Å; A80-L83 WeakPolarHBondContact O-CB 3.32Å; A80-L83 PolarHBondContact O-N 2.76Å; A80-P108 WeakPolarHBondContact O-CB 3.18Å
81E95.1Very high97.4Very high139 Ų13945.6 Ų45.665%0.6523%0.229SC*.THydrogen-bonded Turntrans-66.1-23.2-177-65.2-176.3175.800113.7P108E81-P108 HydrophobicContact CG-CG 4.44Å
82D94.7Very high97.4Very high56 Ų5647.3 Ų47.330%0.29924%0.239SC..THydrogen-bonded Turntrans-103.914.3-178.359.3-4.2000113A80 G84 Q85 H86A80-D82 WeakPolarHBondContact CB-OD1 3.46Å; A80-D82 PolarHBondContact O-N 3.25Å; D82-G84 PolarHBondContact O-N 3.05Å; D82-Q85 HydrophobicContact CB-CG 4.36Å; D82-Q85 WeakPolarHBondContact O-CB 3.26Å; D82-Q85 PolarHBondContact O-N 3.19Å; D82-H86 PolarHBondContact O-N 2.99Å; D82-H86 PolarHBondContact O-ND1 3.2Å; D82-H86 VanDerWaalsContact O-ND1 3.14Å; D82-H86 IonicContact OD1-CE1 2.62Å; D82-H86 IonicContact OD1-ND1 3.41Å; D82-H86 IonicContact OD2-CE1 2.74Å; D82-H86 PolarHBondContact OD2-CE1 3.41Å; D82-H86 VanDerWaalsContact OD2-CE1 3.26Å; D82-H86 IonicContact OD2-ND1 3.07Å
83L96.2Very high97.4Very high2 Ų245.7 Ų45.71%0.0123%0.229CC..Hα-helixtrans-52.3-42179.7-175.269000112.1L57 F60 I79 A80 Q85 H86 L87 L109L57-L83 HydrophobicContact CD2-CD2 3.73Å; L57-L83 HydrophobicContact CG-CD1 4.14Å; L57-L83 HydrophobicContact CG-CD2 4.14Å; F60-L83 HydrophobicContact CD2-CD1 4.16Å; I79-L83 HydrophobicContact CG2-CB 4.44Å; I79-L83 HydrophobicContact CG2-CD2 3.77Å; A80-L83 WeakPolarHBondContact O-CB 3.32Å; A80-L83 PolarHBondContact O-N 2.76Å; L83-Q85 VanDerWaalsContact C-N 3.27Å; L83-Q85 PolarHBondContact O-N 3.1Å; L83-H86 PolarHBondContact O-N 3.04Å; L83-L87 HydrophobicContact CD1-CD1 3.79Å; L83-L87 HydrophobicContact CD1-CG 4.35Å; L83-L87 HydrophobicContact CG-CD1 4.39Å; L83-L87 PolarHBondContact O-N 2.84Å; L83-L109 HydrophobicContact CD2-CD2 4.34Å
84G95.2Very high97.4Very high11 Ų1143.2 Ų43.211%0.11322%0.216CC..Hα-helixtrans-64.7-25.2177.500000114.8D82 P88 S111D82-G84 PolarHBondContact O-N 3.05Å; G84-P88 WeakPolarHBondContact O-CA 3.42Å; G84-S111 PolarHBondContact N-OG 2.92Å; G84-S111 VanDerWaalsContact N-OG 3.12Å
85Q96.4Very high97.4Very high126 Ų12643.1 Ų43.159%0.58922%0.215SC*.Hα-helixtrans-74-36.7176.3-58.3-17644.600111.2D82 L83D82-Q85 HydrophobicContact CB-CG 4.36Å; D82-Q85 WeakPolarHBondContact O-CB 3.26Å; D82-Q85 PolarHBondContact O-N 3.19Å; L83-Q85 VanDerWaalsContact C-N 3.27Å; L83-Q85 PolarHBondContact O-N 3.1Å
86H97.3Very high97.4Very high52 Ų5240.3 Ų40.324%0.24120%0.204CC..Hα-helixtrans-80.5-34.7179.7-64107000112.5F60 M62 L63 D82 L83 P88F60-H86 HydrophobicContact CB-CB 4.06Å; F60-H86 PolarHBondContact O-CD2 3.25Å; F60-H86 VanDerWaalsContact O-CG 3.24Å; M62-H86 CarbonylContact C-O 3.37Å; M62-H86 WeakPolarHBondContact CA-O 3.31Å; L63-H86 PolarHBondContact N-O 3.23Å; D82-H86 PolarHBondContact O-N 2.99Å; D82-H86 PolarHBondContact O-ND1 3.2Å; D82-H86 VanDerWaalsContact O-ND1 3.14Å; D82-H86 IonicContact OD1-CE1 2.62Å; D82-H86 IonicContact OD1-ND1 3.41Å; D82-H86 IonicContact OD2-CE1 2.74Å; D82-H86 PolarHBondContact OD2-CE1 3.41Å; D82-H86 VanDerWaalsContact OD2-CE1 3.26Å; D82-H86 IonicContact OD2-ND1 3.07Å; L83-H86 PolarHBondContact O-N 3.04Å; H86-P88 VanDerWaalsContact O-CD 3.26Å; H86-P88 WeakPolarHBondContact O-CD 3.47Å
87L97.7Very high97.4Very high1 Ų142 Ų421%0.00522%0.216CC..  trans-120.464.6-176.9-53.6-177.6000111.9F60 L63 L66 L69 L83 N89 L90F60-L87 HydrophobicContact CB-CD2 3.99Å; F60-L87 HydrophobicContact CB-CG 4.38Å; F60-L87 HydrophobicContact CD1-CD2 4.13Å; F60-L87 HydrophobicContact CD2-CD1 4.05Å; F60-L87 HydrophobicContact CE2-CD1 4.25Å; F60-L87 HydrophobicContact CG-CD1 4.21Å; F60-L87 HydrophobicContact CG-CD2 4.01Å; F60-L87 HydrophobicContact CG-CG 4.34Å; L63-L87 HydrophobicContact CB-CD2 3.88Å; L63-L87 HydrophobicContact CD1-CD2 4.12Å; L63-L87 HydrophobicContact CG-CD2 4.32Å; L66-L87 HydrophobicContact CD2-CD1 4.37Å; L66-L87 HydrophobicContact CD2-CD2 3.79Å; L69-L87 HydrophobicContact CD2-CD1 4.3Å; L83-L87 HydrophobicContact CD1-CD1 3.79Å; L83-L87 HydrophobicContact CD1-CG 4.35Å; L83-L87 HydrophobicContact CG-CD1 4.39Å; L83-L87 PolarHBondContact O-N 2.84Å; L87-N89 PolarHBondContact O-N 3.12Å; L87-N89 VanDerWaalsContact O-N 3.09Å; L87-L90 HydrophobicContact CB-CB 4.08Å; L87-L90 HydrophobicContact CD1-CD1 4.46Å; L87-L90 HydrophobicContact CD1-CD2 4.23Å; L87-L90 WeakPolarHBondContact O-CB 3.44Å; L87-L90 PolarHBondContact O-N 3.15Å
88P96.9Very high97.4Very high44 Ų4440.4 Ų40.429%0.28620%0.203SC..THydrogen-bonded Turntrans-66.1-17.3-170.327.3-37.2000114.3G84 H86G84-P88 WeakPolarHBondContact O-CA 3.42Å; H86-P88 VanDerWaalsContact O-CD 3.26Å; H86-P88 WeakPolarHBondContact O-CD 3.47Å
89N97.8Very high97.4Very high50 Ų5038.9 Ų38.927%0.26720%0.198SC..THydrogen-bonded Turntrans-112.515.9-178.3-69.6-41.3000113.7K64 L66 L87 L91 K114K64-N89 WeakPolarHBondContact O-CB 3.09Å; K64-N89 PolarHBondContact O-ND2 3.21Å; L66-N89 CarbonylContact O-C 3.43Å; L87-N89 PolarHBondContact O-N 3.12Å; L87-N89 VanDerWaalsContact O-N 3.09Å; N89-L91 PolarHBondContact O-N 3.47Å; N89-K114 PolarHBondContact OD1-NZ 3.06Å
90L98.3Very high97.4Very high1 Ų138.3 Ų38.31%0.00520%0.195CC..  trans-63117.5177.6-168.668.5000111L69 L87 L93 K114 L115L69-L90 HydrophobicContact CB-CD1 3.96Å; L87-L90 HydrophobicContact CB-CB 4.08Å; L87-L90 HydrophobicContact CD1-CD1 4.46Å; L87-L90 HydrophobicContact CD1-CD2 4.23Å; L87-L90 WeakPolarHBondContact O-CB 3.44Å; L87-L90 PolarHBondContact O-N 3.15Å; L90-L93 HydrophobicContact CD2-CB 4.4Å; L90-K114 CarbonylContact O-C 3.53Å; L90-L115 HydrophobicContact CD2-CD1 4.41Å; L90-L115 HydrophobicContact CG-CD1 4.33Å; L90-L115 WeakPolarHBondContact O-CA 3.33Å; L90-L115 PolarHBondContact O-N 2.92Å
91L98.4Very high97.4Very high60 Ų6040.1 Ų40.131%0.31421%0.207SC..  trans-104.1-37.1179-61.1179000112.1K67 N89 K114 N116 F117K67-L91 HydrophobicContact CB-CD1 4.21Å; K67-L91 HydrophobicContact CB-CG 4.35Å; K67-L91 HydrophobicContact CD-CD1 4.26Å; K67-L91 HydrophobicContact CG-CD1 4.16Å; K67-L91 PolarHBondContact O-N 3.02Å; N89-L91 PolarHBondContact O-N 3.47Å; L91-K114 HydrophobicContact CD2-CB 3.96Å; L91-K114 WeakPolarHBondContact CD2-O 3.4Å; L91-N116 PolarHBondContact O-N 2.67Å; L91-F117 PolarHBondContact O-N 3.45Å
92T98.6Very high97.4Very high35 Ų3537 Ų3722%0.21520%0.195CC..EExtended strand (participates in β ladder)trans-129.4125-172.7-590000110.1K67 S68 L69 I94 F117K67-T92 PolarHBondContact O-N 3.49Å; S68-T92 WeakPolarHBondContact CA-O 3.32Å; L69-T92 PolarHBondContact N-O 3.25Å; T92-I94 HydrophobicContact CG2-CD1 4.43Å; T92-I94 HydrophobicContact CG2-CG1 4.14Å; T92-F117 WeakPolarHBondContact CA-O 3.41Å; T92-F117 HydrophobicContact CG2-CB 4.17Å; T92-F117 HydrophobicContact CG2-CD1 3.85Å; T92-F117 HydrophobicContact CG2-CG 4.25Å
93L98.6Very high97.5Very high0 Ų036.3 Ų36.30%019%0.191CC..EExtended strand (participates in β ladder)trans-128.1117.7174.5-179.259.2000110.1L57 L69 L71 L90 L95 L109 L115 F117 L118 S119L57-L93 HydrophobicContact CD2-CD1 4.11Å; L57-L93 HydrophobicContact CD2-CD2 4.02Å; L69-L93 HydrophobicContact CB-CD1 4.06Å; L69-L93 HydrophobicContact CD2-CD1 4.07Å; L69-L93 HydrophobicContact CG-CD1 4.3Å; L71-L93 HydrophobicContact CD1-CD1 4.19Å; L90-L93 HydrophobicContact CD2-CB 4.4Å; L93-L95 HydrophobicContact CD1-CD1 4.44Å; L93-L95 HydrophobicContact CD1-CD2 4.46Å; L93-L95 HydrophobicContact CD1-CG 4.16Å; L93-L95 HydrophobicContact CD2-CD1 3.78Å; L93-L95 HydrophobicContact CD2-CG 4.36Å; L93-L95 HydrophobicContact CG-CD1 3.93Å; L93-L95 HydrophobicContact CG-CG 3.98Å; L93-L109 HydrophobicContact CD2-CD2 3.58Å; L93-L115 HydrophobicContact CB-CD1 3.77Å; L93-F117 PolarHBondContact N-O 3.01Å; L93-L118 HydrophobicContact CB-CD1 4.12Å; L93-L118 HydrophobicContact CD2-CD1 4.12Å; L93-L118 HydrophobicContact CG-CD1 4.14Å; L93-L118 WeakPolarHBondContact O-CA 3.4Å; L93-S119 PolarHBondContact O-N 3.18Å
94I98.6Very high97.4Very high26 Ų2643.9 Ų43.913%0.13322%0.224CC..EExtended strand (participates in β ladder)trans-109.8112.3178.6-57.2179.7000108.7L69 I70 L71 T92 F117L69-I94 PolarHBondContact O-N 3.08Å; I70-I94 HydrophobicContact CG1-CD1 4.28Å; I70-I94 HydrophobicContact CG2-CB 4.25Å; I70-I94 HydrophobicContact CG2-CD1 4.43Å; I70-I94 HydrophobicContact CG2-CG2 4.39Å; L71-I94 WeakPolarHBondContact CA-O 3.35Å; L71-I94 PolarHBondContact N-O 3.47Å; T92-I94 HydrophobicContact CG2-CD1 4.43Å; T92-I94 HydrophobicContact CG2-CG1 4.14Å; I94-F117 HydrophobicContact CG1-CE1 4.43Å
95L98.6Very high97.4Very high0 Ų045.1 Ų45.10%023%0.228CC..  trans-117.725.4179.6-70.7166.2000111.4L57 L71 I76 I79 L93 S97 N98 L100 L118 S119 L120 C123L57-L95 HydrophobicContact CD2-CD2 4.4Å; L71-L95 HydrophobicContact CB-CD2 4Å; L71-L95 HydrophobicContact CD1-CD2 3.93Å; I76-L95 HydrophobicContact CD1-CD2 3.49Å; I76-L95 VanDerWaalsContact CD1-CD2 3.49Å; I79-L95 HydrophobicContact CD1-CD1 4.41Å; L93-L95 HydrophobicContact CD1-CD1 4.44Å; L93-L95 HydrophobicContact CD1-CD2 4.46Å; L93-L95 HydrophobicContact CD1-CG 4.16Å; L93-L95 HydrophobicContact CD2-CD1 3.78Å; L93-L95 HydrophobicContact CD2-CG 4.36Å; L93-L95 HydrophobicContact CG-CD1 3.93Å; L93-L95 HydrophobicContact CG-CG 3.98Å; L95-S97 PolarHBondContact O-N 2.93Å; L95-N98 VanDerWaalsContact C-ND2 3.26Å; L95-N98 WeakPolarHBondContact O-CB 3.31Å; L95-N98 PolarHBondContact O-N 3.22Å; L95-N98 PolarHBondContact O-ND2 3.34Å; L95-L100 HydrophobicContact CD1-CD1 3.94Å; L95-L118 HydrophobicContact CD1-CD1 4.42Å; L95-S119 CarbonylContact C-O 3.23Å; L95-S119 WeakPolarHBondContact CA-O 3.31Å; L95-S119 WeakPolarHBondContact CB-O 3.38Å; L95-S119 PolarHBondContact N-O 3.38Å; L95-L120 HydrophobicContact CB-CD2 4.02Å; L95-L120 HydrophobicContact CD1-CD2 3.95Å; L95-C123 PolarHBondContact O-SG 2.94Å
96T98.4Very high97.4Very high17 Ų1739.3 Ų39.310%0.10420%0.201CC..THydrogen-bonded Turntrans-54.1135.7179.4-56.20000111.2T72 N73 N98 S119 L121T72-T96 WeakPolarHBondContact CA-O 3.31Å; N73-T96 PolarHBondContact N-O 3.16Å; T96-N98 PolarHBondContact O-ND2 3.43Å; T96-S119 PolarHBondContact OG1-OG 3.28Å; T96-L121 CarbonylContact C-O 3.58Å; T96-L121 VanDerWaalsContact CA-O 3.26Å; T96-L121 WeakPolarHBondContact CA-O 3.49Å; T96-L121 HydrophobicContact CG2-CB 4.05Å
97S98.1Very high97.3Very high36 Ų3638 Ų3825%0.25220%0.195SC..THydrogen-bonded Turntrans58.553.6-179.9-54.80000113.7N73 L95 L121N73-S97 WeakPolarHBondContact OD1-CB 3.27Å; N73-S97 PolarHBondContact OD1-OG 3.47Å; L95-S97 PolarHBondContact O-N 2.93Å; S97-L121 PolarHBondContact N-O 2.77Å
98N98.5Very high97.2Very high4 Ų438.8 Ų38.82%0.02120%0.201CC..  trans-118.3-173.8171.5-80.6-84.3000111.4L71 N74 I76 L95 T96 P124L71-N98 PolarHBondContact O-ND2 3.2Å; N74-N98 WeakPolarHBondContact CA-OD1 3.47Å; N74-N98 WeakPolarHBondContact CB-OD1 3.32Å; N74-N98 PolarHBondContact O-OD1 3Å; I76-N98 HydrophobicContact CB-CB 4.16Å; I76-N98 VanDerWaalsContact CB-OD1 3.24Å; I76-N98 WeakPolarHBondContact CB-OD1 3.38Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.23Å; I76-N98 PolarHBondContact N-OD1 3.46Å; L95-N98 VanDerWaalsContact C-ND2 3.26Å; L95-N98 WeakPolarHBondContact O-CB 3.31Å; L95-N98 PolarHBondContact O-N 3.22Å; L95-N98 PolarHBondContact O-ND2 3.34Å; T96-N98 PolarHBondContact O-ND2 3.43Å; N98-P124 VanDerWaalsContact O-CD 3.31Å; N98-P124 WeakPolarHBondContact O-CD 3.33Å
99Y97.9Very high97.2Very high140 Ų14036.8 Ų36.855%0.54919%0.188SC..  trans-114.320.8-168.6-68.4-101.2000113.5N74 K75 I76 S101N74-Y99 WeakPolarHBondContact O-CD2 3.41Å; N74-Y99 WeakPolarHBondContact O-CE2 3.39Å; K75-Y99 HydrophobicContact CB-CD2 4.35Å; K75-Y99 HydrophobicContact CB-CE2 4.43Å; K75-Y99 HydrophobicContact CG-CE2 4.16Å; I76-Y99 CarbonylContact O-C 3.57Å; I76-Y99 VanDerWaalsContact O-C 3.23Å; I76-Y99 VanDerWaalsContact O-CA 3.31Å; I76-Y99 WeakPolarHBondContact O-CA 3.43Å; I76-Y99 PolarHBondContact O-N 3.48Å; Y99-S101 PolarHBondContact O-N 3.47Å
100L97.7Very high97Very high0 Ų036 Ų360%019%0.186CC..  trans-62.7122.7171.7-69.2164.5000109I76 I79 L95 D105 L106 L120 C123 P124 V125I76-L100 PolarHBondContact O-N 2.94Å; I76-L100 VanDerWaalsContact O-N 3.14Å; I79-L100 HydrophobicContact CD1-CD1 4.21Å; I79-L100 HydrophobicContact CD1-CD2 4.28Å; I79-L100 HydrophobicContact CG1-CD2 4.12Å; L95-L100 HydrophobicContact CD1-CD1 3.94Å; L100-D105 HydrophobicContact CD2-CB 3.85Å; L100-L106 HydrophobicContact CB-CD2 4.48Å; L100-L106 HydrophobicContact CD1-CD2 3.89Å; L100-L106 HydrophobicContact CD2-CD2 4.48Å; L100-L120 HydrophobicContact CD1-CD2 3.64Å; L100-C123 HydrophobicContact CB-CB 4.44Å; L100-P124 VanDerWaalsContact O-CD 3.31Å; L100-P124 WeakPolarHBondContact O-CD 3.4Å; L100-V125 HydrophobicContact CB-CG1 4.19Å; L100-V125 WeakPolarHBondContact O-CB 3.5Å; L100-V125 PolarHBondContact O-N 3.12Å
101S96.3Very high96.8Very high42 Ų4237.3 Ų37.329%0.29420%0.195SC..  trans-122.9-33.6-164.773.10000114.2Y99 D105 R128Y99-S101 PolarHBondContact O-N 3.47Å; S101-D105 PolarHBondContact N-OD2 3.18Å; S101-R128 PolarHBondContact O-NE 3.28Å; S101-R128 PolarHBondContact O-NH2 2.83Å
102D96.2Very high96.7Very high75 Ų7534.7 Ų34.740%0.40118%0.182SC..SBendtrans-109.3150.1179.4-69.6-39000111K104 D105 R128D102-K104 PolarHBondContact O-N 2.88Å; D102-D105 PolarHBondContact N-OD2 3.41Å; D102-D105 WeakPolarHBondContact O-CB 3.38Å; D102-D105 PolarHBondContact O-N 2.88Å; D102-R128 IonicContact OD1-CZ 3.73Å; D102-R128 IonicContact OD1-NH2 3.46Å; D102-R128 PolarHBondContact OD1-NH2 3.28Å
103L95.7Very high96.5Very high41 Ų4139.4 Ų39.422%0.21521%0.206CC..G310 helixtrans-61.3-33.2179.3-66.5176.1000112.1D105 L106 V125 R128 Y134L103-D105 VanDerWaalsContact C-N 3.26Å; L103-D105 PolarHBondContact O-N 3.45Å; L103-L106 WeakPolarHBondContact O-CB 3.2Å; L103-L106 PolarHBondContact O-N 3.04Å; L103-V125 HydrophobicContact CD2-CG2 3.85Å; L103-R128 HydrophobicContact CD1-CB 4.49Å; L103-R128 HydrophobicContact CD2-CB 4.01Å; L103-R128 HydrophobicContact CG-CB 4.14Å; L103-R128 HydrophobicContact CG-CG 4.49Å; L103-Y134 HydrophobicContact CB-CD1 3.88Å; L103-Y134 HydrophobicContact CB-CD2 4.3Å; L103-Y134 HydrophobicContact CB-CE1 3.84Å; L103-Y134 HydrophobicContact CB-CE2 4.24Å; L103-Y134 HydrophobicContact CB-CG 4.12Å; L103-Y134 HydrophobicContact CD1-CD2 4.07Å; L103-Y134 HydrophobicContact CD1-CG 4.11Å; L103-Y134 HydrophobicContact CD2-CD1 4.16Å; L103-Y134 HydrophobicContact CD2-CG 4.15Å; L103-Y134 HydrophobicContact CG-CD1 4.45Å; L103-Y134 HydrophobicContact CG-CG 4.36Å; L103-Y134 WeakPolarHBondContact O-CE1 3.43Å
104K94.5Very high96.4Very high161 Ų16144.2 Ų44.270%0.723%0.227SC*.G310 helixtrans-66.9-25.9179.5-64.1-176.3179.8-178.30113.1D102 L106 D107D102-K104 PolarHBondContact O-N 2.88Å; K104-L106 PolarHBondContact O-N 2.88Å; K104-L106 VanDerWaalsContact O-N 3.1Å; K104-D107 WeakPolarHBondContact O-CB 3.5Å; K104-D107 PolarHBondContact O-N 3.37Å
105D95.6Very high96.4Very high37 Ų3743 Ų4320%0.19822%0.221CC..G310 helixtrans-63.6-17.4177.1-59-33.7000111.9L100 S101 D102 L103L100-D105 HydrophobicContact CD2-CB 3.85Å; S101-D105 PolarHBondContact N-OD2 3.18Å; D102-D105 PolarHBondContact N-OD2 3.41Å; D102-D105 WeakPolarHBondContact O-CB 3.38Å; D102-D105 PolarHBondContact O-N 2.88Å; L103-D105 VanDerWaalsContact C-N 3.26Å; L103-D105 PolarHBondContact O-N 3.45Å
106L96.7Very high96.3Very high3 Ų345.2 Ų45.22%0.01623%0.232CC..G310 helixtrans-92.7-10.6178.7-52.4-178.7000113.3I79 L100 L103 K104 P108 L109 L120 V125 Y131 V135I79-L106 HydrophobicContact CD1-CD2 4.47Å; L100-L106 HydrophobicContact CB-CD2 4.48Å; L100-L106 HydrophobicContact CD1-CD2 3.89Å; L100-L106 HydrophobicContact CD2-CD2 4.48Å; L103-L106 WeakPolarHBondContact O-CB 3.2Å; L103-L106 PolarHBondContact O-N 3.04Å; K104-L106 PolarHBondContact O-N 2.88Å; K104-L106 VanDerWaalsContact O-N 3.1Å; L106-P108 VanDerWaalsContact C-N 3.32Å; L106-L109 HydrophobicContact CB-CD1 4.38Å; L106-L109 HydrophobicContact CD2-CD1 4.24Å; L106-L109 VanDerWaalsContact O-CB 3.31Å; L106-L109 WeakPolarHBondContact O-CB 3.11Å; L106-L109 PolarHBondContact O-N 3.43Å; L106-L109 VanDerWaalsContact O-N 3.09Å; L106-L120 HydrophobicContact CD1-CD1 3.82Å; L106-L120 HydrophobicContact CD2-CD1 3.99Å; L106-L120 HydrophobicContact CD2-CD2 4.1Å; L106-V125 HydrophobicContact CD1-CG1 4.33Å; L106-V125 HydrophobicContact CD1-CG2 3.83Å; L106-V125 HydrophobicContact CG-CG2 4.39Å; L106-Y131 HydrophobicContact CD1-CE2 4.44Å; L106-V135 HydrophobicContact CD1-CG2 3.54Å
107D94.9Very high96.4Very high24 Ų2446.2 Ų46.213%0.12824%0.235CC..G310 helixtrans-56.5-37.9-179.8-72.4-20.8000113.3K104 L109 S110 Y134 R138K104-D107 WeakPolarHBondContact O-CB 3.5Å; K104-D107 PolarHBondContact O-N 3.37Å; D107-L109 PolarHBondContact O-N 3.36Å; D107-L109 VanDerWaalsContact O-N 3.12Å; D107-S110 VanDerWaalsContact O-CB 3.32Å; D107-S110 WeakPolarHBondContact O-CB 3.26Å; D107-S110 PolarHBondContact O-N 2.88Å; D107-S110 PolarHBondContact O-OG 3.11Å; D107-Y134 WeakPolarHBondContact OD1-CE1 3.24Å; D107-Y134 PolarHBondContact OD1-OH 2.72Å; D107-Y134 PolarHBondContact OD2-OH 2.79Å; D107-R138 IonicContact OD1-CZ 2.65Å; D107-R138 IonicContact OD1-NE 3.26Å; D107-R138 PolarHBondContact OD1-NE 3.21Å; D107-R138 IonicContact OD1-NH2 2.75Å
108P95.9Very high96.4Very high19 Ų1944.5 Ų44.512%0.12322%0.223CC..G310 helixtrans-57-26.2175.5-30.438.9000115.3I79 A80 E81 L106 S110 S111I79-P108 HydrophobicContact CB-CB 4.05Å; I79-P108 HydrophobicContact CB-CG 4.25Å; I79-P108 HydrophobicContact CG2-CB 3.83Å; A80-P108 WeakPolarHBondContact O-CB 3.18Å; E81-P108 HydrophobicContact CG-CG 4.44Å; L106-P108 VanDerWaalsContact C-N 3.32Å; P108-S110 PolarHBondContact O-N 3.23Å; P108-S110 VanDerWaalsContact O-N 3.16Å; P108-S111 WeakPolarHBondContact O-CB 3.42Å; P108-S111 PolarHBondContact O-N 3.15Å; P108-S111 VanDerWaalsContact O-N 3.08Å; P108-S111 PolarHBondContact O-OG 3.19Å
109L96.4Very high96.4Very high1 Ų144.3 Ų44.31%0.00522%0.222CC..G310 helixtrans-65.1-17.4177.5-63.9175000112.8I79 L83 L93 L106 D107 S111 C112 L115 L118 V139I79-L109 HydrophobicContact CD1-CD1 3.96Å; I79-L109 HydrophobicContact CD1-CD2 3.82Å; I79-L109 HydrophobicContact CD1-CG 3.74Å; I79-L109 HydrophobicContact CG2-CD2 4.36Å; L83-L109 HydrophobicContact CD2-CD2 4.34Å; L93-L109 HydrophobicContact CD2-CD2 3.58Å; L106-L109 HydrophobicContact CB-CD1 4.38Å; L106-L109 HydrophobicContact CD2-CD1 4.24Å; L106-L109 VanDerWaalsContact O-CB 3.31Å; L106-L109 WeakPolarHBondContact O-CB 3.11Å; L106-L109 PolarHBondContact O-N 3.43Å; L106-L109 VanDerWaalsContact O-N 3.09Å; D107-L109 PolarHBondContact O-N 3.36Å; D107-L109 VanDerWaalsContact O-N 3.12Å; L109-S111 PolarHBondContact O-N 3.3Å; L109-C112 PolarHBondContact O-N 3.31Å; L109-C112 VanDerWaalsContact O-N 3.13Å; L109-L115 HydrophobicContact CD2-CD2 4.39Å; L109-L118 HydrophobicContact CD1-CD1 4.34Å; L109-L118 HydrophobicContact CD1-CD2 3.86Å; L109-V139 HydrophobicContact CB-CG2 3.81Å
110S94.2Very high96.4Very high33 Ų3337.6 Ų37.623%0.23120%0.196CC..G310 helixtrans-64.7-18.4173.164.30000113.4D107 P108 C112 R138D107-S110 VanDerWaalsContact O-CB 3.32Å; D107-S110 WeakPolarHBondContact O-CB 3.26Å; D107-S110 PolarHBondContact O-N 2.88Å; D107-S110 PolarHBondContact O-OG 3.11Å; P108-S110 PolarHBondContact O-N 3.23Å; P108-S110 VanDerWaalsContact O-N 3.16Å; S110-C112 VanDerWaalsContact C-N 3.27Å; S110-C112 PolarHBondContact O-N 2.57Å; S110-R138 WeakPolarHBondContact CB-O 3.26Å
111S93.6Very high96.4Very high29 Ų2940 Ų4020%0.20321%0.209CC..G310 helixtrans-73.8-14.8173.468.10000113.7G84 P108 L109 D113G84-S111 PolarHBondContact N-OG 2.92Å; G84-S111 VanDerWaalsContact N-OG 3.12Å; P108-S111 WeakPolarHBondContact O-CB 3.42Å; P108-S111 PolarHBondContact O-N 3.15Å; P108-S111 VanDerWaalsContact O-N 3.08Å; P108-S111 PolarHBondContact O-OG 3.19Å; L109-S111 PolarHBondContact O-N 3.3Å; S111-D113 PolarHBondContact O-N 3.19Å
112C95.8Very high96.4Very high5 Ų542.5 Ų42.53%0.03422%0.215CC..  trans-9381.5-177.2-59.50000111.4L109 S110 K114 L115L109-C112 PolarHBondContact O-N 3.31Å; L109-C112 VanDerWaalsContact O-N 3.13Å; S110-C112 VanDerWaalsContact C-N 3.27Å; S110-C112 PolarHBondContact O-N 2.57Å; C112-K114 PolarHBondContact O-N 3.5Å; C112-K114 VanDerWaalsContact O-N 3.08Å; C112-L115 HydrophobicContact CB-CB 3.89Å; C112-L115 HydrophobicContact CB-CD2 4.42Å; C112-L115 WeakPolarHBondContact O-CB 3.45Å; C112-L115 PolarHBondContact O-N 3.4Å; C112-L115 VanDerWaalsContact O-N 3.12Å
113D93.7Very high96.4Very high134 Ų13438.9 Ų38.972%0.71720%0.196SC*.THydrogen-bonded Turntrans-58.3-27.3-173.7-67.3-31.2000114.7S111 S141S111-D113 PolarHBondContact O-N 3.19Å; D113-S141 WeakPolarHBondContact O-CB 3.33Å; D113-S141 PolarHBondContact O-OG 3.06Å
114K97.2Very high96.5Very high102 Ų10238.6 Ų38.644%0.44320%0.197SC..THydrogen-bonded Turntrans-98.20.3-176.8-61.6-173.4-176.1176.40114.2N89 L90 L91 C112 N116N89-K114 PolarHBondContact OD1-NZ 3.06Å; L90-K114 CarbonylContact O-C 3.53Å; L91-K114 HydrophobicContact CD2-CB 3.96Å; L91-K114 WeakPolarHBondContact CD2-O 3.4Å; C112-K114 PolarHBondContact O-N 3.5Å; C112-K114 VanDerWaalsContact O-N 3.08Å; K114-N116 PolarHBondContact O-N 3.1Å; K114-N116 PolarHBondContact O-ND2 3.13Å
115L98.2Very high96.6Very high0 Ų031 Ų310%016%0.164CC..  trans-64.6110-176.8-172.663.9000110.9L90 L93 L109 C112 V139 S141 L142L90-L115 HydrophobicContact CD2-CD1 4.41Å; L90-L115 HydrophobicContact CG-CD1 4.33Å; L90-L115 WeakPolarHBondContact O-CA 3.33Å; L90-L115 PolarHBondContact O-N 2.92Å; L93-L115 HydrophobicContact CB-CD1 3.77Å; L109-L115 HydrophobicContact CD2-CD2 4.39Å; C112-L115 HydrophobicContact CB-CB 3.89Å; C112-L115 HydrophobicContact CB-CD2 4.42Å; C112-L115 WeakPolarHBondContact O-CB 3.45Å; C112-L115 PolarHBondContact O-N 3.4Å; C112-L115 VanDerWaalsContact O-N 3.12Å; L115-V139 HydrophobicContact CB-CG1 4.22Å; L115-V139 HydrophobicContact CD2-CG1 4.16Å; L115-V139 HydrophobicContact CG-CG1 4.47Å; L115-S141 CarbonylContact O-C 3.58Å; L115-S141 WeakPolarHBondContact O-CB 3.36Å; L115-S141 PolarHBondContact O-OG 3.23Å; L115-S141 VanDerWaalsContact O-OG 3.08Å; L115-L142 HydrophobicContact CG-CD1 4.39Å; L115-L142 PolarHBondContact O-N 3.39Å
116N97.9Very high96.7Very high46 Ų4631.1 Ų31.125%0.24617%0.166CC..  trans-103.8-32.4-175.7-81.3-71.7000112.6L91 K114 S141 R143 F144L91-N116 PolarHBondContact O-N 2.67Å; K114-N116 PolarHBondContact O-N 3.1Å; K114-N116 PolarHBondContact O-ND2 3.13Å; N116-S141 PolarHBondContact OD1-O 3.14Å; N116-R143 WeakPolarHBondContact O-CA 3.49Å; N116-R143 PolarHBondContact O-N 2.99Å; N116-R143 VanDerWaalsContact OD1-CD 3.27Å; N116-R143 WeakPolarHBondContact OD1-CD 3.01Å; N116-R143 WeakPolarHBondContact OD1-CG 3.48Å; N116-R143 PolarHBondContact OD1-NE 3.42Å; N116-F144 PolarHBondContact O-N 3.33Å
117F98.6Very high96.6Very high38 Ų3833.3 Ų33.317%0.16718%0.177CC..EExtended strand (participates in β ladder)trans-125.9125.9-178.2-172.3-74.6000110.5L91 T92 L93 I94 F144 Y147L91-F117 PolarHBondContact O-N 3.45Å; T92-F117 WeakPolarHBondContact CA-O 3.41Å; T92-F117 HydrophobicContact CG2-CB 4.17Å; T92-F117 HydrophobicContact CG2-CD1 3.85Å; T92-F117 HydrophobicContact CG2-CG 4.25Å; L93-F117 PolarHBondContact N-O 3.01Å; I94-F117 HydrophobicContact CG1-CE1 4.43Å; F117-F144 HydrophobicContact CD2-CB 3.48Å; F117-F144 VanDerWaalsContact CD2-CB 3.48Å; F117-F144 HydrophobicContact CD2-CD2 4.33Å; F117-F144 HydrophobicContact CD2-CG 4.08Å; F117-F144 HydrophobicContact CE2-CB 3.87Å; F117-F144 HydrophobicContact CE2-CG 4.45Å; F117-F144 HydrophobicContact CG-CB 4.26Å; F117-Y147 HydrophobicContact CE1-CE1 4.43Å; F117-Y147 HydrophobicContact CE2-CD1 4.22Å; F117-Y147 HydrophobicContact CE2-CE1 4.49Å; F117-Y147 AromaticContact CZ-CD1 3.65Å; F117-Y147 HydrophobicContact CZ-CD1 3.65Å; F117-Y147 HydrophobicContact CZ-CD2 4.38Å; F117-Y147 AromaticContact CZ-CE1 3.63Å; F117-Y147 HydrophobicContact CZ-CE1 3.63Å; F117-Y147 HydrophobicContact CZ-CE2 4.34Å; F117-Y147 HydrophobicContact CZ-CG 4.04Å; F117-Y147 AromaticContact CZ-CZ 3.98Å
118L98.6Very high96.7Very high0 Ų037.7 Ų37.70%019%0.191CC..EExtended strand (participates in β ladder)trans-132.9129.7176.9178.361.5000109.8L93 L95 L109 L120 V135 L142 F144 L145 D146L93-L118 HydrophobicContact CB-CD1 4.12Å; L93-L118 HydrophobicContact CD2-CD1 4.12Å; L93-L118 HydrophobicContact CG-CD1 4.14Å; L93-L118 WeakPolarHBondContact O-CA 3.4Å; L95-L118 HydrophobicContact CD1-CD1 4.42Å; L109-L118 HydrophobicContact CD1-CD1 4.34Å; L109-L118 HydrophobicContact CD1-CD2 3.86Å; L118-L120 HydrophobicContact CD1-CD2 4.44Å; L118-L120 HydrophobicContact CD1-CG 4.19Å; L118-L120 HydrophobicContact CD2-CD1 3.89Å; L118-L120 HydrophobicContact CD2-CG 4.27Å; L118-L120 HydrophobicContact CG-CD1 4.23Å; L118-L120 HydrophobicContact CG-CG 4.07Å; L118-V135 HydrophobicContact CD2-CG1 3.81Å; L118-L142 HydrophobicContact CB-CD1 3.58Å; L118-L142 HydrophobicContact CB-CD2 4.23Å; L118-F144 PolarHBondContact N-O 3.49Å; L118-L145 HydrophobicContact CB-CD1 4.24Å; L118-L145 HydrophobicContact CD2-CD1 4.16Å; L118-L145 HydrophobicContact CG-CD1 4.16Å; L118-L145 WeakPolarHBondContact O-CA 3.41Å; L118-D146 PolarHBondContact O-N 2.96Å
119S98.3Very high96.6Very high0 Ų040.6 Ų40.60%022%0.217CC..EExtended strand (participates in β ladder)trans-116.8121.9168.6-178.70000109.9L93 L95 T96L93-S119 PolarHBondContact O-N 3.18Å; L95-S119 CarbonylContact C-O 3.23Å; L95-S119 WeakPolarHBondContact CA-O 3.31Å; L95-S119 WeakPolarHBondContact CB-O 3.38Å; L95-S119 PolarHBondContact N-O 3.38Å; T96-S119 PolarHBondContact OG1-OG 3.28Å
120L98.1Very high96.5Very high0 Ų044.7 Ų44.70%024%0.239CC..  trans-118.815.5173.1-67.8166.6000111.1L95 L100 L106 L118 C123 T126 Y131 V135 D146L95-L120 HydrophobicContact CB-CD2 4.02Å; L95-L120 HydrophobicContact CD1-CD2 3.95Å; L100-L120 HydrophobicContact CD1-CD2 3.64Å; L106-L120 HydrophobicContact CD1-CD1 3.82Å; L106-L120 HydrophobicContact CD2-CD1 3.99Å; L106-L120 HydrophobicContact CD2-CD2 4.1Å; L118-L120 HydrophobicContact CD1-CD2 4.44Å; L118-L120 HydrophobicContact CD1-CG 4.19Å; L118-L120 HydrophobicContact CD2-CD1 3.89Å; L118-L120 HydrophobicContact CD2-CG 4.27Å; L118-L120 HydrophobicContact CG-CD1 4.23Å; L118-L120 HydrophobicContact CG-CG 4.07Å; L120-C123 WeakPolarHBondContact O-CB 3.42Å; L120-C123 PolarHBondContact O-N 3.06Å; L120-C123 PolarHBondContact O-SG 3.27Å; L120-C123 VanDerWaalsContact O-SG 3.39Å; L120-T126 HydrophobicContact CB-CG2 4.39Å; L120-T126 WeakPolarHBondContact O-CG2 3.41Å; L120-Y131 HydrophobicContact CB-CE2 4.47Å; L120-Y131 HydrophobicContact CD1-CE2 3.77Å; L120-V135 HydrophobicContact CD1-CG2 4.26Å; L120-D146 PolarHBondContact N-OD1 3.21Å
121L97.3Very high96.6Very high50 Ų5044 Ų4426%0.26223%0.231SC..THydrogen-bonded Turntrans-49.3141.9176.9-72179.7000111.4T96 S97 C123 D146 Y147T96-L121 CarbonylContact C-O 3.58Å; T96-L121 VanDerWaalsContact CA-O 3.26Å; T96-L121 WeakPolarHBondContact CA-O 3.49Å; T96-L121 HydrophobicContact CG2-CB 4.05Å; S97-L121 PolarHBondContact N-O 2.77Å; L121-C123 PolarHBondContact O-N 3.41Å; L121-C123 VanDerWaalsContact O-N 3.1Å; L121-D146 HydrophobicContact CD2-CB 3.77Å; L121-D146 HydrophobicContact CG-CB 3.98Å; L121-D146 PolarHBondContact N-OD1 2.99Å; L121-Y147 HydrophobicContact CD1-CD2 3.7Å; L121-Y147 HydrophobicContact CD1-CE2 3.81Å
122H96.5Very high96.8Very high94 Ų9444.7 Ų44.744%0.43523%0.23SC..THydrogen-bonded Turntrans58.416.7-177-49.1-62000115.6Q307H122-Q307 PolarHBondContact ND1-OE1 3.23Å
123C97.5Very high96.8Very high0 Ų045.8 Ų45.80%024%0.235CC..  trans-88.9142.3165.4-63.80000111L95 L100 L120 L121 V125 T126L95-C123 PolarHBondContact O-SG 2.94Å; L100-C123 HydrophobicContact CB-CB 4.44Å; L120-C123 WeakPolarHBondContact O-CB 3.42Å; L120-C123 PolarHBondContact O-N 3.06Å; L120-C123 PolarHBondContact O-SG 3.27Å; L120-C123 VanDerWaalsContact O-SG 3.39Å; L121-C123 PolarHBondContact O-N 3.41Å; L121-C123 VanDerWaalsContact O-N 3.1Å; C123-V125 HydrophobicContact CB-CG1 3.87Å; C123-V125 PolarHBondContact O-N 2.83Å; C123-V125 VanDerWaalsContact O-N 3.08Å; C123-T126 WeakPolarHBondContact O-CB 3.24Å; C123-T126 WeakPolarHBondContact O-CG2 3.2Å; C123-T126 PolarHBondContact O-N 3.45Å; C123-T126 PolarHBondContact O-OG1 3.44Å
124P97.4Very high96.9Very high35 Ų3540 Ų4023%0.22720%0.203CC..G310 helixtrans-55.2-28.3177.2-25.932.6000114.9N98 L100 T126 M127N98-P124 VanDerWaalsContact O-CD 3.31Å; N98-P124 WeakPolarHBondContact O-CD 3.33Å; L100-P124 VanDerWaalsContact O-CD 3.31Å; L100-P124 WeakPolarHBondContact O-CD 3.4Å; P124-T126 PolarHBondContact O-N 3.46Å; P124-M127 HydrophobicContact CB-CE 4.28Å; P124-M127 PolarHBondContact O-N 3.11Å; P124-M127 VanDerWaalsContact O-N 3.15Å
125V97.1Very high96.9Very high0 Ų035.2 Ų35.20%018%0.183CC..G310 helixtrans-59.2-27.6176.9700000113.3L100 L103 L106 C123 M127 R128 Y131L100-V125 HydrophobicContact CB-CG1 4.19Å; L100-V125 WeakPolarHBondContact O-CB 3.5Å; L100-V125 PolarHBondContact O-N 3.12Å; L103-V125 HydrophobicContact CD2-CG2 3.85Å; L106-V125 HydrophobicContact CD1-CG1 4.33Å; L106-V125 HydrophobicContact CD1-CG2 3.83Å; L106-V125 HydrophobicContact CG-CG2 4.39Å; C123-V125 HydrophobicContact CB-CG1 3.87Å; C123-V125 PolarHBondContact O-N 2.83Å; C123-V125 VanDerWaalsContact O-N 3.08Å; V125-M127 PolarHBondContact O-N 3.09Å; V125-R128 HydrophobicContact CG2-CG 4.43Å; V125-R128 VanDerWaalsContact O-CB 3.31Å; V125-R128 WeakPolarHBondContact O-CB 3.49Å; V125-R128 WeakPolarHBondContact O-CG 3.37Å; V125-R128 PolarHBondContact O-N 3Å; V125-Y131 HydrophobicContact CG1-CE2 4.43Å; V125-Y131 HydrophobicContact CG2-CD2 4.34Å
126T96.1Very high96.8Very high40 Ų4035.7 Ų35.725%0.24519%0.185CC..G310 helixtrans-63.6-23.2178.760.40000112.8L120 C123 P124 R128 Y131L120-T126 HydrophobicContact CB-CG2 4.39Å; L120-T126 WeakPolarHBondContact O-CG2 3.41Å; C123-T126 WeakPolarHBondContact O-CB 3.24Å; C123-T126 WeakPolarHBondContact O-CG2 3.2Å; C123-T126 PolarHBondContact O-N 3.45Å; C123-T126 PolarHBondContact O-OG1 3.44Å; P124-T126 PolarHBondContact O-N 3.46Å; T126-R128 VanDerWaalsContact C-N 3.32Å; T126-Y131 HydrophobicContact CG2-CE1 4.09Å; T126-Y131 HydrophobicContact CG2-CE2 4.49Å
127M95.4Very high96.7Very high49 Ų4935 Ų3524%0.24118%0.184CC..G310 helixtrans-82.1-8.8177.7-61-171.5-75.700113.3P124 V125 L308P124-M127 HydrophobicContact CB-CE 4.28Å; P124-M127 PolarHBondContact O-N 3.11Å; P124-M127 VanDerWaalsContact O-N 3.15Å; V125-M127 PolarHBondContact O-N 3.09Å; M127-L308 HydrophobicContact SD-CD1 3.88Å; M127-L308 HydrophobicContact SD-CG 4.35Å
128R96.1Very high96.5Very high116 Ų11634.9 Ų34.944%0.43818%0.182SC..SBendtrans-73.9143.8-179.2-59.1-63.1-173158.49.5110.9S101 D102 L103 V125 T126 N130 Y131S101-R128 PolarHBondContact O-NE 3.28Å; S101-R128 PolarHBondContact O-NH2 2.83Å; D102-R128 IonicContact OD1-CZ 3.73Å; D102-R128 IonicContact OD1-NH2 3.46Å; D102-R128 PolarHBondContact OD1-NH2 3.28Å; L103-R128 HydrophobicContact CD1-CB 4.49Å; L103-R128 HydrophobicContact CD2-CB 4.01Å; L103-R128 HydrophobicContact CG-CB 4.14Å; L103-R128 HydrophobicContact CG-CG 4.49Å; V125-R128 HydrophobicContact CG2-CG 4.43Å; V125-R128 VanDerWaalsContact O-CB 3.31Å; V125-R128 WeakPolarHBondContact O-CB 3.49Å; V125-R128 WeakPolarHBondContact O-CG 3.37Å; V125-R128 PolarHBondContact O-N 3Å; T126-R128 VanDerWaalsContact C-N 3.32Å; R128-N130 PolarHBondContact O-N 3.08Å; R128-Y131 VanDerWaalsContact O-CB 3.27Å; R128-Y131 WeakPolarHBondContact O-CB 3.43Å; R128-Y131 PolarHBondContact O-N 2.75Å
129A94.7Very high96.3Very high80 Ų8035.1 Ų35.166%0.66118%0.184SC*.THydrogen-bonded Turntrans-59.2138.6175.600000110.8Y131A129-Y131 PolarHBondContact O-N 3.29Å; A129-Y131 VanDerWaalsContact O-N 3.1Å
130N94.4Very high96Very high88 Ų8839 Ų3947%0.47122%0.216SC..THydrogen-bonded Turntrans58.716-179.1-53.1-42.9000115.2R128 R132 L133 Y134 F162R128-N130 PolarHBondContact O-N 3.08Å; N130-R132 VanDerWaalsContact C-N 3.33Å; N130-R132 PolarHBondContact O-N 3.3Å; N130-L133 PolarHBondContact O-N 2.79Å; N130-L133 VanDerWaalsContact O-N 3.12Å; N130-Y134 WeakPolarHBondContact O-CB 3.49Å; N130-Y134 PolarHBondContact O-N 3.4Å; N130-F162 HydrophobicContact CB-CZ 4.09Å
131Y96.8Very high95.9Very high18 Ų1840.6 Ų40.67%0.07123%0.227CC..Hα-helixtrans-42.5-57.4177.8149.2-108.7000112.6L106 L120 V125 T126 R128 A129 L133 Y134 V135 L145 D146L106-Y131 HydrophobicContact CD1-CE2 4.44Å; L120-Y131 HydrophobicContact CB-CE2 4.47Å; L120-Y131 HydrophobicContact CD1-CE2 3.77Å; V125-Y131 HydrophobicContact CG1-CE2 4.43Å; V125-Y131 HydrophobicContact CG2-CD2 4.34Å; T126-Y131 HydrophobicContact CG2-CE1 4.09Å; T126-Y131 HydrophobicContact CG2-CE2 4.49Å; R128-Y131 VanDerWaalsContact O-CB 3.27Å; R128-Y131 WeakPolarHBondContact O-CB 3.43Å; R128-Y131 PolarHBondContact O-N 2.75Å; A129-Y131 PolarHBondContact O-N 3.29Å; A129-Y131 VanDerWaalsContact O-N 3.1Å; Y131-L133 VanDerWaalsContact C-N 3.31Å; Y131-L133 PolarHBondContact O-N 3.39Å; Y131-Y134 WeakPolarHBondContact O-CB 3.4Å; Y131-Y134 PolarHBondContact O-N 3.28Å; Y131-Y134 VanDerWaalsContact O-N 3.12Å; Y131-V135 HydrophobicContact CD2-CG2 3.88Å; Y131-V135 HydrophobicContact CE2-CG2 3.55Å; Y131-V135 WeakPolarHBondContact O-CG2 3.25Å; Y131-V135 PolarHBondContact O-N 2.83Å; Y131-L145 WeakPolarHBondContact OH-CD1 3.46Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.46Å; Y131-D146 VanDerWaalsContact OH-CG 3.32Å; Y131-D146 PolarHBondContact OH-OD1 3.4Å; Y131-D146 PolarHBondContact OH-OD2 3.05Å
132R97Very high95.9Very high44 Ų4438.3 Ų38.317%0.16622%0.215CC..Hα-helixtrans-58.2-44.9-175.7-175.2172.2176.376.24.8112N130 I136 L145 R149 E154N130-R132 VanDerWaalsContact C-N 3.33Å; N130-R132 PolarHBondContact O-N 3.3Å; R132-I136 HydrophobicContact CG-CD1 3.94Å; R132-I136 WeakPolarHBondContact O-CD1 3.38Å; R132-I136 WeakPolarHBondContact O-CG1 3.11Å; R132-I136 PolarHBondContact O-N 2.76Å; R132-I136 VanDerWaalsContact O-N 3.11Å; R132-L145 HydrophobicContact CG-CD2 3.95Å; R132-L145 PolarHBondContact NH1-O 2.68Å; R132-L145 VanDerWaalsContact NH1-O 3.09Å; R132-R149 PolarHBondContact NH2-O 3.04Å; R132-E154 IonicContact CZ-OE1 3.19Å; R132-E154 IonicContact NE-OE1 2.67Å; R132-E154 PolarHBondContact NE-OE1 3.1Å; R132-E154 IonicContact NH2-OE1 2.79Å; R132-E154 PolarHBondContact NH2-OE1 2.53Å; R132-E154 IonicContact NH2-OE2 3.88Å
133L96.3Very high95.9Very high27 Ų2741.3 Ų41.314%0.14122%0.222CC..Hα-helixtrans-70.9-35.7-179.9-60.5169.5000111.8N130 Y131 I136 S137 E154 L157 A158 M161 F162N130-L133 PolarHBondContact O-N 2.79Å; N130-L133 VanDerWaalsContact O-N 3.12Å; Y131-L133 VanDerWaalsContact C-N 3.31Å; Y131-L133 PolarHBondContact O-N 3.39Å; L133-I136 PolarHBondContact O-N 3.12Å; L133-S137 WeakPolarHBondContact O-CB 3.46Å; L133-S137 PolarHBondContact O-N 3.02Å; L133-E154 HydrophobicContact CD2-CB 4.36Å; L133-L157 HydrophobicContact CD1-CD2 3.17Å; L133-L157 HydrophobicContact CD2-CD2 3.55Å; L133-L157 HydrophobicContact CG-CD2 3.93Å; L133-A158 HydrophobicContact CB-CB 4.25Å; L133-A158 HydrophobicContact CD2-CB 4.33Å; L133-A158 VanDerWaalsContact O-CB 3.29Å; L133-A158 WeakPolarHBondContact O-CB 3.48Å; L133-M161 HydrophobicContact CD1-SD 3.84Å; L133-F162 HydrophobicContact CB-CE2 3.92Å
134Y96.3Very high96Very high13 Ų1345.4 Ų45.45%0.05124%0.24CC..Hα-helixtrans-60.6-51.7175.9-172.5-88.6000110.2L103 D107 N130 Y131 I136 S137 R138 F162L103-Y134 HydrophobicContact CB-CD1 3.88Å; L103-Y134 HydrophobicContact CB-CD2 4.3Å; L103-Y134 HydrophobicContact CB-CE1 3.84Å; L103-Y134 HydrophobicContact CB-CE2 4.24Å; L103-Y134 HydrophobicContact CB-CG 4.12Å; L103-Y134 HydrophobicContact CD1-CD2 4.07Å; L103-Y134 HydrophobicContact CD1-CG 4.11Å; L103-Y134 HydrophobicContact CD2-CD1 4.16Å; L103-Y134 HydrophobicContact CD2-CG 4.15Å; L103-Y134 HydrophobicContact CG-CD1 4.45Å; L103-Y134 HydrophobicContact CG-CG 4.36Å; L103-Y134 WeakPolarHBondContact O-CE1 3.43Å; D107-Y134 WeakPolarHBondContact OD1-CE1 3.24Å; D107-Y134 PolarHBondContact OD1-OH 2.72Å; D107-Y134 PolarHBondContact OD2-OH 2.79Å; N130-Y134 WeakPolarHBondContact O-CB 3.49Å; N130-Y134 PolarHBondContact O-N 3.4Å; Y131-Y134 WeakPolarHBondContact O-CB 3.4Å; Y131-Y134 PolarHBondContact O-N 3.28Å; Y131-Y134 VanDerWaalsContact O-N 3.12Å; Y134-I136 PolarHBondContact O-N 3.3Å; Y134-S137 WeakPolarHBondContact O-CB 3.41Å; Y134-S137 PolarHBondContact O-N 3.09Å; Y134-S137 PolarHBondContact O-OG 3.2Å; Y134-R138 HydrophobicContact CD1-CG 4.09Å; Y134-R138 HydrophobicContact CE1-CG 3.69Å; Y134-R138 WeakPolarHBondContact O-CG 3.34Å; Y134-R138 PolarHBondContact O-N 3.28Å; Y134-R138 PolarHBondContact OH-NE 2.97Å; Y134-R138 PolarHBondContact OH-NH2 3.43Å; Y134-F162 HydrophobicContact CD2-CD1 4.23Å; Y134-F162 AromaticContact CD2-CE1 3.73Å; Y134-F162 HydrophobicContact CD2-CE1 3.73Å; Y134-F162 AromaticContact CD2-CZ 3.89Å; Y134-F162 HydrophobicContact CD2-CZ 3.89Å; Y134-F162 HydrophobicContact CE2-CE1 4.47Å; Y134-F162 HydrophobicContact CG-CZ 4.45Å
135V96.5Very high96Very high2 Ų243.7 Ų43.71%0.01223%0.23CC..Hα-helixtrans-58.9-46.7177.9177.10000111.4L106 L118 L120 Y131 S137 R138 V139 L142 L145L106-V135 HydrophobicContact CD1-CG2 3.54Å; L118-V135 HydrophobicContact CD2-CG1 3.81Å; L120-V135 HydrophobicContact CD1-CG2 4.26Å; Y131-V135 HydrophobicContact CD2-CG2 3.88Å; Y131-V135 HydrophobicContact CE2-CG2 3.55Å; Y131-V135 WeakPolarHBondContact O-CG2 3.25Å; Y131-V135 PolarHBondContact O-N 2.83Å; V135-S137 PolarHBondContact O-N 2.65Å; V135-R138 PolarHBondContact O-N 2.89Å; V135-R138 VanDerWaalsContact O-N 3.13Å; V135-V139 PolarHBondContact O-N 3.18Å; V135-L142 HydrophobicContact CG1-CD2 3.93Å; V135-L145 HydrophobicContact CB-CD2 3.87Å; V135-L145 HydrophobicContact CG1-CD1 3.97Å; V135-L145 HydrophobicContact CG1-CD2 3.83Å
136I96.4Very high96.1Very high9 Ų944.7 Ų44.75%0.04624%0.235CC..Hα-helixtrans-60.6-33177.2-68.1164.5000111.9R132 L133 Y134 L145 V150 E154 R155 A158R132-I136 HydrophobicContact CG-CD1 3.94Å; R132-I136 WeakPolarHBondContact O-CD1 3.38Å; R132-I136 WeakPolarHBondContact O-CG1 3.11Å; R132-I136 PolarHBondContact O-N 2.76Å; R132-I136 VanDerWaalsContact O-N 3.11Å; L133-I136 PolarHBondContact O-N 3.12Å; Y134-I136 PolarHBondContact O-N 3.3Å; I136-L145 HydrophobicContact CG1-CD2 4.34Å; I136-V150 HydrophobicContact CD1-CG1 3.87Å; I136-V150 HydrophobicContact CD1-CG2 4.21Å; I136-V150 HydrophobicContact CG1-CG1 3.89Å; I136-V150 HydrophobicContact CG1-CG2 4.05Å; I136-V150 HydrophobicContact CG2-CG1 3.95Å; I136-E154 HydrophobicContact CD1-CB 4.03Å; I136-R155 HydrophobicContact CG2-CB 4.4Å; I136-R155 HydrophobicContact CG2-CG 3.72Å; I136-A158 HydrophobicContact CB-CB 4.19Å; I136-A158 HydrophobicContact CG2-CB 3.9Å
137S94.9Very high96.1Very high33 Ų3349.3 Ų49.323%0.23125%0.249CC..Hα-helixtrans-73.5-32.2177.378.40000113.2L133 Y134 V135 F162L133-S137 WeakPolarHBondContact O-CB 3.46Å; L133-S137 PolarHBondContact O-N 3.02Å; Y134-S137 WeakPolarHBondContact O-CB 3.41Å; Y134-S137 PolarHBondContact O-N 3.09Å; Y134-S137 PolarHBondContact O-OG 3.2Å; V135-S137 PolarHBondContact O-N 2.65Å; S137-F162 WeakPolarHBondContact OG-CD2 3.49Å
138R93.9Very high96.2Very high34 Ų3452.9 Ų52.913%0.12826%0.259CS..Hα-helixtrans-84.5-40.3-178.6-66.3-48.7-166.5174.913.2113D107 S110 Y134 V135 P166D107-R138 IonicContact OD1-CZ 2.65Å; D107-R138 IonicContact OD1-NE 3.26Å; D107-R138 PolarHBondContact OD1-NE 3.21Å; D107-R138 IonicContact OD1-NH2 2.75Å; S110-R138 WeakPolarHBondContact CB-O 3.26Å; Y134-R138 HydrophobicContact CD1-CG 4.09Å; Y134-R138 HydrophobicContact CE1-CG 3.69Å; Y134-R138 WeakPolarHBondContact O-CG 3.34Å; Y134-R138 PolarHBondContact O-N 3.28Å; Y134-R138 PolarHBondContact OH-NE 2.97Å; Y134-R138 PolarHBondContact OH-NH2 3.43Å; V135-R138 PolarHBondContact O-N 2.89Å; V135-R138 VanDerWaalsContact O-N 3.13Å; R138-P166 PolarHBondContact NH1-O 3Å
139V94.9Very high96.3Very high5 Ų555.7 Ų55.73%0.0327%0.27CS..  trans-109.883.1-178.3-169.90000108.8L109 L115 V135 S141 L142L109-V139 HydrophobicContact CB-CG2 3.81Å; L115-V139 HydrophobicContact CB-CG1 4.22Å; L115-V139 HydrophobicContact CD2-CG1 4.16Å; L115-V139 HydrophobicContact CG-CG1 4.47Å; V135-V139 PolarHBondContact O-N 3.18Å; V139-S141 PolarHBondContact O-N 2.95Å; V139-L142 HydrophobicContact CB-CB 4.27Å; V139-L142 HydrophobicContact CG1-CB 4Å; V139-L142 HydrophobicContact CG1-CD1 4.4Å; V139-L142 VanDerWaalsContact O-CB 3.27Å; V139-L142 WeakPolarHBondContact O-CB 3.23Å; V139-L142 PolarHBondContact O-N 2.84Å
140A92.6Very high96.5Very high81 Ų8152.2 Ų52.267%0.66924%0.241SC*.THydrogen-bonded Turntrans-66.4-24.9-174.100000113.8L142A140-L142 VanDerWaalsContact C-N 3.25Å; A140-L142 PolarHBondContact O-N 3.5Å
141S95.6Very high96.6Very high35 Ų3550.4 Ų50.425%0.24523%0.233CC..THydrogen-bonded Turntrans-71.5-16.5177.245.40000113.7D113 L115 N116 V139 R143D113-S141 WeakPolarHBondContact O-CB 3.33Å; D113-S141 PolarHBondContact O-OG 3.06Å; L115-S141 CarbonylContact O-C 3.58Å; L115-S141 WeakPolarHBondContact O-CB 3.36Å; L115-S141 PolarHBondContact O-OG 3.23Å; L115-S141 VanDerWaalsContact O-OG 3.08Å; N116-S141 PolarHBondContact OD1-O 3.14Å; V139-S141 PolarHBondContact O-N 2.95Å; S141-R143 PolarHBondContact O-N 2.88Å
142L97.3Very high96.6Very high1 Ų155 Ų551%0.00526%0.255CS..  trans-64.1129.1-171.1-158.969.3000112.6L115 L118 V135 V139 A140 F144 L145 R155L115-L142 HydrophobicContact CG-CD1 4.39Å; L115-L142 PolarHBondContact O-N 3.39Å; L118-L142 HydrophobicContact CB-CD1 3.58Å; L118-L142 HydrophobicContact CB-CD2 4.23Å; V135-L142 HydrophobicContact CG1-CD2 3.93Å; V139-L142 HydrophobicContact CB-CB 4.27Å; V139-L142 HydrophobicContact CG1-CB 4Å; V139-L142 HydrophobicContact CG1-CD1 4.4Å; V139-L142 VanDerWaalsContact O-CB 3.27Å; V139-L142 WeakPolarHBondContact O-CB 3.23Å; V139-L142 PolarHBondContact O-N 2.84Å; A140-L142 VanDerWaalsContact C-N 3.25Å; A140-L142 PolarHBondContact O-N 3.5Å; L142-F144 WeakPolarHBondContact CD1-O 3.24Å; L142-F144 WeakPolarHBondContact CG-O 3.35Å; L142-L145 HydrophobicContact CD2-CB 3.76Å; L142-L145 HydrophobicContact CD2-CD1 4.08Å; L142-L145 HydrophobicContact CD2-CD2 4.34Å; L142-L145 HydrophobicContact CD2-CG 4.29Å; L142-R155 PolarHBondContact O-NH2 3.12Å
143R97.7Very high96.6Very high157 Ų15756.4 Ų56.459%0.59228%0.275SS*.SBendtrans-103.5-36.5176.2-67.4-175.8177.9-165.2-2.5112.1N116 S141 V150N116-R143 WeakPolarHBondContact O-CA 3.49Å; N116-R143 PolarHBondContact O-N 2.99Å; N116-R143 VanDerWaalsContact OD1-CD 3.27Å; N116-R143 WeakPolarHBondContact OD1-CD 3.01Å; N116-R143 WeakPolarHBondContact OD1-CG 3.48Å; N116-R143 PolarHBondContact OD1-NE 3.42Å; S141-R143 PolarHBondContact O-N 2.88Å; R143-V150 PolarHBondContact O-N 2.89Å
144F98.5Very high96.6Very high86 Ų8657.1 Ų57.138%0.37728%0.278SS..EExtended strand (participates in β ladder)trans-130.8129.7180-64.8-86.8000110.1N116 F117 L118 L142 R149N116-F144 PolarHBondContact O-N 3.33Å; F117-F144 HydrophobicContact CD2-CB 3.48Å; F117-F144 VanDerWaalsContact CD2-CB 3.48Å; F117-F144 HydrophobicContact CD2-CD2 4.33Å; F117-F144 HydrophobicContact CD2-CG 4.08Å; F117-F144 HydrophobicContact CE2-CB 3.87Å; F117-F144 HydrophobicContact CE2-CG 4.45Å; F117-F144 HydrophobicContact CG-CB 4.26Å; L118-F144 PolarHBondContact N-O 3.49Å; L142-F144 WeakPolarHBondContact CD1-O 3.24Å; L142-F144 WeakPolarHBondContact CG-O 3.35Å; F144-R149 HydrophobicContact CD1-CB 4.23Å; F144-R149 HydrophobicContact CE1-CB 4Å; F144-R149 HydrophobicContact CE1-CG 4.21Å
145L98.3Very high96.6Very high0 Ų058.8 Ų58.80%028%0.284CS..EExtended strand (participates in β ladder)trans-126.8120.7174.2178.356.2000108.2L118 Y131 R132 V135 I136 L142 Y147 R148 V150L118-L145 HydrophobicContact CB-CD1 4.24Å; L118-L145 HydrophobicContact CD2-CD1 4.16Å; L118-L145 HydrophobicContact CG-CD1 4.16Å; L118-L145 WeakPolarHBondContact O-CA 3.41Å; Y131-L145 WeakPolarHBondContact OH-CD1 3.46Å; R132-L145 HydrophobicContact CG-CD2 3.95Å; R132-L145 PolarHBondContact NH1-O 2.68Å; R132-L145 VanDerWaalsContact NH1-O 3.09Å; V135-L145 HydrophobicContact CB-CD2 3.87Å; V135-L145 HydrophobicContact CG1-CD1 3.97Å; V135-L145 HydrophobicContact CG1-CD2 3.83Å; I136-L145 HydrophobicContact CG1-CD2 4.34Å; L142-L145 HydrophobicContact CD2-CB 3.76Å; L142-L145 HydrophobicContact CD2-CD1 4.08Å; L142-L145 HydrophobicContact CD2-CD2 4.34Å; L142-L145 HydrophobicContact CD2-CG 4.29Å; L145-Y147 VanDerWaalsContact C-N 3.33Å; L145-Y147 PolarHBondContact O-N 2.77Å; L145-R148 PolarHBondContact N-O 3.03Å; L145-R148 WeakPolarHBondContact O-CB 3.35Å; L145-R148 PolarHBondContact O-N 2.91Å; L145-V150 HydrophobicContact CB-CG2 4.12Å
146D97.7Very high96.6Very high20 Ų2065.5 Ų65.511%0.10731%0.314CS..THydrogen-bonded Turntrans53.350.1-178.2-54.9-40.7000111.7L118 L120 L121 Y131 R148L118-D146 PolarHBondContact O-N 2.96Å; L120-D146 PolarHBondContact N-OD1 3.21Å; L121-D146 HydrophobicContact CD2-CB 3.77Å; L121-D146 HydrophobicContact CG-CB 3.98Å; L121-D146 PolarHBondContact N-OD1 2.99Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.46Å; Y131-D146 VanDerWaalsContact OH-CG 3.32Å; Y131-D146 PolarHBondContact OH-OD1 3.4Å; Y131-D146 PolarHBondContact OH-OD2 3.05Å; D146-R148 PolarHBondContact O-N 3.43Å
147Y97Very high96.5Very high137 Ų13768.5 Ų68.554%0.53733%0.329SS..THydrogen-bonded Turntrans606.8-177.3-56.9-95.1000115.1F117 L121 L145F117-Y147 HydrophobicContact CE1-CE1 4.43Å; F117-Y147 HydrophobicContact CE2-CD1 4.22Å; F117-Y147 HydrophobicContact CE2-CE1 4.49Å; F117-Y147 AromaticContact CZ-CD1 3.65Å; F117-Y147 HydrophobicContact CZ-CD1 3.65Å; F117-Y147 HydrophobicContact CZ-CD2 4.38Å; F117-Y147 AromaticContact CZ-CE1 3.63Å; F117-Y147 HydrophobicContact CZ-CE1 3.63Å; F117-Y147 HydrophobicContact CZ-CE2 4.34Å; F117-Y147 HydrophobicContact CZ-CG 4.04Å; F117-Y147 AromaticContact CZ-CZ 3.98Å; L121-Y147 HydrophobicContact CD1-CD2 3.7Å; L121-Y147 HydrophobicContact CD1-CE2 3.81Å; L145-Y147 VanDerWaalsContact C-N 3.33Å; L145-Y147 PolarHBondContact O-N 2.77Å
148R97.5Very high96.5Very high124 Ų12467 Ų6747%0.46832%0.319SS..EExtended strand (participates in β ladder)trans-106.7131.2176.2-63.8-179.970.1172.43.7111L145 D146 V150 D300L145-R148 PolarHBondContact N-O 3.03Å; L145-R148 WeakPolarHBondContact O-CB 3.35Å; L145-R148 PolarHBondContact O-N 2.91Å; D146-R148 PolarHBondContact O-N 3.43Å; R148-V150 PolarHBondContact O-N 3.45Å; R148-D300 IonicContact CZ-OD2 3.3Å; R148-D300 IonicContact NH1-OD1 3.98Å; R148-D300 PolarHBondContact NH1-OD1 2.91Å; R148-D300 IonicContact NH1-OD2 2.72Å; R148-D300 PolarHBondContact NH1-OD2 2.84Å; R148-D300 IonicContact NH2-OD2 2.97Å
149R98Very high96.4Very high176 Ų17671.6 Ų71.666%0.66434%0.336SS*.EExtended strand (participates in β ladder)trans-60.9133.2177-166.9177.779.7132.3-2.4110.9R132 F144R132-R149 PolarHBondContact NH2-O 3.04Å; F144-R149 HydrophobicContact CD1-CB 4.23Å; F144-R149 HydrophobicContact CE1-CB 4Å; F144-R149 HydrophobicContact CE1-CG 4.21Å
150V98Very high96.3Very high7 Ų774.7 Ų74.74%0.04236%0.358CS..PPolyproline II helixtrans-78.8119.5172.3176.70000109.3I136 R143 L145 R148 R155I136-V150 HydrophobicContact CD1-CG1 3.87Å; I136-V150 HydrophobicContact CD1-CG2 4.21Å; I136-V150 HydrophobicContact CG1-CG1 3.89Å; I136-V150 HydrophobicContact CG1-CG2 4.05Å; I136-V150 HydrophobicContact CG2-CG1 3.95Å; R143-V150 PolarHBondContact O-N 2.89Å; L145-V150 HydrophobicContact CB-CG2 4.12Å; R148-V150 PolarHBondContact O-N 3.45Å; V150-R155 HydrophobicContact CG1-CG 3.79Å
151T97.8Very high96.2Very high49 Ų4975.7 Ų75.730%0.30135%0.35SS..PPolyproline II helixtrans-89.7158.8-178.767.90000112.3A153 E154 R155T151-A153 VanDerWaalsContact C-N 3.28Å; T151-A153 PolarHBondContact O-N 3.31Å; T151-E154 WeakPolarHBondContact CB-OE2 3.06Å; T151-E154 PolarHBondContact N-OE2 3.29Å; T151-E154 PolarHBondContact O-N 2.92Å; T151-E154 VanDerWaalsContact OG1-CG 3.26Å; T151-E154 WeakPolarHBondContact OG1-CG 3.49Å; T151-E154 PolarHBondContact OG1-N 3.36Å; T151-E154 PolarHBondContact OG1-OE2 3.28Å; T151-R155 PolarHBondContact O-N 2.95Å; T151-R155 VanDerWaalsContact O-N 3.09Å
152Q96.4Very high95.9Very high116 Ų11675.7 Ų75.754%0.54235%0.346SS..Hα-helixtrans-67.7-28.2176.5-65.1-67.819.400113R155 K156Q152-R155 PolarHBondContact O-N 2.7Å; Q152-K156 WeakPolarHBondContact O-CG 3.42Å; Q152-K156 PolarHBondContact O-N 3.09Å
153A97Very high94.7Very high72 Ų7283.8 Ų83.860%0.59538%0.381SS*.Hα-helixtrans-64.7-48.1174.700000110.9T151 R155 K156 L157T151-A153 VanDerWaalsContact C-N 3.28Å; T151-A153 PolarHBondContact O-N 3.31Å; A153-R155 VanDerWaalsContact C-N 3.32Å; A153-R155 PolarHBondContact O-N 2.88Å; A153-K156 PolarHBondContact O-N 2.93Å; A153-L157 WeakPolarHBondContact O-CB 3.3Å; A153-L157 PolarHBondContact O-N 3.08Å
154E97Very high92.9Very high42 Ų4287.8 Ų87.820%0.19640%0.396CS..Hα-helixtrans-59.5-42.7174.4-69.9165.9123.100111.4R132 L133 I136 T151 K156 L157 A158R132-E154 IonicContact CZ-OE1 3.19Å; R132-E154 IonicContact NE-OE1 2.67Å; R132-E154 PolarHBondContact NE-OE1 3.1Å; R132-E154 IonicContact NH2-OE1 2.79Å; R132-E154 PolarHBondContact NH2-OE1 2.53Å; R132-E154 IonicContact NH2-OE2 3.88Å; L133-E154 HydrophobicContact CD2-CB 4.36Å; I136-E154 HydrophobicContact CD1-CB 4.03Å; T151-E154 WeakPolarHBondContact CB-OE2 3.06Å; T151-E154 PolarHBondContact N-OE2 3.29Å; T151-E154 PolarHBondContact O-N 2.92Å; T151-E154 VanDerWaalsContact OG1-CG 3.26Å; T151-E154 WeakPolarHBondContact OG1-CG 3.49Å; T151-E154 PolarHBondContact OG1-N 3.36Å; T151-E154 PolarHBondContact OG1-OE2 3.28Å; E154-K156 PolarHBondContact O-N 2.65Å; E154-L157 PolarHBondContact O-N 3.16Å; E154-A158 VanDerWaalsContact O-CB 3.23Å; E154-A158 WeakPolarHBondContact O-CB 3.38Å; E154-A158 PolarHBondContact O-N 3.47Å
155R96.1Very high91.1Very high49 Ų4987.1 Ų87.119%0.18540%0.396CS..Hα-helixtrans-61.4-41.6176.2-71.5-174.4-174.5142.1-3.8112.9I136 L142 V150 T151 Q152 A153 L157 R159I136-R155 HydrophobicContact CG2-CB 4.4Å; I136-R155 HydrophobicContact CG2-CG 3.72Å; L142-R155 PolarHBondContact O-NH2 3.12Å; V150-R155 HydrophobicContact CG1-CG 3.79Å; T151-R155 PolarHBondContact O-N 2.95Å; T151-R155 VanDerWaalsContact O-N 3.09Å; Q152-R155 PolarHBondContact O-N 2.7Å; A153-R155 VanDerWaalsContact C-N 3.32Å; A153-R155 PolarHBondContact O-N 2.88Å; R155-L157 VanDerWaalsContact C-N 3.34Å; R155-R159 WeakPolarHBondContact O-CB 3.37Å; R155-R159 VanDerWaalsContact O-CG 3.32Å; R155-R159 WeakPolarHBondContact O-CG 3.17Å; R155-R159 PolarHBondContact O-N 2.92Å
156K95.5Very high89.3Confident143 Ų14391.8 Ų91.862%0.62243%0.426SS*.Hα-helixtrans-63.1-42.5176.2-74.5177-178.3-177.20111.1Q152 A153 E154 S160Q152-K156 WeakPolarHBondContact O-CG 3.42Å; Q152-K156 PolarHBondContact O-N 3.09Å; A153-K156 PolarHBondContact O-N 2.93Å; E154-K156 PolarHBondContact O-N 2.65Å; K156-S160 PolarHBondContact O-N 3.12Å
157L95.2Very high87.2Confident72 Ų7294.6 Ų94.638%0.37745%0.452SS..Hα-helixtrans-71-43.4-179.8-172.4149.4000112.3L133 A153 E154 R155 R159 S160 M161L133-L157 HydrophobicContact CD1-CD2 3.17Å; L133-L157 HydrophobicContact CD2-CD2 3.55Å; L133-L157 HydrophobicContact CG-CD2 3.93Å; A153-L157 WeakPolarHBondContact O-CB 3.3Å; A153-L157 PolarHBondContact O-N 3.08Å; E154-L157 PolarHBondContact O-N 3.16Å; R155-L157 VanDerWaalsContact C-N 3.34Å; L157-R159 VanDerWaalsContact C-N 3.33Å; L157-R159 PolarHBondContact O-N 3.27Å; L157-S160 WeakPolarHBondContact CA-OG 3.4Å; L157-S160 PolarHBondContact O-N 3.08Å; L157-S160 VanDerWaalsContact O-N 3.16Å; L157-S160 PolarHBondContact O-OG 3.43Å; L157-M161 HydrophobicContact CD2-CE 3.73Å; L157-M161 HydrophobicContact CD2-CG 4.25Å; L157-M161 HydrophobicContact CD2-SD 3.69Å; L157-M161 HydrophobicContact CG-CE 4.3Å; L157-M161 WeakPolarHBondContact O-CG 3.36Å; L157-M161 PolarHBondContact O-N 3.44Å
158A95.3Very high85.1Confident1 Ų192.8 Ų92.81%0.00845%0.451CS..Hα-helixtrans-58-46.617300000110.8L133 I136 E154 S160 M161 F162L133-A158 HydrophobicContact CB-CB 4.25Å; L133-A158 HydrophobicContact CD2-CB 4.33Å; L133-A158 VanDerWaalsContact O-CB 3.29Å; L133-A158 WeakPolarHBondContact O-CB 3.48Å; I136-A158 HydrophobicContact CB-CB 4.19Å; I136-A158 HydrophobicContact CG2-CB 3.9Å; E154-A158 VanDerWaalsContact O-CB 3.23Å; E154-A158 WeakPolarHBondContact O-CB 3.38Å; E154-A158 PolarHBondContact O-N 3.47Å; A158-S160 PolarHBondContact O-N 3.13Å; A158-M161 PolarHBondContact O-N 3.27Å; A158-F162 VanDerWaalsContact O-CD2 3.28Å; A158-F162 WeakPolarHBondContact O-CD2 3.27Å; A158-F162 PolarHBondContact O-N 3.43Å
159R92Very high82.7Confident131 Ų13191.4 Ų91.449%0.49446%0.461SS..Hα-helixtrans-58.8-46.8173.5-76.7-171.8-62.8-97.81111.4R155 L157 M161 F162 K163R155-R159 WeakPolarHBondContact O-CB 3.37Å; R155-R159 VanDerWaalsContact O-CG 3.32Å; R155-R159 WeakPolarHBondContact O-CG 3.17Å; R155-R159 PolarHBondContact O-N 2.92Å; L157-R159 VanDerWaalsContact C-N 3.33Å; L157-R159 PolarHBondContact O-N 3.27Å; R159-M161 PolarHBondContact O-N 3.08Å; R159-F162 PolarHBondContact O-N 3.38Å; R159-K163 WeakPolarHBondContact O-CG 3.26Å; R159-K163 PolarHBondContact O-N 3.4Å
160S91.9Very high80Confident70 Ų7087.4 Ų87.449%0.4945%0.453SS..Hα-helixtrans-64.5-38.7-178.168.30000113.5K156 L157 A158K156-S160 PolarHBondContact O-N 3.12Å; L157-S160 WeakPolarHBondContact CA-OG 3.4Å; L157-S160 PolarHBondContact O-N 3.08Å; L157-S160 VanDerWaalsContact O-N 3.16Å; L157-S160 PolarHBondContact O-OG 3.43Å; A158-S160 PolarHBondContact O-N 3.13Å
161M90.6Very high77.1Confident102 Ų10291.5 Ų91.550%0.50248%0.482SS..Hα-helixtrans-71.3-39.6178.9-71.9-169.8169.600112.7L133 L157 A158 R159L133-M161 HydrophobicContact CD1-SD 3.84Å; L157-M161 HydrophobicContact CD2-CE 3.73Å; L157-M161 HydrophobicContact CD2-CG 4.25Å; L157-M161 HydrophobicContact CD2-SD 3.69Å; L157-M161 HydrophobicContact CG-CE 4.3Å; L157-M161 WeakPolarHBondContact O-CG 3.36Å; L157-M161 PolarHBondContact O-N 3.44Å; A158-M161 PolarHBondContact O-N 3.27Å; R159-M161 PolarHBondContact O-N 3.08Å
162F88.6Confident74.5Confident35 Ų3595.6 Ų95.615%0.15451%0.506CS..Hα-helixtrans-107.213.5-171.7-58.3-67.9000114.3N130 L133 Y134 S137 A158 R159 R164 L165N130-F162 HydrophobicContact CB-CZ 4.09Å; L133-F162 HydrophobicContact CB-CE2 3.92Å; Y134-F162 HydrophobicContact CD2-CD1 4.23Å; Y134-F162 AromaticContact CD2-CE1 3.73Å; Y134-F162 HydrophobicContact CD2-CE1 3.73Å; Y134-F162 AromaticContact CD2-CZ 3.89Å; Y134-F162 HydrophobicContact CD2-CZ 3.89Å; Y134-F162 HydrophobicContact CE2-CE1 4.47Å; Y134-F162 HydrophobicContact CG-CZ 4.45Å; S137-F162 WeakPolarHBondContact OG-CD2 3.49Å; A158-F162 VanDerWaalsContact O-CD2 3.28Å; A158-F162 WeakPolarHBondContact O-CD2 3.27Å; A158-F162 PolarHBondContact O-N 3.43Å; R159-F162 PolarHBondContact O-N 3.38Å; F162-R164 PolarHBondContact O-N 3.39Å; F162-L165 HydrophobicContact CB-CD1 3.83Å; F162-L165 HydrophobicContact CD1-CD1 3.56Å; F162-L165 HydrophobicContact CG-CD1 4.16Å; F162-L165 PolarHBondContact O-N 3.02Å
163K71.9Confident71.8Confident170 Ų17096.5 Ų96.574%0.73952%0.515SS*.THydrogen-bonded Turntrans-48.3-26.8179.6-69.5-163.8176174.70115R159R159-K163 WeakPolarHBondContact O-CG 3.26Å; R159-K163 PolarHBondContact O-N 3.4Å
164R60.6Low69Low242 Ų242100.8 Ų100.891%0.91353%0.527SS*.THydrogen-bonded Turntrans-91.9-6.7-176-64.8-174-174.1160.81.6114.2F162 P166F162-R164 PolarHBondContact O-N 3.39Å; R164-P166 WeakPolarHBondContact O-CD 3.43Å
165L61.4Low66.3Low72 Ų72107.4 Ų107.438%0.37756%0.563SS.*SBendtrans-84.9119.7172.2-70.8109.4000107.9F162 A167F162-L165 HydrophobicContact CB-CD1 3.83Å; F162-L165 HydrophobicContact CD1-CD1 3.56Å; F162-L165 HydrophobicContact CG-CD1 4.16Å; F162-L165 PolarHBondContact O-N 3.02Å; L165-A167 PolarHBondContact O-N 3.06Å
166P59.1Low63.6Low97 Ų97114.8 Ų114.863%0.6360%0.597SS**PPolyproline II helixtrans-54.3136170.721.8-29.5000108R138 R164 L168R138-P166 PolarHBondContact NH1-O 3Å; R164-P166 WeakPolarHBondContact O-CD 3.43Å; P166-L168 PolarHBondContact O-N 2.9Å
167A55.1Low61Low80 Ų80112.4 Ų112.466%0.66160%0.603SS**PPolyproline II helixtrans-56.4122.4158.500000105.2L165 S169L165-A167 PolarHBondContact O-N 3.06Å; A167-S169 PolarHBondContact O-N 2.93Å
168L51.6Low58.4Low98 Ų98114.9 Ų114.951%0.51362%0.624SS.*  trans-74.865.8178-146.782.8000107.1P166 N170P166-L168 PolarHBondContact O-N 2.9Å; L168-N170 PolarHBondContact O-N 2.95Å
169S47.5Very low55.4Low96 Ų96125.7 Ų125.767%0.67167%0.666SS**  trans-75.711717268.30000107A167 S171A167-S169 PolarHBondContact O-N 2.93Å; S169-S171 VanDerWaalsContact C-N 3.33Å; S169-S171 PolarHBondContact O-N 2.99Å
170N41.7Very low53.1Low92 Ų92128.6 Ų128.649%0.49269%0.686SS.*  trans-55.994.9169.5-70.2-29.6000109.8L168L168-N170 PolarHBondContact O-N 2.95Å
171S37.6Very low50.7Low93 Ų93134.9 Ų134.965%0.6570%0.704SS**  trans-136.774.6158.3-155.70000107.5S169 N173S169-S171 VanDerWaalsContact C-N 3.33Å; S169-S171 PolarHBondContact O-N 2.99Å; S171-N173 PolarHBondContact O-N 2.82Å
172V41.9Very low48.2Very low135 Ų135134.6 Ų134.682%0.81872%0.718SS**  trans-71.574160.7-168.80000105.8
173N41.1Very low45.9Very low135 Ų135140.9 Ų140.972%0.72275%0.753SS**SBendtrans-179.373.1169-85.2-26000109.4S171S171-N173 PolarHBondContact O-N 2.82Å
174N36.8Very low44.6Very low161 Ų161137.3 Ų137.386%0.86175%0.749SS**  trans154.371150.1-81.6-29.2000112.2K176N174-K176 PolarHBondContact O-N 2.85Å
175L41.7Very low43.7Very low182 Ų182133.4 Ų133.495%0.95375%0.747SS**  trans-90.384.7157.6-77.6158.9000108.4
176K39.5Very low42.6Very low204 Ų204140.1 Ų140.189%0.88777%0.767SS**  trans-131.589.6156.1-85.2-172.5179.3177.80107.9N174N174-K176 PolarHBondContact O-N 2.85Å
177A39.3Very low41.9Very low92 Ų92141.9 Ų141.976%0.7677%0.769SS**  trans-115.4124.3159.800000107.6
178P40.6Very low41.2Very low125 Ų125146.4 Ų146.481%0.81278%0.777SS**  trans-81136.8-179.430.5-30.3000111.5
179Y32.8Very low40.6Very low228 Ų228148.9 Ų148.989%0.89479%0.791SS**  trans-60.9130.6165.5-105.1-103.1000110.9
180Q44.8Very low40.4Very low192 Ų192149.5 Ų149.590%0.89780%0.795SS**  trans-125128.9152.6-77.5-1701800110
181K41.5Very low40.5Very low202 Ų202153.2 Ų153.288%0.87881%0.813SS**  trans-67.6136.4-176.4-75.3173.5171.8176.40111.4
182A36.3Very low40.6Very low96 Ų96154.5 Ų154.579%0.79382%0.819SS**  trans-70.4137.8158.200000109.7
183N40.8Very low40.6Very low167 Ų167153.1 Ų153.189%0.89382%0.822SS**  trans-139126.9157.5-138.810.9000109.9
184S44.9Very low40.7Very low94 Ų94152 Ų15266%0.65783%0.831SS**  trans-77.9166-177.1-55.90000112.5
185N42.2Very low41Very low160 Ų160148 Ų14886%0.85683%0.828SS**  trans114.9140.3164.9-58.5-19.2000111.5
186R37.1Very low41.2Very low214 Ų214145.8 Ų145.881%0.80882%0.822SS**  cis-177.9124.3-16.2176.1177.4173.5167.6-4.3102.8
187I45.5Very low41.3Very low133 Ų133142.3 Ų142.368%0.68282%0.817SS**  trans36.8117.7146.8-36168.2000118.5
188E40.1Very low41.5Very low176 Ų176147.3 Ų147.382%0.82282%0.822SS**  163.6129.7111.7-83.3-169.5-175.700114
189N38.9Very low42.3Very low150 Ų150147.3 Ų147.380%0.80282%0.82SS**  trans5.1146.8157.5-67.4-25000124.6
190S42.6Very low42.8Very low108 Ų108145.6 Ų145.676%0.75582%0.817SS**  trans106.4100.3140.4730000120.1
191I43.9Very low42.8Very low170 Ų170144.1 Ų144.187%0.87281%0.814SS**  51.4139.6129.2-55.6175.6000120.6
192P40.4Very low43.2Very low121 Ų121140.2 Ų140.279%0.78681%0.809SS**  trans-111.7163.4-151.540.3-27.8000116.1
193A42.2Very low43.9Very low105 Ų105139.5 Ų139.587%0.86881%0.811SS**  trans-158.5157159.100000112.1
194A43.7Very low44.3Very low111 Ų111136.2 Ų136.292%0.91781%0.808SS**  trans-61.5159.7-164.800000118
195G43.1Very low45.2Very low77 Ų77137.1 Ų137.179%0.79481%0.811SS**  trans164.9100.2162.700000114.4
196V44.4Very low45.4Very low136 Ų136137.6 Ų137.682%0.82481%0.812SS**  trans-73.5129.2171.3168.60000110.1
197V42.3Very low45.6Very low131 Ų131134.3 Ų134.379%0.79481%0.81SS**  trans-141.3123.4159.4-177.50000109.5
198K42.9Very low45.6Very low197 Ų197132.6 Ų132.686%0.85781%0.81SS**  trans-100.1137168.7-74.8176.5176.6173.80108.9
199T57.6Low45.6Very low125 Ų125130.8 Ų130.877%0.76781%0.806SS**  trans-154.398.7166.5-10.40000107.4
200F42.9Very low45.8Very low192 Ų192130.7 Ų130.784%0.84281%0.806SS**  80.5116.398.6-127.6-88000114.7
201I46.3Very low45.7Very low161 Ų161134 Ų13483%0.82681%0.814SS**  trans-110.7127.3172.6-57.7172.4000107.8
202P49.3Very low46.1Very low120 Ų120133.5 Ų133.578%0.77981%0.812SS**  trans-93.9135169.3-5.524.7000112.3
203G50.8Low46.9Very low81 Ų81132.8 Ų132.884%0.83581%0.807SS**  trans158.410.5162.100000123.1
204A49.9Very low47.3Very low99 Ų99133.6 Ų133.682%0.81880%0.804SS**  trans-117.8131.8176.400000113.3
205P62.3Low47.3Very low112 Ų112131.6 Ų131.673%0.72779%0.794SS**  trans-103.7116.6157.232.3-21.4000110.4
206I46.5Very low47.5Very low170 Ų170135 Ų13587%0.87280%0.8SS**  87.2126.991.8-63.4160.3000114.1
207N42.7Very low47.5Very low145 Ų145137.4 Ų137.478%0.77580%0.802SS**  trans-75.8158.4-167.9-166.614.1000114.5
208S44.5Very low47.6Very low97 Ų97136.2 Ų136.268%0.67880%0.797SS**  trans-171.2122.5132.948.50000113.7
209N41.4Very low47.6Very low139 Ų139133.6 Ų133.674%0.74380%0.797SS**  trans94.695.3141.3-59.4-10.9000120.2
210N42.6Very low46.8Very low148 Ų148138.3 Ų138.379%0.79180%0.801SS**  34.2112.7115.5-72.7-3.4000118
211L40.8Very low46.6Very low177 Ų177134 Ų13493%0.92779%0.794SS**  -169.2125.8108.1-11974.6000109.7
212L51.8Low46.4Very low160 Ų160131.2 Ų131.284%0.83879%0.789SS**  trans-110.6-179171.9-97.4150.2000106.3
213P57.6Low45.9Very low105 Ų105131.7 Ų131.768%0.68279%0.786SS**  -131-127.4-74.635.9-11.8000107.2
214P50.6Low45.4Very low123 Ų123134.8 Ų134.880%0.79978%0.778SS**  cis-138-178.2-28.231.2-8.9000114.9
215G43.3Very low45.1Very low68 Ų68136.9 Ų136.970%0.70177%0.771SS**  trans135.6137.6155.300000113.4
216T46.9Very low44Very low150 Ų150138 Ų13892%0.9277%0.77SS**  cis-161.8156.44.6-57.70000108.3
217E44.4Very low43.9Very low185 Ų185138.1 Ų138.186%0.86477%0.766SS**  trans-77178.4-163.8-95.9-165.716200119.7
218P44.5Very low43.8Very low106 Ų106139.1 Ų139.169%0.68877%0.766SS**  trans-108.5169.1-167.841.6-32.5000115.6
219T42.8Very low43.6Very low142 Ų142137.5 Ų137.587%0.87176%0.764SS**  trans-164.1157.1159.751.80000109.7
220R40.3Very low43.3Very low225 Ų225140.8 Ų140.885%0.84978%0.775SS**  cis167.7134.9-21.1-152.8-178.2-165.5-177.72.9104.7
221S40.3Very low43.1Very low100 Ų100137.5 Ų137.570%0.69978%0.777SS**  trans46.2144.7148.757.20000120.6
222S41.4Very low43.2Very low103 Ų103138.4 Ų138.472%0.7277%0.773SS**  cis176.8146.435.217.20000110.9
223N39.2Very low42.9Very low131 Ų131139.1 Ų139.170%0.70177%0.772SS**  trans53.3134.7138.3-80.319.4000126.5
224E40.6Very low42.3Very low145 Ų145140.6 Ų140.668%0.67877%0.774SS**  trans73.9144.7134.1-70.9177.6114.400118.5
225Q41.6Very low42.1Very low144 Ų144143.1 Ų143.167%0.67378%0.781SS**  cis-168.7142.613-117.7164.21200109.7
226I40.5Very low41.9Very low136 Ų136144.6 Ų144.670%0.69779%0.787SS**  trans37.7128.6133-49.4173000122.2
227H43.7Very low41.7Very low171 Ų171141.9 Ų141.979%0.79278%0.78SS**  162.5155.5129.2-103.4-91.3000109
228H41.6Very low41.5Very low166 Ų166137.3 Ų137.377%0.76977%0.773SS**  cis175154.3-27.4-135.4-57000105.6
229G39.1Very low41.5Very low63 Ų63139.5 Ų139.565%0.64978%0.778SS**  trans109.998.3158.900000115.2
230E35.8Very low41.5Very low208 Ų208139.1 Ų139.197%0.97277%0.771SS**  71126.181.8-73.2-160.5148.300116
231G39Very low41.7Very low80 Ų80134.6 Ų134.683%0.82577%0.769SS**  trans175.1114.2168.700000113.2
232K43Very low41.7Very low195 Ų195135 Ų13585%0.84877%0.772SS**  trans-79162.8-174.1-65.5166.7173.71710113.6
233E45.4Very low42.1Very low176 Ų176137.2 Ų137.282%0.82278%0.781SS**  162.3113.7129-89.7175.7173.100110
234N43.8Very low42.1Very low135 Ų135139 Ų13972%0.72279%0.785SS**  65.3111.785.1-65.4-12.3000114.3
235N46.3Very low41.9Very low176 Ų176137.5 Ų137.594%0.94179%0.786SS**  -173.8144.3121.5-93.4-24000113.9
236A39.7Very low41.8Very low99 Ų99136.4 Ų136.482%0.81878%0.784SS**  trans-97.4162.1-172.400000113.2
237A42.1Very low41.8Very low94 Ų94137.1 Ų137.178%0.77779%0.785SS**  trans165107142.300000107.5
238A40.9Very low41.7Very low88 Ų88134.2 Ų134.273%0.72778%0.779SS**  68.6112.579.500000114
239L44.7Very low41.6Very low152 Ų152135 Ų13580%0.79678%0.783SS**  165.4116125.6-94.1140.6000112.4
240N41.9Very low41.7Very low134 Ų134136.8 Ų136.872%0.71779%0.786SS**  46143.2128.5-67.23.4000120
241T44.5Very low41.9Very low130 Ų130132.7 Ų132.780%0.79878%0.775SS**  cis-169.3155.228.4-11.40000110.5
242S41.1Very low42.2Very low110 Ų110137.8 Ų137.877%0.76978%0.775SS**  trans-55.3158.6176.3-37.30000116.6
243V48.7Very low42.3Very low149 Ų149133.1 Ų133.190%0.90377%0.766SS**  -157.8129.5123.31770000109.7
244E40.9Very low42.3Very low168 Ų168132.2 Ų132.279%0.78577%0.767SS**  trans-91.4148.5174.4-109.5172.4156.200112.2
245T36.5Very low42.4Very low114 Ų114130.5 Ų130.570%0.69976%0.762SS**  trans13.2149.1136580000119.6
246D37.8Very low42.4Very low120 Ų120129 Ų12964%0.64275%0.753SS**  cis-177.7162.829.1-135-7.3000110.3
247Q41.4Very low42.6Very low152 Ų152131.3 Ų131.371%0.7176%0.756SS**  trans63.3151.9147.4-65.9173.744.500119.4
248T42.4Very low42.6Very low110 Ų110131.9 Ų131.968%0.67575%0.75SS**  cis-170.3131.4-4.724.60000104.9
249E38.1Very low42.8Very low182 Ų182133.6 Ų133.685%0.8576%0.757SS**  78134.2106.5-147.8172.9-143.700118.7
250S41.7Very low42.8Very low100 Ų100131.7 Ų131.770%0.69976%0.756SS**  trans105.598.4150.3790000122.2
251T40.1Very low43.2Very low123 Ų123130.2 Ų130.276%0.75576%0.763SS**  56.7145.9121.566.20000125.4
252K44.5Very low43.3Very low187 Ų187131.8 Ų131.881%0.81377%0.766SS**  trans100.2102.3154.5-68.6-173.9-176.8177.60115.2
253S46Very low43.8Very low96 Ų96133 Ų13367%0.67177%0.769SS**  94.4113.666.2620000111.8
254D44.5Very low44.3Very low157 Ų157131.7 Ų131.784%0.8476%0.764SS**  trans172.3152.6144.8-91.6-29.5000108.7
255T47.6Very low45.1Very low99 Ų99132.2 Ų132.261%0.60777%0.768SS**  cis-178.2133.5-24.1-89.50000104.4
256L44.9Very low46.7Very low144 Ų144132 Ų13275%0.75477%0.769SS**  trans51.3130.5156.1-68.3159.5000121.2
257V44.6Very low48Very low148 Ų148131.8 Ų131.890%0.89777%0.774SS**  -162.8135.2104.7176.70000109.9
258V42.1Very low48.4Very low106 Ų106130.7 Ų130.764%0.64278%0.78SS**  trans-77.9144-178.5167.10000112.6
259S45.8Very low48.9Very low124 Ų124131 Ų13187%0.86779%0.787SS**  trans-160.2131.2142.144.70000112
260S43.5Very low49.4Very low113 Ų113128.2 Ų128.279%0.7978%0.782SS**  trans-94.4146-167.8-43.60000112.2
261A50.9Low49.2Very low103 Ų103129.1 Ų129.185%0.85179%0.786SS**  trans-156.1119.2152.400000110.8
262D46Very low49.3Very low162 Ų162129.3 Ų129.387%0.86679%0.787SS**  trans-61.7143176.7-89.1-46.5000113.8
263T52.8Low49Very low137 Ų137126.2 Ų126.284%0.8478%0.784SS**  trans-155.9129.4143.3-6.20000110
264P58.1Low48.6Very low121 Ų121128.3 Ų128.379%0.78679%0.793SS**PPolyproline II helixtrans-85.9142.6-167.133.2-33.7000113
265M58.3Low48.3Very low178 Ų178123.8 Ų123.888%0.87778%0.783SS**PPolyproline II helixtrans-80.7138.3175.7-138.3170.571.100110.7
266P69.8Low47.9Very low109 Ų109127.1 Ų127.171%0.70880%0.797SS**PPolyproline II helixtrans-80.1154.2173.131.8-31.8000111.8
267P64.6Low48Very low116 Ų116129.1 Ų129.175%0.75380%0.8SS**PPolyproline II helixtrans-78.2157.7-174.132.6-34.9000112.6S269P267-S269 PolarHBondContact O-N 2.75Å
268P50.3Low48.4Very low129 Ų129132.8 Ų132.884%0.83880%0.797SS**PPolyproline II helixtrans-78118.1179.530.6-30.8000111
269S52.3Low49.3Very low117 Ų117132.7 Ų132.782%0.81880%0.799SS**PPolyproline II helixtrans-70.6132.4169.343.90000111.7P267P267-S269 PolarHBondContact O-N 2.75Å
270T48.6Very low50.4Low123 Ų123132.9 Ų132.976%0.75580%0.795SS**PPolyproline II helixtrans-54.1150176.246.70000114
271P39Very low52Low120 Ų120129.2 Ų129.278%0.77977%0.771SS**PPolyproline II helixtrans-86.1132.7-171.234.1-31.3000112.2
272V41Very low53.6Low127 Ų127126.4 Ų126.477%0.7775%0.745SS**  trans-119.6142166.1-172.20000108
273T38.1Very low55.6Low122 Ų122123.6 Ų123.675%0.74874%0.738SS**  trans98.5101.8161.5-350000116.8
274T37.8Very low57.4Low140 Ų140123.9 Ų123.986%0.85973%0.73SS**  trans-23.1120.5151.346.30000116
275G37.6Very low59Low61 Ų61118.6 Ų118.663%0.62970%0.695SS**  trans179.3124.3167.900000109.2K277G275-K277 PolarHBondContact O-N 3.1Å
276N40.3Very low60.5Low170 Ų170113.5 Ų113.591%0.90967%0.671SS**  trans-22.693.6-174.9-80.4-9.1000115R278N276-R278 PolarHBondContact O-N 3.07Å
277K47.5Very low61.6Low186 Ų186114.5 Ų114.581%0.80966%0.664SS**PPolyproline II helixtrans-68.5118172.6-73-174.7177.8-178.60107.7G275G275-K277 PolarHBondContact O-N 3.1Å
278R52.2Low63Low224 Ų224109.1 Ų109.185%0.84563%0.63SS**PPolyproline II helixtrans-50.8134.8165.4-66.5-178.9-166.7-170.53.3107.4N276 V280N276-R278 PolarHBondContact O-N 3.07Å; R278-V280 PolarHBondContact O-N 3.28Å
279P59.9Low65Low104 Ų104103 Ų10368%0.67559%0.59SS**PPolyproline II helixtrans-60.1117.6-178.426.3-33.5000107.8A315P279-A315 HydrophobicContact CB-CB 3.68Å; P279-A315 HydrophobicContact CG-CB 3.96Å; P279-A315 WeakPolarHBondContact O-CB 3.15Å
280V69.1Low66.9Low129 Ų129101.9 Ų101.978%0.78257%0.572SS**PPolyproline II helixtrans-78.2129.5175.71800000106.4R278 S282R278-V280 PolarHBondContact O-N 3.28Å; V280-S282 PolarHBondContact O-N 3.44Å
281A77.5Confident69.1Low36 Ų3698.6 Ų98.630%0.29855%0.548SS..PPolyproline II helixtrans-60.5125.2179.200000110.3F314 A315A281-F314 HydrophobicContact CB-CD2 3.71Å; A281-F314 HydrophobicContact CB-CE2 3.49Å; A281-F314 VanDerWaalsContact CB-CE2 3.49Å; A281-F314 HydrophobicContact CB-CG 4.31Å; A281-F314 HydrophobicContact CB-CZ 3.94Å; A281-A315 HydrophobicContact CB-CB 4.26Å
282S84.7Confident71.7Confident44 Ų4493 Ų9331%0.30851%0.513SS..PPolyproline II helixtrans-84158.6-179.867.30000111.2V280 Q284 D285 L286V280-S282 PolarHBondContact O-N 3.44Å; S282-Q284 PolarHBondContact O-N 2.86Å; S282-D285 PolarHBondContact N-OD2 3.27Å; S282-D285 WeakPolarHBondContact O-CB 3.26Å; S282-D285 PolarHBondContact O-N 3.06Å; S282-D285 PolarHBondContact OG-N 3.29Å; S282-D285 PolarHBondContact OG-OD2 3.33Å; S282-L286 PolarHBondContact O-N 2.86Å
283S88Confident74.2Confident103 Ų10388.6 Ų88.672%0.7248%0.484SS*.Hα-helixtrans-57.9-29.6171.654.20000112.3L286 F287S283-L286 PolarHBondContact O-N 3.26Å; S283-F287 PolarHBondContact O-N 2.86Å
284Q91.5Very high76.8Confident143 Ų14391.2 Ų91.267%0.66849%0.485SS*.Hα-helixtrans-66-39.6173.3-65.4-179.6-6.600112.2S282 L286 F287 A288 A318S282-Q284 PolarHBondContact O-N 2.86Å; Q284-L286 VanDerWaalsContact C-N 3.34Å; Q284-F287 PolarHBondContact O-N 2.87Å; Q284-A288 WeakPolarHBondContact O-CB 3.27Å; Q284-A288 PolarHBondContact O-N 2.85Å; Q284-A318 HydrophobicContact CB-CB 4.46Å
285D91Very high79.4Confident10 Ų1090.9 Ų90.95%0.05347%0.468CS..Hα-helixtrans-65.4-39.3176.3-63-52.9000111.7S282 A288 I289 F314 G316 F317 A318S282-D285 PolarHBondContact N-OD2 3.27Å; S282-D285 WeakPolarHBondContact O-CB 3.26Å; S282-D285 PolarHBondContact O-N 3.06Å; S282-D285 PolarHBondContact OG-N 3.29Å; S282-D285 PolarHBondContact OG-OD2 3.33Å; D285-A288 PolarHBondContact O-N 3.04Å; D285-I289 PolarHBondContact O-N 3.17Å; D285-F314 HydrophobicContact CB-CD2 3.72Å; D285-F314 HydrophobicContact CB-CE2 4.22Å; D285-F314 WeakPolarHBondContact CB-O 3.38Å; D285-G316 VanDerWaalsContact CG-N 3.3Å; D285-G316 VanDerWaalsContact OD1-C 3.29Å; D285-G316 WeakPolarHBondContact OD1-CA 3.5Å; D285-G316 PolarHBondContact OD1-N 2.72Å; D285-G316 VanDerWaalsContact OD1-N 3.15Å; D285-G316 PolarHBondContact OD2-N 3.19Å; D285-G316 VanDerWaalsContact OD2-N 3.1Å; D285-F317 HydrophobicContact CB-CB 4.45Å; D285-F317 PolarHBondContact OD1-N 2.88Å; D285-A318 WeakPolarHBondContact OD1-CB 3.38Å; D285-A318 PolarHBondContact OD1-N 2.95Å
286L90.4Very high81.9Confident71 Ų7189 Ų8937%0.37245%0.447SS..Hα-helixtrans-63.6-47.3176.5-168.8151.6000111S282 S283 Q284 A288 I289 Q290 F314S282-L286 PolarHBondContact O-N 2.86Å; S283-L286 PolarHBondContact O-N 3.26Å; Q284-L286 VanDerWaalsContact C-N 3.34Å; L286-A288 VanDerWaalsContact C-N 3.33Å; L286-A288 PolarHBondContact O-N 2.9Å; L286-I289 PolarHBondContact O-N 2.95Å; L286-Q290 HydrophobicContact CD2-CG 4.21Å; L286-Q290 WeakPolarHBondContact O-CG 3.39Å; L286-Q290 PolarHBondContact O-N 3.38Å; L286-F314 HydrophobicContact CB-CE2 3.88Å; L286-F314 HydrophobicContact CB-CZ 4.34Å; L286-F314 HydrophobicContact CD1-CZ 4.29Å; L286-F314 HydrophobicContact CG-CE2 4.47Å; L286-F314 HydrophobicContact CG-CZ 4.47Å
287F92.3Very high84.3Confident129 Ų12991.2 Ų91.257%0.56644%0.442SS*.Hα-helixtrans-60.2-44.8176-173.3-94.6000111.2S283 Q284 I289 Q290 E291S283-F287 PolarHBondContact O-N 2.86Å; Q284-F287 PolarHBondContact O-N 2.87Å; F287-I289 PolarHBondContact O-N 3.26Å; F287-Q290 PolarHBondContact O-N 3.14Å; F287-E291 HydrophobicContact CE1-CG 4.41Å; F287-E291 WeakPolarHBondContact CE1-OE2 3.16Å; F287-E291 WeakPolarHBondContact O-CB 3.43Å; F287-E291 PolarHBondContact O-N 3.34Å
288A93.6Very high86.5Confident4 Ų485.9 Ų85.93%0.03343%0.426CS..Hα-helixtrans-61-40.2178.600000112.9Q284 D285 L286 E291 A292 F317 A318 W321Q284-A288 WeakPolarHBondContact O-CB 3.27Å; Q284-A288 PolarHBondContact O-N 2.85Å; D285-A288 PolarHBondContact O-N 3.04Å; L286-A288 VanDerWaalsContact C-N 3.33Å; L286-A288 PolarHBondContact O-N 2.9Å; A288-E291 PolarHBondContact O-N 3.43Å; A288-A292 WeakPolarHBondContact O-CB 3.32Å; A288-A292 PolarHBondContact O-N 2.98Å; A288-F317 HydrophobicContact CB-CD1 3.86Å; A288-F317 HydrophobicContact CB-CE1 4.21Å; A288-A318 HydrophobicContact CB-CB 3.71Å; A288-W321 HydrophobicContact CB-CD2 4.46Å; A288-W321 HydrophobicContact CB-CE3 3.73Å; A288-W321 HydrophobicContact CB-CZ3 4.25Å
289I92.6Very high88.2Confident0 Ų081.3 Ų81.30%042%0.415CS..Hα-helixtrans-67.8-44.4174.7-68.6172.7000111.5D285 L286 F287 E291 A292 I293 L305 L308 L309 F314 F317D285-I289 PolarHBondContact O-N 3.17Å; L286-I289 PolarHBondContact O-N 2.95Å; F287-I289 PolarHBondContact O-N 3.26Å; I289-E291 PolarHBondContact O-N 3.23Å; I289-A292 WeakPolarHBondContact O-CB 3.46Å; I289-A292 PolarHBondContact O-N 2.76Å; I289-A292 VanDerWaalsContact O-N 3.07Å; I289-I293 HydrophobicContact CG2-CD1 3.81Å; I289-I293 HydrophobicContact CG2-CG1 4.16Å; I289-I293 WeakPolarHBondContact O-CG1 3.46Å; I289-I293 PolarHBondContact O-N 2.84Å; I289-L305 HydrophobicContact CG2-CB 4.2Å; I289-L305 HydrophobicContact CG2-CD2 4.31Å; I289-L308 HydrophobicContact CD1-CB 4.17Å; I289-L308 HydrophobicContact CD1-CD2 4.41Å; I289-L309 HydrophobicContact CB-CD2 4.22Å; I289-L309 HydrophobicContact CB-CG 4.36Å; I289-L309 HydrophobicContact CD1-CD2 4.43Å; I289-L309 HydrophobicContact CG2-CD1 3.83Å; I289-L309 HydrophobicContact CG2-CD2 4.02Å; I289-L309 HydrophobicContact CG2-CG 3.61Å; I289-F314 HydrophobicContact CD1-CB 3.05Å; I289-F314 HydrophobicContact CD1-CD1 4.06Å; I289-F314 HydrophobicContact CD1-CD2 3.8Å; I289-F314 HydrophobicContact CD1-CG 3.41Å; I289-F314 VanDerWaalsContact CD1-CG 3.41Å; I289-F314 HydrophobicContact CG1-CB 4.36Å; I289-F317 HydrophobicContact CB-CD1 4.3Å; I289-F317 HydrophobicContact CB-CE1 4.18Å; I289-F317 HydrophobicContact CD1-CB 4.28Å; I289-F317 HydrophobicContact CD1-CD1 4.22Å; I289-F317 HydrophobicContact CD1-CD2 4.23Å; I289-F317 HydrophobicContact CD1-CG 3.98Å; I289-F317 HydrophobicContact CG1-CB 4.17Å; I289-F317 HydrophobicContact CG1-CD1 3.24Å; I289-F317 HydrophobicContact CG1-CD2 3.87Å; I289-F317 HydrophobicContact CG1-CE1 3.44Å; I289-F317 VanDerWaalsContact CG1-CE1 3.44Å; I289-F317 HydrophobicContact CG1-CE2 4.03Å; I289-F317 HydrophobicContact CG1-CG 3.47Å; I289-F317 VanDerWaalsContact CG1-CG 3.47Å; I289-F317 HydrophobicContact CG1-CZ 3.83Å
290Q92.8Very high89.5Confident93 Ų9380.4 Ų80.444%0.43541%0.405SS..Hα-helixtrans-58.6-38.9177.1-72.3-178.6-17.200111.2L286 F287 I293 K294L286-Q290 HydrophobicContact CD2-CG 4.21Å; L286-Q290 WeakPolarHBondContact O-CG 3.39Å; L286-Q290 PolarHBondContact O-N 3.38Å; F287-Q290 PolarHBondContact O-N 3.14Å; Q290-I293 PolarHBondContact O-N 3.33Å; Q290-K294 WeakPolarHBondContact O-CG 3.14Å; Q290-K294 PolarHBondContact O-N 3.23Å
291E93.7Very high90.6Very high54 Ų5478 Ų7825%0.25239%0.385SS..Hα-helixtrans-71.3-32.6176.1-136.6-164.3143.300112.8F287 A288 I289 R295 W321F287-E291 HydrophobicContact CE1-CG 4.41Å; F287-E291 WeakPolarHBondContact CE1-OE2 3.16Å; F287-E291 WeakPolarHBondContact O-CB 3.43Å; F287-E291 PolarHBondContact O-N 3.34Å; A288-E291 PolarHBondContact O-N 3.43Å; I289-E291 PolarHBondContact O-N 3.23Å; E291-R295 PolarHBondContact O-N 2.89Å; E291-R295 IonicContact OE1-CZ 3.79Å; E291-R295 IonicContact OE1-NH1 3.19Å; E291-R295 PolarHBondContact OE1-NH1 3.05Å; E291-R295 IonicContact OE1-NH2 3.71Å; E291-R295 PolarHBondContact OE1-NH2 2.94Å; E291-W321 HydrophobicContact CB-CH2 3.56Å; E291-W321 HydrophobicContact CB-CZ2 4.14Å; E291-W321 HydrophobicContact CB-CZ3 4.09Å; E291-W321 VanDerWaalsContact CD-CH2 3.47Å; E291-W321 HydrophobicContact CG-CH2 3.9Å; E291-W321 VanDerWaalsContact OE2-CH2 3.3Å; E291-W321 WeakPolarHBondContact OE2-CH2 3.3Å; E291-W321 WeakPolarHBondContact OE2-CZ3 3.18Å
292A93.3Very high91.3Very high4 Ų477.9 Ų77.93%0.03338%0.381CS..Hα-helixtrans-66.9-42.4172.400000111.6A288 I289 K294 R295 A296 L305 F317 W321A288-A292 WeakPolarHBondContact O-CB 3.32Å; A288-A292 PolarHBondContact O-N 2.98Å; I289-A292 WeakPolarHBondContact O-CB 3.46Å; I289-A292 PolarHBondContact O-N 2.76Å; I289-A292 VanDerWaalsContact O-N 3.07Å; A292-K294 VanDerWaalsContact C-N 3.3Å; A292-K294 PolarHBondContact O-N 2.81Å; A292-R295 CarbonylContact O-C 3.54Å; A292-R295 PolarHBondContact O-N 2.98Å; A292-A296 PolarHBondContact O-N 3.24Å; A292-L305 HydrophobicContact CB-CD1 3.74Å; A292-L305 HydrophobicContact CB-CD2 4.1Å; A292-F317 HydrophobicContact CB-CE1 3.95Å; A292-F317 HydrophobicContact CB-CZ 3.83Å; A292-W321 HydrophobicContact CB-CZ2 4.31Å
293I93.2Very high91.6Very high34 Ų3481 Ų8117%0.17439%0.39CS..Hα-helixtrans-60.4-43176.7-69.7168.6000110.2I289 Q290 R295 A296 L305 L309I289-I293 HydrophobicContact CG2-CD1 3.81Å; I289-I293 HydrophobicContact CG2-CG1 4.16Å; I289-I293 WeakPolarHBondContact O-CG1 3.46Å; I289-I293 PolarHBondContact O-N 2.84Å; Q290-I293 PolarHBondContact O-N 3.33Å; I293-R295 PolarHBondContact O-N 3.16Å; I293-A296 WeakPolarHBondContact O-CB 3.35Å; I293-A296 PolarHBondContact O-N 2.96Å; I293-L305 HydrophobicContact CB-CD1 4.5Å; I293-L305 HydrophobicContact CD1-CB 4.02Å; I293-L305 HydrophobicContact CG1-CB 3.44Å; I293-L305 VanDerWaalsContact CG1-CB 3.44Å; I293-L305 HydrophobicContact CG1-CD1 3.82Å; I293-L305 HydrophobicContact CG1-CG 4.26Å; I293-L309 HydrophobicContact CD1-CD1 3.38Å; I293-L309 HydrophobicContact CD1-CG 4.47Å
294K93.6Very high91.8Very high177 Ų17783.6 Ų83.677%0.7738%0.384SS*.Hα-helixtrans-63.5-26.5176.3-71.4176.7-178-178.90113.7Q290 A292Q290-K294 WeakPolarHBondContact O-CG 3.14Å; Q290-K294 PolarHBondContact O-N 3.23Å; A292-K294 VanDerWaalsContact C-N 3.3Å; A292-K294 PolarHBondContact O-N 2.81Å
295R91.7Very high91.9Very high132 Ų13277.3 Ų77.350%0.49836%0.355SS..Hα-helixtrans-96.8-8.6179.8-73.7-165.3-178.581-4.7114.2E291 A292 I293 W321E291-R295 PolarHBondContact O-N 2.89Å; E291-R295 IonicContact OE1-CZ 3.79Å; E291-R295 IonicContact OE1-NH1 3.19Å; E291-R295 PolarHBondContact OE1-NH1 3.05Å; E291-R295 IonicContact OE1-NH2 3.71Å; E291-R295 PolarHBondContact OE1-NH2 2.94Å; A292-R295 CarbonylContact O-C 3.54Å; A292-R295 PolarHBondContact O-N 2.98Å; I293-R295 PolarHBondContact O-N 3.16Å; R295-W321 VanDerWaalsContact NH1-CH2 3.32Å
296A91.3Very high92Very high22 Ų2281.6 Ų81.618%0.18238%0.375CS..  trans-61.3138.6-175.800000111.1A292 I293 E301 V302 L305A292-A296 PolarHBondContact O-N 3.24Å; I293-A296 WeakPolarHBondContact O-CB 3.35Å; I293-A296 PolarHBondContact O-N 2.96Å; A296-E301 VanDerWaalsContact CA-OE2 3.26Å; A296-E301 WeakPolarHBondContact CA-OE2 3.5Å; A296-E301 HydrophobicContact CB-CB 4.11Å; A296-E301 HydrophobicContact CB-CG 3.73Å; A296-V302 HydrophobicContact CB-CG2 3.55Å; A296-L305 HydrophobicContact CB-CD1 4.47Å
297R90Very high92Very high216 Ų21680 Ų8082%0.81537%0.366SS*.  trans-102.8-18.2-176.4-67.3-179178-178-5.2113.5E301R297-E301 PolarHBondContact N-OE2 3.35Å
298T93.2Very high91.9Very high75 Ų7575 Ų7546%0.4635%0.345SS..SBendtrans-125.2150.1-177.266.30000110.6D300 E301 V302T298-D300 VanDerWaalsContact C-N 3.29Å; T298-D300 PolarHBondContact O-N 2.86Å; T298-E301 WeakPolarHBondContact O-CB 3.15Å; T298-E301 PolarHBondContact O-N 3.35Å; T298-E301 VanDerWaalsContact O-N 3.15Å; T298-E301 WeakPolarHBondContact OG1-CB 3.5Å; T298-E301 PolarHBondContact OG1-N 3.42Å; T298-V302 PolarHBondContact O-N 3.17Å
299M88.4Confident91.7Very high127 Ų12777 Ų7763%0.62636%0.355SS*.Hα-helixtrans-62.1-38.8176.9-165.959.66400111.7E301 V302 E303M299-E301 PolarHBondContact O-N 2.81Å; M299-V302 PolarHBondContact O-N 2.6Å; M299-V302 VanDerWaalsContact O-N 3.11Å; M299-V302 HydrophobicContact SD-CB 4.44Å; M299-E303 HydrophobicContact CG-CG 4.38Å; M299-E303 WeakPolarHBondContact O-CG 3.44Å; M299-E303 PolarHBondContact O-N 2.97Å
300D88.4Confident91.5Very high85 Ų8582 Ų8246%0.45539%0.389SS..Hα-helixtrans-55.8-36.6175.1-67-28.3000112.1R148 T298 R304R148-D300 IonicContact CZ-OD2 3.3Å; R148-D300 IonicContact NH1-OD1 3.98Å; R148-D300 PolarHBondContact NH1-OD1 2.91Å; R148-D300 IonicContact NH1-OD2 2.72Å; R148-D300 PolarHBondContact NH1-OD2 2.84Å; R148-D300 IonicContact NH2-OD2 2.97Å; T298-D300 VanDerWaalsContact C-N 3.29Å; T298-D300 PolarHBondContact O-N 2.86Å; D300-R304 WeakPolarHBondContact O-CB 3.4Å; D300-R304 PolarHBondContact O-N 3.2Å; D300-R304 VanDerWaalsContact O-N 3.16Å
301E91.3Very high91.3Very high78 Ų7879.8 Ų79.836%0.36438%0.384SS..Hα-helixtrans-72.1-43.1177.4-176.7176.6-15800111.5A296 R297 T298 M299 R304 L305A296-E301 VanDerWaalsContact CA-OE2 3.26Å; A296-E301 WeakPolarHBondContact CA-OE2 3.5Å; A296-E301 HydrophobicContact CB-CB 4.11Å; A296-E301 HydrophobicContact CB-CG 3.73Å; R297-E301 PolarHBondContact N-OE2 3.35Å; T298-E301 WeakPolarHBondContact O-CB 3.15Å; T298-E301 PolarHBondContact O-N 3.35Å; T298-E301 VanDerWaalsContact O-N 3.15Å; T298-E301 WeakPolarHBondContact OG1-CB 3.5Å; T298-E301 PolarHBondContact OG1-N 3.42Å; M299-E301 PolarHBondContact O-N 2.81Å; E301-R304 PolarHBondContact O-N 2.95Å; E301-L305 HydrophobicContact CG-CD1 4.17Å; E301-L305 VanDerWaalsContact O-CG 3.29Å; E301-L305 WeakPolarHBondContact O-CG 3.41Å; E301-L305 PolarHBondContact O-N 3.05Å
302V93Very high90.9Very high35 Ų3579.1 Ų79.121%0.21239%0.392CS..Hα-helixtrans-60.7-50.1176.3174.40000110.7A296 T298 M299 R304 L305 H306A296-V302 HydrophobicContact CB-CG2 3.55Å; T298-V302 PolarHBondContact O-N 3.17Å; M299-V302 PolarHBondContact O-N 2.6Å; M299-V302 VanDerWaalsContact O-N 3.11Å; M299-V302 HydrophobicContact SD-CB 4.44Å; V302-R304 VanDerWaalsContact C-N 3.33Å; V302-R304 PolarHBondContact O-N 3.04Å; V302-L305 PolarHBondContact O-N 2.68Å; V302-H306 PolarHBondContact O-CD2 2.85Å; V302-H306 PolarHBondContact O-N 3.21Å
303E90.9Very high90.6Very high109 Ų10984.9 Ų84.951%0.50942%0.418SS..Hα-helixtrans-60.2-43179.3-73.2178.2-175.200111.7M299 L305 H306 Q307M299-E303 HydrophobicContact CG-CG 4.38Å; M299-E303 WeakPolarHBondContact O-CG 3.44Å; M299-E303 PolarHBondContact O-N 2.97Å; E303-L305 PolarHBondContact O-N 2.93Å; E303-H306 PolarHBondContact O-N 3.19Å; E303-Q307 WeakPolarHBondContact O-CB 3.43Å; E303-Q307 PolarHBondContact O-N 3.09Å
304R92.2Very high90.3Very high157 Ų15784.3 Ų84.359%0.59241%0.414SS*.Hα-helixtrans-59.3-45.6175.4-177.3-176.6176.5-165-1.2111.7D300 E301 V302 Q307 L308D300-R304 WeakPolarHBondContact O-CB 3.4Å; D300-R304 PolarHBondContact O-N 3.2Å; D300-R304 VanDerWaalsContact O-N 3.16Å; E301-R304 PolarHBondContact O-N 2.95Å; V302-R304 VanDerWaalsContact C-N 3.33Å; V302-R304 PolarHBondContact O-N 3.04Å; R304-Q307 WeakPolarHBondContact O-CB 3.46Å; R304-Q307 PolarHBondContact O-N 2.85Å; R304-L308 HydrophobicContact CG-CD1 4.13Å; R304-L308 WeakPolarHBondContact O-CD1 3.39Å; R304-L308 PolarHBondContact O-N 2.82Å; R304-L308 VanDerWaalsContact O-N 3.08Å
305L93.2Very high90Very high12 Ų1277.5 Ų77.56%0.06339%0.391CS..Hα-helixtrans-69.2-37.9-179.8-69169.9000112.3I289 A292 I293 A296 E301 V302 E303 Q307 L308 L309 F317I289-L305 HydrophobicContact CG2-CB 4.2Å; I289-L305 HydrophobicContact CG2-CD2 4.31Å; A292-L305 HydrophobicContact CB-CD1 3.74Å; A292-L305 HydrophobicContact CB-CD2 4.1Å; I293-L305 HydrophobicContact CB-CD1 4.5Å; I293-L305 HydrophobicContact CD1-CB 4.02Å; I293-L305 HydrophobicContact CG1-CB 3.44Å; I293-L305 VanDerWaalsContact CG1-CB 3.44Å; I293-L305 HydrophobicContact CG1-CD1 3.82Å; I293-L305 HydrophobicContact CG1-CG 4.26Å; A296-L305 HydrophobicContact CB-CD1 4.47Å; E301-L305 HydrophobicContact CG-CD1 4.17Å; E301-L305 VanDerWaalsContact O-CG 3.29Å; E301-L305 WeakPolarHBondContact O-CG 3.41Å; E301-L305 PolarHBondContact O-N 3.05Å; V302-L305 PolarHBondContact O-N 2.68Å; E303-L305 PolarHBondContact O-N 2.93Å; L305-Q307 VanDerWaalsContact C-N 3.33Å; L305-L308 WeakPolarHBondContact O-CB 3.19Å; L305-L308 PolarHBondContact O-N 2.78Å; L305-L309 PolarHBondContact O-N 3.17Å; L305-F317 HydrophobicContact CD2-CE2 3.75Å; L305-F317 HydrophobicContact CD2-CZ 3.59Å
306H92.6Very high89.9Confident99 Ų9972.8 Ų72.846%0.45838%0.383SS..Hα-helixtrans-63.3-38.2171.8-89.6-80.4000112.2V302 E303 L308 L309 S310V302-H306 PolarHBondContact O-CD2 2.85Å; V302-H306 PolarHBondContact O-N 3.21Å; E303-H306 PolarHBondContact O-N 3.19Å; H306-L308 VanDerWaalsContact C-N 3.34Å; H306-L308 PolarHBondContact O-N 2.94Å; H306-L309 PolarHBondContact O-N 2.74Å; H306-S310 WeakPolarHBondContact O-CB 3.41Å; H306-S310 PolarHBondContact O-N 2.62Å
307Q90.3Very high90Very high39 Ų3973.1 Ų73.118%0.18238%0.381CS..Hα-helixtrans-63.6-39.4174.1-169.466.523.200111.7H122 E303 R304 L305 S310 S311H122-Q307 PolarHBondContact ND1-OE1 3.23Å; E303-Q307 WeakPolarHBondContact O-CB 3.43Å; E303-Q307 PolarHBondContact O-N 3.09Å; R304-Q307 WeakPolarHBondContact O-CB 3.46Å; R304-Q307 PolarHBondContact O-N 2.85Å; L305-Q307 VanDerWaalsContact C-N 3.33Å; Q307-S310 PolarHBondContact O-N 3.09Å; Q307-S311 VanDerWaalsContact O-CB 3.29Å; Q307-S311 WeakPolarHBondContact O-CB 3.47Å; Q307-S311 PolarHBondContact O-N 2.97Å; Q307-S311 PolarHBondContact O-OG 2.91Å
308L90Very high90Very high23 Ų2363.3 Ų63.312%0.1235%0.345CS..Hα-helixtrans-61.2-46.4173.1-9389.2000111.5M127 I289 R304 L305 H306 S311 G312 F314 F317M127-L308 HydrophobicContact SD-CD1 3.88Å; M127-L308 HydrophobicContact SD-CG 4.35Å; I289-L308 HydrophobicContact CD1-CB 4.17Å; I289-L308 HydrophobicContact CD1-CD2 4.41Å; R304-L308 HydrophobicContact CG-CD1 4.13Å; R304-L308 WeakPolarHBondContact O-CD1 3.39Å; R304-L308 PolarHBondContact O-N 2.82Å; R304-L308 VanDerWaalsContact O-N 3.08Å; L305-L308 WeakPolarHBondContact O-CB 3.19Å; L305-L308 PolarHBondContact O-N 2.78Å; H306-L308 VanDerWaalsContact C-N 3.34Å; H306-L308 PolarHBondContact O-N 2.94Å; L308-S311 PolarHBondContact O-N 3.41Å; L308-S311 PolarHBondContact O-OG 3.13Å; L308-G312 PolarHBondContact O-N 3.06Å; L308-F314 HydrophobicContact CD2-CB 4.31Å; L308-F314 WeakPolarHBondContact O-CD1 3.45Å; L308-F317 HydrophobicContact CD2-CD2 3.96Å; L308-F317 HydrophobicContact CD2-CE2 4.35Å
309L89.7Confident89.9Confident47 Ų4763 Ų6325%0.24635%0.351CS..Hα-helixtrans-60.1-49176.3-79.2170.5000112I289 I293 L305 H306 S311 G312 F314I289-L309 HydrophobicContact CB-CD2 4.22Å; I289-L309 HydrophobicContact CB-CG 4.36Å; I289-L309 HydrophobicContact CD1-CD2 4.43Å; I289-L309 HydrophobicContact CG2-CD1 3.83Å; I289-L309 HydrophobicContact CG2-CD2 4.02Å; I289-L309 HydrophobicContact CG2-CG 3.61Å; I293-L309 HydrophobicContact CD1-CD1 3.38Å; I293-L309 HydrophobicContact CD1-CG 4.47Å; L305-L309 PolarHBondContact O-N 3.17Å; H306-L309 PolarHBondContact O-N 2.74Å; L309-S311 VanDerWaalsContact C-N 3.33Å; L309-S311 PolarHBondContact O-N 2.88Å; L309-G312 PolarHBondContact O-N 2.66Å; L309-F314 HydrophobicContact CD2-CE1 4.34Å
310S88.7Confident90Very high104 Ų10463.9 Ų63.973%0.72735%0.353SS*.Hα-helixtrans-63.4-38.1-178.1-175.20000112.2H306 Q307 G312H306-S310 WeakPolarHBondContact O-CB 3.41Å; H306-S310 PolarHBondContact O-N 2.62Å; Q307-S310 PolarHBondContact O-N 3.09Å; S310-G312 VanDerWaalsContact C-N 3.33Å; S310-G312 PolarHBondContact O-N 3.33Å
311S88Confident90.1Very high46 Ų4661 Ų6132%0.32234%0.336SS..Hα-helixtrans-76.4-15.4178.564.90000114.5Q307 L308 L309 Q313Q307-S311 VanDerWaalsContact O-CB 3.29Å; Q307-S311 WeakPolarHBondContact O-CB 3.47Å; Q307-S311 PolarHBondContact O-N 2.97Å; Q307-S311 PolarHBondContact O-OG 2.91Å; L308-S311 PolarHBondContact O-N 3.41Å; L308-S311 PolarHBondContact O-OG 3.13Å; L309-S311 VanDerWaalsContact C-N 3.33Å; L309-S311 PolarHBondContact O-N 2.88Å; S311-Q313 PolarHBondContact O-N 3.17Å; S311-Q313 PolarHBondContact OG-N 2.99Å
312G87Confident90.1Very high40 Ų4062.6 Ų62.641%0.41234%0.343SS..THydrogen-bonded Turntrans69.63.5-17200000114.4L308 L309 S310 F314L308-G312 PolarHBondContact O-N 3.06Å; L309-G312 PolarHBondContact O-N 2.66Å; S310-G312 VanDerWaalsContact C-N 3.33Å; S310-G312 PolarHBondContact O-N 3.33Å; G312-F314 VanDerWaalsContact C-N 3.33Å; G312-F314 PolarHBondContact O-N 2.86Å; G312-F314 VanDerWaalsContact O-N 3.16Å
313Q86.3Confident90.1Very high126 Ų12667.6 Ų67.659%0.58936%0.362SS*.  trans-92.558.2-172.6-62.8-174.4-2.700112.2S311S311-Q313 PolarHBondContact O-N 3.17Å; S311-Q313 PolarHBondContact OG-N 2.99Å
314F87.6Confident90Very high22 Ų2267.3 Ų67.310%0.09636%0.361CS..  trans-126.816.8-175.556.7-94.9000115.4A281 D285 L286 I289 L308 L309 G312 G316 F317A281-F314 HydrophobicContact CB-CD2 3.71Å; A281-F314 HydrophobicContact CB-CE2 3.49Å; A281-F314 VanDerWaalsContact CB-CE2 3.49Å; A281-F314 HydrophobicContact CB-CG 4.31Å; A281-F314 HydrophobicContact CB-CZ 3.94Å; D285-F314 HydrophobicContact CB-CD2 3.72Å; D285-F314 HydrophobicContact CB-CE2 4.22Å; D285-F314 WeakPolarHBondContact CB-O 3.38Å; L286-F314 HydrophobicContact CB-CE2 3.88Å; L286-F314 HydrophobicContact CB-CZ 4.34Å; L286-F314 HydrophobicContact CD1-CZ 4.29Å; L286-F314 HydrophobicContact CG-CE2 4.47Å; L286-F314 HydrophobicContact CG-CZ 4.47Å; I289-F314 HydrophobicContact CD1-CB 3.05Å; I289-F314 HydrophobicContact CD1-CD1 4.06Å; I289-F314 HydrophobicContact CD1-CD2 3.8Å; I289-F314 HydrophobicContact CD1-CG 3.41Å; I289-F314 VanDerWaalsContact CD1-CG 3.41Å; I289-F314 HydrophobicContact CG1-CB 4.36Å; L308-F314 HydrophobicContact CD2-CB 4.31Å; L308-F314 WeakPolarHBondContact O-CD1 3.45Å; L309-F314 HydrophobicContact CD2-CE1 4.34Å; G312-F314 VanDerWaalsContact C-N 3.33Å; G312-F314 PolarHBondContact O-N 2.86Å; G312-F314 VanDerWaalsContact O-N 3.16Å; F314-G316 PolarHBondContact O-N 3.36Å; F314-F317 HydrophobicContact CB-CB 4.29Å; F314-F317 WeakPolarHBondContact O-CB 3.26Å; F314-F317 PolarHBondContact O-N 2.85Å
315A87.1Confident89.9Confident34 Ų3462 Ų6228%0.28134%0.344SS..THydrogen-bonded Turntrans-62.7128.1177.700000111.6P279 A281 F317P279-A315 HydrophobicContact CB-CB 3.68Å; P279-A315 HydrophobicContact CG-CB 3.96Å; P279-A315 WeakPolarHBondContact O-CB 3.15Å; A281-A315 HydrophobicContact CB-CB 4.26Å; A315-F317 VanDerWaalsContact C-N 3.31Å
316G89.3Confident89.8Confident32 Ų3269.5 Ų69.533%0.3337%0.372SS..THydrogen-bonded Turntrans805.5-175.500000114.9D285 F314 A318 A319 Q320D285-G316 VanDerWaalsContact CG-N 3.3Å; D285-G316 VanDerWaalsContact OD1-C 3.29Å; D285-G316 WeakPolarHBondContact OD1-CA 3.5Å; D285-G316 PolarHBondContact OD1-N 2.72Å; D285-G316 VanDerWaalsContact OD1-N 3.15Å; D285-G316 PolarHBondContact OD2-N 3.19Å; D285-G316 VanDerWaalsContact OD2-N 3.1Å; F314-G316 PolarHBondContact O-N 3.36Å; G316-A318 VanDerWaalsContact C-N 3.29Å; G316-A318 PolarHBondContact O-N 3.2Å; G316-A319 PolarHBondContact O-N 2.79Å; G316-Q320 PolarHBondContact O-N 3.1Å
317F92.9Very high89.6Confident30 Ų3069.2 Ų69.213%0.13237%0.37CS..Hα-helixtrans-58.4-40.1175.2-178.3-87.7000111.8D285 A288 I289 A292 L305 L308 F314 A315 A319 Q320 W321D285-F317 HydrophobicContact CB-CB 4.45Å; D285-F317 PolarHBondContact OD1-N 2.88Å; A288-F317 HydrophobicContact CB-CD1 3.86Å; A288-F317 HydrophobicContact CB-CE1 4.21Å; I289-F317 HydrophobicContact CB-CD1 4.3Å; I289-F317 HydrophobicContact CB-CE1 4.18Å; I289-F317 HydrophobicContact CD1-CB 4.28Å; I289-F317 HydrophobicContact CD1-CD1 4.22Å; I289-F317 HydrophobicContact CD1-CD2 4.23Å; I289-F317 HydrophobicContact CD1-CG 3.98Å; I289-F317 HydrophobicContact CG1-CB 4.17Å; I289-F317 HydrophobicContact CG1-CD1 3.24Å; I289-F317 HydrophobicContact CG1-CD2 3.87Å; I289-F317 HydrophobicContact CG1-CE1 3.44Å; I289-F317 VanDerWaalsContact CG1-CE1 3.44Å; I289-F317 HydrophobicContact CG1-CE2 4.03Å; I289-F317 HydrophobicContact CG1-CG 3.47Å; I289-F317 VanDerWaalsContact CG1-CG 3.47Å; I289-F317 HydrophobicContact CG1-CZ 3.83Å; A292-F317 HydrophobicContact CB-CE1 3.95Å; A292-F317 HydrophobicContact CB-CZ 3.83Å; L305-F317 HydrophobicContact CD2-CE2 3.75Å; L305-F317 HydrophobicContact CD2-CZ 3.59Å; L308-F317 HydrophobicContact CD2-CD2 3.96Å; L308-F317 HydrophobicContact CD2-CE2 4.35Å; F314-F317 HydrophobicContact CB-CB 4.29Å; F314-F317 WeakPolarHBondContact O-CB 3.26Å; F314-F317 PolarHBondContact O-N 2.85Å; A315-F317 VanDerWaalsContact C-N 3.31Å; F317-A319 VanDerWaalsContact C-N 3.32Å; F317-A319 PolarHBondContact O-N 3.03Å; F317-Q320 PolarHBondContact O-N 2.82Å; F317-W321 HydrophobicContact CD1-CB 4Å; F317-W321 HydrophobicContact CE1-CB 3.65Å; F317-W321 HydrophobicContact CE1-CD2 4.36Å; F317-W321 AromaticContact CE1-CG 3.75Å; F317-W321 HydrophobicContact CE1-CG 3.75Å; F317-W321 HydrophobicContact CZ-CB 4.16Å; F317-W321 HydrophobicContact CZ-CG 4.18Å; F317-W321 VanDerWaalsContact O-CB 3.25Å; F317-W321 WeakPolarHBondContact O-CB 3.3Å; F317-W321 PolarHBondContact O-N 3.4Å
318A90.8Very high89.5Confident9 Ų971.4 Ų71.47%0.07438%0.381CS..Hα-helixtrans-57.9-44.2-179.100000112.2Q284 D285 A288 G316 W321 Q322Q284-A318 HydrophobicContact CB-CB 4.46Å; D285-A318 WeakPolarHBondContact OD1-CB 3.38Å; D285-A318 PolarHBondContact OD1-N 2.95Å; A288-A318 HydrophobicContact CB-CB 3.71Å; G316-A318 VanDerWaalsContact C-N 3.29Å; G316-A318 PolarHBondContact O-N 3.2Å; A318-W321 PolarHBondContact O-N 2.95Å; A318-Q322 WeakPolarHBondContact O-CB 3.41Å; A318-Q322 VanDerWaalsContact O-CG 3.32Å; A318-Q322 WeakPolarHBondContact O-CG 3.06Å; A318-Q322 PolarHBondContact O-N 3.4Å
319A90.5Very high89.2Confident69 Ų6976.7 Ų76.757%0.5741%0.405SS*.Hα-helixtrans-64.9-41.9179.400000112G316 F317 K323G316-A319 PolarHBondContact O-N 2.79Å; F317-A319 VanDerWaalsContact C-N 3.32Å; F317-A319 PolarHBondContact O-N 3.03Å; A319-K323 WeakPolarHBondContact O-CB 3.3Å; A319-K323 PolarHBondContact O-N 3.35Å
320Q91Very high89.1Confident145 Ų14580.3 Ų80.368%0.67842%0.42SS*.Hα-helixtrans-67.8-43.5177.6-66.3-174.210.300111.7G316 F317 K323 Q324G316-Q320 PolarHBondContact O-N 3.1Å; F317-Q320 PolarHBondContact O-N 2.82Å; Q320-K323 WeakPolarHBondContact O-CB 3.2Å; Q320-K323 PolarHBondContact O-N 2.9Å; Q320-Q324 PolarHBondContact O-N 3.39Å
321W90.7Very high88.8Confident24 Ų2481.5 Ų81.59%0.09141%0.414CS..Hα-helixtrans-67.1-42.2-178.1-175.565000112.2A288 E291 A292 R295 F317 A318 K323 Q324 L325A288-W321 HydrophobicContact CB-CD2 4.46Å; A288-W321 HydrophobicContact CB-CE3 3.73Å; A288-W321 HydrophobicContact CB-CZ3 4.25Å; E291-W321 HydrophobicContact CB-CH2 3.56Å; E291-W321 HydrophobicContact CB-CZ2 4.14Å; E291-W321 HydrophobicContact CB-CZ3 4.09Å; E291-W321 VanDerWaalsContact CD-CH2 3.47Å; E291-W321 HydrophobicContact CG-CH2 3.9Å; E291-W321 VanDerWaalsContact OE2-CH2 3.3Å; E291-W321 WeakPolarHBondContact OE2-CH2 3.3Å; E291-W321 WeakPolarHBondContact OE2-CZ3 3.18Å; A292-W321 HydrophobicContact CB-CZ2 4.31Å; R295-W321 VanDerWaalsContact NH1-CH2 3.32Å; F317-W321 HydrophobicContact CD1-CB 4Å; F317-W321 HydrophobicContact CE1-CB 3.65Å; F317-W321 HydrophobicContact CE1-CD2 4.36Å; F317-W321 AromaticContact CE1-CG 3.75Å; F317-W321 HydrophobicContact CE1-CG 3.75Å; F317-W321 HydrophobicContact CZ-CB 4.16Å; F317-W321 HydrophobicContact CZ-CG 4.18Å; F317-W321 VanDerWaalsContact O-CB 3.25Å; F317-W321 WeakPolarHBondContact O-CB 3.3Å; F317-W321 PolarHBondContact O-N 3.4Å; A318-W321 PolarHBondContact O-N 2.95Å; W321-K323 VanDerWaalsContact C-N 3.33Å; W321-K323 PolarHBondContact O-N 3.27Å; W321-Q324 WeakPolarHBondContact O-CB 3.42Å; W321-Q324 PolarHBondContact O-N 3.11Å; W321-L325 HydrophobicContact CD2-CD1 4Å; W321-L325 HydrophobicContact CE3-CD1 4.05Å; W321-L325 HydrophobicContact CH2-CD1 3.74Å; W321-L325 HydrophobicContact CZ2-CD1 3.73Å; W321-L325 HydrophobicContact CZ2-CG 4.46Å; W321-L325 HydrophobicContact CZ3-CD1 3.93Å; W321-L325 WeakPolarHBondContact O-CG 3.5Å; W321-L325 PolarHBondContact O-N 2.94Å
322Q90.9Very high88.5Confident112 Ų11286 Ų8652%0.52343%0.428SS..Hα-helixtrans-61.3-40.1172.1-74.6-179.1-2.100112.4A318 Q324 L325 R326A318-Q322 WeakPolarHBondContact O-CB 3.41Å; A318-Q322 VanDerWaalsContact O-CG 3.32Å; A318-Q322 WeakPolarHBondContact O-CG 3.06Å; A318-Q322 PolarHBondContact O-N 3.4Å; Q322-Q324 VanDerWaalsContact C-N 3.32Å; Q322-Q324 PolarHBondContact O-N 2.96Å; Q322-L325 PolarHBondContact O-N 2.81Å; Q322-R326 WeakPolarHBondContact O-CG 3.41Å; Q322-R326 PolarHBondContact O-N 3.12Å
323K91.8Very high88.1Confident141 Ų14188.7 Ų88.761%0.61344%0.44SS*.Hα-helixtrans-62.1-41.4175.2-173.2177.7-179.8178.60111.2A319 Q320 W321 R326 Q327A319-K323 WeakPolarHBondContact O-CB 3.3Å; A319-K323 PolarHBondContact O-N 3.35Å; Q320-K323 WeakPolarHBondContact O-CB 3.2Å; Q320-K323 PolarHBondContact O-N 2.9Å; W321-K323 VanDerWaalsContact C-N 3.33Å; W321-K323 PolarHBondContact O-N 3.27Å; K323-R326 PolarHBondContact O-N 3.18Å; K323-Q327 WeakPolarHBondContact O-CG 3.47Å; K323-Q327 PolarHBondContact O-N 3.18Å; K323-Q327 VanDerWaalsContact O-N 3.12Å
324Q90.3Very high87.6Confident102 Ų10287.7 Ų87.748%0.47745%0.447SS..Hα-helixtrans-65.5-42.9177.4-166.4-179.720.200112.1Q320 W321 Q322 R326 Q327 Q328Q320-Q324 PolarHBondContact O-N 3.39Å; W321-Q324 WeakPolarHBondContact O-CB 3.42Å; W321-Q324 PolarHBondContact O-N 3.11Å; Q322-Q324 VanDerWaalsContact C-N 3.32Å; Q322-Q324 PolarHBondContact O-N 2.96Å; Q324-R326 PolarHBondContact O-N 3.15Å; Q324-Q327 PolarHBondContact O-N 3.38Å; Q324-Q328 WeakPolarHBondContact O-CG 3.36Å; Q324-Q328 PolarHBondContact O-N 2.85Å
325L90.2Very high86.3Confident45 Ų4597.4 Ų97.424%0.23649%0.493CS..Hα-helixtrans-61-43.2175.7-73.9172000112.2W321 Q322 Q327 Q328 Q329W321-L325 HydrophobicContact CD2-CD1 4Å; W321-L325 HydrophobicContact CE3-CD1 4.05Å; W321-L325 HydrophobicContact CH2-CD1 3.74Å; W321-L325 HydrophobicContact CZ2-CD1 3.73Å; W321-L325 HydrophobicContact CZ2-CG 4.46Å; W321-L325 HydrophobicContact CZ3-CD1 3.93Å; W321-L325 WeakPolarHBondContact O-CG 3.5Å; W321-L325 PolarHBondContact O-N 2.94Å; Q322-L325 PolarHBondContact O-N 2.81Å; L325-Q327 VanDerWaalsContact C-N 3.34Å; L325-Q327 PolarHBondContact O-N 3.32Å; L325-Q328 PolarHBondContact O-N 3.12Å; L325-Q329 WeakPolarHBondContact O-CG 3.47Å; L325-Q329 PolarHBondContact O-N 3.14Å
326R90.2Very high86.2Confident171 Ų171100.6 Ų100.665%0.64550%0.504SS*.Hα-helixtrans-61-42.1175.9-74.6-179.1179.2-177.51112Q322 K323 Q324 Q328 Q329 Q330Q322-R326 WeakPolarHBondContact O-CG 3.41Å; Q322-R326 PolarHBondContact O-N 3.12Å; K323-R326 PolarHBondContact O-N 3.18Å; Q324-R326 PolarHBondContact O-N 3.15Å; R326-Q328 VanDerWaalsContact C-N 3.35Å; R326-Q328 PolarHBondContact O-N 3.06Å; R326-Q329 PolarHBondContact O-N 3.39Å; R326-Q330 WeakPolarHBondContact O-CG 3.37Å; R326-Q330 PolarHBondContact O-N 3.14Å
327Q89Confident86.1Confident93 Ų93104.2 Ų104.244%0.43551%0.513SS..Hα-helixtrans-63.3-40.4176.2-72.4176.81.500112K323 Q324 L325 Q330 Q331K323-Q327 WeakPolarHBondContact O-CG 3.47Å; K323-Q327 PolarHBondContact O-N 3.18Å; K323-Q327 VanDerWaalsContact O-N 3.12Å; Q324-Q327 PolarHBondContact O-N 3.38Å; L325-Q327 VanDerWaalsContact C-N 3.34Å; L325-Q327 PolarHBondContact O-N 3.32Å; Q327-Q330 PolarHBondContact O-N 3.21Å; Q327-Q331 WeakPolarHBondContact O-CG 3.24Å; Q327-Q331 PolarHBondContact O-N 3.11Å
328Q86.8Confident85.7Confident85 Ų85108.3 Ų108.340%0.39753%0.534SS..Hα-helixtrans-65.9-36.7176-71.2-176.938.600112.6Q324 L325 R326 K332Q324-Q328 WeakPolarHBondContact O-CG 3.36Å; Q324-Q328 PolarHBondContact O-N 2.85Å; L325-Q328 PolarHBondContact O-N 3.12Å; R326-Q328 VanDerWaalsContact C-N 3.35Å; R326-Q328 PolarHBondContact O-N 3.06Å; Q328-K332 WeakPolarHBondContact O-CG 3.34Å; Q328-K332 PolarHBondContact O-N 3.27Å; Q328-K332 VanDerWaalsContact O-N 3.15Å
329Q85.3Confident85.4Confident133 Ų133114.2 Ų114.262%0.62156%0.561SS**Hα-helixtrans-66.9-43.5175.5-72.4178.37.100111.7L325 R326 Q331 K332 S333L325-Q329 WeakPolarHBondContact O-CG 3.47Å; L325-Q329 PolarHBondContact O-N 3.14Å; R326-Q329 PolarHBondContact O-N 3.39Å; Q329-Q331 VanDerWaalsContact C-N 3.31Å; Q329-Q331 PolarHBondContact O-N 2.7Å; Q329-K332 PolarHBondContact O-N 2.78Å; Q329-S333 PolarHBondContact O-N 3.17Å; Q329-S333 PolarHBondContact O-OG 3.14Å
330Q86.6Confident85Confident124 Ų124117 Ų11758%0.57956%0.561SS**Hα-helixtrans-63.1-35.7177.1-72.7174.4-600112.9R326 Q327 S333 S334R326-Q330 WeakPolarHBondContact O-CG 3.37Å; R326-Q330 PolarHBondContact O-N 3.14Å; Q327-Q330 PolarHBondContact O-N 3.21Å; Q330-S333 PolarHBondContact O-OG 3.4Å; Q330-S333 VanDerWaalsContact O-OG 3.07Å; Q330-S334 PolarHBondContact O-N 2.88Å; Q330-S334 PolarHBondContact O-OG 3.25Å
331Q82.9Confident84.6Confident129 Ų129115.1 Ų115.160%0.60355%0.553SS**Hα-helixtrans-68.4-37.5174.8-73.6175.14.100112.1Q327 Q329 S334Q327-Q331 WeakPolarHBondContact O-CG 3.24Å; Q327-Q331 PolarHBondContact O-N 3.11Å; Q329-Q331 VanDerWaalsContact C-N 3.31Å; Q329-Q331 PolarHBondContact O-N 2.7Å; Q331-S334 PolarHBondContact O-N 3.05Å
332K80.6Confident84.2Confident141 Ų141121.6 Ų121.661%0.61359%0.586SS**Hα-helixtrans-72.2-30.1177.1-74.2-178.7-178.8-1760113.7Q328 Q329 S334Q328-K332 WeakPolarHBondContact O-CG 3.34Å; Q328-K332 PolarHBondContact O-N 3.27Å; Q328-K332 VanDerWaalsContact O-N 3.15Å; Q329-K332 PolarHBondContact O-N 2.78Å; K332-S334 VanDerWaalsContact C-N 3.29Å
333S79.2Confident83.7Confident95 Ų95122.4 Ų122.466%0.66459%0.591SS**THydrogen-bonded Turntrans-79.9-11176.462.30000113.6Q329 Q330Q329-S333 PolarHBondContact O-N 3.17Å; Q329-S333 PolarHBondContact O-OG 3.14Å; Q330-S333 PolarHBondContact O-OG 3.4Å; Q330-S333 VanDerWaalsContact O-OG 3.07Å
334S75.2Confident83Confident105 Ų105120.8 Ų120.873%0.73459%0.589SS**THydrogen-bonded Turntrans-99.91.5179.8-52.30000113.1Q330 Q331 K332Q330-S334 PolarHBondContact O-N 2.88Å; Q330-S334 PolarHBondContact O-OG 3.25Å; Q331-S334 PolarHBondContact O-N 3.05Å; K332-S334 VanDerWaalsContact C-N 3.29Å
335Q60.2Low82.4Confident227 Ų227122.5 Ų122.5100%1.06160%0.599SS**  trans-109.50174.6-73.4-172.4-15.500109.9

Retrieved 335 of 335 residues in 981.4 ms (Link to these results)

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