A0A096MET4_POEFO Loading...

Alcohol dehydrogenase 1-like

AlphaFold DB , UniProt , Accession A0A096MET4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 374 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
1M52.2Low92.4Very high234 Ų23488.9 Ų88.9100%1.15348%0.483SS*.  0138.60-65.9-175.1-168.700108
2S82.9Confident92.9Very high89 Ų8981.5 Ų81.562%0.62244%0.443SS*.  trans-73.2132.717866.60000111.1K6S2-K6 PolarHBondContact O-NZ 3.29Å
3T96.3Very high93.4Very high57 Ų5775.3 Ų75.335%0.3541%0.409SS..  trans-93.4-11.2178.440.10000112.9G5 K6 I8 R38 E76T3-G5 PolarHBondContact O-N 3.2Å; T3-K6 PolarHBondContact O-N 2.78Å; T3-K6 VanDerWaalsContact O-N 3.12Å; T3-I8 HydrophobicContact CG2-CD1 4.3Å; T3-I8 HydrophobicContact CG2-CG1 4.18Å; T3-R38 PolarHBondContact O-NH2 2.97Å; T3-E76 VanDerWaalsContact C-OE1 3.27Å; T3-E76 VanDerWaalsContact CB-OE1 3.25Å; T3-E76 WeakPolarHBondContact CB-OE1 3.48Å; T3-E76 PolarHBondContact OG1-OE1 2.82Å
4A96.6Very high93.7Very high52 Ų5269.9 Ų69.943%0.4338%0.38SS..THydrogen-bonded Turntrans-55.7133.7177.700000111.9K6 E76A4-K6 PolarHBondContact O-N 3.17Å; A4-E76 PolarHBondContact N-OE1 2.76Å; A4-E76 VanDerWaalsContact N-OE1 3.17Å
5G96.7Very high94Very high62 Ų6265.3 Ų65.364%0.63936%0.355SS*.THydrogen-bonded Turntrans73.62-178.800000115.5T3T3-G5 PolarHBondContact O-N 3.2Å
6K98.3Very high94.3Very high117 Ų11765.5 Ų65.551%0.50935%0.349SS..SBendtrans-115155.4-179.7-58.3175.5-174.9164.40111S2 T3 A4 R38S2-K6 PolarHBondContact O-NZ 3.29Å; T3-K6 PolarHBondContact O-N 2.78Å; T3-K6 VanDerWaalsContact O-N 3.12Å; A4-K6 PolarHBondContact O-N 3.17Å; K6-R38 PolarHBondContact O-NH1 3.45Å; K6-R38 PolarHBondContact O-NH2 2.85Å
7V98.6Very high94.4Very high83 Ų8363.9 Ų63.950%0.50335%0.347SS..PPolyproline II helixtrans-63136.1166.2177.60000109E28 V29V7-E28 HydrophobicContact CG1-CB 3.8Å; V7-E28 HydrophobicContact CG1-CG 4.21Å; V7-V29 WeakPolarHBondContact CA-O 3.43Å
8I98.8Very high94.5Very high12 Ų1261.6 Ų61.66%0.06234%0.336CS..EExtended strand (participates in β ladder)trans-102.5133.2171.1-70.3176.8000108.2T3 C10 E28 V29 R38 Y151T3-I8 HydrophobicContact CG2-CD1 4.3Å; T3-I8 HydrophobicContact CG2-CG1 4.18Å; I8-C10 HydrophobicContact CG2-CB 3.94Å; I8-E28 WeakPolarHBondContact O-CA 3.2Å; I8-V29 PolarHBondContact N-O 2.74Å; I8-V29 PolarHBondContact O-N 3.37Å; I8-R38 VanDerWaalsContact CD1-CZ 3.41Å; I8-Y151 HydrophobicContact CD1-CD1 3.8Å; I8-Y151 HydrophobicContact CD1-CE1 3.85Å; I8-Y151 HydrophobicContact CD1-CG 4.15Å; I8-Y151 HydrophobicContact CG2-CD2 3.81Å; I8-Y151 HydrophobicContact CG2-CE2 4.08Å; I8-Y151 HydrophobicContact CG2-CG 4.22Å
9R98.6Very high94.5Very high159 Ų15963.1 Ų63.160%0.634%0.344SS*.EExtended strand (participates in β ladder)trans-95.7123.6163.6-73.2180177.4-176.2-0.6108.6E26 I27 E28R9-E26 HydrophobicContact CB-CG 4.13Å; R9-E26 WeakPolarHBondContact CD-OE1 3.34Å; R9-I27 WeakPolarHBondContact CA-O 3.44Å; R9-E28 HydrophobicContact CG-CG 4.04Å; R9-E28 IonicContact CZ-OE1 3.02Å; R9-E28 IonicContact NE-OE1 2.58Å; R9-E28 PolarHBondContact NE-OE1 2.86Å; R9-E28 IonicContact NH2-OE1 3.03Å; R9-E28 PolarHBondContact NH2-OE1 3.35Å
10C98.6Very high94.6Very high7 Ų762.6 Ų62.65%0.04734%0.343CS..EExtended strand (participates in β ladder)trans-152.2171.1-177.669.20000111.2I8 E26 I27 E150 Y151I8-C10 HydrophobicContact CG2-CB 3.94Å; C10-E26 WeakPolarHBondContact O-CA 3.41Å; C10-I27 PolarHBondContact N-O 3.36Å; C10-I27 VanDerWaalsContact N-O 3.1Å; C10-I27 PolarHBondContact O-N 3.47Å; C10-E150 HydrophobicContact CB-CB 4.01Å; C10-E150 WeakPolarHBondContact CB-OE2 3.29Å; C10-Y151 HydrophobicContact CB-CD2 3.79Å; C10-Y151 HydrophobicContact CB-CE2 4.36Å
11R98.7Very high94.7Very high106 Ų10664.1 Ų64.140%0.436%0.356SS..EExtended strand (participates in β ladder)trans-83.9144.7-179.4-59.3177.9-62160.119.1111.2I24 E25 S149 E150 E354R11-I24 HydrophobicContact CB-CG2 4.43Å; R11-E25 WeakPolarHBondContact CA-O 3.25Å; R11-S149 PolarHBondContact O-OG 3.23Å; R11-E150 HydrophobicContact CB-CG 4.35Å; R11-E150 IonicContact CZ-OE1 3.06Å; R11-E150 VanDerWaalsContact CZ-OE1 3.31Å; R11-E150 PolarHBondContact N-OE2 2.77Å; R11-E150 IonicContact NE-OE1 2.64Å; R11-E150 PolarHBondContact NE-OE1 2.91Å; R11-E150 IonicContact NE-OE2 2.73Å; R11-E150 IonicContact NH2-OE1 3.99Å; R11-E150 PolarHBondContact NH2-OE1 2.8Å; R11-E150 PolarHBondContact O-N 2.84Å; R11-E354 IonicContact CZ-OE1 2.63Å; R11-E354 IonicContact NH1-OE1 2.75Å; R11-E354 PolarHBondContact NH1-OE1 2.9Å; R11-E354 IonicContact NH2-OE1 3.01Å; R11-E354 PolarHBondContact NH2-OE1 3.43Å
12A98.8Very high96.9Very high0 Ų053.2 Ų53.20%030%0.303CS..EExtended strand (participates in β ladder)trans-148.4153.3170.500000110.9V14 I24 E25 I27 V66 F148A12-V14 PolarHBondContact O-N 2.78Å; A12-I24 WeakPolarHBondContact O-CA 3.5Å; A12-E25 PolarHBondContact N-O 2.84Å; A12-E25 PolarHBondContact O-N 3.18Å; A12-I27 HydrophobicContact CB-CD1 3.58Å; A12-I27 HydrophobicContact CB-CG1 3.87Å; A12-I27 HydrophobicContact CB-CG2 3.92Å; A12-V66 HydrophobicContact CB-CG1 4.35Å; A12-V66 HydrophobicContact CB-CG2 4.02Å; A12-F148 WeakPolarHBondContact CA-O 3.29Å
13A98.7Very high97.6Very high1 Ų151.4 Ų51.41%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-85.2106.2167.100000109.2A22 T23 I24 F148 L353 V356A13-A22 HydrophobicContact CB-CB 4.08Å; A13-T23 WeakPolarHBondContact CA-O 3.25Å; A13-I24 HydrophobicContact CB-CD1 4.06Å; A13-F148 HydrophobicContact CB-CB 4.04Å; A13-F148 PolarHBondContact N-O 3.31Å; A13-L353 HydrophobicContact CB-CD1 4.4Å; A13-V356 HydrophobicContact CB-CB 4.35Å; A13-V356 HydrophobicContact CB-CG1 3.74Å; A13-V356 HydrophobicContact CB-CG2 4.28Å
14V98.7Very high97.7Very high0 Ų051.7 Ų51.70%029%0.287CS..EExtended strand (participates in β ladder)trans-98.4120.4179.4-1770000109.3A12 W16 T23 E25 I27 P64 V66 I139A12-V14 PolarHBondContact O-N 2.78Å; V14-W16 HydrophobicContact CG1-CD2 4.06Å; V14-W16 HydrophobicContact CG1-CG 4.38Å; V14-W16 HydrophobicContact CG1-CZ2 4.11Å; V14-T23 PolarHBondContact N-O 2.82Å; V14-T23 PolarHBondContact O-N 2.98Å; V14-T23 PolarHBondContact O-OG1 3.17Å; V14-E25 HydrophobicContact CB-CG 4.04Å; V14-E25 HydrophobicContact CG2-CB 3.87Å; V14-E25 HydrophobicContact CG2-CG 3.96Å; V14-I27 HydrophobicContact CG2-CG2 3.82Å; V14-P64 HydrophobicContact CG1-CB 4.41Å; V14-V66 HydrophobicContact CG2-CG2 4.1Å; V14-I139 HydrophobicContact CG1-CD1 4.29Å; V14-I139 HydrophobicContact CG1-CG2 4.26Å
15S98.2Very high97.8Very high1 Ų150.7 Ų50.71%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-88.2111.5167.5-62.40000108.4P64 T65S15-P64 CarbonylContact O-C 3.55Å; S15-P64 VanDerWaalsContact O-CA 3.27Å; S15-P64 WeakPolarHBondContact O-CA 3.14Å; S15-T65 PolarHBondContact N-O 3Å; S15-T65 PolarHBondContact O-N 2.71Å
16W97.8Very high97.9Very high68 Ų6853.6 Ų53.626%0.25827%0.27SS..  trans-81.8-28.9-175.1-73.9102000113.8V14 T23 E25 P64 C134 K135 K137 I139V14-W16 HydrophobicContact CG1-CD2 4.06Å; V14-W16 HydrophobicContact CG1-CG 4.38Å; V14-W16 HydrophobicContact CG1-CZ2 4.11Å; W16-T23 PolarHBondContact NE1-OG1 3.39Å; W16-E25 HydrophobicContact CZ2-CG 4.31Å; W16-E25 PolarHBondContact NE1-OE1 3.24Å; W16-P64 HydrophobicContact CD2-CB 4.37Å; W16-P64 HydrophobicContact CE3-CB 3.65Å; W16-P64 HydrophobicContact CE3-CG 4.15Å; W16-P64 HydrophobicContact CZ3-CB 4.05Å; W16-P64 HydrophobicContact CZ3-CG 4.13Å; W16-C134 HydrophobicContact CH2-CB 4.3Å; W16-K135 HydrophobicContact CH2-CD 4.21Å; W16-K135 HydrophobicContact CZ2-CD 4.06Å; W16-K137 HydrophobicContact CZ3-CD 4.15Å; W16-I139 HydrophobicContact CH2-CD1 4.08Å; W16-I139 HydrophobicContact CZ3-CD1 4.04Å
17A96.9Very high97.9Very high38 Ų3848 Ų4831%0.31425%0.246SC..SBendtrans-151.9159.6-178.400000110.5T20A17-T20 HydrophobicContact CB-CG2 4.18Å; A17-T20 PolarHBondContact O-OG1 3.5Å
18P95.8Very high97.9Very high23 Ų2347.4 Ų47.415%0.14924%0.238CC..THydrogen-bonded Turntrans-54.9147.5170.9-21.730.8000112.3T20 M58 E60 F63P18-T20 PolarHBondContact O-N 2.74Å; P18-T20 VanDerWaalsContact O-N 3.12Å; P18-M58 HydrophobicContact CB-CB 3.81Å; P18-M58 HydrophobicContact CB-CE 3.71Å; P18-M58 HydrophobicContact CB-CG 3.99Å; P18-M58 HydrophobicContact CG-CB 4.46Å; P18-E60 HydrophobicContact CG-CG 4.27Å; P18-F63 HydrophobicContact CB-CE2 4.11Å; P18-F63 HydrophobicContact CB-CZ 4.33Å; P18-F63 HydrophobicContact CG-CD2 3.63Å; P18-F63 HydrophobicContact CG-CE2 3.61Å; P18-F63 HydrophobicContact CG-CG 4.31Å; P18-F63 HydrophobicContact CG-CZ 4.25Å
19N95.2Very high97.9Very high90 Ų9046.9 Ų46.948%0.48124%0.235SC..THydrogen-bonded Turntrans52.233.7175.5-168.838.9000114.1L54 M58N19-L54 WeakPolarHBondContact CA-O 3.21Å; N19-L54 PolarHBondContact N-O 3.01Å; N19-M58 HydrophobicContact CB-CE 3.57Å; N19-M58 HydrophobicContact CB-SD 4.14Å
20T95.6Very high97.9Very high53 Ų5340.7 Ų40.733%0.32522%0.218SC..SBendtrans-123.4143.7173620000110.5A17 P18A17-T20 HydrophobicContact CB-CG2 4.18Å; A17-T20 PolarHBondContact O-OG1 3.5Å; P18-T20 PolarHBondContact O-N 2.74Å; P18-T20 VanDerWaalsContact O-N 3.12Å
21P96.6Very high97.9Very high94 Ų9442.2 Ų42.261%0.6123%0.227SC*.  trans-55.4142.5173.5-25.334.6000111.4
22A97.7Very high97.9Very high5 Ų537.9 Ų37.94%0.04121%0.213CC..  trans-67.1146.7173.300000110A13 V356 N357A13-A22 HydrophobicContact CB-CB 4.08Å; A22-V356 HydrophobicContact CB-CG1 4.25Å; A22-N357 PolarHBondContact N-OD1 3.28Å; A22-N357 PolarHBondContact O-ND2 2.97Å
23T98.4Very high97.9Very high51 Ų5142.9 Ų42.931%0.31324%0.236SC..EExtended strand (participates in β ladder)trans-108.6135.7176.3550000109.8A13 V14 W16 E25A13-T23 WeakPolarHBondContact CA-O 3.25Å; V14-T23 PolarHBondContact N-O 2.82Å; V14-T23 PolarHBondContact O-N 2.98Å; V14-T23 PolarHBondContact O-OG1 3.17Å; W16-T23 PolarHBondContact NE1-OG1 3.39Å; T23-E25 PolarHBondContact O-N 2.82Å; T23-E25 WeakPolarHBondContact OG1-CG 3.24Å; T23-E25 PolarHBondContact OG1-OE1 2.84Å
24I98.6Very high97.8Very high63 Ų6346.3 Ų46.332%0.32327%0.265SS..EExtended strand (participates in β ladder)trans-76.9112.8172.3-54.5-59.5000108R11 A12 A13 L353 V356R11-I24 HydrophobicContact CB-CG2 4.43Å; A12-I24 WeakPolarHBondContact O-CA 3.5Å; A13-I24 HydrophobicContact CB-CD1 4.06Å; I24-L353 HydrophobicContact CD1-CG 4.4Å; I24-L353 WeakPolarHBondContact CD1-O 3.31Å; I24-V356 HydrophobicContact CD1-CG1 4.17Å
25E98.6Very high97.7Very high32 Ų3246.8 Ų46.815%0.1527%0.27CS..EExtended strand (participates in β ladder)trans-120.6152.9-177-61.4-78-171.200110R11 A12 V14 W16 T23 I27 K135R11-E25 WeakPolarHBondContact CA-O 3.25Å; A12-E25 PolarHBondContact N-O 2.84Å; A12-E25 PolarHBondContact O-N 3.18Å; V14-E25 HydrophobicContact CB-CG 4.04Å; V14-E25 HydrophobicContact CG2-CB 3.87Å; V14-E25 HydrophobicContact CG2-CG 3.96Å; W16-E25 HydrophobicContact CZ2-CG 4.31Å; W16-E25 PolarHBondContact NE1-OE1 3.24Å; T23-E25 PolarHBondContact O-N 2.82Å; T23-E25 WeakPolarHBondContact OG1-CG 3.24Å; T23-E25 PolarHBondContact OG1-OE1 2.84Å; E25-I27 HydrophobicContact CB-CG2 4.33Å; E25-K135 IonicContact OE1-NZ 2.84Å; E25-K135 PolarHBondContact OE1-NZ 3.02Å; E25-K135 WeakPolarHBondContact OE2-CE 3.45Å; E25-K135 IonicContact OE2-NZ 3.78Å; E25-K135 PolarHBondContact OE2-NZ 2.54Å
26E98.7Very high97.7Very high122 Ų12247.8 Ų47.857%0.5728%0.275SS*.EExtended strand (participates in β ladder)trans-79.1123.3159.5-173.1179.892.300108.4R9 C10 C134R9-E26 HydrophobicContact CB-CG 4.13Å; R9-E26 WeakPolarHBondContact CD-OE1 3.34Å; C10-E26 WeakPolarHBondContact O-CA 3.41Å; E26-C134 PolarHBondContact O-SG 3.29Å
27I98.8Very high97.7Very high1 Ų144.5 Ų44.51%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-115.2156.7177.570.4162000110.7R9 C10 A12 V14 E25 V29 F132 C134R9-I27 WeakPolarHBondContact CA-O 3.44Å; C10-I27 PolarHBondContact N-O 3.36Å; C10-I27 VanDerWaalsContact N-O 3.1Å; C10-I27 PolarHBondContact O-N 3.47Å; A12-I27 HydrophobicContact CB-CD1 3.58Å; A12-I27 HydrophobicContact CB-CG1 3.87Å; A12-I27 HydrophobicContact CB-CG2 3.92Å; V14-I27 HydrophobicContact CG2-CG2 3.82Å; E25-I27 HydrophobicContact CB-CG2 4.33Å; I27-V29 HydrophobicContact CD1-CG2 3.73Å; I27-V29 HydrophobicContact CG1-CG2 3.98Å; I27-F132 HydrophobicContact CD1-CB 4.46Å; I27-F132 HydrophobicContact CD1-CD1 3.9Å; I27-F132 HydrophobicContact CD1-CD2 4.23Å; I27-F132 HydrophobicContact CD1-CE1 4.09Å; I27-F132 HydrophobicContact CD1-CE2 4.38Å; I27-F132 HydrophobicContact CD1-CG 3.97Å; I27-F132 HydrophobicContact CD1-CZ 4.33Å; I27-C134 HydrophobicContact CB-CB 4.49Å; I27-C134 HydrophobicContact CG2-CB 3.91Å
28E98.8Very high97.8Very high70 Ų7042.7 Ų42.733%0.32725%0.247SC..EExtended strand (participates in β ladder)trans-99.3119170.5-67.4-178.2162.200109.4V7 I8 R9 F132 T133V7-E28 HydrophobicContact CG1-CB 3.8Å; V7-E28 HydrophobicContact CG1-CG 4.21Å; I8-E28 WeakPolarHBondContact O-CA 3.2Å; R9-E28 HydrophobicContact CG-CG 4.04Å; R9-E28 IonicContact CZ-OE1 3.02Å; R9-E28 IonicContact NE-OE1 2.58Å; R9-E28 PolarHBondContact NE-OE1 2.86Å; R9-E28 IonicContact NH2-OE1 3.03Å; R9-E28 PolarHBondContact NH2-OE1 3.35Å; E28-F132 WeakPolarHBondContact O-CA 3.37Å; E28-T133 PolarHBondContact N-O 3.25Å; E28-T133 PolarHBondContact O-N 2.84Å
29V98.8Very high98Very high0 Ų041.6 Ų41.60%024%0.24CC..EExtended strand (participates in β ladder)trans-105.1110.6177.1-175.50000109V7 I8 I27 R131 F132 V153V7-V29 WeakPolarHBondContact CA-O 3.43Å; I8-V29 PolarHBondContact N-O 2.74Å; I8-V29 PolarHBondContact O-N 3.37Å; I27-V29 HydrophobicContact CD1-CG2 3.73Å; I27-V29 HydrophobicContact CG1-CG2 3.98Å; V29-R131 WeakPolarHBondContact CA-O 3.44Å; V29-F132 HydrophobicContact CB-CD1 4.34Å; V29-F132 HydrophobicContact CB-CE1 4.29Å; V29-F132 HydrophobicContact CG1-CD1 4.14Å; V29-F132 HydrophobicContact CG1-CE1 3.81Å; V29-F132 HydrophobicContact CG2-CD1 3.81Å; V29-F132 HydrophobicContact CG2-CE1 3.67Å; V29-V153 HydrophobicContact CG1-CG2 3.79Å
30A98.6Very high98.1Very high29 Ų2942.2 Ų42.224%0.2424%0.238CC..PPolyproline II helixtrans-60.8155.5178.400000111.9R38 R131 V153A30-R38 PolarHBondContact O-NH1 3.44Å; A30-R131 HydrophobicContact CB-CB 4.13Å; A30-R131 PolarHBondContact N-O 2.84Å; A30-V153 WeakPolarHBondContact O-CG2 3.5Å
31P98.5Very high98.3Very high39 Ų3940.5 Ų40.525%0.25323%0.227SC..PPolyproline II helixtrans-64.5155170.628.9-35.1000111.6
32P98.2Very high98.4Very high16 Ų1639.9 Ų39.910%0.10422%0.221CC..PPolyproline II helixtrans-66.2134.9178.627.2-32.2000111.5E36 R38 V153P32-E36 HydrophobicContact CB-CB 3.78Å; P32-E36 WeakPolarHBondContact CB-O 3.41Å; P32-R38 HydrophobicContact CB-CB 4.41Å; P32-R38 HydrophobicContact CG-CB 4.07Å; P32-V153 HydrophobicContact CB-CG1 4.08Å
33Q97.9Very high98.4Very high104 Ų10440.6 Ų40.649%0.48623%0.227SC..  trans-86.2-173.8172.2-58.4-172.54.200111.6G35 E36 G79 R131Q33-G35 PolarHBondContact O-N 3.42Å; Q33-E36 HydrophobicContact CB-CG 4.44Å; Q33-E36 WeakPolarHBondContact CB-OE2 3.25Å; Q33-E36 PolarHBondContact N-OE2 2.82Å; Q33-E36 WeakPolarHBondContact O-CB 3.06Å; Q33-E36 PolarHBondContact O-N 2.73Å; Q33-G79 WeakPolarHBondContact O-CA 3.42Å; Q33-R131 VanDerWaalsContact CD-CZ 3.48Å; Q33-R131 VanDerWaalsContact OE1-NH2 3.12Å
34A97.5Very high98.4Very high73 Ų7340.4 Ų40.460%0.60323%0.226SC*.THydrogen-bonded Turntrans-55.5126.6-179.100000111.8E36 P80A34-E36 VanDerWaalsContact C-N 3.27Å; A34-E36 PolarHBondContact O-N 2.81Å; A34-P80 CarbonylContact C-O 3.6Å; A34-P80 VanDerWaalsContact CA-O 3.25Å; A34-P80 WeakPolarHBondContact CA-O 3.34Å; A34-P80 HydrophobicContact CB-CB 4.36Å
35G96.3Very high98.3Very high11 Ų1138.4 Ų38.411%0.11322%0.218CC..THydrogen-bonded Turntrans73.112.1-177.200000115.3Q33 P80 Q156Q33-G35 PolarHBondContact O-N 3.42Å; G35-P80 PolarHBondContact N-O 3.18Å; G35-Q156 WeakPolarHBondContact O-CB 3.4Å; G35-Q156 WeakPolarHBondContact O-CG 3.27Å; G35-Q156 PolarHBondContact O-N 3.12Å
36E98.1Very high98.2Very high21 Ų2138.3 Ų38.310%0.09822%0.219CC..EExtended strand (participates in β ladder)trans-108.3155.1177.9-56.9-174.9148.900112.6P32 Q33 A34 G79 V82 R131 V153 I154P32-E36 HydrophobicContact CB-CB 3.78Å; P32-E36 WeakPolarHBondContact CB-O 3.41Å; Q33-E36 HydrophobicContact CB-CG 4.44Å; Q33-E36 WeakPolarHBondContact CB-OE2 3.25Å; Q33-E36 PolarHBondContact N-OE2 2.82Å; Q33-E36 WeakPolarHBondContact O-CB 3.06Å; Q33-E36 PolarHBondContact O-N 2.73Å; A34-E36 VanDerWaalsContact C-N 3.27Å; A34-E36 PolarHBondContact O-N 2.81Å; E36-G79 PolarHBondContact O-N 2.63Å; E36-V82 WeakPolarHBondContact O-CG2 3.35Å; E36-R131 VanDerWaalsContact CD-NH2 3.28Å; E36-R131 IonicContact OE1-CZ 2.84Å; E36-R131 VanDerWaalsContact OE1-CZ 3.28Å; E36-R131 IonicContact OE1-NE 3.45Å; E36-R131 PolarHBondContact OE1-NE 3.29Å; E36-R131 IonicContact OE1-NH2 2.63Å; E36-R131 PolarHBondContact OE1-NH2 2.65Å; E36-R131 IonicContact OE2-CZ 3.22Å; E36-R131 IonicContact OE2-NE 2.68Å; E36-R131 PolarHBondContact OE2-NE 3.43Å; E36-R131 IonicContact OE2-NH2 2.81Å; E36-R131 PolarHBondContact OE2-NH2 2.73Å; E36-V153 HydrophobicContact CB-CG1 3.82Å; E36-V153 HydrophobicContact CG-CG1 4.41Å; E36-V153 WeakPolarHBondContact OE2-CG1 3.37Å; E36-I154 CarbonylContact C-O 3.59Å; E36-I154 WeakPolarHBondContact CA-O 3.38Å
37V98.5Very high98Very high0 Ų033.1 Ų33.10%020%0.197CC..EExtended strand (participates in β ladder)trans-126.7131.8178.8-175.70000107.6I39 V75 V78 V82 F85 V153 I154 Q156V37-I39 HydrophobicContact CG1-CG1 3.95Å; V37-V75 HydrophobicContact CG1-CB 4.31Å; V37-V75 HydrophobicContact CG1-CG1 3.65Å; V37-V75 HydrophobicContact CG1-CG2 3.83Å; V37-V78 HydrophobicContact CG1-CG1 4.21Å; V37-V78 HydrophobicContact CG2-CG1 4.36Å; V37-V82 HydrophobicContact CG2-CG1 4.05Å; V37-V82 HydrophobicContact CG2-CG2 4.31Å; V37-F85 HydrophobicContact CG2-CB 4.34Å; V37-F85 HydrophobicContact CG2-CD2 3.9Å; V37-F85 HydrophobicContact CG2-CG 4.2Å; V37-V153 WeakPolarHBondContact O-CA 3.36Å; V37-I154 PolarHBondContact N-O 3.4Å; V37-I154 PolarHBondContact O-N 2.85Å; V37-Q156 HydrophobicContact CG2-CB 4.03Å
38R98.8Very high97.7Very high0 Ų035.9 Ų35.90%021%0.209CC..EExtended strand (participates in β ladder)trans-97.9127.2169.8-170.2163.562.7-174.42.2109.7T3 K6 I8 A30 P32 E76 S77 T152 V153T3-R38 PolarHBondContact O-NH2 2.97Å; K6-R38 PolarHBondContact O-NH1 3.45Å; K6-R38 PolarHBondContact O-NH2 2.85Å; I8-R38 VanDerWaalsContact CD1-CZ 3.41Å; A30-R38 PolarHBondContact O-NH1 3.44Å; P32-R38 HydrophobicContact CB-CB 4.41Å; P32-R38 HydrophobicContact CG-CB 4.07Å; R38-E76 IonicContact CZ-OE2 2.87Å; R38-E76 IonicContact NE-OE2 3.47Å; R38-E76 PolarHBondContact NE-OE2 3.4Å; R38-E76 IonicContact NH2-OE1 3.31Å; R38-E76 PolarHBondContact NH2-OE1 2.84Å; R38-E76 IonicContact NH2-OE2 3.23Å; R38-E76 PolarHBondContact NH2-OE2 3.01Å; R38-E76 PolarHBondContact O-N 3.26Å; R38-S77 PolarHBondContact N-O 3.07Å; R38-S77 PolarHBondContact O-N 3Å; R38-T152 CarbonylContact C-O 3.54Å; R38-T152 VanDerWaalsContact CA-O 3.31Å; R38-T152 WeakPolarHBondContact CA-O 3.46Å; R38-T152 WeakPolarHBondContact CG-O 3.4Å; R38-V153 HydrophobicContact CB-CG2 4Å; R38-V153 HydrophobicContact CG-CG2 3.8Å
39I98.9Very high97.4Very high0 Ų033.7 Ų33.70%020%0.202CC..EExtended strand (participates in β ladder)trans-118.9130.7-173.5-55-178000108.4V37 I41 A91 P93 Y151 T152 I154 V159V37-I39 HydrophobicContact CG1-CG1 3.95Å; I39-I41 HydrophobicContact CG2-CD1 4.11Å; I39-A91 HydrophobicContact CD1-CB 4.15Å; I39-P93 HydrophobicContact CD1-CG 4.3Å; I39-Y151 VanDerWaalsContact O-CA 3.31Å; I39-Y151 WeakPolarHBondContact O-CA 3.46Å; I39-T152 HydrophobicContact CB-CG2 4.41Å; I39-T152 PolarHBondContact N-O 3.15Å; I39-T152 PolarHBondContact O-N 2.81Å; I39-I154 HydrophobicContact CD1-CD1 4.09Å; I39-V159 HydrophobicContact CD1-CG1 3.76Å; I39-V159 HydrophobicContact CD1-CG2 4.1Å
40K98.9Very high97.1Very high102 Ų10233.8 Ų33.844%0.44320%0.202SC..EExtended strand (participates in β ladder)trans-79.1112.6163.6-174.3-179.5-178.7-179.70108.2G73 I74 E150 Y151K40-G73 CarbonylContact O-C 3.57Å; K40-G73 WeakPolarHBondContact O-CA 3.47Å; K40-I74 PolarHBondContact N-O 3.44Å; K40-I74 PolarHBondContact O-N 2.85Å; K40-E150 CarbonylContact C-O 3.56Å; K40-E150 WeakPolarHBondContact CA-O 3.4Å; K40-Y151 HydrophobicContact CB-CD1 3.93Å; K40-Y151 HydrophobicContact CB-CE1 3.51Å; K40-Y151 HydrophobicContact CD-CE1 4.21Å; K40-Y151 HydrophobicContact CG-CD1 4.33Å; K40-Y151 HydrophobicContact CG-CE1 3.74Å; K40-Y151 HydrophobicContact CG-CE2 4.32Å
41I98.9Very high96.9Very high18 Ų1832.5 Ų32.59%0.09219%0.191CC..EExtended strand (participates in β ladder)trans-72.6133.4178.6-58.2-58.7000108.9I39 P93 T147 S149 E150 T152I39-I41 HydrophobicContact CG2-CD1 4.11Å; I41-P93 HydrophobicContact CD1-CG 4.15Å; I41-T147 HydrophobicContact CD1-CG2 4.22Å; I41-S149 VanDerWaalsContact CB-O 3.29Å; I41-S149 WeakPolarHBondContact CB-O 3.32Å; I41-S149 VanDerWaalsContact CG1-O 3.29Å; I41-S149 WeakPolarHBondContact CG1-O 3.31Å; I41-E150 PolarHBondContact N-O 3.44Å; I41-T152 HydrophobicContact CD1-CG2 3.78Å; I41-T152 HydrophobicContact CG1-CG2 4.11Å
42V98.7Very high96.6Very high80 Ų8030.9 Ų30.949%0.48518%0.18SC..EExtended strand (participates in β ladder)trans-105.7-40.8178.5173.60000110.4A72 I74 L168V42-A72 PolarHBondContact N-O 2.93Å; V42-I74 HydrophobicContact CG2-CD1 4.23Å; V42-I74 HydrophobicContact CG2-CG1 4.19Å; V42-L168 HydrophobicContact CB-CB 4.16Å; V42-L168 HydrophobicContact CB-CD1 3.74Å; V42-L168 HydrophobicContact CG1-CB 4Å; V42-L168 HydrophobicContact CG1-CD1 3.99Å; V42-L168 HydrophobicContact CG2-CD1 3.66Å
43A98.4Very high96.4Very high20 Ų2030.1 Ų30.117%0.16518%0.175CC..EExtended strand (participates in β ladder)trans-144.9151.2175.900000110.4G71 A72 D169 C172A43-G71 CarbonylContact O-C 3.58Å; A43-G71 WeakPolarHBondContact O-CA 3.45Å; A43-A72 PolarHBondContact N-O 2.86Å; A43-A72 VanDerWaalsContact N-O 3.14Å; A43-A72 PolarHBondContact O-N 3.24Å; A43-D169 HydrophobicContact CB-CB 4.37Å; A43-C172 HydrophobicContact CB-CB 4.46Å
44T98.4Very high96.2Very high47 Ų4725.3 Ų25.329%0.28815%0.153SC..EExtended strand (participates in β ladder)trans-147.1142174.2-177.70000109.2E70 T147 F148T44-E70 CarbonylContact C-O 3.46Å; T44-E70 WeakPolarHBondContact CA-O 3.36Å; T44-E70 PolarHBondContact OG1-O 3.26Å; T44-T147 PolarHBondContact OG1-OG1 3.15Å; T44-F148 HydrophobicContact CG2-CD1 3.74Å; T44-F148 HydrophobicContact CG2-CE1 4.11Å
45S96.4Very high95.9Very high21 Ų2123.7 Ų23.715%0.14713%0.134CC..EExtended strand (participates in β ladder)trans-98.4150.9170.744.20000110.9E70S45-E70 PolarHBondContact N-O 2.88Å; S45-E70 WeakPolarHBondContact OG-CB 3.34Å; S45-E70 PolarHBondContact OG-O 2.85Å; S45-E70 PolarHBondContact OG-OE2 3.4Å
46V95.4Very high95.5Very high31 Ų3127.5 Ų27.519%0.18815%0.148CC..  trans-82.9136.5166.7-177.50000107.8L51 F148 A359 I360 M363V46-L51 HydrophobicContact CG1-CD1 3.71Å; V46-F148 HydrophobicContact CB-CZ 4.4Å; V46-F148 HydrophobicContact CG1-CZ 4.5Å; V46-F148 HydrophobicContact CG2-CE1 4.35Å; V46-F148 HydrophobicContact CG2-CZ 3.91Å; V46-A359 HydrophobicContact CG2-CB 3.78Å; V46-I360 HydrophobicContact CG1-CG1 4.14Å; V46-M363 HydrophobicContact CB-CE 4.14Å; V46-M363 HydrophobicContact CG1-CE 4.04Å; V46-M363 HydrophobicContact CG1-SD 3.95Å; V46-M363 WeakPolarHBondContact O-CE 3.29Å
47C94.5Very high94.9Very high13 Ų1327 Ų279%0.08815%0.148CC..  trans-127.3154.9178.2177.30000110.8S49 D50 L51 H69 E70C47-S49 PolarHBondContact O-N 3.01Å; C47-S49 VanDerWaalsContact O-N 3.14Å; C47-D50 WeakPolarHBondContact CB-OD2 3.21Å; C47-D50 PolarHBondContact N-OD2 2.89Å; C47-D50 WeakPolarHBondContact O-CB 3.33Å; C47-D50 PolarHBondContact O-N 2.77Å; C47-L51 PolarHBondContact O-N 3.3Å; C47-H69 VanDerWaalsContact CB-CE1 3.46Å; C47-H69 WeakPolarHBondContact CB-CE1 3.23Å; C47-E70 HydrophobicContact CB-CG 4.22Å; C47-E70 WeakPolarHBondContact CB-OE1 3.31Å; C47-E70 PolarHBondContact SG-OE1 2.79Å
48H92.5Very high94.1Very high59 Ų5930.7 Ų30.727%0.27317%0.166SC..Hα-helixtrans-57.6-31179.4-178.977.9000111.7D50 L51 Y52 E56 M363 Q367H48-D50 VanDerWaalsContact C-N 3.26Å; H48-D50 PolarHBondContact O-N 3.25Å; H48-L51 CarbonylContact O-C 3.54Å; H48-L51 WeakPolarHBondContact O-CB 3.41Å; H48-L51 PolarHBondContact O-N 3.29Å; H48-L51 VanDerWaalsContact O-N 3.1Å; H48-Y52 WeakPolarHBondContact O-CB 3.49Å; H48-Y52 PolarHBondContact O-N 2.68Å; H48-E56 IonicContact CE1-OE1 3.01Å; H48-E56 PolarHBondContact CE1-OE1 3.5Å; H48-E56 VanDerWaalsContact CE1-OE1 3.29Å; H48-E56 IonicContact NE2-OE1 3.4Å; H48-M363 HydrophobicContact CB-SD 4.47Å; H48-M363 PolarHBondContact N-SD 2.8Å; H48-M363 VanDerWaalsContact N-SD 3.38Å; H48-Q367 PolarHBondContact CE1-OE1 3.46Å; H48-Q367 VanDerWaalsContact ND1-CD 3.29Å; H48-Q367 PolarHBondContact ND1-NE2 2.89Å; H48-Q367 PolarHBondContact ND1-OE1 3.27Å
49S92.2Very high93.5Very high24 Ų2432.9 Ų32.917%0.16818%0.179CC..Hα-helixtrans-65.9-25.1175.7-57.30000114C47 H53C47-S49 PolarHBondContact O-N 3.01Å; C47-S49 VanDerWaalsContact O-N 3.14Å; S49-H53 PolarHBondContact O-N 3.37Å
50D94.3Very high93.1Very high1 Ų140.3 Ų40.31%0.00521%0.214CC..Hα-helixtrans-70.5-40.9171.3-53.5-66.1000110.2C47 H48 L54 G68 H69 F142 F148C47-D50 WeakPolarHBondContact CB-OD2 3.21Å; C47-D50 PolarHBondContact N-OD2 2.89Å; C47-D50 WeakPolarHBondContact O-CB 3.33Å; C47-D50 PolarHBondContact O-N 2.77Å; H48-D50 VanDerWaalsContact C-N 3.26Å; H48-D50 PolarHBondContact O-N 3.25Å; D50-L54 WeakPolarHBondContact O-CB 3.45Å; D50-L54 PolarHBondContact O-N 2.89Å; D50-L54 VanDerWaalsContact O-N 3.12Å; D50-G68 WeakPolarHBondContact OD1-CA 3.39Å; D50-G68 PolarHBondContact OD1-N 3.33Å; D50-H69 IonicContact OD1-CE1 2.67Å; D50-H69 IonicContact OD1-ND1 2.82Å; D50-H69 PolarHBondContact OD1-ND1 2.96Å; D50-H69 IonicContact OD2-CE1 3.59Å; D50-H69 IonicContact OD2-ND1 3.29Å; D50-F142 WeakPolarHBondContact OD1-CE1 3.49Å; D50-F148 HydrophobicContact CB-CE2 4.48Å; D50-F148 HydrophobicContact CB-CZ 4.44Å
51L94.3Very high92.7Very high3 Ų341.4 Ų41.42%0.01623%0.225CC..Hα-helixtrans-66.9-41.4174.8-8564.4000111.7V46 C47 H48 H53 L54 L55 I360 M363 R364V46-L51 HydrophobicContact CG1-CD1 3.71Å; C47-L51 PolarHBondContact O-N 3.3Å; H48-L51 CarbonylContact O-C 3.54Å; H48-L51 WeakPolarHBondContact O-CB 3.41Å; H48-L51 PolarHBondContact O-N 3.29Å; H48-L51 VanDerWaalsContact O-N 3.1Å; L51-H53 VanDerWaalsContact C-N 3.32Å; L51-H53 PolarHBondContact O-N 3.34Å; L51-L54 PolarHBondContact O-N 3.09Å; L51-L54 VanDerWaalsContact O-N 3.13Å; L51-L55 HydrophobicContact CB-CD1 4.35Å; L51-L55 HydrophobicContact CG-CD1 4.2Å; L51-L55 WeakPolarHBondContact O-CA 3.39Å; L51-L55 VanDerWaalsContact O-CB 3.3Å; L51-L55 WeakPolarHBondContact O-CB 3.45Å; L51-L55 PolarHBondContact O-N 2.99Å; L51-I360 HydrophobicContact CD1-CB 4.4Å; L51-I360 HydrophobicContact CD1-CG1 4.15Å; L51-I360 HydrophobicContact CD1-CG2 4.02Å; L51-I360 HydrophobicContact CG-CG2 4.07Å; L51-M363 HydrophobicContact CD1-CG 4.43Å; L51-M363 HydrophobicContact CD1-SD 3.96Å; L51-M363 HydrophobicContact CD2-CB 4Å; L51-M363 HydrophobicContact CD2-CG 3.77Å; L51-M363 HydrophobicContact CD2-SD 4.2Å; L51-R364 HydrophobicContact CD2-CB 4.22Å
52Y91.6Very high92.4Very high4 Ų440.6 Ų40.62%0.01622%0.22CC..Iπ-helixtrans-54.4-49.9177.5179.3-98.1000111H48 E56 S57 M125 W296 D298 M299H48-Y52 WeakPolarHBondContact O-CB 3.49Å; H48-Y52 PolarHBondContact O-N 2.68Å; Y52-E56 HydrophobicContact CD2-CB 3.92Å; Y52-E56 HydrophobicContact CD2-CG 4.47Å; Y52-E56 WeakPolarHBondContact CD2-OE2 3.41Å; Y52-E56 HydrophobicContact CE2-CB 4.24Å; Y52-E56 WeakPolarHBondContact O-CA 3.37Å; Y52-E56 WeakPolarHBondContact O-CB 3.11Å; Y52-E56 PolarHBondContact O-N 3.01Å; Y52-S57 PolarHBondContact O-N 3.19Å; Y52-M125 HydrophobicContact CD1-SD 4.32Å; Y52-W296 AromaticContact CE1-CD1 3.81Å; Y52-W296 AromaticContact CE1-NE1 3.88Å; Y52-D298 PolarHBondContact OH-N 2.95Å; Y52-D298 PolarHBondContact OH-OD1 2.9Å; Y52-M299 WeakPolarHBondContact OH-CG 3.47Å
53H93.1Very high92.2Very high0 Ų037.7 Ų37.70%020%0.201CC..Iπ-helixtrans-64.7-41.8177-175.675.9000112.2S49 L51 F63 I124 M125 F142S49-H53 PolarHBondContact O-N 3.37Å; L51-H53 VanDerWaalsContact C-N 3.32Å; L51-H53 PolarHBondContact O-N 3.34Å; H53-F63 AromaticContact CD2-CZ 3.66Å; H53-F63 AromaticContact NE2-CE2 3.61Å; H53-F63 AromaticContact NE2-CZ 3.62Å; H53-I124 PolarHBondContact CE1-O 2.82Å; H53-I124 VanDerWaalsContact CE1-O 3.31Å; H53-M125 HydrophobicContact CB-SD 3.86Å; H53-F142 HydrophobicContact CB-CE2 3.72Å; H53-F142 HydrophobicContact CB-CZ 4.23Å; H53-F142 AromaticContact CG-CE2 3.69Å
54L93.7Very high92.2Very high3 Ų337.9 Ų37.92%0.01620%0.201CC..Iπ-helixtrans-72.6-37.5-176.2-174.660.8000113.3N19 D50 L51 F63 L67 I360N19-L54 WeakPolarHBondContact CA-O 3.21Å; N19-L54 PolarHBondContact N-O 3.01Å; D50-L54 WeakPolarHBondContact O-CB 3.45Å; D50-L54 PolarHBondContact O-N 2.89Å; D50-L54 VanDerWaalsContact O-N 3.12Å; L51-L54 PolarHBondContact O-N 3.09Å; L51-L54 VanDerWaalsContact O-N 3.13Å; L54-F63 HydrophobicContact CD1-CE1 3.9Å; L54-F63 HydrophobicContact CD1-CZ 4.27Å; L54-L67 HydrophobicContact CB-CD1 4.11Å; L54-L67 HydrophobicContact CD1-CD1 4.45Å; L54-L67 HydrophobicContact CD2-CD1 4.26Å; L54-I360 HydrophobicContact CD2-CD1 4.15Å
55L91.9Very high92.1Very high40 Ų4035.7 Ų35.721%0.20919%0.188CC..Iπ-helixtrans-121.6-19.7-163-55.6179.2000114.2L51L51-L55 HydrophobicContact CB-CD1 4.35Å; L51-L55 HydrophobicContact CG-CD1 4.2Å; L51-L55 WeakPolarHBondContact O-CA 3.39Å; L51-L55 VanDerWaalsContact O-CB 3.3Å; L51-L55 WeakPolarHBondContact O-CB 3.45Å; L51-L55 PolarHBondContact O-N 2.99Å
56E88.1Confident92.2Very high90 Ų9034.7 Ų34.742%0.42118%0.181SC..Iπ-helixtrans-117.2-62.6-170.4-60178.8-142.900112.5H48 Y52 M58H48-E56 IonicContact CE1-OE1 3.01Å; H48-E56 PolarHBondContact CE1-OE1 3.5Å; H48-E56 VanDerWaalsContact CE1-OE1 3.29Å; H48-E56 IonicContact NE2-OE1 3.4Å; Y52-E56 HydrophobicContact CD2-CB 3.92Å; Y52-E56 HydrophobicContact CD2-CG 4.47Å; Y52-E56 WeakPolarHBondContact CD2-OE2 3.41Å; Y52-E56 HydrophobicContact CE2-CB 4.24Å; Y52-E56 WeakPolarHBondContact O-CA 3.37Å; Y52-E56 WeakPolarHBondContact O-CB 3.11Å; Y52-E56 PolarHBondContact O-N 3.01Å; E56-M58 VanDerWaalsContact C-N 3.34Å
57S84.8Confident92.4Very high12 Ų1233.3 Ų33.38%0.08417%0.172CC..Iπ-helixtrans-72.9-29.5-178.3740000112.8Y52 T59Y52-S57 PolarHBondContact O-N 3.19Å; S57-T59 PolarHBondContact O-N 2.74Å; S57-T59 PolarHBondContact O-OG1 3.11Å
58M82.7Confident92.5Very high77 Ų7732.7 Ų32.738%0.37917%0.168SC..  trans45.831.6167-64.2-176.361.800115.5P18 N19 E56 E60P18-M58 HydrophobicContact CB-CB 3.81Å; P18-M58 HydrophobicContact CB-CE 3.71Å; P18-M58 HydrophobicContact CB-CG 3.99Å; P18-M58 HydrophobicContact CG-CB 4.46Å; N19-M58 HydrophobicContact CB-CE 3.57Å; N19-M58 HydrophobicContact CB-SD 4.14Å; E56-M58 VanDerWaalsContact C-N 3.34Å; M58-E60 PolarHBondContact O-N 2.87Å; M58-E60 VanDerWaalsContact O-N 3.11Å
59T86Confident92.7Very high46 Ų4629.9 Ų29.928%0.28216%0.155SC..  trans-71.4110-178.1-590000109.5S57 D61 G62 F63 E123 I124S57-T59 PolarHBondContact O-N 2.74Å; S57-T59 PolarHBondContact O-OG1 3.11Å; T59-D61 PolarHBondContact O-N 2.96Å; T59-D61 VanDerWaalsContact O-N 3.17Å; T59-G62 PolarHBondContact O-N 2.85Å; T59-F63 WeakPolarHBondContact O-CD2 3.31Å; T59-E123 PolarHBondContact OG1-O 3.05Å; T59-I124 HydrophobicContact CG2-CG2 3.86Å
60E89.4Confident92.9Very high156 Ų15629.2 Ų29.273%0.72915%0.149SC*.G310 helixtrans-55.9-36.4-171.2-67.8-173.5167.900113.5P18 M58 G62 F63P18-E60 HydrophobicContact CG-CG 4.27Å; M58-E60 PolarHBondContact O-N 2.87Å; M58-E60 VanDerWaalsContact O-N 3.11Å; E60-G62 PolarHBondContact O-N 3.42Å; E60-F63 PolarHBondContact O-N 2.95Å
61D91.4Very high93.1Very high125 Ų12529.1 Ų29.167%0.66815%0.149SC*.G310 helixtrans-64.2-10.2177-71.9-24.5000114T59 F63 I124T59-D61 PolarHBondContact O-N 2.96Å; T59-D61 VanDerWaalsContact O-N 3.17Å; D61-F63 VanDerWaalsContact C-N 3.31Å; D61-I124 HydrophobicContact CB-CG2 3.76Å
62G92Very high93.3Very high0 Ų029 Ų290%015%0.148CC..G310 helixtrans-78.6-9.4171.100000114.3T59 E60 T65T59-G62 PolarHBondContact O-N 2.85Å; E60-G62 PolarHBondContact O-N 3.42Å; G62-T65 WeakPolarHBondContact O-CB 2.97Å
63F95.9Very high93.7Very high19 Ų1928.8 Ų28.88%0.08315%0.147CC..  trans-118.6152.3-172.2-64-96.3000112.4P18 H53 L54 T59 E60 D61 T65P18-F63 HydrophobicContact CB-CE2 4.11Å; P18-F63 HydrophobicContact CB-CZ 4.33Å; P18-F63 HydrophobicContact CG-CD2 3.63Å; P18-F63 HydrophobicContact CG-CE2 3.61Å; P18-F63 HydrophobicContact CG-CG 4.31Å; P18-F63 HydrophobicContact CG-CZ 4.25Å; H53-F63 AromaticContact CD2-CZ 3.66Å; H53-F63 AromaticContact NE2-CE2 3.61Å; H53-F63 AromaticContact NE2-CZ 3.62Å; L54-F63 HydrophobicContact CD1-CE1 3.9Å; L54-F63 HydrophobicContact CD1-CZ 4.27Å; T59-F63 WeakPolarHBondContact O-CD2 3.31Å; E60-F63 PolarHBondContact O-N 2.95Å; D61-F63 VanDerWaalsContact C-N 3.31Å; F63-T65 HydrophobicContact CD1-CG2 3.99Å; F63-T65 HydrophobicContact CE1-CG2 4.03Å
64P97.3Very high93.9Very high25 Ų2531.7 Ų31.716%0.16216%0.162CC..SBendcis-75.4148.1-1.833-37.5000112.3V14 S15 W16 I139 H140V14-P64 HydrophobicContact CG1-CB 4.41Å; S15-P64 CarbonylContact O-C 3.55Å; S15-P64 VanDerWaalsContact O-CA 3.27Å; S15-P64 WeakPolarHBondContact O-CA 3.14Å; W16-P64 HydrophobicContact CD2-CB 4.37Å; W16-P64 HydrophobicContact CE3-CB 3.65Å; W16-P64 HydrophobicContact CE3-CG 4.15Å; W16-P64 HydrophobicContact CZ3-CB 4.05Å; W16-P64 HydrophobicContact CZ3-CG 4.13Å; P64-I139 HydrophobicContact CB-CD1 3.87Å; P64-I139 HydrophobicContact CG-CD1 3.53Å; P64-H140 WeakPolarHBondContact O-CB 3.39Å; P64-H140 PolarHBondContact O-CD2 2.8Å; P64-H140 VanDerWaalsContact O-CD2 3.22Å; P64-H140 PolarHBondContact O-N 3.46Å
65T97.6Very high94.2Very high1 Ų131.7 Ų31.71%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-141.5154.8-174.3-167.20000112.6S15 G62 F63 L67 H140S15-T65 PolarHBondContact N-O 3Å; S15-T65 PolarHBondContact O-N 2.71Å; G62-T65 WeakPolarHBondContact O-CB 2.97Å; F63-T65 HydrophobicContact CD1-CG2 3.99Å; F63-T65 HydrophobicContact CE1-CG2 4.03Å; T65-L67 HydrophobicContact CG2-CD2 3.55Å; T65-L67 HydrophobicContact CG2-CG 4.11Å; T65-H140 PolarHBondContact OG1-O 2.96Å
66V98.4Very high94.5Very high0 Ų031.2 Ų31.20%016%0.159CC..EExtended strand (participates in β ladder)trans-101.5116.3162175.80000107.4A12 V14 F132 I139 H140 F142 S146 F148A12-V66 HydrophobicContact CB-CG1 4.35Å; A12-V66 HydrophobicContact CB-CG2 4.02Å; V14-V66 HydrophobicContact CG2-CG2 4.1Å; V66-F132 HydrophobicContact CB-CD2 4.07Å; V66-F132 HydrophobicContact CB-CE2 3.87Å; V66-F132 HydrophobicContact CG1-CE2 4.17Å; V66-F132 HydrophobicContact CG2-CD2 3.87Å; V66-F132 HydrophobicContact CG2-CE2 4.02Å; V66-I139 HydrophobicContact CG2-CG2 3.92Å; V66-H140 PolarHBondContact N-O 2.8Å; V66-F142 WeakPolarHBondContact O-CB 3.42Å; V66-F142 PolarHBondContact O-N 3.4Å; V66-S146 VanDerWaalsContact O-CB 3.26Å; V66-S146 WeakPolarHBondContact O-CB 3.01Å; V66-S146 PolarHBondContact O-OG 2.88Å; V66-F148 HydrophobicContact CG1-CB 4.23Å; V66-F148 WeakPolarHBondContact CG1-O 3.47Å
67L97.9Very high95Very high2 Ų227.1 Ų27.11%0.0114%0.14CC..  trans-77.3-170.8-179.4-59.7177.8000112.6L54 T65 F142 S146 T147 F148L54-L67 HydrophobicContact CB-CD1 4.11Å; L54-L67 HydrophobicContact CD1-CD1 4.45Å; L54-L67 HydrophobicContact CD2-CD1 4.26Å; T65-L67 HydrophobicContact CG2-CD2 3.55Å; T65-L67 HydrophobicContact CG2-CG 4.11Å; L67-F142 HydrophobicContact CD2-CB 4.18Å; L67-F142 HydrophobicContact CD2-CD1 4.3Å; L67-F142 HydrophobicContact CD2-CD2 3.83Å; L67-F142 HydrophobicContact CD2-CE2 4.24Å; L67-F142 HydrophobicContact CD2-CG 3.85Å; L67-S146 CarbonylContact O-C 3.5Å; L67-S146 WeakPolarHBondContact O-CA 3.03Å; L67-T147 PolarHBondContact O-N 2.92Å; L67-F148 HydrophobicContact CB-CD2 3.63Å; L67-F148 HydrophobicContact CB-CE2 3.78Å; L67-F148 WeakPolarHBondContact O-CB 2.97Å; L67-F148 PolarHBondContact O-N 3.11Å
68G97.6Very high95.7Very high0 Ų028.9 Ų28.90%015%0.15CC..  trans90.4126.3176.400000111.6D50 T145 S146 T147 F148D50-G68 WeakPolarHBondContact OD1-CA 3.39Å; D50-G68 PolarHBondContact OD1-N 3.33Å; G68-T145 PolarHBondContact O-OG1 2.94Å; G68-S146 CarbonylContact O-C 3.57Å; G68-S146 VanDerWaalsContact O-CA 3.27Å; G68-S146 WeakPolarHBondContact O-CA 3.48Å; G68-S146 PolarHBondContact O-N 3.37Å; G68-S146 VanDerWaalsContact O-N 3.16Å; G68-T147 WeakPolarHBondContact CA-OG1 3.34Å; G68-T147 PolarHBondContact O-N 2.82Å; G68-T147 PolarHBondContact O-OG1 3.16Å; G68-F148 VanDerWaalsContact CA-CE1 3.48Å
69H97Very high96.4Very high0 Ų025.6 Ų25.60%014%0.136CC..  trans-133.71.6179.365.1-76.4000113.9C47 D50 F95 F142 M143 T145 T147 C176C47-H69 VanDerWaalsContact CB-CE1 3.46Å; C47-H69 WeakPolarHBondContact CB-CE1 3.23Å; D50-H69 IonicContact OD1-CE1 2.67Å; D50-H69 IonicContact OD1-ND1 2.82Å; D50-H69 PolarHBondContact OD1-ND1 2.96Å; D50-H69 IonicContact OD2-CE1 3.59Å; D50-H69 IonicContact OD2-ND1 3.29Å; H69-F95 HydrophobicContact CB-CB 4.47Å; H69-F142 HydrophobicContact CB-CD1 4.37Å; H69-F142 HydrophobicContact CB-CE1 4.22Å; H69-F142 AromaticContact ND1-CE1 3.68Å; H69-M143 HydrophobicContact CB-CB 4.14Å; H69-M143 HydrophobicContact CB-SD 3.99Å; H69-T145 VanDerWaalsContact CA-OG1 3.29Å; H69-T145 WeakPolarHBondContact CA-OG1 3.44Å; H69-T145 WeakPolarHBondContact CB-OG1 3.49Å; H69-T147 PolarHBondContact N-OG1 3.16Å; H69-C176 PolarHBondContact NE2-SG 3.23Å; H69-C176 VanDerWaalsContact NE2-SG 3.41Å
70E96.6Very high97Very high9 Ų927.8 Ų27.84%0.04215%0.151CC..EExtended strand (participates in β ladder)trans-113.766.8-178.8-62.7-163-167.600111.2T44 S45 C47 C176 G177T44-E70 CarbonylContact C-O 3.46Å; T44-E70 WeakPolarHBondContact CA-O 3.36Å; T44-E70 PolarHBondContact OG1-O 3.26Å; S45-E70 PolarHBondContact N-O 2.88Å; S45-E70 WeakPolarHBondContact OG-CB 3.34Å; S45-E70 PolarHBondContact OG-O 2.85Å; S45-E70 PolarHBondContact OG-OE2 3.4Å; C47-E70 HydrophobicContact CB-CG 4.22Å; C47-E70 WeakPolarHBondContact CB-OE1 3.31Å; C47-E70 PolarHBondContact SG-OE1 2.79Å; E70-C176 HydrophobicContact CG-CB 3.45Å; E70-C176 VanDerWaalsContact CG-CB 3.45Å; E70-C176 VanDerWaalsContact OE1-CB 3.22Å; E70-C176 WeakPolarHBondContact OE1-CB 3.45Å; E70-G177 PolarHBondContact OE1-N 3.33Å
71G98.1Very high97.3Very high0 Ų023.4 Ų23.40%015%0.148CC..EExtended strand (participates in β ladder)trans-108.2162.2-176.400000114.3A43 P93A43-G71 CarbonylContact O-C 3.58Å; A43-G71 WeakPolarHBondContact O-CA 3.45Å; G71-P93 WeakPolarHBondContact O-CD 3.37Å
72A98.8Very high97.6Very high0 Ų018.3 Ų18.30%012%0.121CC..EExtended strand (participates in β ladder)trans-140.6143.7161.100000109.8V42 A43 I92 L168 V171 C172V42-A72 PolarHBondContact N-O 2.93Å; A43-A72 PolarHBondContact N-O 2.86Å; A43-A72 VanDerWaalsContact N-O 3.14Å; A43-A72 PolarHBondContact O-N 3.24Å; A72-I92 HydrophobicContact CB-CG1 4.01Å; A72-L168 HydrophobicContact CB-CB 4.09Å; A72-L168 HydrophobicContact CB-CD2 3.76Å; A72-L168 WeakPolarHBondContact CB-O 3.3Å; A72-V171 HydrophobicContact CB-CG2 4.34Å; A72-C172 HydrophobicContact CB-CB 3.84Å
73G98.8Very high97.8Very high0 Ų024.7 Ų24.70%016%0.16CC..EExtended strand (participates in β ladder)trans-159-170-171.600000113.9K40 K90 A91K40-G73 CarbonylContact O-C 3.57Å; K40-G73 WeakPolarHBondContact O-CA 3.47Å; G73-K90 WeakPolarHBondContact O-CA 3.43Å; G73-A91 PolarHBondContact N-O 3.33Å; G73-A91 PolarHBondContact O-N 3.49Å
74I98.9Very high97.8Very high61 Ų6127.4 Ų27.431%0.31317%0.173SC..EExtended strand (participates in β ladder)trans-122.2130.6-179.9-58.5172.3000108K40 V42 E76 D89 K90 L168K40-I74 PolarHBondContact N-O 3.44Å; K40-I74 PolarHBondContact O-N 2.85Å; V42-I74 HydrophobicContact CG2-CD1 4.23Å; V42-I74 HydrophobicContact CG2-CG1 4.19Å; I74-E76 PolarHBondContact O-N 2.67Å; I74-D89 CarbonylContact C-O 3.5Å; I74-D89 WeakPolarHBondContact CA-O 3.37Å; I74-K90 HydrophobicContact CG1-CG 4.39Å; I74-L168 HydrophobicContact CD1-CD1 4.33Å; I74-L168 HydrophobicContact CG1-CD1 3.87Å
75V98.8Very high97.9Very high2 Ų226.7 Ų26.71%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-60.1123.3176176.90000109.2V37 V78 F85 Q86 P87 G88 D89 A91V37-V75 HydrophobicContact CG1-CB 4.31Å; V37-V75 HydrophobicContact CG1-CG1 3.65Å; V37-V75 HydrophobicContact CG1-CG2 3.83Å; V75-V78 HydrophobicContact CG1-CG1 3.85Å; V75-F85 HydrophobicContact CG2-CB 4.46Å; V75-F85 HydrophobicContact CG2-CD1 4.13Å; V75-Q86 WeakPolarHBondContact CB-O 3.29Å; V75-Q86 WeakPolarHBondContact CG1-O 3.41Å; V75-P87 CarbonylContact O-C 3.57Å; V75-P87 WeakPolarHBondContact O-CA 3.26Å; V75-G88 PolarHBondContact O-N 3.48Å; V75-D89 HydrophobicContact CB-CB 4.32Å; V75-D89 HydrophobicContact CG2-CB 4.01Å; V75-D89 PolarHBondContact N-O 3.35Å; V75-A91 HydrophobicContact CG2-CB 4.07Å
76E98.8Very high97.9Very high30 Ų3032.3 Ų32.314%0.1419%0.194CC..EExtended strand (participates in β ladder)trans-92.6-46.9176.4179.2-83.3160.200111.1T3 A4 R38 I74 Y151T3-E76 VanDerWaalsContact C-OE1 3.27Å; T3-E76 VanDerWaalsContact CB-OE1 3.25Å; T3-E76 WeakPolarHBondContact CB-OE1 3.48Å; T3-E76 PolarHBondContact OG1-OE1 2.82Å; A4-E76 PolarHBondContact N-OE1 2.76Å; A4-E76 VanDerWaalsContact N-OE1 3.17Å; R38-E76 IonicContact CZ-OE2 2.87Å; R38-E76 IonicContact NE-OE2 3.47Å; R38-E76 PolarHBondContact NE-OE2 3.4Å; R38-E76 IonicContact NH2-OE1 3.31Å; R38-E76 PolarHBondContact NH2-OE1 2.84Å; R38-E76 IonicContact NH2-OE2 3.23Å; R38-E76 PolarHBondContact NH2-OE2 3.01Å; R38-E76 PolarHBondContact O-N 3.26Å; I74-E76 PolarHBondContact O-N 2.67Å; E76-Y151 HydrophobicContact CB-CD1 4.44Å; E76-Y151 HydrophobicContact CB-CE1 4.13Å; E76-Y151 HydrophobicContact CG-CE1 3.99Å
77S98.7Very high97.9Very high5 Ų536 Ų364%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-153.2161.5175.959.40000111.6R38R38-S77 PolarHBondContact N-O 3.07Å; R38-S77 PolarHBondContact O-N 3Å
78V98.7Very high97.9Very high49 Ų4938.5 Ų38.530%0.29724%0.244SC..EExtended strand (participates in β ladder)trans-125.4145.1179.1-61.60000109.8V37 V75 V82 F85V37-V78 HydrophobicContact CG1-CG1 4.21Å; V37-V78 HydrophobicContact CG2-CG1 4.36Å; V75-V78 HydrophobicContact CG1-CG1 3.85Å; V78-V82 HydrophobicContact CB-CB 3.97Å; V78-V82 HydrophobicContact CB-CG1 3.96Å; V78-V82 HydrophobicContact CB-CG2 4.42Å; V78-V82 HydrophobicContact CG1-CG1 3.94Å; V78-F85 HydrophobicContact CG1-CB 3.93Å
79G98.3Very high98Very high8 Ų839.4 Ų39.48%0.08225%0.249CC..  trans-86.6175.5174.800000113.1Q33 E36 V82Q33-G79 WeakPolarHBondContact O-CA 3.42Å; E36-G79 PolarHBondContact O-N 2.63Å; G79-V82 WeakPolarHBondContact O-CG2 3.45Å; G79-V82 PolarHBondContact O-N 3.22Å
80P98.1Very high98.1Very high92 Ų9241.7 Ų41.760%0.59726%0.259SS*.THydrogen-bonded Turntrans-55.5139.8-179.2-26.635000113.3A34 G35 V82A34-P80 CarbonylContact C-O 3.6Å; A34-P80 VanDerWaalsContact CA-O 3.25Å; A34-P80 WeakPolarHBondContact CA-O 3.34Å; A34-P80 HydrophobicContact CB-CB 4.36Å; G35-P80 PolarHBondContact N-O 3.18Å; P80-V82 VanDerWaalsContact C-N 3.26Å; P80-V82 PolarHBondContact O-N 2.84Å
81G96.3Very high98.2Very high64 Ų6441.3 Ų41.366%0.6626%0.257SS*.THydrogen-bonded Turntrans77.13.6176.600000115.5Q156G81-Q156 PolarHBondContact O-NE2 3.39Å
82V97.8Very high98.2Very high17 Ų1741.3 Ų41.310%0.10326%0.257CS..  trans-80.1124.8167.1177.10000109.3E36 V37 V78 G79 P80 F85 Q156E36-V82 WeakPolarHBondContact O-CG2 3.35Å; V37-V82 HydrophobicContact CG2-CG1 4.05Å; V37-V82 HydrophobicContact CG2-CG2 4.31Å; V78-V82 HydrophobicContact CB-CB 3.97Å; V78-V82 HydrophobicContact CB-CG1 3.96Å; V78-V82 HydrophobicContact CB-CG2 4.42Å; V78-V82 HydrophobicContact CG1-CG1 3.94Å; G79-V82 WeakPolarHBondContact O-CG2 3.45Å; G79-V82 PolarHBondContact O-N 3.22Å; P80-V82 VanDerWaalsContact C-N 3.26Å; P80-V82 PolarHBondContact O-N 2.84Å; V82-F85 HydrophobicContact CG1-CB 3.97Å; V82-F85 HydrophobicContact CG1-CD2 4.02Å; V82-Q156 HydrophobicContact CG2-CB 4.31Å
83T96.3Very high98.2Very high134 Ų13441.3 Ų41.382%0.82226%0.257SS*.  trans-122-17.8-178.655.80000113.5
84E96.1Very high98.1Very high77 Ų7741.3 Ų41.336%0.3626%0.257SS..SBendtrans-85.4-15.5-176.7-168.4-179.8152.600113.3K326E84-K326 WeakPolarHBondContact OE1-CE 3.5Å; E84-K326 IonicContact OE1-NZ 2.92Å; E84-K326 PolarHBondContact OE1-NZ 3.26Å; E84-K326 IonicContact OE2-NZ 3Å; E84-K326 PolarHBondContact OE2-NZ 2.89Å
85F98.1Very high97.7Very high9 Ų938.6 Ų38.64%0.03924%0.243CC..  trans-128.6148.5-173.1-60.3-84.1000111.7V37 V75 V78 V82 A91 Q156 V159 K161V37-F85 HydrophobicContact CG2-CB 4.34Å; V37-F85 HydrophobicContact CG2-CD2 3.9Å; V37-F85 HydrophobicContact CG2-CG 4.2Å; V75-F85 HydrophobicContact CG2-CB 4.46Å; V75-F85 HydrophobicContact CG2-CD1 4.13Å; V78-F85 HydrophobicContact CG1-CB 3.93Å; V82-F85 HydrophobicContact CG1-CB 3.97Å; V82-F85 HydrophobicContact CG1-CD2 4.02Å; F85-A91 HydrophobicContact CE1-CB 4.46Å; F85-Q156 HydrophobicContact CD2-CB 4.32Å; F85-Q156 HydrophobicContact CE2-CB 4.17Å; F85-V159 HydrophobicContact CD1-CG1 4.43Å; F85-V159 HydrophobicContact CE1-CB 4.26Å; F85-V159 HydrophobicContact CE1-CG1 3.62Å; F85-V159 HydrophobicContact CE2-CB 4.24Å; F85-V159 HydrophobicContact CE2-CG1 4.44Å; F85-V159 HydrophobicContact CZ-CB 3.76Å; F85-V159 HydrophobicContact CZ-CG1 3.64Å; F85-V159 WeakPolarHBondContact CZ-O 3.37Å; F85-K161 HydrophobicContact CD1-CB 4.22Å; F85-K161 HydrophobicContact CE1-CB 3.7Å; F85-K161 HydrophobicContact CZ-CB 4.47Å
86Q97.9Very high97.4Very high119 Ų11938.5 Ų38.556%0.55624%0.242SC*.  trans-136.9158.4168.463.1-179.23500110.7V75 G88 D89V75-Q86 WeakPolarHBondContact CB-O 3.29Å; V75-Q86 WeakPolarHBondContact CG1-O 3.41Å; Q86-G88 PolarHBondContact O-N 2.9Å; Q86-D89 WeakPolarHBondContact CG-OD2 3.45Å; Q86-D89 PolarHBondContact N-OD2 2.99Å; Q86-D89 WeakPolarHBondContact O-CB 3.43Å; Q86-D89 PolarHBondContact O-N 3.3Å
87P98.6Very high97.1Very high79 Ų7937.3 Ų37.351%0.51324%0.237SC..THydrogen-bonded Turntrans-50.2135.4172.4-27.635.8000112.5V75V75-P87 CarbonylContact O-C 3.57Å; V75-P87 WeakPolarHBondContact O-CA 3.26Å
88G98.4Very high97Very high53 Ų5337.6 Ų37.655%0.54624%0.238SC..THydrogen-bonded Turntrans92.8-13-177.900000115.1V75 Q86 K90V75-G88 PolarHBondContact O-N 3.48Å; Q86-G88 PolarHBondContact O-N 2.9Å; G88-K90 PolarHBondContact O-N 3.18Å
89D98.8Very high96.9Very high19 Ų1935.9 Ų35.910%0.10223%0.228CC..  trans-64.2135.4174.1-76.4-23.2000111.2I74 V75 Q86 K161I74-D89 CarbonylContact C-O 3.5Å; I74-D89 WeakPolarHBondContact CA-O 3.37Å; V75-D89 HydrophobicContact CB-CB 4.32Å; V75-D89 HydrophobicContact CG2-CB 4.01Å; V75-D89 PolarHBondContact N-O 3.35Å; Q86-D89 WeakPolarHBondContact CG-OD2 3.45Å; Q86-D89 PolarHBondContact N-OD2 2.99Å; Q86-D89 WeakPolarHBondContact O-CB 3.43Å; Q86-D89 PolarHBondContact O-N 3.3Å; D89-K161 HydrophobicContact CB-CD 4.46Å; D89-K161 WeakPolarHBondContact OD1-CE 3.43Å; D89-K161 IonicContact OD1-NZ 2.78Å; D89-K161 PolarHBondContact OD1-NZ 3.14Å; D89-K161 WeakPolarHBondContact OD2-CE 3.27Å; D89-K161 IonicContact OD2-NZ 2.76Å; D89-K161 PolarHBondContact OD2-NZ 2.96Å
90K98.8Very high96.7Very high49 Ų4939.8 Ų39.821%0.21324%0.243CC..EExtended strand (participates in β ladder)trans-74.7136.3167-74-173176.2175.20109.8G73 I74 G88 I162 P164 A166 L168G73-K90 WeakPolarHBondContact O-CA 3.43Å; I74-K90 HydrophobicContact CG1-CG 4.39Å; G88-K90 PolarHBondContact O-N 3.18Å; K90-I162 HydrophobicContact CB-CD1 4.06Å; K90-I162 HydrophobicContact CB-CG1 3.63Å; K90-I162 WeakPolarHBondContact O-CG1 3.07Å; K90-I162 PolarHBondContact O-N 3.24Å; K90-P164 WeakPolarHBondContact CD-O 3.26Å; K90-P164 VanDerWaalsContact CE-O 3.25Å; K90-P164 WeakPolarHBondContact CE-O 3.41Å; K90-P164 PolarHBondContact NZ-O 3.32Å; K90-A166 PolarHBondContact NZ-O 3.5Å; K90-L168 HydrophobicContact CB-CD2 4.17Å; K90-L168 HydrophobicContact CD-CD1 4.27Å; K90-L168 HydrophobicContact CD-CD2 3.89Å; K90-L168 HydrophobicContact CD-CG 4.07Å; K90-L168 HydrophobicContact CG-CD1 4.28Å; K90-L168 HydrophobicContact CG-CD2 4.1Å; K90-L168 HydrophobicContact CG-CG 4.48Å
91A98.6Very high96.6Very high0 Ų041.3 Ų41.30%024%0.242CC..EExtended strand (participates in β ladder)trans-146.7152.2-174.600000113.1I39 G73 V75 F85 V159 T160I39-A91 HydrophobicContact CD1-CB 4.15Å; G73-A91 PolarHBondContact N-O 3.33Å; G73-A91 PolarHBondContact O-N 3.49Å; V75-A91 HydrophobicContact CG2-CB 4.07Å; F85-A91 HydrophobicContact CE1-CB 4.46Å; A91-V159 HydrophobicContact CB-CG1 3.69Å; A91-T160 CarbonylContact C-O 3.56Å; A91-T160 WeakPolarHBondContact CA-O 3.21Å
92I98.8Very high96.7Very high0 Ų039 Ų390%022%0.215CC..EExtended strand (participates in β ladder)trans-115.5118.4172.2-68.9174000108.3A72 L94 T160 I162 V171 L174 V329 V333A72-I92 HydrophobicContact CB-CG1 4.01Å; I92-L94 HydrophobicContact CG2-CD2 4.09Å; I92-T160 HydrophobicContact CB-CG2 4.45Å; I92-T160 PolarHBondContact N-O 3.23Å; I92-T160 PolarHBondContact O-N 3.18Å; I92-I162 HydrophobicContact CD1-CD1 4.12Å; I92-I162 HydrophobicContact CD1-CG2 3.96Å; I92-I162 HydrophobicContact CG1-CD1 4.02Å; I92-I162 HydrophobicContact CG1-CG2 4.14Å; I92-V171 HydrophobicContact CD1-CB 4.22Å; I92-V171 HydrophobicContact CD1-CG2 4.09Å; I92-V171 VanDerWaalsContact CD1-O 3.29Å; I92-V171 WeakPolarHBondContact CD1-O 3.48Å; I92-L174 HydrophobicContact CD1-CB 4.43Å; I92-V329 HydrophobicContact CB-CG1 4.26Å; I92-V329 HydrophobicContact CD1-CG1 3.73Å; I92-V329 HydrophobicContact CG2-CG1 4.12Å; I92-V333 HydrophobicContact CD1-CG2 4Å
93P98.1Very high96.6Very high0 Ų046.3 Ų46.30%024%0.241CC..EExtended strand (participates in β ladder)trans-53.1138.7161.7-29.338.6000112.1I39 I41 G71 T145 T147 I154I39-P93 HydrophobicContact CD1-CG 4.3Å; I41-P93 HydrophobicContact CD1-CG 4.15Å; G71-P93 WeakPolarHBondContact O-CD 3.37Å; P93-T145 HydrophobicContact CB-CG2 3.77Å; P93-T147 HydrophobicContact CB-CG2 4.11Å; P93-T147 HydrophobicContact CG-CG2 4.01Å; P93-I154 HydrophobicContact CB-CD1 3.49Å; P93-I154 VanDerWaalsContact CB-CD1 3.49Å; P93-I154 HydrophobicContact CG-CD1 3.53Å
94L96.4Very high96.6Very high0 Ų042.4 Ų42.40%021%0.213CC..  trans-123121.9179.3-53.8172.6000109.3I92 L96 A158 A325 K326 V329I92-L94 HydrophobicContact CG2-CD2 4.09Å; L94-L96 WeakPolarHBondContact CB-O 3.42Å; L94-L96 PolarHBondContact O-N 3.01Å; L94-A158 WeakPolarHBondContact CB-O 3.5Å; L94-A158 PolarHBondContact N-O 3.04Å; L94-A158 WeakPolarHBondContact O-CB 3.38Å; L94-A325 HydrophobicContact CD1-CB 3.9Å; L94-K326 HydrophobicContact CD1-CB 4.26Å; L94-K326 HydrophobicContact CD1-CG 3.52Å; L94-V329 HydrophobicContact CD2-CB 4.16Å; L94-V329 HydrophobicContact CD2-CG1 4.37Å; L94-V329 HydrophobicContact CD2-CG2 3.66Å
95F91.9Very high96.6Very high4 Ų439.4 Ų39.42%0.01820%0.2CC..SBendtrans-66.6-27172.274.9-91.4000112H69 W117 M143 C176 M319 F320H69-F95 HydrophobicContact CB-CB 4.47Å; F95-W117 HydrophobicContact CB-CZ2 4.47Å; F95-W117 PolarHBondContact O-NE1 2.64Å; F95-M143 HydrophobicContact CB-CB 4Å; F95-M143 HydrophobicContact CB-CE 3.65Å; F95-M143 HydrophobicContact CD1-CE 4.42Å; F95-M143 HydrophobicContact CD2-CE 3.42Å; F95-M143 VanDerWaalsContact CD2-CE 3.42Å; F95-M143 HydrophobicContact CE2-CE 4.13Å; F95-M143 HydrophobicContact CG-CE 3.59Å; F95-C176 HydrophobicContact CD1-CB 4.21Å; F95-C176 HydrophobicContact CE1-CB 3.85Å; F95-M319 HydrophobicContact CE2-CE 3.92Å; F95-M319 HydrophobicContact CE2-CG 4.47Å; F95-M319 HydrophobicContact CE2-SD 4.09Å; F95-M319 HydrophobicContact CZ-CE 4Å; F95-F320 HydrophobicContact CE1-CB 4.36Å; F95-F320 AromaticContact CE1-CD2 3.43Å; F95-F320 HydrophobicContact CE1-CD2 3.43Å; F95-F320 VanDerWaalsContact CE1-CD2 3.43Å; F95-F320 AromaticContact CE1-CE2 3.92Å; F95-F320 HydrophobicContact CE1-CE2 3.92Å; F95-F320 HydrophobicContact CE1-CG 4.02Å; F95-F320 HydrophobicContact CZ-CB 3.77Å; F95-F320 AromaticContact CZ-CD2 3.71Å; F95-F320 HydrophobicContact CZ-CD2 3.71Å; F95-F320 AromaticContact CZ-CG 3.95Å; F95-F320 HydrophobicContact CZ-CG 3.95Å
96L92.6Very high96.6Very high0 Ų045.3 Ų45.30%023%0.226CC..SBendtrans-99123.4173.6-166.568.9000110.7L94 N111 M319 F320 A325L94-L96 WeakPolarHBondContact CB-O 3.42Å; L94-L96 PolarHBondContact O-N 3.01Å; L96-N111 HydrophobicContact CD2-CB 4.14Å; L96-N111 VanDerWaalsContact CD2-ND2 3.32Å; L96-N111 WeakPolarHBondContact CD2-ND2 3.4Å; L96-M319 HydrophobicContact CD1-CG 4.47Å; L96-M319 HydrophobicContact CD2-CG 4.4Å; L96-F320 HydrophobicContact CB-CD1 4.49Å; L96-F320 HydrophobicContact CD2-CB 4Å; L96-F320 HydrophobicContact CD2-CD1 4.42Å; L96-A325 HydrophobicContact CB-CB 4.12Å; L96-A325 WeakPolarHBondContact O-CB 3.46Å
97C92.6Very high96.6Very high6 Ų640.6 Ų40.64%0.04121%0.206CC..  trans-78.2157.1-179.3-57.90000112.8C113 A116 I157C97-C113 HydrophobicContact CB-CB 4.19Å; C97-C113 WeakPolarHBondContact O-CB 3.29Å; C97-A116 HydrophobicContact CB-CB 4.05Å; C97-I157 CarbonylContact C-O 3.51Å; C97-I157 WeakPolarHBondContact CA-O 3.47Å; C97-I157 HydrophobicContact CB-CD1 4.03Å; C97-I157 HydrophobicContact CB-CG1 3.89Å
98Q96.1Very high96.4Very high10 Ų1042.9 Ų42.95%0.04722%0.221CC..  trans-140.193.6165.8-172.6-176.1-8.700110.6K100 I157 K324 K326 D327Q98-K100 VanDerWaalsContact C-N 3.29Å; Q98-K100 HydrophobicContact CG-CG 4.14Å; Q98-K100 PolarHBondContact O-N 2.94Å; Q98-I157 PolarHBondContact N-O 2.98Å; Q98-K324 PolarHBondContact OE1-O 2.9Å; Q98-K326 HydrophobicContact CB-CB 4.3Å; Q98-K326 HydrophobicContact CB-CD 4.23Å; Q98-K326 HydrophobicContact CB-CG 3.99Å; Q98-D327 PolarHBondContact NE2-OD2 2.9Å
99C95.6Very high96.3Very high14 Ų1451.2 Ų51.210%0.09524%0.236CC..  trans-78.7-9-178.574.50000114.7E101 C102 C105 R115 I157C99-E101 PolarHBondContact O-N 3.34Å; C99-C102 PolarHBondContact SG-N 2.91Å; C99-C102 VanDerWaalsContact SG-N 3.39Å; C99-C102 VanDerWaalsContact SG-SG 3.61Å; C99-C105 PolarHBondContact N-SG 3.29Å; C99-C105 VanDerWaalsContact N-SG 3.44Å; C99-R115 HydrophobicContact CB-CB 4.44Å; C99-I157 HydrophobicContact CB-CB 4.25Å; C99-I157 HydrophobicContact CB-CD1 4.25Å; C99-I157 HydrophobicContact CB-CG2 3.97Å
100K95.5Very high96.1Very high89 Ų8952.3 Ų52.339%0.38724%0.243SC..SBendtrans62.4-13.6-177.2-59.2-172.1173.9-172.60116Q98 C105 D327Q98-K100 VanDerWaalsContact C-N 3.29Å; Q98-K100 HydrophobicContact CG-CG 4.14Å; Q98-K100 PolarHBondContact O-N 2.94Å; K100-C105 PolarHBondContact N-SG 3.29Å; K100-D327 WeakPolarHBondContact CE-OD1 3.34Å; K100-D327 IonicContact NZ-OD1 2.84Å; K100-D327 PolarHBondContact NZ-OD1 2.89Å; K100-D327 IonicContact NZ-OD2 3.25Å
101E96.3Very high96Very high125 Ų12550.7 Ų50.758%0.58424%0.237SC*.SBendtrans-101.4-30.6-174.6-67.3-51.1137.400116.3C99 K106C99-E101 PolarHBondContact O-N 3.34Å; E101-K106 WeakPolarHBondContact O-CD 3.42Å; E101-K106 VanDerWaalsContact O-CE 3.23Å; E101-K106 WeakPolarHBondContact O-CE 3.42Å; E101-K106 PolarHBondContact O-NZ 2.87Å; E101-K106 IonicContact OE2-NZ 2.74Å; E101-K106 PolarHBondContact OE2-NZ 3.47Å
102C96.7Very high95.7Very high14 Ų1452.7 Ų52.710%0.09525%0.246CC..SBendtrans-71.7162.6-176.575.30000112.3C99 F104 C105 K106 E114C99-C102 PolarHBondContact SG-N 2.91Å; C99-C102 VanDerWaalsContact SG-N 3.39Å; C99-C102 VanDerWaalsContact SG-SG 3.61Å; C102-F104 PolarHBondContact O-N 3.34Å; C102-C105 PolarHBondContact O-N 3.14Å; C102-C105 VanDerWaalsContact O-N 3.07Å; C102-C105 PolarHBondContact SG-N 2.87Å; C102-K106 PolarHBondContact O-N 3.14Å; C102-E114 HydrophobicContact CB-CB 3.94Å; C102-E114 HydrophobicContact CB-CG 4.11Å; C102-E114 WeakPolarHBondContact CB-OE2 3.41Å; C102-E114 PolarHBondContact SG-N 2.91Å; C102-E114 VanDerWaalsContact SG-N 3.43Å
103R96.5Very high95.6Very high171 Ų17152.7 Ų52.765%0.64525%0.246SC*.Hα-helixtrans-58.6-33.3-178.869.5-176.9174.9-158.5-12.2112.7S107 E114R103-S107 VanDerWaalsContact O-CB 3.31Å; R103-S107 WeakPolarHBondContact O-CB 3.43Å; R103-S107 PolarHBondContact O-N 3.19Å; R103-E114 IonicContact CZ-OE1 2.72Å; R103-E114 IonicContact NE-OE1 3.65Å; R103-E114 PolarHBondContact NE-OE1 2.78Å; R103-E114 IonicContact NE-OE2 3.4Å; R103-E114 IonicContact NH2-OE1 3.53Å; R103-E114 PolarHBondContact NH2-OE1 3.19Å
104F96.6Very high95.3Very high52 Ų5255.9 Ų55.923%0.22826%0.262CS..Hα-helixtrans-74.9-36.3177.4-65.1-25.1000112.6C102 K106 S107 T110 Q112 E114 K324C102-F104 PolarHBondContact O-N 3.34Å; F104-K106 VanDerWaalsContact C-N 3.35Å; F104-S107 PolarHBondContact O-N 2.88Å; F104-T110 HydrophobicContact CB-CG2 3.8Å; F104-T110 HydrophobicContact CD1-CG2 4.03Å; F104-T110 HydrophobicContact CG-CG2 4.05Å; F104-Q112 WeakPolarHBondContact CB-O 3.48Å; F104-Q112 WeakPolarHBondContact CD2-O 3.29Å; F104-E114 HydrophobicContact CB-CG 4.31Å; F104-E114 HydrophobicContact CD2-CB 4.43Å; F104-E114 HydrophobicContact CD2-CG 3.16Å; F104-E114 HydrophobicContact CE2-CG 3.56Å; F104-E114 HydrophobicContact CG-CG 3.9Å; F104-K324 PolarHBondContact O-NZ 2.82Å
105C97Very high95Very high15 Ų1563.3 Ų63.310%0.10129%0.289CS..Hα-helixtrans-65.2-39.9172.8-770000111.7C99 K100 C102 K324C99-C105 PolarHBondContact N-SG 3.29Å; C99-C105 VanDerWaalsContact N-SG 3.44Å; K100-C105 PolarHBondContact N-SG 3.29Å; C102-C105 PolarHBondContact O-N 3.14Å; C102-C105 VanDerWaalsContact O-N 3.07Å; C102-C105 PolarHBondContact SG-N 2.87Å; C105-K324 PolarHBondContact O-NZ 2.92Å
106K97.4Very high94.6Very high132 Ų13263.1 Ų63.157%0.57429%0.289SS*.Hα-helixtrans-73.8-22.2178.5-70.2173.6172154.10113.9E101 C102 F104E101-K106 WeakPolarHBondContact O-CD 3.42Å; E101-K106 VanDerWaalsContact O-CE 3.23Å; E101-K106 WeakPolarHBondContact O-CE 3.42Å; E101-K106 PolarHBondContact O-NZ 2.87Å; E101-K106 IonicContact OE2-NZ 2.74Å; E101-K106 PolarHBondContact OE2-NZ 3.47Å; C102-K106 PolarHBondContact O-N 3.14Å; F104-K106 VanDerWaalsContact C-N 3.35Å
107S97.3Very high93.9Very high21 Ų2164.7 Ų64.715%0.14730%0.295CS..  trans-81.4135.1177.61760000111.9R103 F104 R109 K324R103-S107 VanDerWaalsContact O-CB 3.31Å; R103-S107 WeakPolarHBondContact O-CB 3.43Å; R103-S107 PolarHBondContact O-N 3.19Å; F104-S107 PolarHBondContact O-N 2.88Å; S107-R109 PolarHBondContact O-N 2.9Å; S107-R109 PolarHBondContact OG-N 3.3Å; S107-K324 WeakPolarHBondContact O-CE 3.47Å; S107-K324 PolarHBondContact O-NZ 3.49Å
108P95.3Very high93.1Very high127 Ų12765 Ų6583%0.82530%0.297SS*.THydrogen-bonded Turntrans-74.3-8173.431.6-35.8000113.3
109R94.9Very high92.1Very high227 Ų22769.8 Ų69.886%0.85731%0.314SS*.THydrogen-bonded Turntrans-84.3-9.5-171.1-62.3-179.7-72.6177.4-2.2115.1S107S107-R109 PolarHBondContact O-N 2.9Å; S107-R109 PolarHBondContact OG-N 3.3Å
110T95.3Very high91Very high42 Ų4275 Ų7526%0.25834%0.34SS..  trans-157.4152.7-173.9-175.20000111.5F104 Q112 K324F104-T110 HydrophobicContact CB-CG2 3.8Å; F104-T110 HydrophobicContact CD1-CG2 4.03Å; F104-T110 HydrophobicContact CG-CG2 4.05Å; T110-Q112 WeakPolarHBondContact OG1-CB 3.35Å; T110-Q112 PolarHBondContact OG1-N 2.85Å; T110-Q112 VanDerWaalsContact OG1-N 3.14Å; T110-K324 WeakPolarHBondContact O-CE 3.43Å; T110-K324 PolarHBondContact O-NZ 3.19Å
111N95.6Very high90.2Very high15 Ų1573.9 Ų73.98%0.0833%0.333CS..  trans-102.1-0.3169.162.8-18.7000114.1L96 C113 M319 F323 K324L96-N111 HydrophobicContact CD2-CB 4.14Å; L96-N111 VanDerWaalsContact CD2-ND2 3.32Å; L96-N111 WeakPolarHBondContact CD2-ND2 3.4Å; N111-C113 PolarHBondContact O-N 3.4Å; N111-M319 PolarHBondContact ND2-O 3.04Å; N111-F323 WeakPolarHBondContact CB-O 3.48Å; N111-F323 PolarHBondContact ND2-O 3.21Å; N111-K324 HydrophobicContact CB-CD 4.45Å
112Q94.3Very high89.4Confident42 Ų4272.2 Ų72.220%0.19633%0.326CS..  trans-79.380.3-172.4-70.4-76.2-2.300112.6F104 T110 R119F104-Q112 WeakPolarHBondContact CB-O 3.48Å; F104-Q112 WeakPolarHBondContact CD2-O 3.29Å; T110-Q112 WeakPolarHBondContact OG1-CB 3.35Å; T110-Q112 PolarHBondContact OG1-N 2.85Å; T110-Q112 VanDerWaalsContact OG1-N 3.14Å; Q112-R119 VanDerWaalsContact CB-NH2 3.26Å; Q112-R119 PolarHBondContact O-NE 3.1Å; Q112-R119 PolarHBondContact O-NH2 3.3Å
113C95.1Very high88.7Confident0 Ų076 Ų760%034%0.342CS..  trans-50.7138.3178.6178.80000112.9C97 N111 R115 A116 R119C97-C113 HydrophobicContact CB-CB 4.19Å; C97-C113 WeakPolarHBondContact O-CB 3.29Å; N111-C113 PolarHBondContact O-N 3.4Å; C113-R115 VanDerWaalsContact C-N 3.25Å; C113-R115 PolarHBondContact O-N 2.79Å; C113-R115 PolarHBondContact SG-N 3.07Å; C113-R115 VanDerWaalsContact SG-N 3.39Å; C113-A116 HydrophobicContact CB-CB 4.35Å; C113-A116 WeakPolarHBondContact O-CB 3.47Å; C113-A116 PolarHBondContact O-N 3.41Å; C113-R119 VanDerWaalsContact O-CD 3.3Å; C113-R119 WeakPolarHBondContact O-CD 3.48Å; C113-R119 PolarHBondContact O-NE 3.09Å
114E92.8Very high88.1Confident68 Ų6868.2 Ų68.232%0.31831%0.313SS..THydrogen-bonded Turntrans-69.2-25.4178.6-66.7-170.9134.200113.4C102 R103 F104 A116C102-E114 HydrophobicContact CB-CB 3.94Å; C102-E114 HydrophobicContact CB-CG 4.11Å; C102-E114 WeakPolarHBondContact CB-OE2 3.41Å; C102-E114 PolarHBondContact SG-N 2.91Å; C102-E114 VanDerWaalsContact SG-N 3.43Å; R103-E114 IonicContact CZ-OE1 2.72Å; R103-E114 IonicContact NE-OE1 3.65Å; R103-E114 PolarHBondContact NE-OE1 2.78Å; R103-E114 IonicContact NE-OE2 3.4Å; R103-E114 IonicContact NH2-OE1 3.53Å; R103-E114 PolarHBondContact NH2-OE1 3.19Å; F104-E114 HydrophobicContact CB-CG 4.31Å; F104-E114 HydrophobicContact CD2-CB 4.43Å; F104-E114 HydrophobicContact CD2-CG 3.16Å; F104-E114 HydrophobicContact CE2-CG 3.56Å; F104-E114 HydrophobicContact CG-CG 3.9Å; E114-A116 VanDerWaalsContact C-N 3.29Å
115R90.2Very high87.6Confident155 Ų15566.2 Ų66.259%0.58530%0.304SS*.THydrogen-bonded Turntrans-91.69.9179.3-61.4-179.264-175.80.2112.5C99 C113 I157C99-R115 HydrophobicContact CB-CB 4.44Å; C113-R115 VanDerWaalsContact C-N 3.25Å; C113-R115 PolarHBondContact O-N 2.79Å; C113-R115 PolarHBondContact SG-N 3.07Å; C113-R115 VanDerWaalsContact SG-N 3.39Å; R115-I157 HydrophobicContact CB-CD1 3.82Å
116A82.8Confident87.1Confident1 Ų165.6 Ų65.61%0.00830%0.3CS..  trans-71.2137.2176.200000110.4C97 C113 E114 T118 R119C97-A116 HydrophobicContact CB-CB 4.05Å; C113-A116 HydrophobicContact CB-CB 4.35Å; C113-A116 WeakPolarHBondContact O-CB 3.47Å; C113-A116 PolarHBondContact O-N 3.41Å; E114-A116 VanDerWaalsContact C-N 3.29Å; A116-T118 VanDerWaalsContact CB-OG1 3.31Å; A116-T118 WeakPolarHBondContact CB-OG1 3.32Å; A116-T118 PolarHBondContact O-N 2.8Å; A116-R119 PolarHBondContact O-N 2.87Å; A116-R119 VanDerWaalsContact O-N 3.11Å
117W79.1Confident86.3Confident32 Ų3260.1 Ų60.112%0.12128%0.282CS..G310 helixtrans-60-29.817566.7-91.2000111.1F95 R119 I120 M143F95-W117 HydrophobicContact CB-CZ2 4.47Å; F95-W117 PolarHBondContact O-NE1 2.64Å; W117-R119 PolarHBondContact O-N 3.23Å; W117-I120 PolarHBondContact O-N 3.35Å; W117-I120 VanDerWaalsContact O-N 3.11Å; W117-M143 VanDerWaalsContact CE2-CA 3.41Å; W117-M143 VanDerWaalsContact CE2-O 3.25Å; W117-M143 VanDerWaalsContact CH2-CA 3.46Å; W117-M143 HydrophobicContact CH2-CB 3.73Å; W117-M143 HydrophobicContact CH2-CE 4.32Å; W117-M143 HydrophobicContact CH2-CG 3.53Å; W117-M143 HydrophobicContact CZ2-CB 3.3Å; W117-M143 HydrophobicContact CZ2-CE 4.1Å; W117-M143 HydrophobicContact CZ2-CG 3.61Å; W117-M143 VanDerWaalsContact NE1-C 3.29Å; W117-M143 PolarHBondContact NE1-O 2.99Å
118T74.6Confident85.5Confident13 Ų1363.2 Ų63.28%0.0830%0.299CS..G310 helixtrans-59.5-3.2174.157.80000113.9A116 Q122A116-T118 VanDerWaalsContact CB-OG1 3.31Å; A116-T118 WeakPolarHBondContact CB-OG1 3.32Å; A116-T118 PolarHBondContact O-N 2.8Å; T118-Q122 WeakPolarHBondContact O-CG 3.44Å; T118-Q122 PolarHBondContact O-NE2 2.79Å
119R74.9Confident85.1Confident110 Ų11062.6 Ų62.642%0.41529%0.285SS..G310 helixtrans-100.4-11.1176.3-71.4-175.4170.6-82.32.5114.2Q112 C113 A116 W117Q112-R119 VanDerWaalsContact CB-NH2 3.26Å; Q112-R119 PolarHBondContact O-NE 3.1Å; Q112-R119 PolarHBondContact O-NH2 3.3Å; C113-R119 VanDerWaalsContact O-CD 3.3Å; C113-R119 WeakPolarHBondContact O-CD 3.48Å; C113-R119 PolarHBondContact O-NE 3.09Å; A116-R119 PolarHBondContact O-N 2.87Å; A116-R119 VanDerWaalsContact O-N 3.11Å; W117-R119 PolarHBondContact O-N 3.23Å
120I73.3Confident85.1Confident123 Ų12352.7 Ų52.763%0.63125%0.251SS*.THydrogen-bonded Turntrans-105.2-44.5-170.1-53.2177.2000110.5W117 V128W117-I120 PolarHBondContact O-N 3.35Å; W117-I120 VanDerWaalsContact O-N 3.11Å; I120-V128 HydrophobicContact CG2-CG2 4.33Å
121R78.4Confident85.2Confident66 Ų6651.5 Ų51.525%0.24924%0.242CC..  trans-142.569.8-174.4-65.3-145.7-62.1-163.68.2111.5E123 I124 M125 A126 G127R121-E123 VanDerWaalsContact C-OE2 3.28Å; R121-E123 WeakPolarHBondContact CA-OE1 3.27Å; R121-E123 WeakPolarHBondContact CA-OE2 3.49Å; R121-E123 WeakPolarHBondContact CB-OE1 3.38Å; R121-I124 HydrophobicContact CB-CD1 4.29Å; R121-I124 HydrophobicContact CB-CG1 3.87Å; R121-I124 VanDerWaalsContact NH2-CD1 3.31Å; R121-M125 PolarHBondContact O-N 2.68Å; R121-A126 PolarHBondContact NE-O 3.43Å; R121-G127 PolarHBondContact NH2-O 3.39Å
122Q80.1Confident85.4Confident91 Ų9150.9 Ų50.943%0.42524%0.238SC..THydrogen-bonded Turntrans-69.3-40.6-179.5-73.4-171.6-25.500111.1T118 I124 M125T118-Q122 WeakPolarHBondContact O-CG 3.44Å; T118-Q122 PolarHBondContact O-NE2 2.79Å; Q122-I124 VanDerWaalsContact C-N 3.29Å; Q122-I124 PolarHBondContact O-N 2.74Å; Q122-M125 VanDerWaalsContact O-CG 3.3Å; Q122-M125 WeakPolarHBondContact O-CG 3.37Å; Q122-M125 PolarHBondContact O-N 2.78Å
123E80.4Confident85.6Confident93 Ų9351.2 Ų51.244%0.43524%0.243SC..THydrogen-bonded Turntrans-59-35.8-174.767.6-63.3154.600113.1T59 R121T59-E123 PolarHBondContact OG1-O 3.05Å; R121-E123 VanDerWaalsContact C-OE2 3.28Å; R121-E123 WeakPolarHBondContact CA-OE1 3.27Å; R121-E123 WeakPolarHBondContact CA-OE2 3.49Å; R121-E123 WeakPolarHBondContact CB-OE1 3.38Å
124I84.4Confident85.8Confident7 Ų751.4 Ų51.44%0.03624%0.244CC..THydrogen-bonded Turntrans-99.6-1.4175.870.3163.7000113.7H53 T59 D61 R121 Q122 A126H53-I124 PolarHBondContact CE1-O 2.82Å; H53-I124 VanDerWaalsContact CE1-O 3.31Å; T59-I124 HydrophobicContact CG2-CG2 3.86Å; D61-I124 HydrophobicContact CB-CG2 3.76Å; R121-I124 HydrophobicContact CB-CD1 4.29Å; R121-I124 HydrophobicContact CB-CG1 3.87Å; R121-I124 VanDerWaalsContact NH2-CD1 3.31Å; Q122-I124 VanDerWaalsContact C-N 3.29Å; Q122-I124 PolarHBondContact O-N 2.74Å; I124-A126 HydrophobicContact CD1-CB 4.2Å; I124-A126 HydrophobicContact CG1-CB 4.31Å; I124-A126 PolarHBondContact O-N 3.3Å; I124-A126 VanDerWaalsContact O-N 3.07Å
125M86.3Confident86Confident11 Ų1155 Ų555%0.05426%0.259CS..THydrogen-bonded Turntrans52.129.8-179.1-55.9-176.473.400115.6Y52 H53 R121 Q122 F142 M143Y52-M125 HydrophobicContact CD1-SD 4.32Å; H53-M125 HydrophobicContact CB-SD 3.86Å; R121-M125 PolarHBondContact O-N 2.68Å; Q122-M125 VanDerWaalsContact O-CG 3.3Å; Q122-M125 WeakPolarHBondContact O-CG 3.37Å; Q122-M125 PolarHBondContact O-N 2.78Å; M125-F142 HydrophobicContact CB-CD2 4.02Å; M125-F142 HydrophobicContact CB-CE2 3.66Å; M125-F142 HydrophobicContact CE-CE2 3.74Å; M125-F142 HydrophobicContact CE-CZ 3.71Å; M125-F142 HydrophobicContact CG-CE2 4.42Å; M125-F142 HydrophobicContact SD-CE2 3.94Å; M125-F142 HydrophobicContact SD-CZ 4.41Å; M125-M143 HydrophobicContact CE-CE 4.44Å; M125-M143 HydrophobicContact CE-CG 4.18Å; M125-M143 HydrophobicContact CE-SD 3.78Å; M125-M143 PolarHBondContact O-N 3.32Å
126A86.2Confident86.3Confident1 Ų151.3 Ų51.31%0.00827%0.269CS..BIsolated β-bridgetrans-144.4144.7-175.900000113.5R121 I124 H140R121-A126 PolarHBondContact NE-O 3.43Å; I124-A126 HydrophobicContact CD1-CB 4.2Å; I124-A126 HydrophobicContact CG1-CB 4.31Å; I124-A126 PolarHBondContact O-N 3.3Å; I124-A126 VanDerWaalsContact O-N 3.07Å; A126-H140 HydrophobicContact CB-CB 4.03Å
127G81.3Confident87Confident18 Ų1857.3 Ų57.319%0.18630%0.295CS..  trans-65.5164.3176.100000114R121 E129R121-G127 PolarHBondContact NH2-O 3.39Å; G127-E129 VanDerWaalsContact C-N 3.33Å
128V80.2Confident87.8Confident85 Ų8561.3 Ų61.352%0.51531%0.31SS..SBendtrans-73.8-26.4175.91790000112I120 R138I120-V128 HydrophobicContact CG2-CG2 4.33Å; V128-R138 PolarHBondContact O-NH1 3.29Å; V128-R138 PolarHBondContact O-NH2 3.24Å
129E87.9Confident88.9Confident115 Ų11560.7 Ų60.754%0.53731%0.306SS..  trans-105.3159.1175.2-63.6-158.8173.400111.7G127 R131 R138G127-E129 VanDerWaalsContact C-N 3.33Å; E129-R131 IonicContact OE2-CZ 3.99Å; E129-R131 IonicContact OE2-NH1 3.28Å; E129-R131 PolarHBondContact OE2-NH1 3.39Å; E129-R131 IonicContact OE2-NH2 2.88Å; E129-R131 PolarHBondContact OE2-NH2 3.06Å; E129-R138 PolarHBondContact O-NH2 3.03Å
130S94.4Very high90Very high18 Ų1856.9 Ų56.913%0.12629%0.293CS..  trans-148156172178.20000109.2F132 R138 I139S130-F132 PolarHBondContact OG-N 2.64Å; S130-R138 VanDerWaalsContact N-NH2 3.2Å; S130-I139 WeakPolarHBondContact CB-O 3.1Å; S130-I139 PolarHBondContact OG-O 3.1Å
131R98Very high91Very high18 Ų1851.6 Ų51.67%0.06827%0.266CS..  trans-1117.5171.8-59.3-65.4177.3-98.4-1.6112.5V29 A30 Q33 E36 E129 V153V29-R131 WeakPolarHBondContact CA-O 3.44Å; A30-R131 HydrophobicContact CB-CB 4.13Å; A30-R131 PolarHBondContact N-O 2.84Å; Q33-R131 VanDerWaalsContact CD-CZ 3.48Å; Q33-R131 VanDerWaalsContact OE1-NH2 3.12Å; E36-R131 VanDerWaalsContact CD-NH2 3.28Å; E36-R131 IonicContact OE1-CZ 2.84Å; E36-R131 VanDerWaalsContact OE1-CZ 3.28Å; E36-R131 IonicContact OE1-NE 3.45Å; E36-R131 PolarHBondContact OE1-NE 3.29Å; E36-R131 IonicContact OE1-NH2 2.63Å; E36-R131 PolarHBondContact OE1-NH2 2.65Å; E36-R131 IonicContact OE2-CZ 3.22Å; E36-R131 IonicContact OE2-NE 2.68Å; E36-R131 PolarHBondContact OE2-NE 3.43Å; E36-R131 IonicContact OE2-NH2 2.81Å; E36-R131 PolarHBondContact OE2-NH2 2.73Å; E129-R131 IonicContact OE2-CZ 3.99Å; E129-R131 IonicContact OE2-NH1 3.28Å; E129-R131 PolarHBondContact OE2-NH1 3.39Å; E129-R131 IonicContact OE2-NH2 2.88Å; E129-R131 PolarHBondContact OE2-NH2 3.06Å; R131-V153 HydrophobicContact CB-CB 3.85Å; R131-V153 HydrophobicContact CB-CG1 4.45Å; R131-V153 HydrophobicContact CB-CG2 3.96Å; R131-V153 HydrophobicContact CG-CB 3.7Å; R131-V153 HydrophobicContact CG-CG1 3.77Å; R131-V153 HydrophobicContact CG-CG2 4.17Å
132F98.6Very high91.8Very high1 Ų148.5 Ų48.50%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-105.4131.9-178.5-63.4-18.2000112.7I27 E28 V29 V66 S130 I139 Q141 S146 Y151I27-F132 HydrophobicContact CD1-CB 4.46Å; I27-F132 HydrophobicContact CD1-CD1 3.9Å; I27-F132 HydrophobicContact CD1-CD2 4.23Å; I27-F132 HydrophobicContact CD1-CE1 4.09Å; I27-F132 HydrophobicContact CD1-CE2 4.38Å; I27-F132 HydrophobicContact CD1-CG 3.97Å; I27-F132 HydrophobicContact CD1-CZ 4.33Å; E28-F132 WeakPolarHBondContact O-CA 3.37Å; V29-F132 HydrophobicContact CB-CD1 4.34Å; V29-F132 HydrophobicContact CB-CE1 4.29Å; V29-F132 HydrophobicContact CG1-CD1 4.14Å; V29-F132 HydrophobicContact CG1-CE1 3.81Å; V29-F132 HydrophobicContact CG2-CD1 3.81Å; V29-F132 HydrophobicContact CG2-CE1 3.67Å; V66-F132 HydrophobicContact CB-CD2 4.07Å; V66-F132 HydrophobicContact CB-CE2 3.87Å; V66-F132 HydrophobicContact CG1-CE2 4.17Å; V66-F132 HydrophobicContact CG2-CD2 3.87Å; V66-F132 HydrophobicContact CG2-CE2 4.02Å; S130-F132 PolarHBondContact OG-N 2.64Å; F132-I139 HydrophobicContact CB-CB 3.95Å; F132-I139 PolarHBondContact O-N 2.85Å; F132-Q141 HydrophobicContact CD2-CG 3.7Å; F132-Q141 HydrophobicContact CE2-CG 3.81Å; F132-Q141 HydrophobicContact CG-CG 4.21Å; F132-Q141 HydrophobicContact CZ-CG 4.37Å; F132-S146 VanDerWaalsContact CE2-CB 3.48Å; F132-Y151 WeakPolarHBondContact CE1-O 3.21Å
133T98.6Very high92.4Very high50 Ų5044.8 Ų44.831%0.30724%0.237SC..EExtended strand (participates in β ladder)trans-127.6138.9169.5-56.40000109E28 K137E28-T133 PolarHBondContact N-O 3.25Å; E28-T133 PolarHBondContact O-N 2.84Å; T133-K137 CarbonylContact C-O 3.56Å; T133-K137 VanDerWaalsContact CA-O 3.3Å; T133-K137 WeakPolarHBondContact CA-O 3.49Å; T133-K137 WeakPolarHBondContact CG2-O 3.45Å
134C98.6Very high92.9Very high3 Ų341.2 Ų41.22%0.0223%0.225CC..EExtended strand (participates in β ladder)trans-140.2131.6170.8-173.60000108.8W16 E26 I27 G136 K137 I139W16-C134 HydrophobicContact CH2-CB 4.3Å; E26-C134 PolarHBondContact O-SG 3.29Å; I27-C134 HydrophobicContact CB-CB 4.49Å; I27-C134 HydrophobicContact CG2-CB 3.91Å; C134-G136 PolarHBondContact O-N 2.58Å; C134-K137 PolarHBondContact N-O 3.37Å; C134-K137 WeakPolarHBondContact O-CB 3.49Å; C134-K137 PolarHBondContact O-N 3.03Å; C134-I139 HydrophobicContact CB-CD1 3.84Å; C134-I139 HydrophobicContact CB-CG1 3.63Å
135K97.7Very high93.5Very high144 Ų14440.9 Ų40.963%0.62622%0.223SC*.THydrogen-bonded Turntrans51.939.8-179.5-59.5172.8-175.6168.20113.1W16 E25 K137W16-K135 HydrophobicContact CH2-CD 4.21Å; W16-K135 HydrophobicContact CZ2-CD 4.06Å; E25-K135 IonicContact OE1-NZ 2.84Å; E25-K135 PolarHBondContact OE1-NZ 3.02Å; E25-K135 WeakPolarHBondContact OE2-CE 3.45Å; E25-K135 IonicContact OE2-NZ 3.78Å; E25-K135 PolarHBondContact OE2-NZ 2.54Å; K135-K137 PolarHBondContact O-N 3.26Å
136G96.7Very high94Very high77 Ų7740.3 Ų40.379%0.79422%0.221SC*.THydrogen-bonded Turntrans70.42.6-177.700000115.2C134C134-G136 PolarHBondContact O-N 2.58Å
137K97Very high94.6Very high127 Ų12740.3 Ų40.355%0.55222%0.22SC*.EExtended strand (participates in β ladder)trans-101.7141.9176.4-62.6-177.6179.7-176.70110.2W16 T133 C134 K135W16-K137 HydrophobicContact CZ3-CD 4.15Å; T133-K137 CarbonylContact C-O 3.56Å; T133-K137 VanDerWaalsContact CA-O 3.3Å; T133-K137 WeakPolarHBondContact CA-O 3.49Å; T133-K137 WeakPolarHBondContact CG2-O 3.45Å; C134-K137 PolarHBondContact N-O 3.37Å; C134-K137 WeakPolarHBondContact O-CB 3.49Å; C134-K137 PolarHBondContact O-N 3.03Å; K135-K137 PolarHBondContact O-N 3.26Å
138R96.8Very high95.4Very high116 Ų11639.7 Ų39.744%0.43821%0.212SC..EExtended strand (participates in β ladder)trans-67.5134.4169179.9179169-172.5-8.8109.3V128 E129 S130V128-R138 PolarHBondContact O-NH1 3.29Å; V128-R138 PolarHBondContact O-NH2 3.24Å; E129-R138 PolarHBondContact O-NH2 3.03Å; S130-R138 VanDerWaalsContact N-NH2 3.2Å
139I98.1Very high96.3Very high0 Ų035.8 Ų35.80%019%0.189CC..EExtended strand (participates in β ladder)trans-109.7137.1175-50.2-57.8000108.7V14 W16 P64 V66 S130 F132 C134V14-I139 HydrophobicContact CG1-CD1 4.29Å; V14-I139 HydrophobicContact CG1-CG2 4.26Å; W16-I139 HydrophobicContact CH2-CD1 4.08Å; W16-I139 HydrophobicContact CZ3-CD1 4.04Å; P64-I139 HydrophobicContact CB-CD1 3.87Å; P64-I139 HydrophobicContact CG-CD1 3.53Å; V66-I139 HydrophobicContact CG2-CG2 3.92Å; S130-I139 WeakPolarHBondContact CB-O 3.1Å; S130-I139 PolarHBondContact OG-O 3.1Å; F132-I139 HydrophobicContact CB-CB 3.95Å; F132-I139 PolarHBondContact O-N 2.85Å; C134-I139 HydrophobicContact CB-CD1 3.84Å; C134-I139 HydrophobicContact CB-CG1 3.63Å
140H96.8Very high96.8Very high30 Ų3033 Ų3314%0.13918%0.176CC..EExtended strand (participates in β ladder)trans-68.7147.5178-70.2-73.6000111.9P64 T65 V66 A126P64-H140 WeakPolarHBondContact O-CB 3.39Å; P64-H140 PolarHBondContact O-CD2 2.8Å; P64-H140 VanDerWaalsContact O-CD2 3.22Å; P64-H140 PolarHBondContact O-N 3.46Å; T65-H140 PolarHBondContact OG1-O 2.96Å; V66-H140 PolarHBondContact N-O 2.8Å; A126-H140 HydrophobicContact CB-CB 4.03Å
141Q95.3Very high97.1Very high13 Ų1334 Ų346%0.06118%0.177CC..EExtended strand (participates in β ladder)trans-97.8102.8167.4-76.1-177-97.700109.8F132 M143 G144 S146 T152 V153F132-Q141 HydrophobicContact CD2-CG 3.7Å; F132-Q141 HydrophobicContact CE2-CG 3.81Å; F132-Q141 HydrophobicContact CG-CG 4.21Å; F132-Q141 HydrophobicContact CZ-CG 4.37Å; Q141-M143 PolarHBondContact O-N 3.1Å; Q141-G144 PolarHBondContact O-N 3.33Å; Q141-S146 VanDerWaalsContact C-OG 3.28Å; Q141-S146 WeakPolarHBondContact CA-OG 3.31Å; Q141-T152 PolarHBondContact NE2-OG1 2.93Å; Q141-V153 PolarHBondContact NE2-O 3.41Å
142F95.2Very high97.1Very high0 Ų033.1 Ų33.10%017%0.174CC..BIsolated β-bridgetrans-57.1127.2174.8-177.3-111.7000111.2D50 H53 V66 L67 H69 M125 G144 T145 S146D50-F142 WeakPolarHBondContact OD1-CE1 3.49Å; H53-F142 HydrophobicContact CB-CE2 3.72Å; H53-F142 HydrophobicContact CB-CZ 4.23Å; H53-F142 AromaticContact CG-CE2 3.69Å; V66-F142 WeakPolarHBondContact O-CB 3.42Å; V66-F142 PolarHBondContact O-N 3.4Å; L67-F142 HydrophobicContact CD2-CB 4.18Å; L67-F142 HydrophobicContact CD2-CD1 4.3Å; L67-F142 HydrophobicContact CD2-CD2 3.83Å; L67-F142 HydrophobicContact CD2-CE2 4.24Å; L67-F142 HydrophobicContact CD2-CG 3.85Å; H69-F142 HydrophobicContact CB-CD1 4.37Å; H69-F142 HydrophobicContact CB-CE1 4.22Å; H69-F142 AromaticContact ND1-CE1 3.68Å; M125-F142 HydrophobicContact CB-CD2 4.02Å; M125-F142 HydrophobicContact CB-CE2 3.66Å; M125-F142 HydrophobicContact CE-CE2 3.74Å; M125-F142 HydrophobicContact CE-CZ 3.71Å; M125-F142 HydrophobicContact CG-CE2 4.42Å; M125-F142 HydrophobicContact SD-CE2 3.94Å; M125-F142 HydrophobicContact SD-CZ 4.41Å; F142-G144 PolarHBondContact O-N 2.77Å; F142-T145 PolarHBondContact O-N 3.36Å; F142-T145 PolarHBondContact O-OG1 3.02Å; F142-S146 PolarHBondContact N-OG 2.99Å; F142-S146 PolarHBondContact O-N 3.03Å; F142-S146 VanDerWaalsContact O-N 3.11Å
143M92.8Very high97.1Very high13 Ų1333.2 Ų33.26%0.06418%0.175CC..THydrogen-bonded Turntrans49.727.6178.2-60-175.273.800115.4H69 F95 W117 M125 Q141 T145H69-M143 HydrophobicContact CB-CB 4.14Å; H69-M143 HydrophobicContact CB-SD 3.99Å; F95-M143 HydrophobicContact CB-CB 4Å; F95-M143 HydrophobicContact CB-CE 3.65Å; F95-M143 HydrophobicContact CD1-CE 4.42Å; F95-M143 HydrophobicContact CD2-CE 3.42Å; F95-M143 VanDerWaalsContact CD2-CE 3.42Å; F95-M143 HydrophobicContact CE2-CE 4.13Å; F95-M143 HydrophobicContact CG-CE 3.59Å; W117-M143 VanDerWaalsContact CE2-CA 3.41Å; W117-M143 VanDerWaalsContact CE2-O 3.25Å; W117-M143 VanDerWaalsContact CH2-CA 3.46Å; W117-M143 HydrophobicContact CH2-CB 3.73Å; W117-M143 HydrophobicContact CH2-CE 4.32Å; W117-M143 HydrophobicContact CH2-CG 3.53Å; W117-M143 HydrophobicContact CZ2-CB 3.3Å; W117-M143 HydrophobicContact CZ2-CE 4.1Å; W117-M143 HydrophobicContact CZ2-CG 3.61Å; W117-M143 VanDerWaalsContact NE1-C 3.29Å; W117-M143 PolarHBondContact NE1-O 2.99Å; M125-M143 HydrophobicContact CE-CE 4.44Å; M125-M143 HydrophobicContact CE-CG 4.18Å; M125-M143 HydrophobicContact CE-SD 3.78Å; M125-M143 PolarHBondContact O-N 3.32Å; Q141-M143 PolarHBondContact O-N 3.1Å; M143-T145 PolarHBondContact O-N 3.2Å; M143-T145 VanDerWaalsContact O-N 3.15Å
144G90.7Very high97Very high18 Ų1831 Ų3119%0.18616%0.161CC..THydrogen-bonded Turntrans61.117.8-176.100000114.6Q141 F142Q141-G144 PolarHBondContact O-N 3.33Å; F142-G144 PolarHBondContact O-N 2.77Å
145T95.9Very high96.8Very high0 Ų033.5 Ų33.50%017%0.174CC..THydrogen-bonded Turntrans-127.4-55.7-172.849.30000112.3G68 H69 P93 F142 M143 T152G68-T145 PolarHBondContact O-OG1 2.94Å; H69-T145 VanDerWaalsContact CA-OG1 3.29Å; H69-T145 WeakPolarHBondContact CA-OG1 3.44Å; H69-T145 WeakPolarHBondContact CB-OG1 3.49Å; P93-T145 HydrophobicContact CB-CG2 3.77Å; F142-T145 PolarHBondContact O-N 3.36Å; F142-T145 PolarHBondContact O-OG1 3.02Å; M143-T145 PolarHBondContact O-N 3.2Å; M143-T145 VanDerWaalsContact O-N 3.15Å; T145-T152 WeakPolarHBondContact O-CB 3.33Å; T145-T152 WeakPolarHBondContact O-CG2 3.46Å; T145-T152 PolarHBondContact O-OG1 2.94Å
146S97.8Very high96.7Very high0 Ų028.3 Ų28.30%015%0.152CC..  trans45.468.2178.3-67.60000115.3V66 L67 G68 F132 Q141 F142V66-S146 VanDerWaalsContact O-CB 3.26Å; V66-S146 WeakPolarHBondContact O-CB 3.01Å; V66-S146 PolarHBondContact O-OG 2.88Å; L67-S146 CarbonylContact O-C 3.5Å; L67-S146 WeakPolarHBondContact O-CA 3.03Å; G68-S146 CarbonylContact O-C 3.57Å; G68-S146 VanDerWaalsContact O-CA 3.27Å; G68-S146 WeakPolarHBondContact O-CA 3.48Å; G68-S146 PolarHBondContact O-N 3.37Å; G68-S146 VanDerWaalsContact O-N 3.16Å; F132-S146 VanDerWaalsContact CE2-CB 3.48Å; Q141-S146 VanDerWaalsContact C-OG 3.28Å; Q141-S146 WeakPolarHBondContact CA-OG 3.31Å; F142-S146 PolarHBondContact N-OG 2.99Å; F142-S146 PolarHBondContact O-N 3.03Å; F142-S146 VanDerWaalsContact O-N 3.11Å
147T98.6Very high96.7Very high1 Ų125.6 Ų25.61%0.00612%0.119CC..  trans-89.8-4.5-172.163.40000113.6I41 T44 L67 G68 H69 P93 S149I41-T147 HydrophobicContact CD1-CG2 4.22Å; T44-T147 PolarHBondContact OG1-OG1 3.15Å; L67-T147 PolarHBondContact O-N 2.92Å; G68-T147 WeakPolarHBondContact CA-OG1 3.34Å; G68-T147 PolarHBondContact O-N 2.82Å; G68-T147 PolarHBondContact O-OG1 3.16Å; H69-T147 PolarHBondContact N-OG1 3.16Å; P93-T147 HydrophobicContact CB-CG2 4.11Å; P93-T147 HydrophobicContact CG-CG2 4.01Å; T147-S149 PolarHBondContact O-N 3.18Å
148F98.7Very high96.7Very high4 Ų419.8 Ų19.82%0.01810%0.095CC..SBendtrans-78.342.9167.2-61.1-8000112A12 A13 T44 V46 D50 V66 L67 G68 L353 V356A12-F148 WeakPolarHBondContact CA-O 3.29Å; A13-F148 HydrophobicContact CB-CB 4.04Å; A13-F148 PolarHBondContact N-O 3.31Å; T44-F148 HydrophobicContact CG2-CD1 3.74Å; T44-F148 HydrophobicContact CG2-CE1 4.11Å; V46-F148 HydrophobicContact CB-CZ 4.4Å; V46-F148 HydrophobicContact CG1-CZ 4.5Å; V46-F148 HydrophobicContact CG2-CE1 4.35Å; V46-F148 HydrophobicContact CG2-CZ 3.91Å; D50-F148 HydrophobicContact CB-CE2 4.48Å; D50-F148 HydrophobicContact CB-CZ 4.44Å; V66-F148 HydrophobicContact CG1-CB 4.23Å; V66-F148 WeakPolarHBondContact CG1-O 3.47Å; L67-F148 HydrophobicContact CB-CD2 3.63Å; L67-F148 HydrophobicContact CB-CE2 3.78Å; L67-F148 WeakPolarHBondContact O-CB 2.97Å; L67-F148 PolarHBondContact O-N 3.11Å; G68-F148 VanDerWaalsContact CA-CE1 3.48Å; F148-L353 HydrophobicContact CB-CD1 4.37Å; F148-V356 HydrophobicContact CD2-CG2 3.81Å; F148-V356 HydrophobicContact CE2-CG2 3.93Å; F148-V356 HydrophobicContact CG-CG2 4.35Å
149S98.8Very high96.7Very high3 Ų314.3 Ų14.32%0.0217%0.074CC..BIsolated β-bridgetrans-145.1148.1175.9-178.80000109.8R11 I41 T147 Y151R11-S149 PolarHBondContact O-OG 3.23Å; I41-S149 VanDerWaalsContact CB-O 3.29Å; I41-S149 WeakPolarHBondContact CB-O 3.32Å; I41-S149 VanDerWaalsContact CG1-O 3.29Å; I41-S149 WeakPolarHBondContact CG1-O 3.31Å; T147-S149 PolarHBondContact O-N 3.18Å; S149-Y151 PolarHBondContact O-N 2.8Å; S149-Y151 PolarHBondContact OG-N 2.91Å; S149-Y151 PolarHBondContact OG-O 2.62Å
150E98.8Very high96.7Very high57 Ų5714.5 Ų14.527%0.2668%0.075SC..SBendtrans-62.7-27.9175-67.1177.1148.800112.6C10 R11 K40 I41 L353C10-E150 HydrophobicContact CB-CB 4.01Å; C10-E150 WeakPolarHBondContact CB-OE2 3.29Å; R11-E150 HydrophobicContact CB-CG 4.35Å; R11-E150 IonicContact CZ-OE1 3.06Å; R11-E150 VanDerWaalsContact CZ-OE1 3.31Å; R11-E150 PolarHBondContact N-OE2 2.77Å; R11-E150 IonicContact NE-OE1 2.64Å; R11-E150 PolarHBondContact NE-OE1 2.91Å; R11-E150 IonicContact NE-OE2 2.73Å; R11-E150 IonicContact NH2-OE1 3.99Å; R11-E150 PolarHBondContact NH2-OE1 2.8Å; R11-E150 PolarHBondContact O-N 2.84Å; K40-E150 CarbonylContact C-O 3.56Å; K40-E150 WeakPolarHBondContact CA-O 3.4Å; I41-E150 PolarHBondContact N-O 3.44Å; E150-L353 HydrophobicContact CG-CD2 4.36Å
151Y98.9Very high96.8Very high39 Ų3917.1 Ų17.115%0.1539%0.086CC..EExtended strand (participates in β ladder)trans-138.1138.6175.1-67.7-95.9000111.7I8 C10 I39 K40 E76 F132 S149I8-Y151 HydrophobicContact CD1-CD1 3.8Å; I8-Y151 HydrophobicContact CD1-CE1 3.85Å; I8-Y151 HydrophobicContact CD1-CG 4.15Å; I8-Y151 HydrophobicContact CG2-CD2 3.81Å; I8-Y151 HydrophobicContact CG2-CE2 4.08Å; I8-Y151 HydrophobicContact CG2-CG 4.22Å; C10-Y151 HydrophobicContact CB-CD2 3.79Å; C10-Y151 HydrophobicContact CB-CE2 4.36Å; I39-Y151 VanDerWaalsContact O-CA 3.31Å; I39-Y151 WeakPolarHBondContact O-CA 3.46Å; K40-Y151 HydrophobicContact CB-CD1 3.93Å; K40-Y151 HydrophobicContact CB-CE1 3.51Å; K40-Y151 HydrophobicContact CD-CE1 4.21Å; K40-Y151 HydrophobicContact CG-CD1 4.33Å; K40-Y151 HydrophobicContact CG-CE1 3.74Å; K40-Y151 HydrophobicContact CG-CE2 4.32Å; E76-Y151 HydrophobicContact CB-CD1 4.44Å; E76-Y151 HydrophobicContact CB-CE1 4.13Å; E76-Y151 HydrophobicContact CG-CE1 3.99Å; F132-Y151 WeakPolarHBondContact CE1-O 3.21Å; S149-Y151 PolarHBondContact O-N 2.8Å; S149-Y151 PolarHBondContact OG-N 2.91Å; S149-Y151 PolarHBondContact OG-O 2.62Å
152T98.7Very high97Very high0 Ų017.1 Ų17.10%09%0.086CC..EExtended strand (participates in β ladder)trans-134.2156.7173.4-172.20000111.2R38 I39 I41 Q141 T145 I154R38-T152 CarbonylContact C-O 3.54Å; R38-T152 VanDerWaalsContact CA-O 3.31Å; R38-T152 WeakPolarHBondContact CA-O 3.46Å; R38-T152 WeakPolarHBondContact CG-O 3.4Å; I39-T152 HydrophobicContact CB-CG2 4.41Å; I39-T152 PolarHBondContact N-O 3.15Å; I39-T152 PolarHBondContact O-N 2.81Å; I41-T152 HydrophobicContact CD1-CG2 3.78Å; I41-T152 HydrophobicContact CG1-CG2 4.11Å; Q141-T152 PolarHBondContact NE2-OG1 2.93Å; T145-T152 WeakPolarHBondContact O-CB 3.33Å; T145-T152 WeakPolarHBondContact O-CG2 3.46Å; T145-T152 PolarHBondContact O-OG1 2.94Å; T152-I154 HydrophobicContact CG2-CD1 3.55Å; T152-I154 HydrophobicContact CG2-CG1 3.96Å
153V98.5Very high97.1Very high3 Ų320.2 Ų20.22%0.01810%0.103CC..EExtended strand (participates in β ladder)trans-117.8125.7175.4-179.10000109.2V29 A30 P32 E36 V37 R38 R131 Q141V29-V153 HydrophobicContact CG1-CG2 3.79Å; A30-V153 WeakPolarHBondContact O-CG2 3.5Å; P32-V153 HydrophobicContact CB-CG1 4.08Å; E36-V153 HydrophobicContact CB-CG1 3.82Å; E36-V153 HydrophobicContact CG-CG1 4.41Å; E36-V153 WeakPolarHBondContact OE2-CG1 3.37Å; V37-V153 WeakPolarHBondContact O-CA 3.36Å; R38-V153 HydrophobicContact CB-CG2 4Å; R38-V153 HydrophobicContact CG-CG2 3.8Å; R131-V153 HydrophobicContact CB-CB 3.85Å; R131-V153 HydrophobicContact CB-CG1 4.45Å; R131-V153 HydrophobicContact CB-CG2 3.96Å; R131-V153 HydrophobicContact CG-CB 3.7Å; R131-V153 HydrophobicContact CG-CG1 3.77Å; R131-V153 HydrophobicContact CG-CG2 4.17Å; Q141-V153 PolarHBondContact NE2-O 3.41Å
154I96.2Very high97.3Very high3 Ų324.5 Ų24.52%0.01513%0.132CC..EExtended strand (participates in β ladder)trans-133.7145.6-171.2-57.7162.4000109.2E36 V37 I39 P93 T152 A158 V159E36-I154 CarbonylContact C-O 3.59Å; E36-I154 WeakPolarHBondContact CA-O 3.38Å; V37-I154 PolarHBondContact N-O 3.4Å; V37-I154 PolarHBondContact O-N 2.85Å; I39-I154 HydrophobicContact CD1-CD1 4.09Å; P93-I154 HydrophobicContact CB-CD1 3.49Å; P93-I154 VanDerWaalsContact CB-CD1 3.49Å; P93-I154 HydrophobicContact CG-CD1 3.53Å; T152-I154 HydrophobicContact CG2-CD1 3.55Å; T152-I154 HydrophobicContact CG2-CG1 3.96Å; I154-A158 HydrophobicContact CG2-CB 3.8Å; I154-V159 HydrophobicContact CB-CG2 3.81Å; I154-V159 HydrophobicContact CD1-CG2 4.49Å; I154-V159 HydrophobicContact CG2-CG2 3.57Å
155N95.4Very high97.7Very high55 Ų5527.1 Ų27.129%0.29415%0.151SC..EExtended strand (participates in β ladder)trans-65.9135.2171.9-164.8-72.7000110.7I157 A158N155-I157 HydrophobicContact CB-CG1 4.35Å; N155-I157 PolarHBondContact O-N 3.33Å; N155-I157 VanDerWaalsContact OD1-CG1 3.29Å; N155-I157 WeakPolarHBondContact OD1-CG1 3.47Å; N155-I157 PolarHBondContact OD1-N 2.56Å; N155-A158 WeakPolarHBondContact O-CA 3.27Å; N155-A158 WeakPolarHBondContact O-CB 3.48Å; N155-A158 PolarHBondContact O-N 2.87Å
156Q96.4Very high97.8Very high36 Ų3627.1 Ų27.117%0.16815%0.151CC..G310 helixtrans-56.9-22.8-175.469.9178.6-44.500114.7G35 V37 G81 V82 F85 A158 K326G35-Q156 WeakPolarHBondContact O-CB 3.4Å; G35-Q156 WeakPolarHBondContact O-CG 3.27Å; G35-Q156 PolarHBondContact O-N 3.12Å; V37-Q156 HydrophobicContact CG2-CB 4.03Å; G81-Q156 PolarHBondContact O-NE2 3.39Å; V82-Q156 HydrophobicContact CG2-CB 4.31Å; F85-Q156 HydrophobicContact CD2-CB 4.32Å; F85-Q156 HydrophobicContact CE2-CB 4.17Å; Q156-A158 PolarHBondContact O-N 3.18Å; Q156-K326 PolarHBondContact O-NZ 3.34Å
157I95.8Very high97.8Very high20 Ų2028.9 Ų28.910%0.10316%0.163CC..G310 helixtrans-71.4-13175.372.8-178.5000112.8C97 Q98 C99 R115 N155C97-I157 CarbonylContact C-O 3.51Å; C97-I157 WeakPolarHBondContact CA-O 3.47Å; C97-I157 HydrophobicContact CB-CD1 4.03Å; C97-I157 HydrophobicContact CB-CG1 3.89Å; Q98-I157 PolarHBondContact N-O 2.98Å; C99-I157 HydrophobicContact CB-CB 4.25Å; C99-I157 HydrophobicContact CB-CD1 4.25Å; C99-I157 HydrophobicContact CB-CG2 3.97Å; R115-I157 HydrophobicContact CB-CD1 3.82Å; N155-I157 HydrophobicContact CB-CG1 4.35Å; N155-I157 PolarHBondContact O-N 3.33Å; N155-I157 VanDerWaalsContact OD1-CG1 3.29Å; N155-I157 WeakPolarHBondContact OD1-CG1 3.47Å; N155-I157 PolarHBondContact OD1-N 2.56Å
158A96.2Very high97.8Very high5 Ų529.3 Ų29.34%0.04117%0.165CC..G310 helixtrans-116.826.2-176.700000111.4L94 I154 N155 Q156L94-A158 WeakPolarHBondContact CB-O 3.5Å; L94-A158 PolarHBondContact N-O 3.04Å; L94-A158 WeakPolarHBondContact O-CB 3.38Å; I154-A158 HydrophobicContact CG2-CB 3.8Å; N155-A158 WeakPolarHBondContact O-CA 3.27Å; N155-A158 WeakPolarHBondContact O-CB 3.48Å; N155-A158 PolarHBondContact O-N 2.87Å; Q156-A158 PolarHBondContact O-N 3.18Å
159V97.9Very high97.7Very high0 Ų033 Ų330%019%0.185CC..EExtended strand (participates in β ladder)trans-134.8138.9176.8-175.70000107.5I39 F85 A91 I154 K326I39-V159 HydrophobicContact CD1-CG1 3.76Å; I39-V159 HydrophobicContact CD1-CG2 4.1Å; F85-V159 HydrophobicContact CD1-CG1 4.43Å; F85-V159 HydrophobicContact CE1-CB 4.26Å; F85-V159 HydrophobicContact CE1-CG1 3.62Å; F85-V159 HydrophobicContact CE2-CB 4.24Å; F85-V159 HydrophobicContact CE2-CG1 4.44Å; F85-V159 HydrophobicContact CZ-CB 3.76Å; F85-V159 HydrophobicContact CZ-CG1 3.64Å; F85-V159 WeakPolarHBondContact CZ-O 3.37Å; A91-V159 HydrophobicContact CB-CG1 3.69Å; I154-V159 HydrophobicContact CB-CG2 3.81Å; I154-V159 HydrophobicContact CD1-CG2 4.49Å; I154-V159 HydrophobicContact CG2-CG2 3.57Å; V159-K326 WeakPolarHBondContact O-CD 3.29Å; V159-K326 WeakPolarHBondContact O-CE 3.49Å; V159-K326 PolarHBondContact O-NZ 2.89Å; V159-K326 VanDerWaalsContact O-NZ 3.11Å
160T97.9Very high97.7Very high4 Ų435.2 Ų35.23%0.02519%0.194CC..EExtended strand (participates in β ladder)trans-113.1134.5168-129.90000111.3A91 I92 I162 K326 V329 A330A91-T160 CarbonylContact C-O 3.56Å; A91-T160 WeakPolarHBondContact CA-O 3.21Å; I92-T160 HydrophobicContact CB-CG2 4.45Å; I92-T160 PolarHBondContact N-O 3.23Å; I92-T160 PolarHBondContact O-N 3.18Å; T160-I162 HydrophobicContact CG2-CG2 3.47Å; T160-I162 VanDerWaalsContact CG2-CG2 3.47Å; T160-K326 VanDerWaalsContact OG1-C 3.25Å; T160-K326 WeakPolarHBondContact OG1-CA 3.29Å; T160-K326 WeakPolarHBondContact OG1-CB 3.37Å; T160-K326 PolarHBondContact OG1-O 3.46Å; T160-V329 HydrophobicContact CG2-CB 4.01Å; T160-V329 HydrophobicContact CG2-CG1 3.71Å; T160-A330 HydrophobicContact CG2-CB 4.46Å
161K98.4Very high97.6Very high86 Ų8632.5 Ų32.537%0.37418%0.182SC..EExtended strand (participates in β ladder)trans-77.3136.8169.1-177.5171.2179157.70108.9F85 D89F85-K161 HydrophobicContact CD1-CB 4.22Å; F85-K161 HydrophobicContact CE1-CB 3.7Å; F85-K161 HydrophobicContact CZ-CB 4.47Å; D89-K161 HydrophobicContact CB-CD 4.46Å; D89-K161 WeakPolarHBondContact OD1-CE 3.43Å; D89-K161 IonicContact OD1-NZ 2.78Å; D89-K161 PolarHBondContact OD1-NZ 3.14Å; D89-K161 WeakPolarHBondContact OD2-CE 3.27Å; D89-K161 IonicContact OD2-NZ 2.76Å; D89-K161 PolarHBondContact OD2-NZ 2.96Å
162I98.6Very high97.6Very high12 Ų1230.9 Ų30.96%0.06218%0.176CC..  trans-125.6169.1-175.961.2163.4000111.6K90 I92 T160 A166 L168 V171 V333K90-I162 HydrophobicContact CB-CD1 4.06Å; K90-I162 HydrophobicContact CB-CG1 3.63Å; K90-I162 WeakPolarHBondContact O-CG1 3.07Å; K90-I162 PolarHBondContact O-N 3.24Å; I92-I162 HydrophobicContact CD1-CD1 4.12Å; I92-I162 HydrophobicContact CD1-CG2 3.96Å; I92-I162 HydrophobicContact CG1-CD1 4.02Å; I92-I162 HydrophobicContact CG1-CG2 4.14Å; T160-I162 HydrophobicContact CG2-CG2 3.47Å; T160-I162 VanDerWaalsContact CG2-CG2 3.47Å; I162-A166 HydrophobicContact CD1-CB 3.96Å; I162-L168 HydrophobicContact CD1-CD2 3.83Å; I162-V171 HydrophobicContact CD1-CG2 3.76Å; I162-V333 HydrophobicContact CB-CG1 4.3Å; I162-V333 HydrophobicContact CB-CG2 4.26Å; I162-V333 HydrophobicContact CG2-CG2 3.84Å
163D97.8Very high97.5Very high66 Ų6631.8 Ų31.835%0.35318%0.181SC..  trans-58.8132.4179.9-167.3-64.1000111.2A165 A166 V333 L337D163-A165 PolarHBondContact O-N 2.9Å; D163-A165 VanDerWaalsContact OD1-CB 3.24Å; D163-A165 WeakPolarHBondContact OD1-CB 3.06Å; D163-A165 PolarHBondContact OD1-N 2.66Å; D163-A166 WeakPolarHBondContact O-CB 3.32Å; D163-A166 PolarHBondContact O-N 2.86Å; D163-V333 HydrophobicContact CB-CG1 4.35Å; D163-L337 HydrophobicContact CB-CD1 3.68Å
164P97.8Very high97.5Very high103 Ų10331.6 Ų31.667%0.66918%0.18SC*.THydrogen-bonded Turntrans-61.9-22179.826.1-35.5000113.6K90 A166K90-P164 WeakPolarHBondContact CD-O 3.26Å; K90-P164 VanDerWaalsContact CE-O 3.25Å; K90-P164 WeakPolarHBondContact CE-O 3.41Å; K90-P164 PolarHBondContact NZ-O 3.32Å; P164-A166 VanDerWaalsContact C-N 3.33Å
165A97.7Very high97.5Very high72 Ų7231.5 Ų31.560%0.59518%0.179SC*.THydrogen-bonded Turntrans-80.2-11.2175.600000113.4D163D163-A165 PolarHBondContact O-N 2.9Å; D163-A165 VanDerWaalsContact OD1-CB 3.24Å; D163-A165 WeakPolarHBondContact OD1-CB 3.06Å; D163-A165 PolarHBondContact OD1-N 2.66Å
166A98.3Very high97.5Very high0 Ų029.3 Ų29.30%017%0.168CC..SBendtrans-63.7127.6-176.900000112.4K90 I162 D163 P164 L168 V171 V333K90-A166 PolarHBondContact NZ-O 3.5Å; I162-A166 HydrophobicContact CD1-CB 3.96Å; D163-A166 WeakPolarHBondContact O-CB 3.32Å; D163-A166 PolarHBondContact O-N 2.86Å; P164-A166 VanDerWaalsContact C-N 3.33Å; A166-L168 PolarHBondContact O-N 2.94Å; A166-V171 HydrophobicContact CB-CG1 4.15Å; A166-V171 HydrophobicContact CB-CG2 4.15Å; A166-V333 HydrophobicContact CB-CG1 3.84Å
167P98.3Very high97.4Very high38 Ų3827.8 Ų27.825%0.24716%0.162CC..  trans-74.3110.6174.129.1-32.4000110.1D169 K170 V171 F336P167-D169 VanDerWaalsContact C-N 3.27Å; P167-D169 WeakPolarHBondContact CB-OD1 3.46Å; P167-D169 PolarHBondContact O-N 2.92Å; P167-K170 HydrophobicContact CB-CD 4.33Å; P167-K170 HydrophobicContact CB-CG 4.31Å; P167-K170 HydrophobicContact CG-CB 4.19Å; P167-K170 HydrophobicContact CG-CD 3.92Å; P167-K170 HydrophobicContact CG-CG 4.19Å; P167-K170 PolarHBondContact O-N 3.11Å; P167-V171 WeakPolarHBondContact O-CG2 3.21Å; P167-V171 PolarHBondContact O-N 2.93Å; P167-F336 HydrophobicContact CG-CE1 3.65Å; P167-F336 HydrophobicContact CG-CZ 4.2Å
168L98.6Very high97.4Very high9 Ų926.9 Ų26.95%0.04716%0.157CC..Hα-helixtrans-64.8-30.2-170.6-65.6175.9000113V42 A72 I74 K90 I162 A166 K170 V171 C172V42-L168 HydrophobicContact CB-CB 4.16Å; V42-L168 HydrophobicContact CB-CD1 3.74Å; V42-L168 HydrophobicContact CG1-CB 4Å; V42-L168 HydrophobicContact CG1-CD1 3.99Å; V42-L168 HydrophobicContact CG2-CD1 3.66Å; A72-L168 HydrophobicContact CB-CB 4.09Å; A72-L168 HydrophobicContact CB-CD2 3.76Å; A72-L168 WeakPolarHBondContact CB-O 3.3Å; I74-L168 HydrophobicContact CD1-CD1 4.33Å; I74-L168 HydrophobicContact CG1-CD1 3.87Å; K90-L168 HydrophobicContact CB-CD2 4.17Å; K90-L168 HydrophobicContact CD-CD1 4.27Å; K90-L168 HydrophobicContact CD-CD2 3.89Å; K90-L168 HydrophobicContact CD-CG 4.07Å; K90-L168 HydrophobicContact CG-CD1 4.28Å; K90-L168 HydrophobicContact CG-CD2 4.1Å; K90-L168 HydrophobicContact CG-CG 4.48Å; I162-L168 HydrophobicContact CD1-CD2 3.83Å; A166-L168 PolarHBondContact O-N 2.94Å; L168-K170 PolarHBondContact O-N 2.72Å; L168-V171 HydrophobicContact CD2-CG2 4.37Å; L168-C172 PolarHBondContact O-N 3.11Å
169D97.1Very high97.6Very high81 Ų8126.7 Ų26.743%0.43316%0.155SC..Hα-helixtrans-65-15.6173.559.4-46.8000114A43 P167A43-D169 HydrophobicContact CB-CB 4.37Å; P167-D169 VanDerWaalsContact C-N 3.27Å; P167-D169 WeakPolarHBondContact CB-OD1 3.46Å; P167-D169 PolarHBondContact O-N 2.92Å
170K97.8Very high97.6Very high50 Ų5027 Ų2722%0.21716%0.158CC..Hα-helixtrans-109.8-46.6176.6-52.2-175.1-179.9-165.30112.3P167 L168 C172 L173 F336 L343 D344 I347P167-K170 HydrophobicContact CB-CD 4.33Å; P167-K170 HydrophobicContact CB-CG 4.31Å; P167-K170 HydrophobicContact CG-CB 4.19Å; P167-K170 HydrophobicContact CG-CD 3.92Å; P167-K170 HydrophobicContact CG-CG 4.19Å; P167-K170 PolarHBondContact O-N 3.11Å; L168-K170 PolarHBondContact O-N 2.72Å; K170-C172 PolarHBondContact O-N 3.04Å; K170-L173 PolarHBondContact O-N 3.14Å; K170-F336 HydrophobicContact CB-CE1 4.44Å; K170-F336 HydrophobicContact CB-CZ 4.17Å; K170-F336 HydrophobicContact CD-CZ 3.78Å; K170-L343 HydrophobicContact CB-CD1 4.44Å; K170-D344 VanDerWaalsContact CD-OD1 3.29Å; K170-D344 WeakPolarHBondContact CD-OD1 3.33Å; K170-D344 WeakPolarHBondContact CE-OD1 3.41Å; K170-D344 IonicContact NZ-OD1 3.76Å; K170-D344 PolarHBondContact NZ-OD1 3.4Å; K170-D344 IonicContact NZ-OD2 2.86Å; K170-D344 PolarHBondContact NZ-OD2 3.45Å; K170-I347 HydrophobicContact CB-CD1 4.22Å; K170-I347 HydrophobicContact CG-CD1 3.99Å
171V98.4Very high97.6Very high0 Ų026.9 Ų26.90%016%0.157CC..Hα-helixtrans-74-9.5-173.7-58.10000113.6A72 I92 I162 A166 P167 L168 L173 L174 V333 F336 L343A72-V171 HydrophobicContact CB-CG2 4.34Å; I92-V171 HydrophobicContact CD1-CB 4.22Å; I92-V171 HydrophobicContact CD1-CG2 4.09Å; I92-V171 VanDerWaalsContact CD1-O 3.29Å; I92-V171 WeakPolarHBondContact CD1-O 3.48Å; I162-V171 HydrophobicContact CD1-CG2 3.76Å; A166-V171 HydrophobicContact CB-CG1 4.15Å; A166-V171 HydrophobicContact CB-CG2 4.15Å; P167-V171 WeakPolarHBondContact O-CG2 3.21Å; P167-V171 PolarHBondContact O-N 2.93Å; L168-V171 HydrophobicContact CD2-CG2 4.37Å; V171-L173 PolarHBondContact O-N 3.06Å; V171-L174 HydrophobicContact CB-CD1 4.17Å; V171-L174 HydrophobicContact CG1-CD1 4.34Å; V171-L174 VanDerWaalsContact O-CB 3.31Å; V171-L174 WeakPolarHBondContact O-CB 3.31Å; V171-L174 PolarHBondContact O-N 3.24Å; V171-V333 HydrophobicContact CB-CG2 4.3Å; V171-V333 HydrophobicContact CG1-CG2 4.43Å; V171-F336 HydrophobicContact CG1-CD1 3.72Å; V171-F336 HydrophobicContact CG1-CE1 4.02Å; V171-L343 HydrophobicContact CG1-CD1 4.23Å
172C97.6Very high97.6Very high5 Ų524.5 Ų24.53%0.03415%0.146CC..G310 helixtrans-54.1-34.917055.70000112.6A43 A72 L168 K170 L174 G175A43-C172 HydrophobicContact CB-CB 4.46Å; A72-C172 HydrophobicContact CB-CB 3.84Å; L168-C172 PolarHBondContact O-N 3.11Å; K170-C172 PolarHBondContact O-N 3.04Å; C172-L174 PolarHBondContact O-N 2.94Å; C172-L174 VanDerWaalsContact O-N 3.1Å; C172-G175 PolarHBondContact O-N 3.18Å
173L97.1Very high97.6Very high19 Ų1924 Ų2410%0.09914%0.143CC..G310 helixtrans-61.2-20176.6-60.8179.5000113.9K170 V171 G175 I178 F346 I347K170-L173 PolarHBondContact O-N 3.14Å; V171-L173 PolarHBondContact O-N 3.06Å; L173-G175 PolarHBondContact O-N 3.26Å; L173-I178 HydrophobicContact CB-CG1 3.76Å; L173-I178 PolarHBondContact O-N 3.12Å; L173-F346 HydrophobicContact CD1-CB 3.9Å; L173-I347 HydrophobicContact CD1-CD1 4.23Å; L173-I347 HydrophobicContact CD1-CG1 3.72Å
174L98.1Very high97.7Very high0 Ų020.8 Ų20.80%013%0.126CC..G310 helixtrans-77.8-9.3176.4-60.5177.4000112.4I92 V171 C172 C176 I178 C179 V329 M332 V333 L343I92-L174 HydrophobicContact CD1-CB 4.43Å; V171-L174 HydrophobicContact CB-CD1 4.17Å; V171-L174 HydrophobicContact CG1-CD1 4.34Å; V171-L174 VanDerWaalsContact O-CB 3.31Å; V171-L174 WeakPolarHBondContact O-CB 3.31Å; V171-L174 PolarHBondContact O-N 3.24Å; C172-L174 PolarHBondContact O-N 2.94Å; C172-L174 VanDerWaalsContact O-N 3.1Å; L174-C176 VanDerWaalsContact C-N 3.32Å; L174-I178 HydrophobicContact CD2-CB 3.96Å; L174-I178 HydrophobicContact CD2-CG2 3.78Å; L174-C179 PolarHBondContact O-SG 2.75Å; L174-V329 HydrophobicContact CB-CG1 4.3Å; L174-V329 WeakPolarHBondContact O-CG2 3.33Å; L174-M332 HydrophobicContact CD1-CB 4.04Å; L174-M332 HydrophobicContact CD2-CB 3.92Å; L174-M332 HydrophobicContact CD2-CE 4.33Å; L174-M332 HydrophobicContact CG-CB 4.49Å; L174-V333 HydrophobicContact CD1-CB 4.27Å; L174-V333 HydrophobicContact CD1-CG2 3.56Å; L174-L343 HydrophobicContact CD1-CD1 4.22Å; L174-L343 HydrophobicContact CD2-CD1 4.38Å; L174-L343 HydrophobicContact CD2-CD2 3.83Å; L174-L343 HydrophobicContact CG-CD1 4.13Å; L174-L343 HydrophobicContact CG-CD2 4.32Å
175G96.6Very high97.7Very high0 Ų015.9 Ų15.90%09%0.094CC..G310 helixtrans-70.6-22.8175.200000114.2C172 L173 F320C172-G175 PolarHBondContact O-N 3.18Å; L173-G175 PolarHBondContact O-N 3.26Å; G175-F320 WeakPolarHBondContact O-CE2 3.48Å
176C95.9Very high97.8Very high10 Ų1014.4 Ų14.47%0.0688%0.077CC..THydrogen-bonded Turntrans-150.2-85.1172.9-178.10000112.3H69 E70 F95 L174 I178 C179 T180H69-C176 PolarHBondContact NE2-SG 3.23Å; H69-C176 VanDerWaalsContact NE2-SG 3.41Å; E70-C176 HydrophobicContact CG-CB 3.45Å; E70-C176 VanDerWaalsContact CG-CB 3.45Å; E70-C176 VanDerWaalsContact OE1-CB 3.22Å; E70-C176 WeakPolarHBondContact OE1-CB 3.45Å; F95-C176 HydrophobicContact CD1-CB 4.21Å; F95-C176 HydrophobicContact CE1-CB 3.85Å; L174-C176 VanDerWaalsContact C-N 3.32Å; C176-I178 PolarHBondContact O-N 3.39Å; C176-I178 VanDerWaalsContact O-N 3.14Å; C176-C179 PolarHBondContact O-N 2.88Å; C176-T180 WeakPolarHBondContact O-CB 3.09Å; C176-T180 PolarHBondContact O-N 3Å; C176-T180 PolarHBondContact O-OG1 2.94Å
177G93Very high97.8Very high3 Ų317.2 Ų17.23%0.0319%0.093CC..Hα-helixtrans-48.9-50-159.300000115.8E70 T180 G181E70-G177 PolarHBondContact OE1-N 3.33Å; G177-T180 PolarHBondContact O-N 3.5Å; G177-G181 PolarHBondContact O-N 3.45Å
178I97.4Very high97.8Very high2 Ų216.5 Ų16.51%0.019%0.087CC..Hα-helixtrans-68.4-48-175.8-56.3-62.4000111.6L173 L174 C176 T180 G181 Y182 A208 M211 M332 V341 L343 F346L173-I178 HydrophobicContact CB-CG1 3.76Å; L173-I178 PolarHBondContact O-N 3.12Å; L174-I178 HydrophobicContact CD2-CB 3.96Å; L174-I178 HydrophobicContact CD2-CG2 3.78Å; C176-I178 PolarHBondContact O-N 3.39Å; C176-I178 VanDerWaalsContact O-N 3.14Å; I178-T180 VanDerWaalsContact C-N 3.27Å; I178-T180 PolarHBondContact O-N 3.11Å; I178-G181 PolarHBondContact O-N 2.96Å; I178-Y182 WeakPolarHBondContact O-CB 3.37Å; I178-Y182 PolarHBondContact O-N 2.96Å; I178-A208 HydrophobicContact CD1-CB 4.11Å; I178-A208 HydrophobicContact CG2-CB 4.43Å; I178-M211 HydrophobicContact CG2-CE 4.07Å; I178-M332 HydrophobicContact CG2-CE 4.3Å; I178-V341 HydrophobicContact CG2-CG1 4.32Å; I178-L343 HydrophobicContact CB-CD2 4.3Å; I178-L343 HydrophobicContact CD1-CD2 4.4Å; I178-L343 HydrophobicContact CG1-CD2 3.8Å; I178-L343 HydrophobicContact CG2-CD2 3.94Å; I178-F346 HydrophobicContact CD1-CB 4.19Å; I178-F346 HydrophobicContact CD1-CD1 3.36Å; I178-F346 HydrophobicContact CD1-CD2 3.71Å; I178-F346 HydrophobicContact CD1-CE1 3.47Å; I178-F346 VanDerWaalsContact CD1-CE1 3.47Å; I178-F346 HydrophobicContact CD1-CE2 3.83Å; I178-F346 HydrophobicContact CD1-CG 3.48Å; I178-F346 VanDerWaalsContact CD1-CG 3.48Å; I178-F346 HydrophobicContact CD1-CZ 3.71Å
179C98.4Very high97.8Very high0 Ų016.3 Ų16.30%09%0.087CC..Hα-helixtrans-62.7-38.4177.5-75.30000111.1L174 C176 G183 F320 F323L174-C179 PolarHBondContact O-SG 2.75Å; C176-C179 PolarHBondContact O-N 2.88Å; C179-G183 WeakPolarHBondContact O-CA 3.32Å; C179-G183 PolarHBondContact O-N 3.29Å; C179-F320 HydrophobicContact CB-CD2 4.15Å; C179-F320 HydrophobicContact CB-CE1 4.46Å; C179-F320 HydrophobicContact CB-CE2 3.51Å; C179-F320 HydrophobicContact CB-CZ 3.72Å; C179-F323 HydrophobicContact CB-CD2 4.06Å; C179-F323 HydrophobicContact CB-CE2 4.3Å; C179-F323 WeakPolarHBondContact O-CD2 3.2Å; C179-F323 WeakPolarHBondContact O-CE2 3.21Å
180T98.6Very high97.9Very high8 Ų819.3 Ų19.35%0.04910%0.096CC..Hα-helixtrans-59-56.1177.5-62.70000111.6C176 G177 I178 A184 V205 V294 G321C176-T180 WeakPolarHBondContact O-CB 3.09Å; C176-T180 PolarHBondContact O-N 3Å; C176-T180 PolarHBondContact O-OG1 2.94Å; G177-T180 PolarHBondContact O-N 3.5Å; I178-T180 VanDerWaalsContact C-N 3.27Å; I178-T180 PolarHBondContact O-N 3.11Å; T180-A184 VanDerWaalsContact O-CB 3.27Å; T180-A184 WeakPolarHBondContact O-CB 3.3Å; T180-A184 PolarHBondContact O-N 3.31Å; T180-V205 HydrophobicContact CG2-CG1 3.93Å; T180-V294 HydrophobicContact CG2-CG1 3.48Å; T180-V294 VanDerWaalsContact CG2-CG1 3.48Å; T180-G321 VanDerWaalsContact O-CA 3.22Å; T180-G321 WeakPolarHBondContact O-CA 3.37Å
181G98.4Very high97.9Very high0 Ų017.6 Ų17.60%09%0.09CC..Hα-helixtrans-69.9-52.5-177.900000113.2G177 I178 G183 A184 A185 V205 A209G177-G181 PolarHBondContact O-N 3.45Å; I178-G181 PolarHBondContact O-N 2.96Å; G181-G183 VanDerWaalsContact C-N 3.32Å; G181-G183 PolarHBondContact O-N 3.47Å; G181-A184 WeakPolarHBondContact O-CB 3.29Å; G181-A184 PolarHBondContact O-N 3.16Å; G181-A184 VanDerWaalsContact O-N 3.13Å; G181-A185 PolarHBondContact O-N 3.48Å; G181-V205 VanDerWaalsContact CA-O 3.27Å; G181-V205 WeakPolarHBondContact CA-O 3.5Å; G181-A209 WeakPolarHBondContact O-CA 3.21Å
182Y98.8Very high97.9Very high37 Ų3723.9 Ų23.915%0.14512%0.119CC..Hα-helixtrans-58.5-47.1-178.6-174.3-88000111.1I178 A184 A185 V186 A208 M211 G212 A215 F323 M332I178-Y182 WeakPolarHBondContact O-CB 3.37Å; I178-Y182 PolarHBondContact O-N 2.96Å; Y182-A184 VanDerWaalsContact C-N 3.34Å; Y182-A184 PolarHBondContact O-N 3.44Å; Y182-A185 PolarHBondContact O-N 3.37Å; Y182-V186 HydrophobicContact CD1-CG1 4.29Å; Y182-V186 HydrophobicContact CD1-CG2 3.85Å; Y182-V186 HydrophobicContact CE1-CB 4.46Å; Y182-V186 HydrophobicContact CE1-CG1 3.88Å; Y182-V186 HydrophobicContact CE1-CG2 3.73Å; Y182-V186 WeakPolarHBondContact O-CG2 3.06Å; Y182-V186 PolarHBondContact O-N 2.96Å; Y182-A208 WeakPolarHBondContact CA-O 3.14Å; Y182-A208 PolarHBondContact N-O 3.01Å; Y182-M211 HydrophobicContact CD2-CE 3.93Å; Y182-M211 HydrophobicContact CD2-CG 4.16Å; Y182-M211 HydrophobicContact CE2-CG 4.25Å; Y182-G212 VanDerWaalsContact CD2-CA 3.49Å; Y182-A215 HydrophobicContact CE2-CB 3.8Å; Y182-A215 WeakPolarHBondContact OH-CB 3.24Å; Y182-F323 HydrophobicContact CD1-CZ 4.32Å; Y182-M332 HydrophobicContact CD1-CE 3.8Å; Y182-M332 HydrophobicContact CD1-SD 4.02Å; Y182-M332 HydrophobicContact CE1-CE 4.27Å; Y182-M332 HydrophobicContact CE1-SD 4.14Å; Y182-M332 HydrophobicContact CG-CE 3.98Å
183G98.8Very high98Very high0 Ų027.7 Ų27.70%015%0.151CC..Hα-helixtrans-66.5-33177.900000113.4C179 G181 A185 V186 N187 T188 G321 F323C179-G183 WeakPolarHBondContact O-CA 3.32Å; C179-G183 PolarHBondContact O-N 3.29Å; G181-G183 VanDerWaalsContact C-N 3.32Å; G181-G183 PolarHBondContact O-N 3.47Å; G183-A185 PolarHBondContact O-N 2.93Å; G183-V186 PolarHBondContact O-N 3.49Å; G183-N187 WeakPolarHBondContact CA-ND2 3.43Å; G183-N187 WeakPolarHBondContact O-CA 3.38Å; G183-N187 VanDerWaalsContact O-CB 3.29Å; G183-N187 WeakPolarHBondContact O-CB 2.97Å; G183-N187 PolarHBondContact O-N 3.06Å; G183-T188 PolarHBondContact O-N 3.05Å; G183-G321 VanDerWaalsContact C-CA 3.43Å; G183-G321 CarbonylContact C-O 3.6Å; G183-G321 WeakPolarHBondContact CA-O 3.42Å; G183-G321 VanDerWaalsContact O-O 3.04Å; G183-F323 VanDerWaalsContact CA-CE2 3.45Å
184A98.8Very high98.1Very high0 Ų029.2 Ų29.20%017%0.172CC..Iπ-helixtrans-59.8-38.9175.800000111.4T180 G181 Y182 T188 A189 L268 V292 V294T180-A184 VanDerWaalsContact O-CB 3.27Å; T180-A184 WeakPolarHBondContact O-CB 3.3Å; T180-A184 PolarHBondContact O-N 3.31Å; G181-A184 WeakPolarHBondContact O-CB 3.29Å; G181-A184 PolarHBondContact O-N 3.16Å; G181-A184 VanDerWaalsContact O-N 3.13Å; Y182-A184 VanDerWaalsContact C-N 3.34Å; Y182-A184 PolarHBondContact O-N 3.44Å; A184-T188 WeakPolarHBondContact O-CB 3.45Å; A184-A189 VanDerWaalsContact O-CB 3.3Å; A184-A189 WeakPolarHBondContact O-CB 3.48Å; A184-A189 PolarHBondContact O-N 3.13Å; A184-L268 HydrophobicContact CB-CD2 3.86Å; A184-V292 HydrophobicContact CB-CG1 4.45Å; A184-V294 HydrophobicContact CB-CG1 4.29Å; A184-V294 HydrophobicContact CB-CG2 3.56Å
185A98.8Very high98.1Very high0 Ų029.6 Ų29.60%017%0.174CC..Iπ-helixtrans-71.2-56.1173.500000112.3G181 Y182 G183 A189 K190 V191 L268G181-A185 PolarHBondContact O-N 3.48Å; Y182-A185 PolarHBondContact O-N 3.37Å; G183-A185 PolarHBondContact O-N 2.93Å; A185-A189 WeakPolarHBondContact O-CB 3.43Å; A185-K190 PolarHBondContact O-N 3.41Å; A185-V191 HydrophobicContact CB-CG2 4.22Å; A185-V191 PolarHBondContact O-N 3.14Å; A185-V191 VanDerWaalsContact O-N 3.15Å; A185-L268 HydrophobicContact CB-CD2 4.13Å
186V98.6Very high98.2Very high40 Ų4030.4 Ų30.424%0.24218%0.18CC..Iπ-helixtrans-80.7-33.7-168.4-53.70000114Y182 G183 G212 A216Y182-V186 HydrophobicContact CD1-CG1 4.29Å; Y182-V186 HydrophobicContact CD1-CG2 3.85Å; Y182-V186 HydrophobicContact CE1-CB 4.46Å; Y182-V186 HydrophobicContact CE1-CG1 3.88Å; Y182-V186 HydrophobicContact CE1-CG2 3.73Å; Y182-V186 WeakPolarHBondContact O-CG2 3.06Å; Y182-V186 PolarHBondContact O-N 2.96Å; G183-V186 PolarHBondContact O-N 3.49Å; V186-G212 WeakPolarHBondContact CG1-O 3.27Å; V186-A216 HydrophobicContact CG1-CB 4.49Å
187N98.5Very high98.3Very high60 Ų6029.9 Ų29.932%0.32118%0.176SC..Iπ-helixtrans-100.3-44.8-175.2-56.6-45.6000112.6G183 K190 G321 F323G183-N187 WeakPolarHBondContact CA-ND2 3.43Å; G183-N187 WeakPolarHBondContact O-CA 3.38Å; G183-N187 VanDerWaalsContact O-CB 3.29Å; G183-N187 WeakPolarHBondContact O-CB 2.97Å; G183-N187 PolarHBondContact O-N 3.06Å; N187-K190 VanDerWaalsContact O-CG 3.23Å; N187-K190 WeakPolarHBondContact O-CG 3.48Å; N187-G321 WeakPolarHBondContact CB-O 3.39Å; N187-G321 PolarHBondContact ND2-O 3.17Å; N187-F323 WeakPolarHBondContact ND2-CD1 3.34Å; N187-F323 VanDerWaalsContact ND2-CE1 3.27Å; N187-F323 WeakPolarHBondContact ND2-CE1 3.46Å; N187-F323 WeakPolarHBondContact ND2-CE2 3.43Å; N187-F323 VanDerWaalsContact ND2-CZ 3.27Å; N187-F323 WeakPolarHBondContact ND2-CZ 3.42Å
188T98.7Very high98.6Very high22 Ų2229.8 Ų29.814%0.13518%0.175CC..Iπ-helixtrans-88.2-54.4-171.1-560000112.4G183 A184 K190 V292 K316 S318G183-T188 PolarHBondContact O-N 3.05Å; A184-T188 WeakPolarHBondContact O-CB 3.45Å; T188-K190 VanDerWaalsContact C-N 3.33Å; T188-V292 HydrophobicContact CG2-CG1 3.9Å; T188-V292 HydrophobicContact CG2-CG2 4.39Å; T188-K316 HydrophobicContact CG2-CD 3.83Å; T188-K316 HydrophobicContact CG2-CG 4.14Å; T188-S318 PolarHBondContact OG1-OG 2.87Å
189A98.7Very high98.7Very high5 Ų529.7 Ų29.74%0.04117%0.174CC..Iπ-helixtrans-67.6-39.4172.700000110.2A184 A185 V191 F266 V292A184-A189 VanDerWaalsContact O-CB 3.3Å; A184-A189 WeakPolarHBondContact O-CB 3.48Å; A184-A189 PolarHBondContact O-N 3.13Å; A185-A189 WeakPolarHBondContact O-CB 3.43Å; A189-V191 HydrophobicContact CB-CG2 4.01Å; A189-F266 HydrophobicContact CB-CD1 3.92Å; A189-F266 WeakPolarHBondContact O-CE1 3.46Å; A189-V292 HydrophobicContact CB-CG2 3.76Å
190K98.6Very high98.7Very high145 Ų14529.9 Ų29.963%0.6318%0.175SC*.  trans57.452.8-170.2-56.9-176.8177.3-176.10110.5A185 N187 T188 E192A185-K190 PolarHBondContact O-N 3.41Å; N187-K190 VanDerWaalsContact O-CG 3.23Å; N187-K190 WeakPolarHBondContact O-CG 3.48Å; T188-K190 VanDerWaalsContact C-N 3.33Å; K190-E192 PolarHBondContact O-N 3.4Å
191V98.9Very high98.7Very high14 Ų1430 Ų309%0.08518%0.178CC..PPolyproline II helixtrans-48136.3177.91720000110A185 A189 S195 A216 A218 F266A185-V191 HydrophobicContact CB-CG2 4.22Å; A185-V191 PolarHBondContact O-N 3.14Å; A185-V191 VanDerWaalsContact O-N 3.15Å; A189-V191 HydrophobicContact CB-CG2 4.01Å; V191-S195 WeakPolarHBondContact CG1-OG 3.34Å; V191-A216 HydrophobicContact CB-CB 3.69Å; V191-A216 HydrophobicContact CG1-CB 3.71Å; V191-A218 HydrophobicContact CG1-CB 3.96Å; V191-F266 HydrophobicContact CB-CD2 4.42Å; V191-F266 HydrophobicContact CG1-CD2 4.35Å; V191-F266 HydrophobicContact CG2-CB 4.19Å; V191-F266 HydrophobicContact CG2-CD1 4.36Å; V191-F266 HydrophobicContact CG2-CD2 4.16Å; V191-F266 HydrophobicContact CG2-CG 3.97Å
192E98.5Very high98.6Very high132 Ų13230 Ų3062%0.61718%0.178SC*.PPolyproline II helixtrans-102.4147.9-175.5-63.1175.1178.900110.6K190 G194 S195 F266K190-E192 PolarHBondContact O-N 3.4Å; E192-G194 PolarHBondContact O-N 3Å; E192-S195 WeakPolarHBondContact O-CB 3.49Å; E192-S195 PolarHBondContact O-N 2.9Å; E192-S195 VanDerWaalsContact O-N 3.14Å; E192-S195 PolarHBondContact O-OG 2.89Å; E192-F266 HydrophobicContact CB-CE2 4.34Å; E192-F266 HydrophobicContact CG-CE2 4.36Å; E192-F266 HydrophobicContact CG-CZ 4.05Å
193A98.8Very high98.4Very high85 Ų8530.1 Ų30.170%0.70219%0.19SC*.THydrogen-bonded Turntrans-60.2133.7174.700000110.4S195 A216 G217A193-S195 VanDerWaalsContact C-N 3.28Å; A193-S195 PolarHBondContact O-N 3.08Å; A193-A216 PolarHBondContact N-O 3.22Å; A193-G217 CarbonylContact C-O 3.58Å; A193-G217 WeakPolarHBondContact CA-O 3.35Å
194G98.6Very high98.2Very high51 Ų5132.6 Ų32.653%0.52621%0.211SC..THydrogen-bonded Turntrans85.6-10.8-177.500000114.9E192 G217 S219E192-G194 PolarHBondContact O-N 3Å; G194-G217 PolarHBondContact N-O 2.46Å; G194-S219 WeakPolarHBondContact O-CB 3.27Å; G194-S219 PolarHBondContact O-OG 2.83Å
195S98.7Very high98.2Very high8 Ų834.1 Ų34.16%0.05622%0.22CC..  trans-69.8164.1-179.570.50000113.9V191 E192 A193 A218 S219 R220V191-S195 WeakPolarHBondContact CG1-OG 3.34Å; E192-S195 WeakPolarHBondContact O-CB 3.49Å; E192-S195 PolarHBondContact O-N 2.9Å; E192-S195 VanDerWaalsContact O-N 3.14Å; E192-S195 PolarHBondContact O-OG 2.89Å; A193-S195 VanDerWaalsContact C-N 3.28Å; A193-S195 PolarHBondContact O-N 3.08Å; S195-A218 CarbonylContact O-C 3.58Å; S195-A218 WeakPolarHBondContact O-CA 3.46Å; S195-S219 PolarHBondContact O-N 2.92Å; S195-S219 PolarHBondContact O-OG 3.11Å; S195-R220 PolarHBondContact O-N 2.84Å
196S98.9Very high98.2Very high16 Ų1634.1 Ų34.111%0.11222%0.221CC..EExtended strand (participates in β ladder)trans-101.1137.1171.360.40000111.1R220 V264 D265 F266S196-R220 CarbonylContact C-O 3.55Å; S196-R220 WeakPolarHBondContact CA-O 2.82Å; S196-V264 WeakPolarHBondContact OG-CA 3.35Å; S196-D265 PolarHBondContact N-OD2 3.48Å; S196-D265 WeakPolarHBondContact O-CB 3.12Å; S196-D265 PolarHBondContact O-N 2.92Å; S196-D265 VanDerWaalsContact O-N 3.09Å; S196-D265 PolarHBondContact OG-N 2.81Å; S196-D265 VanDerWaalsContact OG-N 3.08Å; S196-D265 PolarHBondContact OG-OD2 2.86Å; S196-F266 PolarHBondContact O-N 3.3Å; S196-F266 VanDerWaalsContact O-N 3.07Å
197C98.9Very high98.1Very high0 Ų032.9 Ų32.90%021%0.212CC..EExtended strand (participates in β ladder)trans-125.8146.5179.1-57.50000112.1C213 R220 I221 I222 F266C197-C213 HydrophobicContact CB-CB 4.31Å; C197-R220 PolarHBondContact N-O 3.44Å; C197-I221 HydrophobicContact CB-CG1 4.48Å; C197-I221 WeakPolarHBondContact O-CA 3.47Å; C197-I222 PolarHBondContact O-N 3.29Å; C197-F266 CarbonylContact C-O 3.55Å; C197-F266 WeakPolarHBondContact CA-O 3.44Å
198A98.9Very high98.2Very high0 Ų030 Ų300%020%0.197CC..EExtended strand (participates in β ladder)trans-119131.716300000110.1F200 I222 I256 V264 F266 S267 L268A198-F200 HydrophobicContact CB-CD2 4.43Å; A198-F200 HydrophobicContact CB-CE2 3.73Å; A198-F200 HydrophobicContact CB-CZ 4.36Å; A198-I222 CarbonylContact C-O 3.6Å; A198-I222 WeakPolarHBondContact CA-O 3.35Å; A198-I222 HydrophobicContact CB-CB 4.5Å; A198-I256 HydrophobicContact CB-CD1 4.2Å; A198-V264 HydrophobicContact CB-CB 4.46Å; A198-V264 HydrophobicContact CB-CG1 4.01Å; A198-V264 HydrophobicContact CB-CG2 3.79Å; A198-F266 PolarHBondContact N-O 3.15Å; A198-S267 CarbonylContact O-C 3.54Å; A198-S267 VanDerWaalsContact O-CA 3.27Å; A198-S267 WeakPolarHBondContact O-CA 3.5Å; A198-L268 PolarHBondContact O-N 3.41Å
199V98.9Very high98.2Very high0 Ų029 Ų290%019%0.191CC..EExtended strand (participates in β ladder)trans-120115.9177.5-176.90000108.9A209 V210 I221 I222 V224 L268V199-A209 HydrophobicContact CG1-CB 4.04Å; V199-A209 HydrophobicContact CG2-CB 4.44Å; V199-V210 HydrophobicContact CB-CG2 3.99Å; V199-V210 HydrophobicContact CG1-CG2 4.18Å; V199-V210 HydrophobicContact CG2-CG2 3.93Å; V199-I221 HydrophobicContact CG2-CG2 4.45Å; V199-I222 PolarHBondContact N-O 3.03Å; V199-V224 PolarHBondContact O-N 3.38Å; V199-L268 WeakPolarHBondContact CA-O 3.45Å; V199-L268 HydrophobicContact CG2-CD1 4.19Å
200F98.9Very high98.2Very high5 Ų528.7 Ų28.72%0.02219%0.189CC..EExtended strand (participates in β ladder)trans-97.2121.6-177.6-63.3-103.4000110.7A198 V224 V252 I256 L268 C270 V276 A280 S283A198-F200 HydrophobicContact CB-CD2 4.43Å; A198-F200 HydrophobicContact CB-CE2 3.73Å; A198-F200 HydrophobicContact CB-CZ 4.36Å; F200-V224 HydrophobicContact CD1-CB 3.89Å; F200-V224 HydrophobicContact CD1-CG1 3.74Å; F200-V224 HydrophobicContact CD1-CG2 4.19Å; F200-V224 HydrophobicContact CE1-CB 4.27Å; F200-V224 HydrophobicContact CE1-CG1 3.98Å; F200-V224 HydrophobicContact CE1-CG2 4.15Å; F200-V224 HydrophobicContact CG-CB 4.24Å; F200-V224 HydrophobicContact CG-CG2 4.48Å; F200-V224 HydrophobicContact CZ-CG2 4.39Å; F200-V252 HydrophobicContact CE1-CG1 3.98Å; F200-V252 HydrophobicContact CE1-CG2 4.29Å; F200-I256 HydrophobicContact CE1-CD1 3.96Å; F200-I256 HydrophobicContact CE2-CD1 4.28Å; F200-I256 HydrophobicContact CZ-CD1 3.42Å; F200-I256 VanDerWaalsContact CZ-CD1 3.42Å; F200-L268 PolarHBondContact N-O 2.81Å; F200-C270 WeakPolarHBondContact O-CA 3.13Å; F200-C270 WeakPolarHBondContact O-CB 3.22Å; F200-C270 PolarHBondContact O-N 3.42Å; F200-V276 HydrophobicContact CB-CG1 3.64Å; F200-V276 HydrophobicContact CD1-CG1 3.92Å; F200-V276 HydrophobicContact CG-CG1 4.05Å; F200-A280 HydrophobicContact CD2-CB 3.72Å; F200-A280 HydrophobicContact CE2-CB 3.71Å; F200-A280 HydrophobicContact CG-CB 4.36Å; F200-A280 HydrophobicContact CZ-CB 4.31Å; F200-S283 WeakPolarHBondContact CZ-OG 3.4Å
201G97.9Very high98.2Very high10 Ų1022.5 Ų22.510%0.10316%0.162CC..  trans86.6123.5-173.900000111.7G206 V224G201-G206 VanDerWaalsContact O-CA 3.3Å; G201-G206 WeakPolarHBondContact O-CA 3.44Å; G201-V224 PolarHBondContact N-O 3.05Å
202L96.9Very high98.2Very high0 Ų021.8 Ų21.80%016%0.158CC..  trans-116.240-175.2-57.7174.1000112L207 V210 A223 D225 K230 A234 F242L202-L207 HydrophobicContact CB-CD2 4.19Å; L202-L207 HydrophobicContact CB-CG 4.42Å; L202-L207 HydrophobicContact CD2-CD2 4.38Å; L202-V210 HydrophobicContact CD2-CG2 4.26Å; L202-A223 HydrophobicContact CD1-CB 3.76Å; L202-A223 HydrophobicContact CD2-CB 3.78Å; L202-A223 HydrophobicContact CG-CB 4.37Å; L202-D225 HydrophobicContact CB-CB 4.18Å; L202-D225 WeakPolarHBondContact CB-OD2 3.43Å; L202-D225 HydrophobicContact CD1-CB 3.64Å; L202-D225 HydrophobicContact CG-CB 3.84Å; L202-D225 PolarHBondContact N-OD2 3.42Å; L202-K230 HydrophobicContact CB-CB 3.83Å; L202-K230 HydrophobicContact CB-CG 4.26Å; L202-K230 HydrophobicContact CD1-CB 3.93Å; L202-A234 HydrophobicContact CD1-CB 3.99Å; L202-A234 HydrophobicContact CD2-CB 4.33Å; L202-F242 HydrophobicContact CD1-CD2 3.93Å; L202-F242 HydrophobicContact CD1-CE2 3.6Å
203G94.3Very high98.2Very high39 Ų3915.5 Ų15.540%0.40213%0.128SC..SBendtrans-71.9-174.7158.400000111.8V205 G206 L207G203-V205 VanDerWaalsContact C-N 3.29Å; G203-V205 PolarHBondContact O-N 3.11Å; G203-G206 PolarHBondContact O-N 3.34Å; G203-G206 VanDerWaalsContact O-N 3.15Å; G203-L207 WeakPolarHBondContact O-CB 3.03Å; G203-L207 WeakPolarHBondContact O-CG 3.42Å; G203-L207 PolarHBondContact O-N 3.04Å
204A94.9Very high98.2Very high53 Ų5317 Ų1744%0.43812%0.119SC..Hα-helixtrans-54.5-42.1-177.300000113.3A208 F346A204-A208 WeakPolarHBondContact O-CB 3.39Å; A204-A208 PolarHBondContact O-N 3.19Å; A204-F346 HydrophobicContact CB-CD1 4.34Å; A204-F346 WeakPolarHBondContact O-CE1 3.27Å
205V97.8Very high98.2Very high31 Ų3117.4 Ų17.419%0.18812%0.117CC..Hα-helixtrans-64.2-48.2177.7178.30000111.5T180 G181 G203 A208 A209 C270 V294T180-V205 HydrophobicContact CG2-CG1 3.93Å; G181-V205 VanDerWaalsContact CA-O 3.27Å; G181-V205 WeakPolarHBondContact CA-O 3.5Å; G203-V205 VanDerWaalsContact C-N 3.29Å; G203-V205 PolarHBondContact O-N 3.11Å; V205-A208 WeakPolarHBondContact O-CB 3.49Å; V205-A208 PolarHBondContact O-N 3.06Å; V205-A209 PolarHBondContact O-N 3.03Å; V205-C270 HydrophobicContact CG1-CB 4.21Å; V205-V294 HydrophobicContact CG1-CG1 3.65Å
206G98.4Very high98.2Very high1 Ų118.3 Ų18.31%0.0113%0.125CC..Hα-helixtrans-66.4-41.6-179.900000113.2G201 G203 A208 A209 V210G201-G206 VanDerWaalsContact O-CA 3.3Å; G201-G206 WeakPolarHBondContact O-CA 3.44Å; G203-G206 PolarHBondContact O-N 3.34Å; G203-G206 VanDerWaalsContact O-N 3.15Å; G206-A208 VanDerWaalsContact C-N 3.27Å; G206-A208 PolarHBondContact O-N 3.41Å; G206-A209 CarbonylContact O-C 3.55Å; G206-A209 WeakPolarHBondContact O-CA 3.4Å; G206-A209 WeakPolarHBondContact O-CB 3.22Å; G206-A209 PolarHBondContact O-N 3.47Å; G206-V210 PolarHBondContact O-N 3.18Å
207L98.4Very high98.2Very high13 Ų1319.2 Ų19.27%0.06814%0.137CC..Hα-helixtrans-62-35.9173.4-70.8174.9000111.8L202 G203 V210 M211 K233 A234 L237 F346L202-L207 HydrophobicContact CB-CD2 4.19Å; L202-L207 HydrophobicContact CB-CG 4.42Å; L202-L207 HydrophobicContact CD2-CD2 4.38Å; G203-L207 WeakPolarHBondContact O-CB 3.03Å; G203-L207 WeakPolarHBondContact O-CG 3.42Å; G203-L207 PolarHBondContact O-N 3.04Å; L207-V210 PolarHBondContact O-N 2.86Å; L207-M211 PolarHBondContact O-N 3.17Å; L207-K233 HydrophobicContact CD1-CG 3.82Å; L207-K233 HydrophobicContact CD2-CG 4.29Å; L207-A234 HydrophobicContact CD2-CB 3.86Å; L207-L237 HydrophobicContact CB-CD1 3.72Å; L207-L237 HydrophobicContact CD1-CD1 4.43Å; L207-L237 HydrophobicContact CD2-CD1 4.13Å; L207-L237 HydrophobicContact CG-CD1 4.3Å; L207-F346 HydrophobicContact CB-CD1 4.4Å; L207-F346 HydrophobicContact CB-CE1 3.58Å; L207-F346 HydrophobicContact CB-CZ 4.21Å
208A98.6Very high98.2Very high0 Ų020 Ų200%014%0.143CC..Hα-helixtrans-69.4-34.2172.300000112.5I178 Y182 A204 V205 G206 M211 G212 F346I178-A208 HydrophobicContact CD1-CB 4.11Å; I178-A208 HydrophobicContact CG2-CB 4.43Å; Y182-A208 WeakPolarHBondContact CA-O 3.14Å; Y182-A208 PolarHBondContact N-O 3.01Å; A204-A208 WeakPolarHBondContact O-CB 3.39Å; A204-A208 PolarHBondContact O-N 3.19Å; V205-A208 WeakPolarHBondContact O-CB 3.49Å; V205-A208 PolarHBondContact O-N 3.06Å; G206-A208 VanDerWaalsContact C-N 3.27Å; G206-A208 PolarHBondContact O-N 3.41Å; A208-M211 PolarHBondContact O-N 2.82Å; A208-G212 PolarHBondContact O-N 2.8Å; A208-F346 HydrophobicContact CB-CE1 4.13Å; A208-F346 HydrophobicContact CB-CZ 4.22Å
209A98.9Very high98.1Very high0 Ų023.7 Ų23.70%017%0.169CC..Hα-helixtrans-64.7-42.3171.500000111.9G181 V199 V205 G206 M211 G212 C213 L268G181-A209 WeakPolarHBondContact O-CA 3.21Å; V199-A209 HydrophobicContact CG1-CB 4.04Å; V199-A209 HydrophobicContact CG2-CB 4.44Å; V205-A209 PolarHBondContact O-N 3.03Å; G206-A209 CarbonylContact O-C 3.55Å; G206-A209 WeakPolarHBondContact O-CA 3.4Å; G206-A209 WeakPolarHBondContact O-CB 3.22Å; G206-A209 PolarHBondContact O-N 3.47Å; A209-M211 VanDerWaalsContact C-N 3.34Å; A209-M211 PolarHBondContact O-N 2.98Å; A209-G212 CarbonylContact O-C 3.55Å; A209-G212 WeakPolarHBondContact O-CA 3.36Å; A209-G212 PolarHBondContact O-N 2.92Å; A209-G212 VanDerWaalsContact O-N 3.11Å; A209-C213 PolarHBondContact O-N 3.44Å; A209-C213 PolarHBondContact O-SG 3.43Å; A209-L268 HydrophobicContact CB-CD2 4.16Å
210V98.9Very high98.1Very high0 Ų027 Ų270%018%0.181CC..Hα-helixtrans-56.2-48.4171.6168.70000110.9V199 L202 G206 L207 G212 C213 K214 I221 L237 A239V199-V210 HydrophobicContact CB-CG2 3.99Å; V199-V210 HydrophobicContact CG1-CG2 4.18Å; V199-V210 HydrophobicContact CG2-CG2 3.93Å; L202-V210 HydrophobicContact CD2-CG2 4.26Å; G206-V210 PolarHBondContact O-N 3.18Å; L207-V210 PolarHBondContact O-N 2.86Å; V210-G212 VanDerWaalsContact C-N 3.29Å; V210-G212 PolarHBondContact O-N 3.22Å; V210-C213 PolarHBondContact O-N 2.63Å; V210-K214 PolarHBondContact O-N 3Å; V210-I221 HydrophobicContact CG1-CG2 4.19Å; V210-I221 HydrophobicContact CG2-CG2 4.2Å; V210-L237 HydrophobicContact CG1-CB 4.39Å; V210-A239 HydrophobicContact CG1-CB 4.17Å
211M98.6Very high98.1Very high14 Ų1426.9 Ų26.97%0.06918%0.181CC..Hα-helixtrans-59.8-39.5175.7-179.9174.659.400112I178 Y182 L207 A208 A209 K214 A215 V341 K342 F346I178-M211 HydrophobicContact CG2-CE 4.07Å; Y182-M211 HydrophobicContact CD2-CE 3.93Å; Y182-M211 HydrophobicContact CD2-CG 4.16Å; Y182-M211 HydrophobicContact CE2-CG 4.25Å; L207-M211 PolarHBondContact O-N 3.17Å; A208-M211 PolarHBondContact O-N 2.82Å; A209-M211 VanDerWaalsContact C-N 3.34Å; A209-M211 PolarHBondContact O-N 2.98Å; M211-K214 PolarHBondContact O-N 2.85Å; M211-A215 WeakPolarHBondContact O-CB 3.14Å; M211-A215 PolarHBondContact O-N 3.21Å; M211-V341 HydrophobicContact CE-CG1 3.84Å; M211-V341 HydrophobicContact SD-CG1 4.35Å; M211-K342 HydrophobicContact SD-CB 3.92Å; M211-F346 HydrophobicContact CE-CE2 4.13Å; M211-F346 HydrophobicContact CE-CZ 4.15Å; M211-F346 HydrophobicContact SD-CE2 4.47Å
212G98.8Very high98.2Very high0 Ų026.4 Ų26.40%018%0.176CC..Hα-helixtrans-65.4-44.7175.700000113.3Y182 V186 A208 A209 V210 K214 A215 A216Y182-G212 VanDerWaalsContact CD2-CA 3.49Å; V186-G212 WeakPolarHBondContact CG1-O 3.27Å; A208-G212 PolarHBondContact O-N 2.8Å; A209-G212 CarbonylContact O-C 3.55Å; A209-G212 WeakPolarHBondContact O-CA 3.36Å; A209-G212 PolarHBondContact O-N 2.92Å; A209-G212 VanDerWaalsContact O-N 3.11Å; V210-G212 VanDerWaalsContact C-N 3.29Å; V210-G212 PolarHBondContact O-N 3.22Å; G212-K214 VanDerWaalsContact C-N 3.32Å; G212-K214 PolarHBondContact O-N 2.71Å; G212-A215 PolarHBondContact O-N 2.93Å; G212-A216 WeakPolarHBondContact O-CB 3.23Å; G212-A216 PolarHBondContact O-N 3.29Å
213C98.9Very high98.3Very high0 Ų026.4 Ų26.40%018%0.176CC..Hα-helixtrans-60.1-42.9175.3-660000111.4C197 A209 V210 A216 G217 A218 I221C197-C213 HydrophobicContact CB-CB 4.31Å; A209-C213 PolarHBondContact O-N 3.44Å; A209-C213 PolarHBondContact O-SG 3.43Å; V210-C213 PolarHBondContact O-N 2.63Å; C213-A216 PolarHBondContact O-N 3.07Å; C213-G217 PolarHBondContact O-N 3.23Å; C213-A218 HydrophobicContact CB-CB 4.29Å; C213-A218 WeakPolarHBondContact O-CB 3.15Å; C213-A218 PolarHBondContact O-N 2.67Å; C213-A218 VanDerWaalsContact O-N 3.11Å; C213-I221 HydrophobicContact CB-CD1 3.72Å; C213-I221 HydrophobicContact CB-CG1 4.04Å; C213-I221 HydrophobicContact CB-CG2 4.48Å
214K98.8Very high98.5Very high117 Ų11724.7 Ų24.751%0.50916%0.158SC..Hα-helixtrans-63.9-44.2175.1176.2168.2174.1179.40111.9V210 M211 G212 A216 G217 I221 L237 G238V210-K214 PolarHBondContact O-N 3Å; M211-K214 PolarHBondContact O-N 2.85Å; G212-K214 VanDerWaalsContact C-N 3.32Å; G212-K214 PolarHBondContact O-N 2.71Å; K214-A216 PolarHBondContact O-N 2.75Å; K214-G217 PolarHBondContact O-N 3.15Å; K214-I221 HydrophobicContact CB-CD1 3.9Å; K214-L237 WeakPolarHBondContact CD-O 3.21Å; K214-G238 VanDerWaalsContact CD-CA 3.41Å
215A98.5Very high98.6Very high59 Ų5923.4 Ų23.449%0.48814%0.144SC..Hα-helixtrans-62.9-30.3177.600000112.7Y182 M211 G212 G217Y182-A215 HydrophobicContact CE2-CB 3.8Å; Y182-A215 WeakPolarHBondContact OH-CB 3.24Å; M211-A215 WeakPolarHBondContact O-CB 3.14Å; M211-A215 PolarHBondContact O-N 3.21Å; G212-A215 PolarHBondContact O-N 2.93Å; A215-G217 VanDerWaalsContact C-N 3.28Å
216A98.7Very high98.6Very high26 Ų2626.1 Ų26.122%0.21516%0.156CC..THydrogen-bonded Turntrans-78.1-8.2173.700000114.1V186 V191 A193 G212 C213 K214V186-A216 HydrophobicContact CG1-CB 4.49Å; V191-A216 HydrophobicContact CB-CB 3.69Å; V191-A216 HydrophobicContact CG1-CB 3.71Å; A193-A216 PolarHBondContact N-O 3.22Å; G212-A216 WeakPolarHBondContact O-CB 3.23Å; G212-A216 PolarHBondContact O-N 3.29Å; C213-A216 PolarHBondContact O-N 3.07Å; K214-A216 PolarHBondContact O-N 2.75Å
217G98.6Very high98.4Very high35 Ų3526.9 Ų26.936%0.36116%0.16SC..THydrogen-bonded Turntrans87.122.8176.700000115.1A193 G194 C213 K214 A215 S219A193-G217 CarbonylContact C-O 3.58Å; A193-G217 WeakPolarHBondContact CA-O 3.35Å; G194-G217 PolarHBondContact N-O 2.46Å; C213-G217 PolarHBondContact O-N 3.23Å; K214-G217 PolarHBondContact O-N 3.15Å; A215-G217 VanDerWaalsContact C-N 3.28Å; G217-S219 PolarHBondContact O-N 3.46Å
218A98.8Very high98.2Very high16 Ų1629.2 Ų29.213%0.13218%0.176CC..  trans-55.1136.8172.200000111V191 S195 C213 I221V191-A218 HydrophobicContact CG1-CB 3.96Å; S195-A218 CarbonylContact O-C 3.58Å; S195-A218 WeakPolarHBondContact O-CA 3.46Å; C213-A218 HydrophobicContact CB-CB 4.29Å; C213-A218 WeakPolarHBondContact O-CB 3.15Å; C213-A218 PolarHBondContact O-N 2.67Å; C213-A218 VanDerWaalsContact O-N 3.11Å; A218-I221 HydrophobicContact CB-CD1 4.15Å; A218-I221 HydrophobicContact CB-CG1 3.85Å
219S98.4Very high97.9Very high78 Ų7833.1 Ų33.155%0.54520%0.197SC..SBendtrans-81.4-30.4-178.962.90000112.5G194 S195 G217G194-S219 WeakPolarHBondContact O-CB 3.27Å; G194-S219 PolarHBondContact O-OG 2.83Å; S195-S219 PolarHBondContact O-N 2.92Å; S195-S219 PolarHBondContact O-OG 3.11Å; G217-S219 PolarHBondContact O-N 3.46Å
220R98.8Very high97.6Very high69 Ų6935.1 Ų35.126%0.2621%0.206SC..EExtended strand (participates in β ladder)trans-137.3131179.8-164.7178.7-172.5178.7-0.1110.1S195 S196 C197 I222 T240 D241 M259S195-R220 PolarHBondContact O-N 2.84Å; S196-R220 CarbonylContact C-O 3.55Å; S196-R220 WeakPolarHBondContact CA-O 2.82Å; C197-R220 PolarHBondContact N-O 3.44Å; R220-I222 HydrophobicContact CG-CG1 4.42Å; R220-T240 WeakPolarHBondContact CA-OG1 3.4Å; R220-T240 VanDerWaalsContact CG-OG1 3.3Å; R220-T240 WeakPolarHBondContact CG-OG1 3.44Å; R220-D241 WeakPolarHBondContact CG-OD2 3.33Å; R220-D241 IonicContact CZ-OD1 2.78Å; R220-D241 IonicContact CZ-OD2 3.81Å; R220-D241 IonicContact NE-OD1 3.99Å; R220-D241 PolarHBondContact NE-OD1 3.32Å; R220-D241 IonicContact NE-OD2 3.48Å; R220-D241 PolarHBondContact NE-OD2 2.89Å; R220-D241 IonicContact NH2-OD1 3.92Å; R220-D241 PolarHBondContact NH2-OD1 3.3Å; R220-D241 IonicContact NH2-OD2 3.35Å; R220-M259 PolarHBondContact NH1-O 3.01Å
221I98.9Very high97.5Very high3 Ų336 Ų362%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-132.2104.1-179.7-55.5169.5000107.8C197 V199 V210 C213 K214 A218 T240 D241C197-I221 HydrophobicContact CB-CG1 4.48Å; C197-I221 WeakPolarHBondContact O-CA 3.47Å; V199-I221 HydrophobicContact CG2-CG2 4.45Å; V210-I221 HydrophobicContact CG1-CG2 4.19Å; V210-I221 HydrophobicContact CG2-CG2 4.2Å; C213-I221 HydrophobicContact CB-CD1 3.72Å; C213-I221 HydrophobicContact CB-CG1 4.04Å; C213-I221 HydrophobicContact CB-CG2 4.48Å; K214-I221 HydrophobicContact CB-CD1 3.9Å; A218-I221 HydrophobicContact CB-CD1 4.15Å; A218-I221 HydrophobicContact CB-CG1 3.85Å; I221-T240 PolarHBondContact N-OG1 2.86Å; I221-T240 PolarHBondContact O-N 3.18Å; I221-T240 PolarHBondContact O-OG1 2.83Å; I221-D241 PolarHBondContact O-N 3.1Å
222I98.9Very high97.4Very high0 Ų041.9 Ų41.90%024%0.241CC..EExtended strand (participates in β ladder)trans-87.5108.7178.7-52.4173.8000108.2C197 A198 V199 R220 V224 D241 L243 I256 M259 T260 V264C197-I222 PolarHBondContact O-N 3.29Å; A198-I222 CarbonylContact C-O 3.6Å; A198-I222 WeakPolarHBondContact CA-O 3.35Å; A198-I222 HydrophobicContact CB-CB 4.5Å; V199-I222 PolarHBondContact N-O 3.03Å; R220-I222 HydrophobicContact CG-CG1 4.42Å; I222-V224 HydrophobicContact CG2-CG2 4.11Å; I222-D241 HydrophobicContact CB-CB 4.47Å; I222-D241 HydrophobicContact CG1-CB 4.18Å; I222-D241 HydrophobicContact CG2-CB 4.36Å; I222-L243 HydrophobicContact CG2-CB 4.03Å; I222-I256 HydrophobicContact CD1-CG2 4.27Å; I222-M259 HydrophobicContact CD1-CE 4.09Å; I222-M259 HydrophobicContact CG1-CE 4.4Å; I222-M259 HydrophobicContact CG2-CE 4.3Å; I222-T260 HydrophobicContact CD1-CG2 3.78Å; I222-V264 HydrophobicContact CD1-CG1 4.16Å
223A98.8Very high97.2Very high0 Ų045 Ų450%025%0.254CS..EExtended strand (participates in β ladder)trans-85.6122.517500000109.7L202 A234 A239 D241 F242 L243L202-A223 HydrophobicContact CD1-CB 3.76Å; L202-A223 HydrophobicContact CD2-CB 3.78Å; L202-A223 HydrophobicContact CG-CB 4.37Å; A223-A234 HydrophobicContact CB-CB 3.88Å; A223-A239 HydrophobicContact CB-CB 3.66Å; A223-D241 PolarHBondContact N-O 3.12Å; A223-F242 HydrophobicContact CB-CD2 4.27Å; A223-F242 CarbonylContact O-C 3.05Å; A223-F242 WeakPolarHBondContact O-CA 2.95Å; A223-F242 WeakPolarHBondContact O-CD2 3.29Å; A223-L243 PolarHBondContact O-N 3.45Å
224V98.9Very high97.2Very high4 Ų445 Ų452%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-116.3115.5-173.3-171.60000109.8V199 F200 G201 I222 L243 P245 V252 I256V199-V224 PolarHBondContact O-N 3.38Å; F200-V224 HydrophobicContact CD1-CB 3.89Å; F200-V224 HydrophobicContact CD1-CG1 3.74Å; F200-V224 HydrophobicContact CD1-CG2 4.19Å; F200-V224 HydrophobicContact CE1-CB 4.27Å; F200-V224 HydrophobicContact CE1-CG1 3.98Å; F200-V224 HydrophobicContact CE1-CG2 4.15Å; F200-V224 HydrophobicContact CG-CB 4.24Å; F200-V224 HydrophobicContact CG-CG2 4.48Å; F200-V224 HydrophobicContact CZ-CG2 4.39Å; G201-V224 PolarHBondContact N-O 3.05Å; I222-V224 HydrophobicContact CG2-CG2 4.11Å; V224-L243 WeakPolarHBondContact CA-O 3.46Å; V224-L243 HydrophobicContact CG2-CB 4.36Å; V224-L243 HydrophobicContact CG2-CD2 4.36Å; V224-P245 HydrophobicContact CG1-CG 3.84Å; V224-V252 HydrophobicContact CG1-CG2 3.88Å; V224-I256 HydrophobicContact CG2-CD1 4.1Å
225D98Very high97.1Very high25 Ų2545.9 Ų45.913%0.13426%0.258CS..  trans-152.5150.7176.6-154.7-66000111.3L202 N227 F242 L243 N244L202-D225 HydrophobicContact CB-CB 4.18Å; L202-D225 WeakPolarHBondContact CB-OD2 3.43Å; L202-D225 HydrophobicContact CD1-CB 3.64Å; L202-D225 HydrophobicContact CG-CB 3.84Å; L202-D225 PolarHBondContact N-OD2 3.42Å; D225-N227 VanDerWaalsContact C-N 3.27Å; D225-N227 WeakPolarHBondContact OD1-CB 3.38Å; D225-N227 PolarHBondContact OD1-N 2.88Å; D225-F242 HydrophobicContact CB-CE2 3.96Å; D225-F242 HydrophobicContact CB-CZ 4.24Å; D225-L243 PolarHBondContact N-O 3.31Å; D225-N244 VanDerWaalsContact O-CA 3.29Å; D225-N244 WeakPolarHBondContact O-CA 3.46Å
226I96.5Very high97.1Very high88 Ų8847.2 Ų47.245%0.45125%0.254SS..SBendtrans-77.7-15.2175.460.7170000113N244 P245 K246I226-N244 WeakPolarHBondContact CA-OD1 3.49Å; I226-N244 PolarHBondContact O-ND2 2.99Å; I226-P245 HydrophobicContact CG2-CG 4.46Å; I226-K246 HydrophobicContact CB-CD 4.29Å; I226-K246 HydrophobicContact CG2-CG 4.41Å
227N94.3Very high97Very high17 Ų1746.2 Ų46.29%0.09125%0.245CC..  trans-101.1106.7180-175.6-7.2000110.2D225 D229 K230 A369D225-N227 VanDerWaalsContact C-N 3.27Å; D225-N227 WeakPolarHBondContact OD1-CB 3.38Å; D225-N227 PolarHBondContact OD1-N 2.88Å; N227-D229 PolarHBondContact O-N 3.23Å; N227-D229 WeakPolarHBondContact OD1-CB 3.48Å; N227-D229 PolarHBondContact OD1-N 2.9Å; N227-D229 VanDerWaalsContact OD1-N 3.15Å; N227-D229 PolarHBondContact OD1-OD2 2.92Å; N227-K230 HydrophobicContact CB-CG 4.16Å; N227-K230 PolarHBondContact O-N 3.35Å; N227-A369 PolarHBondContact ND2-O 3.37Å
228P94.7Very high97Very high63 Ų6345 Ų4541%0.40923%0.232SC..G310 helixtrans-64.5-22.6-176.627.5-34.9000113.5K230 A231 F242P228-K230 PolarHBondContact O-N 3.01Å; P228-K230 VanDerWaalsContact O-N 3.13Å; P228-A231 WeakPolarHBondContact O-CB 3.06Å; P228-A231 PolarHBondContact O-N 3.47Å; P228-F242 HydrophobicContact CB-CE1 4.32Å
229D93.1Very high97Very high81 Ų8144.7 Ų44.743%0.43323%0.23SC..G310 helixtrans-68.5-13.6-179.2-57.8-80000113.4N227 A231 S371N227-D229 PolarHBondContact O-N 3.23Å; N227-D229 WeakPolarHBondContact OD1-CB 3.48Å; N227-D229 PolarHBondContact OD1-N 2.9Å; N227-D229 VanDerWaalsContact OD1-N 3.15Å; N227-D229 PolarHBondContact OD1-OD2 2.92Å; D229-A231 VanDerWaalsContact C-N 3.3Å; D229-S371 WeakPolarHBondContact OD1-CB 3.47Å; D229-S371 WeakPolarHBondContact OD2-CA 3.41Å; D229-S371 VanDerWaalsContact OD2-CB 3.27Å; D229-S371 WeakPolarHBondContact OD2-CB 3.47Å; D229-S371 PolarHBondContact OD2-N 3.28Å
230K92.8Very high97Very high42 Ų4244.7 Ų44.718%0.18323%0.227CC..G310 helixtrans-77.7-14.5174-59.6-65.9-175.5178.60112.9L202 N227 P228 E232 K233 A234L202-K230 HydrophobicContact CB-CB 3.83Å; L202-K230 HydrophobicContact CB-CG 4.26Å; L202-K230 HydrophobicContact CD1-CB 3.93Å; N227-K230 HydrophobicContact CB-CG 4.16Å; N227-K230 PolarHBondContact O-N 3.35Å; P228-K230 PolarHBondContact O-N 3.01Å; P228-K230 VanDerWaalsContact O-N 3.13Å; K230-E232 PolarHBondContact O-N 2.79Å; K230-K233 PolarHBondContact O-N 3.14Å; K230-A234 WeakPolarHBondContact O-CB 2.82Å; K230-A234 PolarHBondContact O-N 3.4Å
231A95.8Very high97Very high20 Ų2043.5 Ų43.517%0.16523%0.226CC..Hα-helixtrans-61.1-47.6-173.300000113.2P228 D229 K233 A234 K235 F242P228-A231 WeakPolarHBondContact O-CB 3.06Å; P228-A231 PolarHBondContact O-N 3.47Å; D229-A231 VanDerWaalsContact C-N 3.3Å; A231-K233 PolarHBondContact O-N 3.05Å; A231-A234 PolarHBondContact O-N 3.2Å; A231-K235 WeakPolarHBondContact O-CB 3.39Å; A231-K235 PolarHBondContact O-N 2.63Å; A231-F242 HydrophobicContact CB-CB 3.97Å; A231-F242 HydrophobicContact CB-CD1 3.81Å; A231-F242 HydrophobicContact CB-CD2 3.65Å; A231-F242 HydrophobicContact CB-CE1 4.2Å; A231-F242 HydrophobicContact CB-CE2 4.06Å; A231-F242 HydrophobicContact CB-CG 3.51Å; A231-F242 HydrophobicContact CB-CZ 4.33Å
232E96.3Very high97Very high137 Ų13746.4 Ų46.464%0.6424%0.238SC*.Hα-helixtrans-64.4-42.1-177.4-73.2-57.3127.100111.9K230 K235 E236K230-E232 PolarHBondContact O-N 2.79Å; E232-K235 PolarHBondContact O-N 3.46Å; E232-E236 PolarHBondContact O-N 2.83Å
233K95.1Very high96.9Very high66 Ų6646.7 Ų46.729%0.28724%0.24SC..Hα-helixtrans-65.8-41176.1-176.86064-176.90111.6L207 K230 A231 K235 E236 L237 E345L207-K233 HydrophobicContact CD1-CG 3.82Å; L207-K233 HydrophobicContact CD2-CG 4.29Å; K230-K233 PolarHBondContact O-N 3.14Å; A231-K233 PolarHBondContact O-N 3.05Å; K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 3.26Å; K233-E236 WeakPolarHBondContact CE-OE2 3.36Å; K233-E236 IonicContact NZ-OE2 2.87Å; K233-E236 PolarHBondContact NZ-OE2 2.9Å; K233-E236 WeakPolarHBondContact O-CB 3.42Å; K233-E236 PolarHBondContact O-N 3.07Å; K233-L237 HydrophobicContact CD-CD1 4.29Å; K233-L237 HydrophobicContact CG-CD1 4.34Å; K233-L237 PolarHBondContact O-N 3.38Å; K233-L237 VanDerWaalsContact O-N 3.15Å; K233-E345 HydrophobicContact CD-CB 4.39Å
234A97.8Very high96.9Very high0 Ų047.2 Ų47.20%024%0.243CC..Hα-helixtrans-62-42175.800000111.6L202 L207 A223 K230 A231 L237 G238 A239L202-A234 HydrophobicContact CD1-CB 3.99Å; L202-A234 HydrophobicContact CD2-CB 4.33Å; L207-A234 HydrophobicContact CD2-CB 3.86Å; A223-A234 HydrophobicContact CB-CB 3.88Å; K230-A234 WeakPolarHBondContact O-CB 2.82Å; K230-A234 PolarHBondContact O-N 3.4Å; A231-A234 PolarHBondContact O-N 3.2Å; A234-L237 PolarHBondContact O-N 3.47Å; A234-G238 PolarHBondContact O-N 3.14Å; A234-A239 HydrophobicContact CB-CB 3.88Å; A234-A239 WeakPolarHBondContact O-CB 3.39Å; A234-A239 PolarHBondContact O-N 2.9Å
235K98.3Very high96.8Very high134 Ų13449 Ų4958%0.58326%0.255SS*.Hα-helixtrans-62.9-43.9175.9-176.5179.9178.7-175.80112.4A231 E232 K233 L237 G238A231-K235 WeakPolarHBondContact O-CB 3.39Å; A231-K235 PolarHBondContact O-N 2.63Å; E232-K235 PolarHBondContact O-N 3.46Å; K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 3.26Å; K235-L237 PolarHBondContact O-N 2.92Å; K235-G238 PolarHBondContact O-N 2.87Å
236E96.9Very high96.8Very high87 Ų8754.9 Ų54.941%0.40728%0.279SS..Hα-helixtrans-54.9-40.4174.2-174.7-174.9-177.400111.7E232 K233E232-E236 PolarHBondContact O-N 2.83Å; K233-E236 WeakPolarHBondContact CE-OE2 3.36Å; K233-E236 IonicContact NZ-OE2 2.87Å; K233-E236 PolarHBondContact NZ-OE2 2.9Å; K233-E236 WeakPolarHBondContact O-CB 3.42Å; K233-E236 PolarHBondContact O-N 3.07Å
237L97.4Very high96.8Very high5 Ų556.4 Ų56.43%0.02629%0.288CS..Hα-helixtrans-84.7-17.4-178-68.6173.8000114.2L207 V210 K214 K233 A234 K235 K342 E345 F346L207-L237 HydrophobicContact CB-CD1 3.72Å; L207-L237 HydrophobicContact CD1-CD1 4.43Å; L207-L237 HydrophobicContact CD2-CD1 4.13Å; L207-L237 HydrophobicContact CG-CD1 4.3Å; V210-L237 HydrophobicContact CG1-CB 4.39Å; K214-L237 WeakPolarHBondContact CD-O 3.21Å; K233-L237 HydrophobicContact CD-CD1 4.29Å; K233-L237 HydrophobicContact CG-CD1 4.34Å; K233-L237 PolarHBondContact O-N 3.38Å; K233-L237 VanDerWaalsContact O-N 3.15Å; A234-L237 PolarHBondContact O-N 3.47Å; K235-L237 PolarHBondContact O-N 2.92Å; L237-K342 HydrophobicContact CD2-CB 4.39Å; L237-K342 HydrophobicContact CD2-CD 4.06Å; L237-E345 HydrophobicContact CD2-CB 4.27Å; L237-F346 HydrophobicContact CD1-CE1 4.16Å; L237-F346 HydrophobicContact CD1-CE2 4.09Å; L237-F346 HydrophobicContact CD1-CZ 3.67Å; L237-F346 HydrophobicContact CD2-CE2 4.1Å; L237-F346 HydrophobicContact CD2-CZ 4.35Å
238G98.2Very high96.9Very high9 Ų959.4 Ų59.49%0.09330%0.301CS..THydrogen-bonded Turntrans143.9-3.4169.300000117.7K214 A234 K235 T240K214-G238 VanDerWaalsContact CD-CA 3.41Å; A234-G238 PolarHBondContact O-N 3.14Å; K235-G238 PolarHBondContact O-N 2.87Å; G238-T240 PolarHBondContact O-N 3.3Å
239A98.8Very high97Very high10 Ų1062.6 Ų62.68%0.08333%0.325CS..  trans-60.5137.1177.300000111V210 A223 A234V210-A239 HydrophobicContact CG1-CB 4.17Å; A223-A239 HydrophobicContact CB-CB 3.66Å; A234-A239 HydrophobicContact CB-CB 3.88Å; A234-A239 WeakPolarHBondContact O-CB 3.39Å; A234-A239 PolarHBondContact O-N 2.9Å
240T98.8Very high97.1Very high79 Ų7963.8 Ų63.849%0.48533%0.328SS..SBendtrans-95.7-30.6175.756.80000111.6R220 I221 G238R220-T240 WeakPolarHBondContact CA-OG1 3.4Å; R220-T240 VanDerWaalsContact CG-OG1 3.3Å; R220-T240 WeakPolarHBondContact CG-OG1 3.44Å; I221-T240 PolarHBondContact N-OG1 2.86Å; I221-T240 PolarHBondContact O-N 3.18Å; I221-T240 PolarHBondContact O-OG1 2.83Å; G238-T240 PolarHBondContact O-N 3.3Å
241D98.6Very high97.4Very high43 Ų4364.7 Ų64.723%0.2334%0.338CS..EExtended strand (participates in β ladder)trans-132.4151.6-178.9-52.3-112.5000108.9R220 I221 I222 A223 M259R220-D241 WeakPolarHBondContact CG-OD2 3.33Å; R220-D241 IonicContact CZ-OD1 2.78Å; R220-D241 IonicContact CZ-OD2 3.81Å; R220-D241 IonicContact NE-OD1 3.99Å; R220-D241 PolarHBondContact NE-OD1 3.32Å; R220-D241 IonicContact NE-OD2 3.48Å; R220-D241 PolarHBondContact NE-OD2 2.89Å; R220-D241 IonicContact NH2-OD1 3.92Å; R220-D241 PolarHBondContact NH2-OD1 3.3Å; R220-D241 IonicContact NH2-OD2 3.35Å; I221-D241 PolarHBondContact O-N 3.1Å; I222-D241 HydrophobicContact CB-CB 4.47Å; I222-D241 HydrophobicContact CG1-CB 4.18Å; I222-D241 HydrophobicContact CG2-CB 4.36Å; A223-D241 PolarHBondContact N-O 3.12Å; D241-M259 HydrophobicContact CB-CE 4.15Å
242F98.7Very high97.5Very high64 Ų6464.7 Ų64.728%0.28134%0.336SS..EExtended strand (participates in β ladder)trans-122.9137168.9178.6-98.2000109.1L202 A223 D225 P228 A231 N244L202-F242 HydrophobicContact CD1-CD2 3.93Å; L202-F242 HydrophobicContact CD1-CE2 3.6Å; A223-F242 HydrophobicContact CB-CD2 4.27Å; A223-F242 CarbonylContact O-C 3.05Å; A223-F242 WeakPolarHBondContact O-CA 2.95Å; A223-F242 WeakPolarHBondContact O-CD2 3.29Å; D225-F242 HydrophobicContact CB-CE2 3.96Å; D225-F242 HydrophobicContact CB-CZ 4.24Å; P228-F242 HydrophobicContact CB-CE1 4.32Å; A231-F242 HydrophobicContact CB-CB 3.97Å; A231-F242 HydrophobicContact CB-CD1 3.81Å; A231-F242 HydrophobicContact CB-CD2 3.65Å; A231-F242 HydrophobicContact CB-CE1 4.2Å; A231-F242 HydrophobicContact CB-CE2 4.06Å; A231-F242 HydrophobicContact CB-CG 3.51Å; A231-F242 HydrophobicContact CB-CZ 4.33Å; F242-N244 HydrophobicContact CE1-CB 3.99Å; F242-N244 HydrophobicContact CZ-CB 4.48Å
243L98.5Very high97.5Very high6 Ų659.9 Ų59.93%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-131.5115.5-178.4177.164.4000109.6I222 A223 V224 D225 P245 H248 V252 V255 I256 M259I222-L243 HydrophobicContact CG2-CB 4.03Å; A223-L243 PolarHBondContact O-N 3.45Å; V224-L243 WeakPolarHBondContact CA-O 3.46Å; V224-L243 HydrophobicContact CG2-CB 4.36Å; V224-L243 HydrophobicContact CG2-CD2 4.36Å; D225-L243 PolarHBondContact N-O 3.31Å; L243-P245 WeakPolarHBondContact O-CD 3.19Å; L243-H248 WeakPolarHBondContact CD1-NE2 3.36Å; L243-V252 HydrophobicContact CD2-CG2 3.59Å; L243-V252 HydrophobicContact CG-CG2 4.29Å; L243-V255 HydrophobicContact CD1-CG1 3.8Å; L243-V255 HydrophobicContact CD2-CG1 4.25Å; L243-I256 HydrophobicContact CD2-CD1 4.09Å; L243-I256 HydrophobicContact CD2-CG1 3.55Å; L243-M259 HydrophobicContact CD2-SD 4.4Å
244N98.1Very high97.7Very high12 Ų1261.1 Ų61.16%0.06432%0.32CS..  trans-95.1114.9169.5-175.7-12.9000109.9D225 I226 F242 K246 D247 H248D225-N244 VanDerWaalsContact O-CA 3.29Å; D225-N244 WeakPolarHBondContact O-CA 3.46Å; I226-N244 WeakPolarHBondContact CA-OD1 3.49Å; I226-N244 PolarHBondContact O-ND2 2.99Å; F242-N244 HydrophobicContact CE1-CB 3.99Å; F242-N244 HydrophobicContact CZ-CB 4.48Å; N244-K246 PolarHBondContact O-N 2.91Å; N244-K246 WeakPolarHBondContact OD1-CB 3.27Å; N244-K246 PolarHBondContact OD1-N 3.28Å; N244-D247 WeakPolarHBondContact CB-OD2 3.46Å; N244-D247 PolarHBondContact O-N 3.31Å; N244-H248 PolarHBondContact O-CD2 3.17Å
245P97.3Very high97.7Very high42 Ų4261.9 Ų61.927%0.27333%0.325SS..G310 helixtrans-56-25.7179.2-25.434.5000114.2V224 I226 L243 D247 H248 V252V224-P245 HydrophobicContact CG1-CG 3.84Å; I226-P245 HydrophobicContact CG2-CG 4.46Å; L243-P245 WeakPolarHBondContact O-CD 3.19Å; P245-D247 VanDerWaalsContact C-N 3.26Å; P245-D247 PolarHBondContact O-N 3.45Å; P245-H248 PolarHBondContact O-N 2.9Å; P245-V252 HydrophobicContact CB-CB 4.28Å; P245-V252 HydrophobicContact CB-CG2 4.32Å; P245-V252 HydrophobicContact CG-CB 4.36Å; P245-V252 HydrophobicContact CG-CG2 3.98Å
246K96.4Very high97.7Very high147 Ų14755.5 Ų55.564%0.63930%0.297SS*.G310 helixtrans-72.6-17.1-179.5-65.1179.7174.5173.30113.8I226 N244 H248I226-K246 HydrophobicContact CB-CD 4.29Å; I226-K246 HydrophobicContact CG2-CG 4.41Å; N244-K246 PolarHBondContact O-N 2.91Å; N244-K246 WeakPolarHBondContact OD1-CB 3.27Å; N244-K246 PolarHBondContact OD1-N 3.28Å; K246-H248 PolarHBondContact O-N 3.07Å
247D97.4Very high97.8Very high121 Ų12152.8 Ų52.865%0.64729%0.288SS*.G310 helixtrans-85.71.6-179.8-62.2-20.4000112.2N244 P245N244-D247 WeakPolarHBondContact CB-OD2 3.46Å; N244-D247 PolarHBondContact O-N 3.31Å; P245-D247 VanDerWaalsContact C-N 3.26Å; P245-D247 PolarHBondContact O-N 3.45Å
248H96.6Very high97.8Very high80 Ų8055.7 Ų55.737%0.3732%0.319SS..  trans-128.1141.1-176.2-61-89000111.5L243 N244 P245 K246 V255L243-H248 WeakPolarHBondContact CD1-NE2 3.36Å; N244-H248 PolarHBondContact O-CD2 3.17Å; P245-H248 PolarHBondContact O-N 2.9Å; K246-H248 PolarHBondContact O-N 3.07Å; H248-V255 HydrophobicContact CB-CG2 3.89Å
249S95.7Very high97.8Very high130 Ų13057.9 Ų57.991%0.90933%0.328SS*.SBendtrans-81.3-23171.754.70000113
250Q97Very high97.8Very high105 Ų10558.8 Ų58.849%0.49133%0.332SS..SBendtrans-82.9152.8178.4-61.8-178.3-8200111.1V252 E254 V255Q250-V252 PolarHBondContact O-N 3Å; Q250-E254 PolarHBondContact NE2-OE2 2.95Å; Q250-V255 HydrophobicContact CB-CG2 4.08Å
251P97.3Very high97.6Very high62 Ų6258.5 Ų58.540%0.40334%0.344SS..  trans-54138.4169.4-2433.9000111.7H253 E254 V255P251-H253 VanDerWaalsContact CB-CE1 3.4Å; P251-H253 WeakPolarHBondContact CB-CE1 3.37Å; P251-H253 PolarHBondContact O-N 3.32Å; P251-H253 VanDerWaalsContact O-N 3.09Å; P251-E254 HydrophobicContact CB-CG 4.36Å; P251-E254 HydrophobicContact CG-CG 4.47Å; P251-E254 WeakPolarHBondContact O-CB 3.49Å; P251-E254 PolarHBondContact O-N 3.48Å; P251-V255 PolarHBondContact O-N 2.89Å
252V97.9Very high97.5Very high20 Ų2058.1 Ų58.112%0.12135%0.351CS..Hα-helixtrans-55.4-34.3-174.868.50000113.4F200 V224 L243 P245 Q250 E254 V255 I256F200-V252 HydrophobicContact CE1-CG1 3.98Å; F200-V252 HydrophobicContact CE1-CG2 4.29Å; V224-V252 HydrophobicContact CG1-CG2 3.88Å; L243-V252 HydrophobicContact CD2-CG2 3.59Å; L243-V252 HydrophobicContact CG-CG2 4.29Å; P245-V252 HydrophobicContact CB-CB 4.28Å; P245-V252 HydrophobicContact CB-CG2 4.32Å; P245-V252 HydrophobicContact CG-CB 4.36Å; P245-V252 HydrophobicContact CG-CG2 3.98Å; Q250-V252 PolarHBondContact O-N 3Å; V252-E254 VanDerWaalsContact C-N 3.34Å; V252-E254 PolarHBondContact O-N 3.36Å; V252-V255 PolarHBondContact O-N 3.33Å; V252-I256 HydrophobicContact CG2-CD1 4.16Å; V252-I256 WeakPolarHBondContact O-CG1 3.33Å; V252-I256 PolarHBondContact O-N 3.47Å
253H97.7Very high97.5Very high36 Ų3655.1 Ų55.117%0.16734%0.338CS..Hα-helixtrans-67.3-31.9178.264.7-100.8000113P251 S257 E282P251-H253 VanDerWaalsContact CB-CE1 3.4Å; P251-H253 WeakPolarHBondContact CB-CE1 3.37Å; P251-H253 PolarHBondContact O-N 3.32Å; P251-H253 VanDerWaalsContact O-N 3.09Å; H253-S257 WeakPolarHBondContact O-CB 3.3Å; H253-S257 PolarHBondContact O-N 3.45Å; H253-S257 PolarHBondContact O-OG 2.7Å; H253-E282 HydrophobicContact CB-CB 3.97Å; H253-E282 IonicContact CE1-OE2 3.39Å; H253-E282 PolarHBondContact CE1-OE2 3.4Å; H253-E282 IonicContact CG-OE2 3.86Å; H253-E282 IonicContact ND1-OE2 3.57Å; H253-E282 PolarHBondContact ND1-OE2 2.77Å; H253-E282 IonicContact NE2-OE2 3.18Å
254E98.1Very high97.5Very high91 Ų9154.8 Ų54.843%0.42534%0.336SS..Hα-helixtrans-70.8-39.9173.6-63.8-173.5-17700110.8Q250 P251 V252 S257 G258Q250-E254 PolarHBondContact NE2-OE2 2.95Å; P251-E254 HydrophobicContact CB-CG 4.36Å; P251-E254 HydrophobicContact CG-CG 4.47Å; P251-E254 WeakPolarHBondContact O-CB 3.49Å; P251-E254 PolarHBondContact O-N 3.48Å; V252-E254 VanDerWaalsContact C-N 3.34Å; V252-E254 PolarHBondContact O-N 3.36Å; E254-S257 WeakPolarHBondContact O-CB 3.48Å; E254-S257 PolarHBondContact O-N 3.01Å; E254-G258 PolarHBondContact O-N 3.21Å
255V98.6Very high97.6Very high16 Ų1655.9 Ų55.910%0.09734%0.342CS..Hα-helixtrans-60.8-49.1176-177.30000110.3L243 H248 Q250 P251 V252 S257 G258 M259L243-V255 HydrophobicContact CD1-CG1 3.8Å; L243-V255 HydrophobicContact CD2-CG1 4.25Å; H248-V255 HydrophobicContact CB-CG2 3.89Å; Q250-V255 HydrophobicContact CB-CG2 4.08Å; P251-V255 PolarHBondContact O-N 2.89Å; V252-V255 PolarHBondContact O-N 3.33Å; V255-S257 VanDerWaalsContact C-N 3.3Å; V255-S257 PolarHBondContact O-N 2.86Å; V255-G258 PolarHBondContact O-N 2.91Å; V255-M259 HydrophobicContact CG1-SD 4.16Å; V255-M259 VanDerWaalsContact O-CG 3.31Å; V255-M259 WeakPolarHBondContact O-CG 3.15Å; V255-M259 PolarHBondContact O-N 2.84Å
256I98.6Very high97.7Very high0 Ų054.4 Ų54.40%033%0.332CS..Hα-helixtrans-59.6-42.6175.7-68.6167.1000110.8A198 F200 I222 V224 L243 V252 G258 M259 T260 V264A198-I256 HydrophobicContact CB-CD1 4.2Å; F200-I256 HydrophobicContact CE1-CD1 3.96Å; F200-I256 HydrophobicContact CE2-CD1 4.28Å; F200-I256 HydrophobicContact CZ-CD1 3.42Å; F200-I256 VanDerWaalsContact CZ-CD1 3.42Å; I222-I256 HydrophobicContact CD1-CG2 4.27Å; V224-I256 HydrophobicContact CG2-CD1 4.1Å; L243-I256 HydrophobicContact CD2-CD1 4.09Å; L243-I256 HydrophobicContact CD2-CG1 3.55Å; V252-I256 HydrophobicContact CG2-CD1 4.16Å; V252-I256 WeakPolarHBondContact O-CG1 3.33Å; V252-I256 PolarHBondContact O-N 3.47Å; I256-G258 VanDerWaalsContact C-N 3.33Å; I256-G258 PolarHBondContact O-N 3.26Å; I256-M259 PolarHBondContact O-N 2.81Å; I256-T260 HydrophobicContact CG2-CG2 4.41Å; I256-T260 WeakPolarHBondContact O-CB 3.37Å; I256-T260 WeakPolarHBondContact O-CG2 3.38Å; I256-T260 PolarHBondContact O-N 3.48Å; I256-T260 PolarHBondContact O-OG1 3.22Å; I256-V264 HydrophobicContact CG2-CG1 3.83Å
257S98Very high97.8Very high30 Ų3047.4 Ų47.421%0.2130%0.301CS..Hα-helixtrans-60.8-42.2177.5-60.50000111.8H253 E254 V255 T260 G261 G262H253-S257 WeakPolarHBondContact O-CB 3.3Å; H253-S257 PolarHBondContact O-N 3.45Å; H253-S257 PolarHBondContact O-OG 2.7Å; E254-S257 WeakPolarHBondContact O-CB 3.48Å; E254-S257 PolarHBondContact O-N 3.01Å; V255-S257 VanDerWaalsContact C-N 3.3Å; V255-S257 PolarHBondContact O-N 2.86Å; S257-T260 PolarHBondContact O-N 3.15Å; S257-T260 PolarHBondContact O-OG1 2.99Å; S257-G261 PolarHBondContact O-N 2.91Å; S257-G262 PolarHBondContact O-N 3.46Å
258G98Very high97.8Very high66 Ų6641.7 Ų41.768%0.6827%0.27SS*.Hα-helixtrans-64.1-39.1174.300000113.2E254 V255 I256 T260E254-G258 PolarHBondContact O-N 3.21Å; V255-G258 PolarHBondContact O-N 2.91Å; I256-G258 VanDerWaalsContact C-N 3.33Å; I256-G258 PolarHBondContact O-N 3.26Å; G258-T260 VanDerWaalsContact C-N 3.28Å; G258-T260 PolarHBondContact O-N 3.23Å
259M97.8Very high98Very high56 Ų5637.9 Ų37.928%0.27625%0.253SS..Hα-helixtrans-65.9-29.7177.3-70171.671.700113.1R220 I222 D241 L243 V255 I256R220-M259 PolarHBondContact NH1-O 3.01Å; I222-M259 HydrophobicContact CD1-CE 4.09Å; I222-M259 HydrophobicContact CG1-CE 4.4Å; I222-M259 HydrophobicContact CG2-CE 4.3Å; D241-M259 HydrophobicContact CB-CE 4.15Å; L243-M259 HydrophobicContact CD2-SD 4.4Å; V255-M259 HydrophobicContact CG1-SD 4.16Å; V255-M259 VanDerWaalsContact O-CG 3.31Å; V255-M259 WeakPolarHBondContact O-CG 3.15Å; V255-M259 PolarHBondContact O-N 2.84Å; I256-M259 PolarHBondContact O-N 2.81Å
260T97.9Very high98.1Very high29 Ų2932.5 Ų32.518%0.17822%0.215CC..Hα-helixtrans-113.3-3.7-167.754.40000114I222 I256 S257 G258 G263 V264I222-T260 HydrophobicContact CD1-CG2 3.78Å; I256-T260 HydrophobicContact CG2-CG2 4.41Å; I256-T260 WeakPolarHBondContact O-CB 3.37Å; I256-T260 WeakPolarHBondContact O-CG2 3.38Å; I256-T260 PolarHBondContact O-N 3.48Å; I256-T260 PolarHBondContact O-OG1 3.22Å; S257-T260 PolarHBondContact O-N 3.15Å; S257-T260 PolarHBondContact O-OG1 2.99Å; G258-T260 VanDerWaalsContact C-N 3.28Å; G258-T260 PolarHBondContact O-N 3.23Å; T260-G263 WeakPolarHBondContact CB-O 3.28Å; T260-G263 VanDerWaalsContact OG1-CA 3.23Å; T260-G263 WeakPolarHBondContact OG1-CA 3.49Å; T260-G263 PolarHBondContact OG1-N 2.75Å; T260-G263 PolarHBondContact OG1-O 3.47Å; T260-G263 VanDerWaalsContact OG1-O 3.07Å; T260-V264 HydrophobicContact CG2-CG1 3.84Å
261G96.4Very high98Very high72 Ų7230.6 Ų30.674%0.74221%0.211SC*.THydrogen-bonded Turntrans74.129.7-177.100000113.7S257S257-G261 PolarHBondContact O-N 2.91Å
262G96.4Very high97.9Very high36 Ų3628.4 Ų28.437%0.37120%0.199SC..SBendtrans141-9.6173.100000116.3S257S257-G262 PolarHBondContact O-N 3.46Å
263G98.4Very high97.8Very high0 Ų031 Ų310%021%0.212CC..  trans136.9169.8-178.900000112T260 S283 M285T260-G263 WeakPolarHBondContact CB-O 3.28Å; T260-G263 VanDerWaalsContact OG1-CA 3.23Å; T260-G263 WeakPolarHBondContact OG1-CA 3.49Å; T260-G263 PolarHBondContact OG1-N 2.75Å; T260-G263 PolarHBondContact OG1-O 3.47Å; T260-G263 VanDerWaalsContact OG1-O 3.07Å; G263-S283 CarbonylContact C-O 3.56Å; G263-S283 WeakPolarHBondContact CA-O 3.37Å; G263-M285 WeakPolarHBondContact O-CE 3.35Å; G263-M285 WeakPolarHBondContact O-CG 3.31Å
264V98.9Very high97.7Very high0 Ų030.2 Ų30.20%021%0.21CC..BIsolated β-bridgetrans-86.2156173.7-69.60000112.2S196 A198 I222 I256 T260 F266 S283 S284 M285S196-V264 WeakPolarHBondContact OG-CA 3.35Å; A198-V264 HydrophobicContact CB-CB 4.46Å; A198-V264 HydrophobicContact CB-CG1 4.01Å; A198-V264 HydrophobicContact CB-CG2 3.79Å; I222-V264 HydrophobicContact CD1-CG1 4.16Å; I256-V264 HydrophobicContact CG2-CG1 3.83Å; T260-V264 HydrophobicContact CG2-CG1 3.84Å; V264-F266 WeakPolarHBondContact CG2-O 3.44Å; V264-S283 PolarHBondContact N-O 2.74Å; V264-S284 CarbonylContact O-C 3.52Å; V264-S284 VanDerWaalsContact O-CA 3.25Å; V264-S284 WeakPolarHBondContact O-CA 3.3Å; V264-M285 PolarHBondContact O-N 3.21Å
265D98.9Very high97.7Very high35 Ų3531.4 Ų31.419%0.18722%0.216CC..SBendtrans-68.2-39.6172.9-57.2-65000111S196 W288 G289 V290S196-D265 PolarHBondContact N-OD2 3.48Å; S196-D265 WeakPolarHBondContact O-CB 3.12Å; S196-D265 PolarHBondContact O-N 2.92Å; S196-D265 VanDerWaalsContact O-N 3.09Å; S196-D265 PolarHBondContact OG-N 2.81Å; S196-D265 VanDerWaalsContact OG-N 3.08Å; S196-D265 PolarHBondContact OG-OD2 2.86Å; D265-W288 PolarHBondContact OD1-NE1 3.02Å; D265-G289 WeakPolarHBondContact O-CA 3.43Å; D265-V290 PolarHBondContact O-N 3.46Å
266F98.9Very high97.6Very high11 Ų1132.4 Ų32.45%0.04822%0.221CC..EExtended strand (participates in β ladder)trans-131.1129.8-179.5-57.1-84.6000111.9A189 V191 E192 S196 C197 A198 V264 V290A189-F266 HydrophobicContact CB-CD1 3.92Å; A189-F266 WeakPolarHBondContact O-CE1 3.46Å; V191-F266 HydrophobicContact CB-CD2 4.42Å; V191-F266 HydrophobicContact CG1-CD2 4.35Å; V191-F266 HydrophobicContact CG2-CB 4.19Å; V191-F266 HydrophobicContact CG2-CD1 4.36Å; V191-F266 HydrophobicContact CG2-CD2 4.16Å; V191-F266 HydrophobicContact CG2-CG 3.97Å; E192-F266 HydrophobicContact CB-CE2 4.34Å; E192-F266 HydrophobicContact CG-CE2 4.36Å; E192-F266 HydrophobicContact CG-CZ 4.05Å; S196-F266 PolarHBondContact O-N 3.3Å; S196-F266 VanDerWaalsContact O-N 3.07Å; C197-F266 CarbonylContact C-O 3.55Å; C197-F266 WeakPolarHBondContact CA-O 3.44Å; A198-F266 PolarHBondContact N-O 3.15Å; V264-F266 WeakPolarHBondContact CG2-O 3.44Å; F266-V290 CarbonylContact C-O 3.47Å; F266-V290 VanDerWaalsContact CA-O 3.3Å; F266-V290 WeakPolarHBondContact CA-O 3.35Å; F266-V290 HydrophobicContact CD1-CB 3.75Å; F266-V290 HydrophobicContact CD1-CG1 4.35Å; F266-V290 HydrophobicContact CD1-CG2 4.28Å; F266-V290 HydrophobicContact CE1-CB 4.01Å; F266-V290 HydrophobicContact CE1-CG2 4.02Å
267S98.9Very high97.6Very high0 Ų032.6 Ų32.60%022%0.222CC..EExtended strand (participates in β ladder)trans-119.4136169.762.80000110.8A198 A280 V290 S291 V292A198-S267 CarbonylContact O-C 3.54Å; A198-S267 VanDerWaalsContact O-CA 3.27Å; A198-S267 WeakPolarHBondContact O-CA 3.5Å; S267-A280 WeakPolarHBondContact CB-O 3.3Å; S267-A280 PolarHBondContact OG-O 3.07Å; S267-V290 PolarHBondContact N-O 3.24Å; S267-S291 CarbonylContact O-C 3.53Å; S267-S291 WeakPolarHBondContact O-CA 3.4Å; S267-S291 VanDerWaalsContact OG-CA 3.31Å; S267-S291 WeakPolarHBondContact OG-CA 3.29Å; S267-S291 WeakPolarHBondContact OG-CB 3.47Å; S267-S291 PolarHBondContact OG-OG 3.42Å; S267-V292 PolarHBondContact O-N 3.31Å
268L98.9Very high97.6Very high0 Ų034 Ų340%022%0.223CC..EExtended strand (participates in β ladder)trans-121.6118177.8-60.997.1000109.5A184 A185 A198 V199 F200 A209 V292A184-L268 HydrophobicContact CB-CD2 3.86Å; A185-L268 HydrophobicContact CB-CD2 4.13Å; A198-L268 PolarHBondContact O-N 3.41Å; V199-L268 WeakPolarHBondContact CA-O 3.45Å; V199-L268 HydrophobicContact CG2-CD1 4.19Å; F200-L268 PolarHBondContact N-O 2.81Å; A209-L268 HydrophobicContact CB-CD2 4.16Å; L268-V292 WeakPolarHBondContact CA-O 3.41Å; L268-V292 HydrophobicContact CG-CB 4.44Å
269E98.7Very high97.6Very high0 Ų032 Ų320%020%0.199CC..EExtended strand (participates in β ladder)trans-93.6120175.2-168.9-82.4158.900110V271 G272 N273 V276 M277 A280 V292 V294 G295E269-V271 VanDerWaalsContact OE1-CA 3.31Å; E269-V271 WeakPolarHBondContact OE1-CA 3.3Å; E269-V271 WeakPolarHBondContact OE1-CB 3.42Å; E269-V271 PolarHBondContact OE1-N 3.3Å; E269-G272 PolarHBondContact OE1-N 2.86Å; E269-N273 PolarHBondContact OE1-N 2.86Å; E269-V276 HydrophobicContact CG-CB 4.22Å; E269-V276 HydrophobicContact CG-CG1 3.78Å; E269-M277 HydrophobicContact CB-CG 4.4Å; E269-M277 VanDerWaalsContact CD-CG 3.49Å; E269-M277 HydrophobicContact CG-CB 4.36Å; E269-M277 HydrophobicContact CG-CG 3.78Å; E269-M277 WeakPolarHBondContact OE2-CG 3.47Å; E269-A280 HydrophobicContact CB-CB 3.96Å; E269-V292 PolarHBondContact N-O 3.35Å; E269-V294 CarbonylContact O-C 3.44Å; E269-V294 VanDerWaalsContact O-CA 3.3Å; E269-V294 WeakPolarHBondContact O-CA 3.49Å; E269-V294 WeakPolarHBondContact O-CB 3.42Å; E269-V294 PolarHBondContact O-N 2.98Å; E269-G295 PolarHBondContact O-N 3.49Å; E269-G295 PolarHBondContact OE2-N 3.24Å
270C98.2Very high97.7Very high18 Ų1829.4 Ų29.412%0.12219%0.186CC..  trans-12725.4-173-56.70000112.4F200 V205F200-C270 WeakPolarHBondContact O-CA 3.13Å; F200-C270 WeakPolarHBondContact O-CB 3.22Å; F200-C270 PolarHBondContact O-N 3.42Å; V205-C270 HydrophobicContact CG1-CB 4.21Å
271V95.9Very high97.7Very high65 Ų6528 Ų2839%0.39418%0.177SC..SBendtrans-103.6-45.6-178.5-175.50000111.4E269 N273 V276E269-V271 VanDerWaalsContact OE1-CA 3.31Å; E269-V271 WeakPolarHBondContact OE1-CA 3.3Å; E269-V271 WeakPolarHBondContact OE1-CB 3.42Å; E269-V271 PolarHBondContact OE1-N 3.3Å; V271-N273 HydrophobicContact CG1-CB 4.05Å; V271-V276 HydrophobicContact CG2-CG1 4.16Å
272G94.3Very high97.8Very high16 Ų1625.6 Ų25.617%0.16515%0.147CC..  trans94.519.7-169.400000113E269E269-G272 PolarHBondContact OE1-N 2.86Å
273N95.4Very high97.9Very high74 Ų7423.9 Ų23.940%0.39613%0.129SC..  trans-111.2124.5179.8-178.8-71.9000111.3E269 V271 E275 V276 M277E269-N273 PolarHBondContact OE1-N 2.86Å; V271-N273 HydrophobicContact CG1-CB 4.05Å; N273-E275 VanDerWaalsContact C-N 3.3Å; N273-E275 PolarHBondContact O-N 3.08Å; N273-E275 WeakPolarHBondContact OD1-CB 3.4Å; N273-E275 PolarHBondContact OD1-N 3.07Å; N273-V276 HydrophobicContact CB-CB 4.17Å; N273-V276 HydrophobicContact CB-CG2 3.84Å; N273-V276 CarbonylContact O-C 3.58Å; N273-V276 WeakPolarHBondContact O-CA 3.45Å; N273-V276 WeakPolarHBondContact O-CB 3.27Å; N273-V276 PolarHBondContact O-N 2.81Å; N273-V276 PolarHBondContact OD1-N 3.09Å; N273-M277 WeakPolarHBondContact O-CG 3.4Å; N273-M277 PolarHBondContact O-N 2.87Å
274V96.7Very high97.9Very high20 Ų2023.9 Ų23.912%0.12113%0.129CC..Hα-helixtrans-62.3-30.5-173.2-600000114.4M277 R278 T297 F300 I302V274-M277 HydrophobicContact CG1-SD 4.42Å; V274-M277 PolarHBondContact O-N 2.89Å; V274-R278 PolarHBondContact O-N 2.83Å; V274-T297 HydrophobicContact CG1-CG2 4.16Å; V274-F300 HydrophobicContact CG1-CB 3.68Å; V274-F300 HydrophobicContact CG2-CB 4.25Å; V274-I302 HydrophobicContact CB-CB 4.45Å; V274-I302 HydrophobicContact CB-CG1 3.93Å; V274-I302 HydrophobicContact CB-CG2 4.4Å; V274-I302 HydrophobicContact CG1-CG1 3.69Å
275E97Very high97.9Very high116 Ų11625.3 Ų25.354%0.54214%0.136SC..Hα-helixtrans-73.9-33.4175.2-62.9-58149.500111.7N273 S279N273-E275 VanDerWaalsContact C-N 3.3Å; N273-E275 PolarHBondContact O-N 3.08Å; N273-E275 WeakPolarHBondContact OD1-CB 3.4Å; N273-E275 PolarHBondContact OD1-N 3.07Å; E275-S279 WeakPolarHBondContact O-CB 3.41Å; E275-S279 PolarHBondContact O-N 2.93Å; E275-S279 PolarHBondContact O-OG 2.92Å
276V98.1Very high97.8Very high36 Ų3628.5 Ų28.522%0.21815%0.15CC..Hα-helixtrans-71-38.3172.1-1740000110.3F200 E269 V271 N273 R278 S279 A280F200-V276 HydrophobicContact CB-CG1 3.64Å; F200-V276 HydrophobicContact CD1-CG1 3.92Å; F200-V276 HydrophobicContact CG-CG1 4.05Å; E269-V276 HydrophobicContact CG-CB 4.22Å; E269-V276 HydrophobicContact CG-CG1 3.78Å; V271-V276 HydrophobicContact CG2-CG1 4.16Å; N273-V276 HydrophobicContact CB-CB 4.17Å; N273-V276 HydrophobicContact CB-CG2 3.84Å; N273-V276 CarbonylContact O-C 3.58Å; N273-V276 WeakPolarHBondContact O-CA 3.45Å; N273-V276 WeakPolarHBondContact O-CB 3.27Å; N273-V276 PolarHBondContact O-N 2.81Å; N273-V276 PolarHBondContact OD1-N 3.09Å; V276-R278 VanDerWaalsContact C-N 3.31Å; V276-R278 PolarHBondContact O-N 2.84Å; V276-S279 PolarHBondContact O-N 2.78Å; V276-A280 WeakPolarHBondContact O-CB 3.48Å; V276-A280 PolarHBondContact O-N 2.98Å
277M98.6Very high97.6Very high4 Ų430.9 Ų30.92%0.0217%0.172CC..Hα-helixtrans-59.2-44174.5-66.6175-175.200111.5E269 N273 V274 L281 V293 T297 I302 W315E269-M277 HydrophobicContact CB-CG 4.4Å; E269-M277 VanDerWaalsContact CD-CG 3.49Å; E269-M277 HydrophobicContact CG-CB 4.36Å; E269-M277 HydrophobicContact CG-CG 3.78Å; E269-M277 WeakPolarHBondContact OE2-CG 3.47Å; N273-M277 WeakPolarHBondContact O-CG 3.4Å; N273-M277 PolarHBondContact O-N 2.87Å; V274-M277 HydrophobicContact CG1-SD 4.42Å; V274-M277 PolarHBondContact O-N 2.89Å; M277-L281 PolarHBondContact O-N 2.99Å; M277-V293 HydrophobicContact CB-CG2 4.45Å; M277-V293 HydrophobicContact CE-CG1 3.65Å; M277-V293 HydrophobicContact CG-CG1 4.05Å; M277-V293 HydrophobicContact CG-CG2 4.34Å; M277-V293 HydrophobicContact SD-CG1 3.72Å; M277-T297 HydrophobicContact CE-CG2 3.86Å; M277-I302 HydrophobicContact CB-CD1 4.26Å; M277-I302 HydrophobicContact CB-CG2 4.34Å; M277-I302 HydrophobicContact CG-CD1 4.46Å; M277-I302 HydrophobicContact SD-CD1 3.31Å; M277-I302 WeakPolarHBondContact SD-CD1 3.46Å; M277-I302 HydrophobicContact SD-CG1 3.88Å; M277-W315 HydrophobicContact CB-CZ2 4.37Å
278R98.2Very high97.6Very high60 Ų6038.1 Ų38.123%0.22620%0.199CC..Hα-helixtrans-61.5-50.5172.1174.7179.3-169.51549.9111.8V274 V276 A280 L281 E282 A303 I304V274-R278 PolarHBondContact O-N 2.83Å; V276-R278 VanDerWaalsContact C-N 3.31Å; V276-R278 PolarHBondContact O-N 2.84Å; R278-A280 VanDerWaalsContact C-N 3.27Å; R278-A280 PolarHBondContact O-N 2.8Å; R278-L281 WeakPolarHBondContact O-CB 3.16Å; R278-L281 PolarHBondContact O-N 3.31Å; R278-L281 VanDerWaalsContact O-N 3.15Å; R278-E282 HydrophobicContact CG-CG 4.33Å; R278-E282 WeakPolarHBondContact CG-OE1 3.41Å; R278-E282 IonicContact CZ-OE1 3.57Å; R278-E282 IonicContact NE-OE1 2.8Å; R278-E282 PolarHBondContact NE-OE1 2.75Å; R278-E282 IonicContact NE-OE2 3.7Å; R278-E282 IonicContact NH2-OE1 3.45Å; R278-E282 PolarHBondContact NH2-OE1 3.29Å; R278-E282 WeakPolarHBondContact O-CG 3.27Å; R278-E282 PolarHBondContact O-N 2.81Å; R278-A303 PolarHBondContact NH1-O 3.13Å; R278-A303 VanDerWaalsContact NH1-O 3.15Å; R278-I304 HydrophobicContact CG-CG2 4.27Å
279S98.3Very high97.6Very high25 Ų2538.1 Ų38.118%0.17520%0.199CC..Hα-helixtrans-60.1-38-179.1-63.80000112.1E275 V276 E282 S283E275-S279 WeakPolarHBondContact O-CB 3.41Å; E275-S279 PolarHBondContact O-N 2.93Å; E275-S279 PolarHBondContact O-OG 2.92Å; V276-S279 PolarHBondContact O-N 2.78Å; S279-E282 PolarHBondContact O-N 2.86Å; S279-S283 VanDerWaalsContact O-CB 3.29Å; S279-S283 WeakPolarHBondContact O-CB 3.3Å; S279-S283 PolarHBondContact O-N 2.88Å; S279-S283 PolarHBondContact O-OG 3.13Å
280A98.7Very high97.6Very high0 Ų038.9 Ų38.90%020%0.204CC..Hα-helixtrans-60.8-50.7174.200000110.9F200 S267 E269 V276 R278 E282 S283 S284F200-A280 HydrophobicContact CD2-CB 3.72Å; F200-A280 HydrophobicContact CE2-CB 3.71Å; F200-A280 HydrophobicContact CG-CB 4.36Å; F200-A280 HydrophobicContact CZ-CB 4.31Å; S267-A280 WeakPolarHBondContact CB-O 3.3Å; S267-A280 PolarHBondContact OG-O 3.07Å; E269-A280 HydrophobicContact CB-CB 3.96Å; V276-A280 WeakPolarHBondContact O-CB 3.48Å; V276-A280 PolarHBondContact O-N 2.98Å; R278-A280 VanDerWaalsContact C-N 3.27Å; R278-A280 PolarHBondContact O-N 2.8Å; A280-E282 PolarHBondContact O-N 2.9Å; A280-S283 PolarHBondContact O-N 2.89Å; A280-S283 PolarHBondContact O-OG 2.76Å; A280-S284 PolarHBondContact O-N 2.74Å
281L98.8Very high97.6Very high0 Ų038 Ų380%020%0.198CC..Hα-helixtrans-56.1-49174.6178.966.8000112.3M277 R278 S283 S284 S291 I304 H308 L309 R313 W315M277-L281 PolarHBondContact O-N 2.99Å; R278-L281 WeakPolarHBondContact O-CB 3.16Å; R278-L281 PolarHBondContact O-N 3.31Å; R278-L281 VanDerWaalsContact O-N 3.15Å; L281-S283 PolarHBondContact O-N 2.95Å; L281-S284 PolarHBondContact O-N 3.12Å; L281-S284 PolarHBondContact O-OG 3.04Å; L281-S291 PolarHBondContact N-OG 2.87Å; L281-I304 HydrophobicContact CD2-CB 4.42Å; L281-I304 HydrophobicContact CD2-CD1 3.61Å; L281-I304 HydrophobicContact CD2-CG2 4.01Å; L281-H308 HydrophobicContact CD2-CB 4.28Å; L281-L309 HydrophobicContact CD1-CD2 4.31Å; L281-L309 HydrophobicContact CD2-CD2 4.28Å; L281-R313 HydrophobicContact CD1-CB 4.11Å; L281-R313 WeakPolarHBondContact O-CD 3.49Å; L281-R313 PolarHBondContact O-NE 2.85Å; L281-W315 HydrophobicContact CD1-CB 3.91Å; L281-W315 HydrophobicContact CD1-CD2 4.45Å; L281-W315 HydrophobicContact CD1-CG 3.88Å; L281-W315 HydrophobicContact CD2-CD2 3.96Å; L281-W315 HydrophobicContact CD2-CE3 4.09Å; L281-W315 HydrophobicContact CD2-CG 4.24Å; L281-W315 HydrophobicContact CG-CG 4.49Å
282E98.4Very high97.8Very high22 Ų2235 Ų3510%0.10318%0.179CC..Hα-helixtrans-65.8-25.9-178.4-69.3177175.400112.5H253 R278 S279 A280 S284 H308H253-E282 HydrophobicContact CB-CB 3.97Å; H253-E282 IonicContact CE1-OE2 3.39Å; H253-E282 PolarHBondContact CE1-OE2 3.4Å; H253-E282 IonicContact CG-OE2 3.86Å; H253-E282 IonicContact ND1-OE2 3.57Å; H253-E282 PolarHBondContact ND1-OE2 2.77Å; H253-E282 IonicContact NE2-OE2 3.18Å; R278-E282 HydrophobicContact CG-CG 4.33Å; R278-E282 WeakPolarHBondContact CG-OE1 3.41Å; R278-E282 IonicContact CZ-OE1 3.57Å; R278-E282 IonicContact NE-OE1 2.8Å; R278-E282 PolarHBondContact NE-OE1 2.75Å; R278-E282 IonicContact NE-OE2 3.7Å; R278-E282 IonicContact NH2-OE1 3.45Å; R278-E282 PolarHBondContact NH2-OE1 3.29Å; R278-E282 WeakPolarHBondContact O-CG 3.27Å; R278-E282 PolarHBondContact O-N 2.81Å; S279-E282 PolarHBondContact O-N 2.86Å; A280-E282 PolarHBondContact O-N 2.9Å; E282-S284 VanDerWaalsContact C-N 3.31Å; E282-S284 PolarHBondContact O-N 2.86Å; E282-H308 IonicContact OE1-NE2 2.87Å
283S98.6Very high98Very high0 Ų035.5 Ų35.50%018%0.179CC..Hα-helixtrans-77-12.5176.576.70000114.7F200 G263 V264 S279 A280 L281F200-S283 WeakPolarHBondContact CZ-OG 3.4Å; G263-S283 CarbonylContact C-O 3.56Å; G263-S283 WeakPolarHBondContact CA-O 3.37Å; V264-S283 PolarHBondContact N-O 2.74Å; S279-S283 VanDerWaalsContact O-CB 3.29Å; S279-S283 WeakPolarHBondContact O-CB 3.3Å; S279-S283 PolarHBondContact O-N 2.88Å; S279-S283 PolarHBondContact O-OG 3.13Å; A280-S283 PolarHBondContact O-N 2.89Å; A280-S283 PolarHBondContact O-OG 2.76Å; L281-S283 PolarHBondContact O-N 2.95Å
284S98.4Very high98.1Very high0 Ų032.6 Ų32.60%017%0.165CC..BIsolated β-bridgetrans-85152.5178.969.70000112.1V264 A280 L281 E282 E286 R313V264-S284 CarbonylContact O-C 3.52Å; V264-S284 VanDerWaalsContact O-CA 3.25Å; V264-S284 WeakPolarHBondContact O-CA 3.3Å; A280-S284 PolarHBondContact O-N 2.74Å; L281-S284 PolarHBondContact O-N 3.12Å; L281-S284 PolarHBondContact O-OG 3.04Å; E282-S284 VanDerWaalsContact C-N 3.31Å; E282-S284 PolarHBondContact O-N 2.86Å; S284-E286 PolarHBondContact O-N 2.86Å; S284-R313 VanDerWaalsContact O-CZ 3.27Å; S284-R313 PolarHBondContact O-NE 3.09Å; S284-R313 PolarHBondContact O-NH2 2.88Å; S284-R313 WeakPolarHBondContact OG-CD 3.45Å; S284-R313 PolarHBondContact OG-NE 3.37Å
285M98.3Very high98.1Very high30 Ų3032.3 Ų32.315%0.14817%0.166CC..  trans-52.5134.1178.3-80.5-63-169.500111.8G263 V264 A287 W288 G289 R313G263-M285 WeakPolarHBondContact O-CE 3.35Å; G263-M285 WeakPolarHBondContact O-CG 3.31Å; V264-M285 PolarHBondContact O-N 3.21Å; M285-A287 VanDerWaalsContact C-N 3.34Å; M285-A287 PolarHBondContact O-N 2.5Å; M285-W288 HydrophobicContact CB-CD2 4.3Å; M285-W288 HydrophobicContact CB-CZ2 4.21Å; M285-W288 HydrophobicContact CE-CZ2 4.37Å; M285-W288 HydrophobicContact CG-CZ2 3.85Å; M285-W288 HydrophobicContact SD-CZ2 4.2Å; M285-G289 VanDerWaalsContact O-CA 3.25Å; M285-G289 WeakPolarHBondContact O-CA 3.33Å; M285-G289 PolarHBondContact O-N 2.9Å; M285-R313 WeakPolarHBondContact O-CG 3.08Å
286E96.4Very high97.7Very high102 Ų10231.2 Ų31.248%0.47716%0.157SC..THydrogen-bonded Turntrans-62.5-37.1-172.1178.9166.2-176.100114.7S284 C311 R313S284-E286 PolarHBondContact O-N 2.86Å; E286-C311 HydrophobicContact CG-CB 3.57Å; E286-C311 CarbonylContact O-C 3.41Å; E286-C311 WeakPolarHBondContact OE1-CB 3.5Å; E286-C311 PolarHBondContact OE1-SG 3.33Å; E286-R313 VanDerWaalsContact CA-CZ 3.41Å; E286-R313 PolarHBondContact O-N 3.21Å
287A95.9Very high97.3Very high61 Ų6131.1 Ų31.150%0.50416%0.156SC..THydrogen-bonded Turntrans-92.6-23.1-170.300000114.7M285M285-A287 VanDerWaalsContact C-N 3.34Å; M285-A287 PolarHBondContact O-N 2.5Å
288W98.1Very high96.7Very high151 Ų15134.5 Ų34.557%0.57217%0.174SC*.THydrogen-bonded Turntrans-145-3-17761.184000114.7D265 M285D265-W288 PolarHBondContact OD1-NE1 3.02Å; M285-W288 HydrophobicContact CB-CD2 4.3Å; M285-W288 HydrophobicContact CB-CZ2 4.21Å; M285-W288 HydrophobicContact CE-CZ2 4.37Å; M285-W288 HydrophobicContact CG-CZ2 3.85Å; M285-W288 HydrophobicContact SD-CZ2 4.2Å
289G98.8Very high96.1Very high0 Ų036.4 Ų36.40%019%0.187CC..  trans-59.6139.4-173.400000112.6D265 M285 R313 T314D265-G289 WeakPolarHBondContact O-CA 3.43Å; M285-G289 VanDerWaalsContact O-CA 3.25Å; M285-G289 WeakPolarHBondContact O-CA 3.33Å; M285-G289 PolarHBondContact O-N 2.9Å; G289-R313 CarbonylContact O-C 3.59Å; G289-R313 VanDerWaalsContact O-CA 3.31Å; G289-R313 WeakPolarHBondContact O-CA 3.3Å; G289-T314 PolarHBondContact O-N 2.95Å
290V98.9Very high95.7Very high17 Ų1742 Ų4210%0.10321%0.208CC..EExtended strand (participates in β ladder)trans-112.3118.3177.7-178.80000109.5D265 F266 S267 V292 T314 K316D265-V290 PolarHBondContact O-N 3.46Å; F266-V290 CarbonylContact C-O 3.47Å; F266-V290 VanDerWaalsContact CA-O 3.3Å; F266-V290 WeakPolarHBondContact CA-O 3.35Å; F266-V290 HydrophobicContact CD1-CB 3.75Å; F266-V290 HydrophobicContact CD1-CG1 4.35Å; F266-V290 HydrophobicContact CD1-CG2 4.28Å; F266-V290 HydrophobicContact CE1-CB 4.01Å; F266-V290 HydrophobicContact CE1-CG2 4.02Å; S267-V290 PolarHBondContact N-O 3.24Å; V290-V292 HydrophobicContact CG1-CG2 4.2Å; V290-T314 CarbonylContact C-O 3.49Å; V290-T314 WeakPolarHBondContact CA-O 3.47Å; V290-K316 HydrophobicContact CG1-CD 4.25Å
291S98.9Very high95.5Very high0 Ų049.5 Ų49.50%025%0.248CC..EExtended strand (participates in β ladder)trans-106.5131.1172.8-177.80000111.1S267 L281 T314 W315 K316S267-S291 CarbonylContact O-C 3.53Å; S267-S291 WeakPolarHBondContact O-CA 3.4Å; S267-S291 VanDerWaalsContact OG-CA 3.31Å; S267-S291 WeakPolarHBondContact OG-CA 3.29Å; S267-S291 WeakPolarHBondContact OG-CB 3.47Å; S267-S291 PolarHBondContact OG-OG 3.42Å; L281-S291 PolarHBondContact N-OG 2.87Å; S291-T314 PolarHBondContact N-O 3.11Å; S291-W315 WeakPolarHBondContact O-CA 3.3Å; S291-K316 PolarHBondContact O-N 3.39Å
292V98.9Very high95.3Very high0 Ų052.4 Ų52.40%026%0.263CS..EExtended strand (participates in β ladder)trans-117.2119.1-178.2-174.50000110.2A184 T188 A189 S267 L268 E269 V290 V294 K316A184-V292 HydrophobicContact CB-CG1 4.45Å; T188-V292 HydrophobicContact CG2-CG1 3.9Å; T188-V292 HydrophobicContact CG2-CG2 4.39Å; A189-V292 HydrophobicContact CB-CG2 3.76Å; S267-V292 PolarHBondContact O-N 3.31Å; L268-V292 WeakPolarHBondContact CA-O 3.41Å; L268-V292 HydrophobicContact CG-CB 4.44Å; E269-V292 PolarHBondContact N-O 3.35Å; V290-V292 HydrophobicContact CG1-CG2 4.2Å; V292-V294 HydrophobicContact CG1-CG2 3.95Å; V292-K316 CarbonylContact C-O 3.58Å; V292-K316 VanDerWaalsContact CA-O 3.28Å; V292-K316 WeakPolarHBondContact CA-O 3.39Å; V292-K316 HydrophobicContact CG2-CD 4.34Å; V292-K316 HydrophobicContact CG2-CG 3.99Å
293V98.7Very high95.1Very high27 Ų2754.7 Ų54.716%0.16429%0.286CS..EExtended strand (participates in β ladder)trans-83.6121.1170.4-177.40000108.9M277 W315 K316 G317 S318M277-V293 HydrophobicContact CB-CG2 4.45Å; M277-V293 HydrophobicContact CE-CG1 3.65Å; M277-V293 HydrophobicContact CG-CG1 4.05Å; M277-V293 HydrophobicContact CG-CG2 4.34Å; M277-V293 HydrophobicContact SD-CG1 3.72Å; V293-W315 HydrophobicContact CG2-CZ2 4.11Å; V293-K316 PolarHBondContact N-O 3.31Å; V293-G317 CarbonylContact O-C 3.57Å; V293-G317 WeakPolarHBondContact O-CA 3.46Å; V293-S318 PolarHBondContact O-N 3.23Å
294V98.3Very high95Very high14 Ų1456.6 Ų56.69%0.08530%0.296CS..  trans-120-35.9179.5-166.70000110.7T180 A184 V205 E269 V292T180-V294 HydrophobicContact CG2-CG1 3.48Å; T180-V294 VanDerWaalsContact CG2-CG1 3.48Å; A184-V294 HydrophobicContact CB-CG1 4.29Å; A184-V294 HydrophobicContact CB-CG2 3.56Å; V205-V294 HydrophobicContact CG1-CG1 3.65Å; E269-V294 CarbonylContact O-C 3.44Å; E269-V294 VanDerWaalsContact O-CA 3.3Å; E269-V294 WeakPolarHBondContact O-CA 3.49Å; E269-V294 WeakPolarHBondContact O-CB 3.42Å; E269-V294 PolarHBondContact O-N 2.98Å; V292-V294 HydrophobicContact CG1-CG2 3.95Å
295G95.1Very high94.9Very high14 Ų1463 Ų6314%0.14432%0.32CS..SBendtrans-57.1140.4173.300000112E269E269-G295 PolarHBondContact O-N 3.49Å; E269-G295 PolarHBondContact OE2-N 3.24Å
296W90.1Very high94.9Very high93 Ų9365.9 Ų65.935%0.35234%0.341SS..  trans-99.7128.8-176.9-175.9-89.2000111.1Y52 M319Y52-W296 AromaticContact CE1-CD1 3.81Å; Y52-W296 AromaticContact CE1-NE1 3.88Å; W296-M319 HydrophobicContact CE3-CE 4.44Å; W296-M319 HydrophobicContact CE3-SD 4.5Å; W296-M319 HydrophobicContact CZ3-SD 4.02Å
297T88.8Confident94.9Very high33 Ų3367.5 Ų67.520%0.20234%0.343CS..  trans-155.6144.5163-174.60000108.8V274 M277 M299V274-T297 HydrophobicContact CG1-CG2 4.16Å; M277-T297 HydrophobicContact CE-CG2 3.86Å; T297-M299 PolarHBondContact OG1-N 3.05Å
298D85.8Confident94.9Very high76 Ų7665.5 Ų65.541%0.40632%0.323SS..SBendtrans-123.39.4171.264.6-10.3000112.4Y52Y52-D298 PolarHBondContact OH-N 2.95Å; Y52-D298 PolarHBondContact OH-OD1 2.9Å
299M86.3Confident94.9Very high99 Ų9961.7 Ų61.749%0.48831%0.314SS..SBendtrans-93-21-173.7-67.1-65.4-69.100113.8Y52 T297Y52-M299 WeakPolarHBondContact OH-CG 3.47Å; T297-M299 PolarHBondContact OG1-N 3.05Å
300F90.4Very high94.9Very high143 Ų14368.5 Ų68.563%0.62735%0.348SS*.  trans-137.9144.3-169.2-54.6-70.5000112.2V274V274-F300 HydrophobicContact CG1-CB 3.68Å; V274-F300 HydrophobicContact CG2-CB 4.25Å
301D94.7Very high94.8Very high157 Ų15770.4 Ų70.484%0.8436%0.362SS*.  trans-79151.8170-70-40.1000111.4
302I94.3Very high94.7Very high62 Ų6272 Ų7232%0.31838%0.378SS..  trans-106.5124.3173.6-43.5159.7000109.6V274 M277 W315V274-I302 HydrophobicContact CB-CB 4.45Å; V274-I302 HydrophobicContact CB-CG1 3.93Å; V274-I302 HydrophobicContact CB-CG2 4.4Å; V274-I302 HydrophobicContact CG1-CG1 3.69Å; M277-I302 HydrophobicContact CB-CD1 4.26Å; M277-I302 HydrophobicContact CB-CG2 4.34Å; M277-I302 HydrophobicContact CG-CD1 4.46Å; M277-I302 HydrophobicContact SD-CD1 3.31Å; M277-I302 WeakPolarHBondContact SD-CD1 3.46Å; M277-I302 HydrophobicContact SD-CG1 3.88Å; I302-W315 HydrophobicContact CB-CH2 3.9Å; I302-W315 HydrophobicContact CD1-CH2 3.92Å; I302-W315 HydrophobicContact CD1-CZ2 4.05Å; I302-W315 HydrophobicContact CG2-CH2 3.5Å; I302-W315 HydrophobicContact CG2-CZ2 4Å
303A94.6Very high94.7Very high70 Ų7073 Ų7358%0.57938%0.382SS*.  trans-110.1119.9-178.100000112.7R278R278-A303 PolarHBondContact NH1-O 3.13Å; R278-A303 VanDerWaalsContact NH1-O 3.15Å
304I95.6Very high94.7Very high40 Ų4074.7 Ų74.721%0.20539%0.392CS..  trans-128.3156.2177.563.5162000111.7R278 L281 L309 W315R278-I304 HydrophobicContact CG-CG2 4.27Å; L281-I304 HydrophobicContact CD2-CB 4.42Å; L281-I304 HydrophobicContact CD2-CD1 3.61Å; L281-I304 HydrophobicContact CD2-CG2 4.01Å; I304-L309 HydrophobicContact CD1-CD1 3.88Å; I304-L309 HydrophobicContact CD1-CD2 4.33Å; I304-L309 HydrophobicContact CD1-CG 3.89Å; I304-W315 HydrophobicContact CD1-CE3 3.83Å; I304-W315 HydrophobicContact CD1-CZ3 3.73Å; I304-W315 HydrophobicContact CG1-CZ3 4.15Å; I304-W315 HydrophobicContact CG2-CH2 4.04Å; I304-W315 HydrophobicContact CG2-CZ3 4.11Å
305R96.3Very high94.7Very high134 Ų13477.3 Ų77.351%0.50640%0.4SS..  trans-74126.8167.5-62.9177174.3153.4-1.3109.2R307 H308R305-R307 HydrophobicContact CB-CG 4.1Å; R305-R307 PolarHBondContact O-N 3.2Å; R305-H308 WeakPolarHBondContact O-CB 3.3Å; R305-H308 PolarHBondContact O-CD2 2.93Å; R305-H308 PolarHBondContact O-N 3.15Å
306P97.4Very high94.9Very high91 Ų9180.2 Ų80.259%0.59141%0.409SS*.THydrogen-bonded Turntrans-55.9-28.3-177.8-29.436000114.7H308 L309 I310P306-H308 PolarHBondContact O-N 3.26Å; P306-H308 VanDerWaalsContact O-N 3.11Å; P306-L309 PolarHBondContact O-N 2.87Å; P306-I310 HydrophobicContact CB-CD1 4.26Å; P306-I310 PolarHBondContact O-N 2.78Å; P306-I310 VanDerWaalsContact O-N 3.08Å
307R96.6Very high95.2Very high135 Ų13578.5 Ų78.551%0.50942%0.42SS..Hα-helixtrans-53.1-32175.777.4-178.9-173.3-149.17.2113.1R305 L309 I310 C311R305-R307 HydrophobicContact CB-CG 4.1Å; R305-R307 PolarHBondContact O-N 3.2Å; R307-L309 PolarHBondContact O-N 3.35Å; R307-I310 PolarHBondContact O-N 2.71Å; R307-C311 WeakPolarHBondContact O-CB 3.47Å; R307-C311 PolarHBondContact O-N 2.89Å; R307-C311 PolarHBondContact O-SG 2.83Å
308H96.8Very high95.7Very high19 Ų1977.3 Ų77.39%0.08841%0.413CS..Hα-helixtrans-59-34.5179.4-68.6-65.7000111.9L281 E282 R305 P306 R313L281-H308 HydrophobicContact CD2-CB 4.28Å; E282-H308 IonicContact OE1-NE2 2.87Å; R305-H308 WeakPolarHBondContact O-CB 3.3Å; R305-H308 PolarHBondContact O-CD2 2.93Å; R305-H308 PolarHBondContact O-N 3.15Å; P306-H308 PolarHBondContact O-N 3.26Å; P306-H308 VanDerWaalsContact O-N 3.11Å; H308-R313 VanDerWaalsContact O-CB 3.23Å; H308-R313 WeakPolarHBondContact O-CB 3.31Å; H308-R313 WeakPolarHBondContact O-CD 3.48Å; H308-R313 VanDerWaalsContact O-CG 3.3Å; H308-R313 WeakPolarHBondContact O-CG 3.25Å
309L98.2Very high96.1Very high72 Ų7276 Ų7638%0.37741%0.405SS..Hα-helixtrans-88.1-42.6176.9-57.5-179000112.1L281 I304 P306 R307 C311 G312 W315L281-L309 HydrophobicContact CD1-CD2 4.31Å; L281-L309 HydrophobicContact CD2-CD2 4.28Å; I304-L309 HydrophobicContact CD1-CD1 3.88Å; I304-L309 HydrophobicContact CD1-CD2 4.33Å; I304-L309 HydrophobicContact CD1-CG 3.89Å; P306-L309 PolarHBondContact O-N 2.87Å; R307-L309 PolarHBondContact O-N 3.35Å; L309-C311 PolarHBondContact O-N 2.8Å; L309-G312 PolarHBondContact O-N 2.85Å; L309-W315 HydrophobicContact CD2-CB 3.77Å
310I97.9Very high96.6Very high143 Ų14371.2 Ų71.273%0.73338%0.382SS*.Hα-helixtrans-57.4-35.9-179.2-66.1168.7000111.3P306 R307 G312P306-I310 HydrophobicContact CB-CD1 4.26Å; P306-I310 PolarHBondContact O-N 2.78Å; P306-I310 VanDerWaalsContact O-N 3.08Å; R307-I310 PolarHBondContact O-N 2.71Å; I310-G312 VanDerWaalsContact C-N 3.25Å; I310-G312 PolarHBondContact O-N 2.76Å
311C96.7Very high96.9Very high57 Ų5764.4 Ų64.439%0.38535%0.352SS..THydrogen-bonded Turntrans-75.1-5.4-179.2-65.50000114.9E286 R307 L309E286-C311 HydrophobicContact CG-CB 3.57Å; E286-C311 CarbonylContact O-C 3.41Å; E286-C311 WeakPolarHBondContact OE1-CB 3.5Å; E286-C311 PolarHBondContact OE1-SG 3.33Å; R307-C311 WeakPolarHBondContact O-CB 3.47Å; R307-C311 PolarHBondContact O-N 2.89Å; R307-C311 PolarHBondContact O-SG 2.83Å; L309-C311 PolarHBondContact O-N 2.8Å
312G97.9Very high97.1Very high32 Ų3258.3 Ų58.333%0.3333%0.326SS..THydrogen-bonded Turntrans127.3-9170.600000116.4L309 I310L309-G312 PolarHBondContact O-N 2.85Å; I310-G312 VanDerWaalsContact C-N 3.25Å; I310-G312 PolarHBondContact O-N 2.76Å
313R98.6Very high97.2Very high23 Ų2356.7 Ų56.79%0.08732%0.317CS..  trans-62.8146.1174.5-63.7-178.217682-0.8111.6L281 S284 M285 E286 G289 H308L281-R313 HydrophobicContact CD1-CB 4.11Å; L281-R313 WeakPolarHBondContact O-CD 3.49Å; L281-R313 PolarHBondContact O-NE 2.85Å; S284-R313 VanDerWaalsContact O-CZ 3.27Å; S284-R313 PolarHBondContact O-NE 3.09Å; S284-R313 PolarHBondContact O-NH2 2.88Å; S284-R313 WeakPolarHBondContact OG-CD 3.45Å; S284-R313 PolarHBondContact OG-NE 3.37Å; M285-R313 WeakPolarHBondContact O-CG 3.08Å; E286-R313 VanDerWaalsContact CA-CZ 3.41Å; E286-R313 PolarHBondContact O-N 3.21Å; G289-R313 CarbonylContact O-C 3.59Å; G289-R313 VanDerWaalsContact O-CA 3.31Å; G289-R313 WeakPolarHBondContact O-CA 3.3Å; H308-R313 VanDerWaalsContact O-CB 3.23Å; H308-R313 WeakPolarHBondContact O-CB 3.31Å; H308-R313 WeakPolarHBondContact O-CD 3.48Å; H308-R313 VanDerWaalsContact O-CG 3.3Å; H308-R313 WeakPolarHBondContact O-CG 3.25Å
314T98.8Very high97.4Very high62 Ų6255.4 Ų55.438%0.3830%0.298SS..EExtended strand (participates in β ladder)trans-106.7127.7167.8-600000110G289 V290 S291G289-T314 PolarHBondContact O-N 2.95Å; V290-T314 CarbonylContact C-O 3.49Å; V290-T314 WeakPolarHBondContact CA-O 3.47Å; S291-T314 PolarHBondContact N-O 3.11Å
315W98.5Very high97.4Very high68 Ų6853.5 Ų53.526%0.25829%0.289SS..EExtended strand (participates in β ladder)trans-117.9128173.9-159.229000110.3M277 L281 S291 V293 I302 I304 L309M277-W315 HydrophobicContact CB-CZ2 4.37Å; L281-W315 HydrophobicContact CD1-CB 3.91Å; L281-W315 HydrophobicContact CD1-CD2 4.45Å; L281-W315 HydrophobicContact CD1-CG 3.88Å; L281-W315 HydrophobicContact CD2-CD2 3.96Å; L281-W315 HydrophobicContact CD2-CE3 4.09Å; L281-W315 HydrophobicContact CD2-CG 4.24Å; L281-W315 HydrophobicContact CG-CG 4.49Å; S291-W315 WeakPolarHBondContact O-CA 3.3Å; V293-W315 HydrophobicContact CG2-CZ2 4.11Å; I302-W315 HydrophobicContact CB-CH2 3.9Å; I302-W315 HydrophobicContact CD1-CH2 3.92Å; I302-W315 HydrophobicContact CD1-CZ2 4.05Å; I302-W315 HydrophobicContact CG2-CH2 3.5Å; I302-W315 HydrophobicContact CG2-CZ2 4Å; I304-W315 HydrophobicContact CD1-CE3 3.83Å; I304-W315 HydrophobicContact CD1-CZ3 3.73Å; I304-W315 HydrophobicContact CG1-CZ3 4.15Å; I304-W315 HydrophobicContact CG2-CH2 4.04Å; I304-W315 HydrophobicContact CG2-CZ3 4.11Å; L309-W315 HydrophobicContact CD2-CB 3.77Å
316K98.1Very high97.4Very high76 Ų7647.4 Ų47.433%0.3327%0.266SS..EExtended strand (participates in β ladder)trans-148158.9-174.964.5-174.871.8163.40111.4T188 V290 S291 V292 V293T188-K316 HydrophobicContact CG2-CD 3.83Å; T188-K316 HydrophobicContact CG2-CG 4.14Å; V290-K316 HydrophobicContact CG1-CD 4.25Å; S291-K316 PolarHBondContact O-N 3.39Å; V292-K316 CarbonylContact C-O 3.58Å; V292-K316 VanDerWaalsContact CA-O 3.28Å; V292-K316 WeakPolarHBondContact CA-O 3.39Å; V292-K316 HydrophobicContact CG2-CD 4.34Å; V292-K316 HydrophobicContact CG2-CG 3.99Å; V293-K316 PolarHBondContact N-O 3.31Å
317G97.9Very high97.4Very high56 Ų5646.8 Ų46.858%0.57726%0.257SS*.EExtended strand (participates in β ladder)trans-100.9158.7173.200000112.5V293V293-G317 CarbonylContact O-C 3.57Å; V293-G317 WeakPolarHBondContact O-CA 3.46Å
318S97.5Very high97.4Very high9 Ų940.9 Ų40.96%0.06324%0.239CC..  trans-131101.9177.3-170.70000111.8T188 V293 G321T188-S318 PolarHBondContact OG1-OG 2.87Å; V293-S318 PolarHBondContact O-N 3.23Å; S318-G321 WeakPolarHBondContact OG-CA 3.38Å
319M95.2Very high97.5Very high47 Ų4740 Ų4023%0.23223%0.234CC..G310 helixtrans-85128.2169.4-172.780.3-83.200110.5F95 L96 N111 W296 G321 G322F95-M319 HydrophobicContact CE2-CE 3.92Å; F95-M319 HydrophobicContact CE2-CG 4.47Å; F95-M319 HydrophobicContact CE2-SD 4.09Å; F95-M319 HydrophobicContact CZ-CE 4Å; L96-M319 HydrophobicContact CD1-CG 4.47Å; L96-M319 HydrophobicContact CD2-CG 4.4Å; N111-M319 PolarHBondContact ND2-O 3.04Å; W296-M319 HydrophobicContact CE3-CE 4.44Å; W296-M319 HydrophobicContact CE3-SD 4.5Å; W296-M319 HydrophobicContact CZ3-SD 4.02Å; M319-G321 PolarHBondContact O-N 2.86Å; M319-G322 PolarHBondContact O-N 3.21Å
320F96.8Very high97.5Very high0 Ų037.9 Ų37.90%023%0.227CC..G310 helixtrans48.836.6177.7-162.7-130.2000112.9F95 L96 G175 C179 G322 F323 A325 V329F95-F320 HydrophobicContact CE1-CB 4.36Å; F95-F320 AromaticContact CE1-CD2 3.43Å; F95-F320 HydrophobicContact CE1-CD2 3.43Å; F95-F320 VanDerWaalsContact CE1-CD2 3.43Å; F95-F320 AromaticContact CE1-CE2 3.92Å; F95-F320 HydrophobicContact CE1-CE2 3.92Å; F95-F320 HydrophobicContact CE1-CG 4.02Å; F95-F320 HydrophobicContact CZ-CB 3.77Å; F95-F320 AromaticContact CZ-CD2 3.71Å; F95-F320 HydrophobicContact CZ-CD2 3.71Å; F95-F320 AromaticContact CZ-CG 3.95Å; F95-F320 HydrophobicContact CZ-CG 3.95Å; L96-F320 HydrophobicContact CB-CD1 4.49Å; L96-F320 HydrophobicContact CD2-CB 4Å; L96-F320 HydrophobicContact CD2-CD1 4.42Å; G175-F320 WeakPolarHBondContact O-CE2 3.48Å; C179-F320 HydrophobicContact CB-CD2 4.15Å; C179-F320 HydrophobicContact CB-CE1 4.46Å; C179-F320 HydrophobicContact CB-CE2 3.51Å; C179-F320 HydrophobicContact CB-CZ 3.72Å; F320-G322 PolarHBondContact O-N 2.87Å; F320-G322 VanDerWaalsContact O-N 3.15Å; F320-F323 HydrophobicContact CD1-CB 4.27Å; F320-F323 PolarHBondContact O-N 3.41Å; F320-F323 VanDerWaalsContact O-N 3.16Å; F320-A325 HydrophobicContact CD1-CB 3.86Å; F320-A325 HydrophobicContact CE1-CB 3.71Å; F320-V329 HydrophobicContact CE1-CG2 3.71Å; F320-V329 HydrophobicContact CZ-CG2 3.44Å; F320-V329 VanDerWaalsContact CZ-CG2 3.44Å
321G97.7Very high97.5Very high0 Ų032.1 Ų32.10%020%0.203CC..G310 helixtrans63.323178.200000114.4T180 G183 N187 S318 M319 F323T180-G321 VanDerWaalsContact O-CA 3.22Å; T180-G321 WeakPolarHBondContact O-CA 3.37Å; G183-G321 VanDerWaalsContact C-CA 3.43Å; G183-G321 CarbonylContact C-O 3.6Å; G183-G321 WeakPolarHBondContact CA-O 3.42Å; G183-G321 VanDerWaalsContact O-O 3.04Å; N187-G321 WeakPolarHBondContact CB-O 3.39Å; N187-G321 PolarHBondContact ND2-O 3.17Å; S318-G321 WeakPolarHBondContact OG-CA 3.38Å; M319-G321 PolarHBondContact O-N 2.86Å; G321-F323 PolarHBondContact O-N 2.85Å; G321-F323 VanDerWaalsContact O-N 3.11Å
322G97.3Very high97.6Very high29 Ų2929.8 Ų29.830%0.29919%0.187SC..G310 helixtrans69.83.7-177.300000114.7M319 F320M319-G322 PolarHBondContact O-N 3.21Å; F320-G322 PolarHBondContact O-N 2.87Å; F320-G322 VanDerWaalsContact O-N 3.15Å
323F97.8Very high97.6Very high27 Ų2728.3 Ų28.312%0.11817%0.171CC..  trans-69.5133.7178.6-76.3-69.5000111.4N111 C179 Y182 G183 N187 F320 G321 A325 M332N111-F323 WeakPolarHBondContact CB-O 3.48Å; N111-F323 PolarHBondContact ND2-O 3.21Å; C179-F323 HydrophobicContact CB-CD2 4.06Å; C179-F323 HydrophobicContact CB-CE2 4.3Å; C179-F323 WeakPolarHBondContact O-CD2 3.2Å; C179-F323 WeakPolarHBondContact O-CE2 3.21Å; Y182-F323 HydrophobicContact CD1-CZ 4.32Å; G183-F323 VanDerWaalsContact CA-CE2 3.45Å; N187-F323 WeakPolarHBondContact ND2-CD1 3.34Å; N187-F323 VanDerWaalsContact ND2-CE1 3.27Å; N187-F323 WeakPolarHBondContact ND2-CE1 3.46Å; N187-F323 WeakPolarHBondContact ND2-CE2 3.43Å; N187-F323 VanDerWaalsContact ND2-CZ 3.27Å; N187-F323 WeakPolarHBondContact ND2-CZ 3.42Å; F320-F323 HydrophobicContact CD1-CB 4.27Å; F320-F323 PolarHBondContact O-N 3.41Å; F320-F323 VanDerWaalsContact O-N 3.16Å; G321-F323 PolarHBondContact O-N 2.85Å; G321-F323 VanDerWaalsContact O-N 3.11Å; F323-A325 PolarHBondContact O-N 3.46Å; F323-A325 VanDerWaalsContact O-N 3.09Å; F323-M332 HydrophobicContact CE2-CG 4.43Å; F323-M332 HydrophobicContact CZ-CG 4.08Å; F323-M332 HydrophobicContact CZ-SD 3.96Å
324K97.3Very high97.6Very high43 Ų4334.1 Ų34.119%0.18719%0.193CC..  trans-63.6106.6157.9-67.3-73.9-178.1168.40107.1Q98 F104 C105 S107 T110 N111 K326 D327 G328Q98-K324 PolarHBondContact OE1-O 2.9Å; F104-K324 PolarHBondContact O-NZ 2.82Å; C105-K324 PolarHBondContact O-NZ 2.92Å; S107-K324 WeakPolarHBondContact O-CE 3.47Å; S107-K324 PolarHBondContact O-NZ 3.49Å; T110-K324 WeakPolarHBondContact O-CE 3.43Å; T110-K324 PolarHBondContact O-NZ 3.19Å; N111-K324 HydrophobicContact CB-CD 4.45Å; K324-K326 PolarHBondContact O-N 2.69Å; K324-D327 PolarHBondContact O-N 3.3Å; K324-G328 PolarHBondContact O-N 3.39Å
325A95.8Very high97.6Very high1 Ų132 Ų321%0.00818%0.182CC..Hα-helixtrans-56-46.2-15300000114.9L94 L96 F320 F323 V329L94-A325 HydrophobicContact CD1-CB 3.9Å; L96-A325 HydrophobicContact CB-CB 4.12Å; L96-A325 WeakPolarHBondContact O-CB 3.46Å; F320-A325 HydrophobicContact CD1-CB 3.86Å; F320-A325 HydrophobicContact CE1-CB 3.71Å; F323-A325 PolarHBondContact O-N 3.46Å; F323-A325 VanDerWaalsContact O-N 3.09Å; A325-V329 WeakPolarHBondContact O-CB 3.13Å; A325-V329 VanDerWaalsContact O-CG2 3.27Å; A325-V329 WeakPolarHBondContact O-CG2 3.41Å; A325-V329 PolarHBondContact O-N 3.25Å; A325-V329 VanDerWaalsContact O-N 3.07Å
326K97.1Very high97.6Very high6 Ų629.9 Ų29.93%0.02618%0.175CC..Hα-helixtrans-64.3-52.8-179.9-68.1-177.264.9149.30111.6E84 L94 Q98 Q156 V159 T160 K324 A330E84-K326 WeakPolarHBondContact OE1-CE 3.5Å; E84-K326 IonicContact OE1-NZ 2.92Å; E84-K326 PolarHBondContact OE1-NZ 3.26Å; E84-K326 IonicContact OE2-NZ 3Å; E84-K326 PolarHBondContact OE2-NZ 2.89Å; L94-K326 HydrophobicContact CD1-CB 4.26Å; L94-K326 HydrophobicContact CD1-CG 3.52Å; Q98-K326 HydrophobicContact CB-CB 4.3Å; Q98-K326 HydrophobicContact CB-CD 4.23Å; Q98-K326 HydrophobicContact CB-CG 3.99Å; Q156-K326 PolarHBondContact O-NZ 3.34Å; V159-K326 WeakPolarHBondContact O-CD 3.29Å; V159-K326 WeakPolarHBondContact O-CE 3.49Å; V159-K326 PolarHBondContact O-NZ 2.89Å; V159-K326 VanDerWaalsContact O-NZ 3.11Å; T160-K326 VanDerWaalsContact OG1-C 3.25Å; T160-K326 WeakPolarHBondContact OG1-CA 3.29Å; T160-K326 WeakPolarHBondContact OG1-CB 3.37Å; T160-K326 PolarHBondContact OG1-O 3.46Å; K324-K326 PolarHBondContact O-N 2.69Å; K326-A330 WeakPolarHBondContact O-CB 3.1Å; K326-A330 PolarHBondContact O-N 3.46Å
327D96.9Very high97.6Very high78 Ų7829.4 Ų29.442%0.41718%0.175SC..Hα-helixtrans-69.4-38.6-174.8-55.9-30.6000111.4Q98 K100 K324 G331Q98-D327 PolarHBondContact NE2-OD2 2.9Å; K100-D327 WeakPolarHBondContact CE-OD1 3.34Å; K100-D327 IonicContact NZ-OD1 2.84Å; K100-D327 PolarHBondContact NZ-OD1 2.89Å; K100-D327 IonicContact NZ-OD2 3.25Å; K324-D327 PolarHBondContact O-N 3.3Å; D327-G331 PolarHBondContact O-N 2.7Å
328G97.5Very high97.6Very high11 Ų1132 Ų3211%0.11317%0.172CC..Hα-helixtrans-64.8-49.2178.800000112.7K324 A330 G331 M332K324-G328 PolarHBondContact O-N 3.39Å; G328-A330 PolarHBondContact O-N 2.84Å; G328-G331 CarbonylContact O-C 3.58Å; G328-G331 WeakPolarHBondContact O-CA 3.25Å; G328-G331 PolarHBondContact O-N 3.32Å; G328-G331 VanDerWaalsContact O-N 3.09Å; G328-M332 WeakPolarHBondContact O-CG 3.34Å; G328-M332 PolarHBondContact O-N 3.42Å
329V98.3Very high97.5Very high0 Ų040.7 Ų40.70%021%0.209CC..Hα-helixtrans-64.2-41.9178.71730000111.3I92 L94 T160 L174 F320 A325 G331 M332 V333I92-V329 HydrophobicContact CB-CG1 4.26Å; I92-V329 HydrophobicContact CD1-CG1 3.73Å; I92-V329 HydrophobicContact CG2-CG1 4.12Å; L94-V329 HydrophobicContact CD2-CB 4.16Å; L94-V329 HydrophobicContact CD2-CG1 4.37Å; L94-V329 HydrophobicContact CD2-CG2 3.66Å; T160-V329 HydrophobicContact CG2-CB 4.01Å; T160-V329 HydrophobicContact CG2-CG1 3.71Å; L174-V329 HydrophobicContact CB-CG1 4.3Å; L174-V329 WeakPolarHBondContact O-CG2 3.33Å; F320-V329 HydrophobicContact CE1-CG2 3.71Å; F320-V329 HydrophobicContact CZ-CG2 3.44Å; F320-V329 VanDerWaalsContact CZ-CG2 3.44Å; A325-V329 WeakPolarHBondContact O-CB 3.13Å; A325-V329 VanDerWaalsContact O-CG2 3.27Å; A325-V329 WeakPolarHBondContact O-CG2 3.41Å; A325-V329 PolarHBondContact O-N 3.25Å; A325-V329 VanDerWaalsContact O-N 3.07Å; V329-G331 VanDerWaalsContact C-N 3.25Å; V329-G331 PolarHBondContact O-N 3.2Å; V329-M332 PolarHBondContact O-N 3.19Å; V329-M332 VanDerWaalsContact O-N 3.14Å; V329-V333 WeakPolarHBondContact O-CG2 3.47Å; V329-V333 PolarHBondContact O-N 3.15Å
330A97.8Very high97.6Very high27 Ų2745.4 Ų45.422%0.22323%0.228CC..Hα-helixtrans-61.7-34.817400000112.2T160 K326 G328 R334T160-A330 HydrophobicContact CG2-CB 4.46Å; K326-A330 WeakPolarHBondContact O-CB 3.1Å; K326-A330 PolarHBondContact O-N 3.46Å; G328-A330 PolarHBondContact O-N 2.84Å; A330-R334 WeakPolarHBondContact O-CG 3.39Å; A330-R334 PolarHBondContact O-N 2.8Å; A330-R334 PolarHBondContact O-NE 3.19Å
331G98.3Very high97.5Very high22 Ų2245.6 Ų45.623%0.22723%0.23CC..Hα-helixtrans-63.8-45.8170.200000113.2D327 G328 V329 R334 A335D327-G331 PolarHBondContact O-N 2.7Å; G328-G331 CarbonylContact O-C 3.58Å; G328-G331 WeakPolarHBondContact O-CA 3.25Å; G328-G331 PolarHBondContact O-N 3.32Å; G328-G331 VanDerWaalsContact O-N 3.09Å; V329-G331 VanDerWaalsContact C-N 3.25Å; V329-G331 PolarHBondContact O-N 3.2Å; G331-R334 WeakPolarHBondContact O-CB 3.39Å; G331-R334 PolarHBondContact O-N 3.34Å; G331-A335 PolarHBondContact O-N 2.87Å
332M98.5Very high97.4Very high9 Ų949.7 Ų49.74%0.04425%0.247CC..Hα-helixtrans-68.3-35-179.1-70.4-63.6-70.200112.8L174 I178 Y182 F323 G328 V329 R334 A335 F336 V341L174-M332 HydrophobicContact CD1-CB 4.04Å; L174-M332 HydrophobicContact CD2-CB 3.92Å; L174-M332 HydrophobicContact CD2-CE 4.33Å; L174-M332 HydrophobicContact CG-CB 4.49Å; I178-M332 HydrophobicContact CG2-CE 4.3Å; Y182-M332 HydrophobicContact CD1-CE 3.8Å; Y182-M332 HydrophobicContact CD1-SD 4.02Å; Y182-M332 HydrophobicContact CE1-CE 4.27Å; Y182-M332 HydrophobicContact CE1-SD 4.14Å; Y182-M332 HydrophobicContact CG-CE 3.98Å; F323-M332 HydrophobicContact CE2-CG 4.43Å; F323-M332 HydrophobicContact CZ-CG 4.08Å; F323-M332 HydrophobicContact CZ-SD 3.96Å; G328-M332 WeakPolarHBondContact O-CG 3.34Å; G328-M332 PolarHBondContact O-N 3.42Å; V329-M332 PolarHBondContact O-N 3.19Å; V329-M332 VanDerWaalsContact O-N 3.14Å; M332-R334 VanDerWaalsContact C-N 3.34Å; M332-R334 PolarHBondContact O-N 3.42Å; M332-A335 PolarHBondContact O-N 3.43Å; M332-F336 WeakPolarHBondContact O-CB 3.45Å; M332-F336 PolarHBondContact O-N 3.23Å; M332-V341 HydrophobicContact CE-CB 4.46Å; M332-V341 HydrophobicContact CE-CG1 3.98Å; M332-V341 HydrophobicContact CE-CG2 3.71Å; M332-V341 HydrophobicContact SD-CG2 4.33Å
333V98.6Very high97.3Very high1 Ų148.3 Ų48.31%0.00623%0.233CC..Hα-helixtrans-60.9-45.11721710000110.6I92 I162 D163 A166 V171 L174 V329 F336 L337I92-V333 HydrophobicContact CD1-CG2 4Å; I162-V333 HydrophobicContact CB-CG1 4.3Å; I162-V333 HydrophobicContact CB-CG2 4.26Å; I162-V333 HydrophobicContact CG2-CG2 3.84Å; D163-V333 HydrophobicContact CB-CG1 4.35Å; A166-V333 HydrophobicContact CB-CG1 3.84Å; V171-V333 HydrophobicContact CB-CG2 4.3Å; V171-V333 HydrophobicContact CG1-CG2 4.43Å; L174-V333 HydrophobicContact CD1-CB 4.27Å; L174-V333 HydrophobicContact CD1-CG2 3.56Å; V329-V333 WeakPolarHBondContact O-CG2 3.47Å; V329-V333 PolarHBondContact O-N 3.15Å; V333-F336 PolarHBondContact O-N 3.39Å; V333-L337 HydrophobicContact CG1-CD1 4.25Å; V333-L337 WeakPolarHBondContact O-CG 3.21Å; V333-L337 PolarHBondContact O-N 3.25Å
334R98.3Very high97.1Very high144 Ų14450.7 Ų50.754%0.54325%0.247SC..Hα-helixtrans-62.2-44.7175.6-70.8-179.4-69.5154.9-2.6111.4A330 G331 M332 F336 L337 E338A330-R334 WeakPolarHBondContact O-CG 3.39Å; A330-R334 PolarHBondContact O-N 2.8Å; A330-R334 PolarHBondContact O-NE 3.19Å; G331-R334 WeakPolarHBondContact O-CB 3.39Å; G331-R334 PolarHBondContact O-N 3.34Å; M332-R334 VanDerWaalsContact C-N 3.34Å; M332-R334 PolarHBondContact O-N 3.42Å; R334-F336 VanDerWaalsContact C-N 3.28Å; R334-F336 PolarHBondContact O-N 3.04Å; R334-L337 PolarHBondContact O-N 3.06Å; R334-E338 WeakPolarHBondContact O-CB 3.31Å; R334-E338 WeakPolarHBondContact O-CG 3.44Å; R334-E338 PolarHBondContact O-N 3.21Å
335A98Very high96.9Very high18 Ų1850.7 Ų50.715%0.14925%0.248CC..Hα-helixtrans-60.3-37.2177.100000112.5G331 M332 E338 K339 K340 V341G331-A335 PolarHBondContact O-N 2.87Å; M332-A335 PolarHBondContact O-N 3.43Å; A335-E338 CarbonylContact O-C 3.56Å; A335-E338 PolarHBondContact O-N 3.03Å; A335-K339 PolarHBondContact O-N 3.01Å; A335-K340 HydrophobicContact CB-CB 4.31Å; A335-K340 WeakPolarHBondContact O-CB 3.36Å; A335-K340 PolarHBondContact O-N 3.11Å; A335-V341 HydrophobicContact CB-CB 4.47Å; A335-V341 HydrophobicContact CB-CG2 3.75Å; A335-V341 PolarHBondContact O-N 3.01Å
336F98.4Very high96.7Very high24 Ų2452 Ų5211%0.10525%0.253CS..Hα-helixtrans-65.3-47.6173169.5-109.6000112.1P167 K170 V171 M332 V333 R334 E338 K339 V341 L343P167-F336 HydrophobicContact CG-CE1 3.65Å; P167-F336 HydrophobicContact CG-CZ 4.2Å; K170-F336 HydrophobicContact CB-CE1 4.44Å; K170-F336 HydrophobicContact CB-CZ 4.17Å; K170-F336 HydrophobicContact CD-CZ 3.78Å; V171-F336 HydrophobicContact CG1-CD1 3.72Å; V171-F336 HydrophobicContact CG1-CE1 4.02Å; M332-F336 WeakPolarHBondContact O-CB 3.45Å; M332-F336 PolarHBondContact O-N 3.23Å; V333-F336 PolarHBondContact O-N 3.39Å; R334-F336 VanDerWaalsContact C-N 3.28Å; R334-F336 PolarHBondContact O-N 3.04Å; F336-E338 PolarHBondContact O-N 3.35Å; F336-K339 WeakPolarHBondContact O-CA 3.38Å; F336-K339 PolarHBondContact O-N 3.23Å; F336-V341 WeakPolarHBondContact CD2-O 3.49Å; F336-L343 HydrophobicContact CB-CD1 4.04Å; F336-L343 HydrophobicContact CD1-CD1 3.9Å; F336-L343 HydrophobicContact CD2-CB 3.93Å; F336-L343 HydrophobicContact CD2-CD1 3.44Å; F336-L343 VanDerWaalsContact CD2-CD1 3.44Å; F336-L343 HydrophobicContact CD2-CG 3.47Å; F336-L343 VanDerWaalsContact CD2-CG 3.47Å; F336-L343 HydrophobicContact CE1-CD1 4.23Å; F336-L343 HydrophobicContact CE2-CB 3.73Å; F336-L343 HydrophobicContact CE2-CD1 3.81Å; F336-L343 HydrophobicContact CE2-CG 3.82Å; F336-L343 HydrophobicContact CG-CD1 3.49Å; F336-L343 VanDerWaalsContact CG-CD1 3.49Å; F336-L343 HydrophobicContact CG-CG 4.02Å; F336-L343 HydrophobicContact CZ-CB 4.45Å; F336-L343 HydrophobicContact CZ-CD1 4.18Å
337L98.1Very high96.6Very high65 Ų6554 Ų5434%0.3426%0.263SS..Hα-helixtrans-61.8-32.4176.9-68.6176.2000112.6D163 V333 R334 K339D163-L337 HydrophobicContact CB-CD1 3.68Å; V333-L337 HydrophobicContact CG1-CD1 4.25Å; V333-L337 WeakPolarHBondContact O-CG 3.21Å; V333-L337 PolarHBondContact O-N 3.25Å; R334-L337 PolarHBondContact O-N 3.06Å; L337-K339 PolarHBondContact O-N 3.33Å
338E97.9Very high96.3Very high111 Ų11153.6 Ų53.652%0.51927%0.267SS..THydrogen-bonded Turntrans-79.73.9172.9-68.4174.1-172.300113.7R334 A335 F336 K340R334-E338 WeakPolarHBondContact O-CB 3.31Å; R334-E338 WeakPolarHBondContact O-CG 3.44Å; R334-E338 PolarHBondContact O-N 3.21Å; A335-E338 CarbonylContact O-C 3.56Å; A335-E338 PolarHBondContact O-N 3.03Å; F336-E338 PolarHBondContact O-N 3.35Å; E338-K340 HydrophobicContact CB-CD 4.28Å; E338-K340 HydrophobicContact CB-CG 4.24Å; E338-K340 PolarHBondContact O-N 2.98Å; E338-K340 VanDerWaalsContact OE2-CE 3.26Å; E338-K340 WeakPolarHBondContact OE2-CE 3.43Å; E338-K340 IonicContact OE2-NZ 2.65Å; E338-K340 PolarHBondContact OE2-NZ 3.08Å
339K96.8Very high96.1Very high191 Ų19157.2 Ų57.283%0.8328%0.281SS*.THydrogen-bonded Turntrans60.322.5-179-52179179.1179.70114.6A335 F336 L337A335-K339 PolarHBondContact O-N 3.01Å; F336-K339 WeakPolarHBondContact O-CA 3.38Å; F336-K339 PolarHBondContact O-N 3.23Å; L337-K339 PolarHBondContact O-N 3.33Å
340K96Very high95.9Very high146 Ų14663.4 Ų63.464%0.63531%0.314SS*.SBendtrans-84.2-22.8174.8-65.8175.1178.21630112.6A335 E338A335-K340 HydrophobicContact CB-CB 4.31Å; A335-K340 WeakPolarHBondContact O-CB 3.36Å; A335-K340 PolarHBondContact O-N 3.11Å; E338-K340 HydrophobicContact CB-CD 4.28Å; E338-K340 HydrophobicContact CB-CG 4.24Å; E338-K340 PolarHBondContact O-N 2.98Å; E338-K340 VanDerWaalsContact OE2-CE 3.26Å; E338-K340 WeakPolarHBondContact OE2-CE 3.43Å; E338-K340 IonicContact OE2-NZ 2.65Å; E338-K340 PolarHBondContact OE2-NZ 3.08Å
341V95.9Very high95.8Very high5 Ų565.4 Ų65.43%0.0332%0.32CS..SBendtrans-121138177173.80000108.4I178 M211 M332 A335 F336 L343I178-V341 HydrophobicContact CG2-CG1 4.32Å; M211-V341 HydrophobicContact CE-CG1 3.84Å; M211-V341 HydrophobicContact SD-CG1 4.35Å; M332-V341 HydrophobicContact CE-CB 4.46Å; M332-V341 HydrophobicContact CE-CG1 3.98Å; M332-V341 HydrophobicContact CE-CG2 3.71Å; M332-V341 HydrophobicContact SD-CG2 4.33Å; A335-V341 HydrophobicContact CB-CB 4.47Å; A335-V341 HydrophobicContact CB-CG2 3.75Å; A335-V341 PolarHBondContact O-N 3.01Å; F336-V341 WeakPolarHBondContact CD2-O 3.49Å; V341-L343 HydrophobicContact CG1-CD2 4.2Å
342K94.4Very high95.8Very high85 Ų8566.7 Ų66.737%0.3733%0.328SS..  trans-97132.3177.8-81.2172.9166.1-119.10109.6M211 L237 E345 F346M211-K342 HydrophobicContact SD-CB 3.92Å; L237-K342 HydrophobicContact CD2-CB 4.39Å; L237-K342 HydrophobicContact CD2-CD 4.06Å; K342-E345 VanDerWaalsContact CB-OE2 3.24Å; K342-E345 WeakPolarHBondContact CB-OE2 3.23Å; K342-E345 WeakPolarHBondContact CD-OE1 3.3Å; K342-E345 VanDerWaalsContact CE-OE1 3.29Å; K342-E345 WeakPolarHBondContact CE-OE1 3.36Å; K342-E345 WeakPolarHBondContact CG-OE1 3.44Å; K342-E345 IonicContact NZ-OE1 3.26Å; K342-E345 PolarHBondContact NZ-OE1 2.65Å; K342-F346 VanDerWaalsContact O-CE2 3.32Å; K342-F346 WeakPolarHBondContact O-CE2 3.31Å
343L96.3Very high95.7Very high0 Ų068.1 Ų68.10%034%0.336CS..  trans-126.6-34.2177.7-64-177.2000112.2K170 V171 L174 I178 F336 V341 E345 F346K170-L343 HydrophobicContact CB-CD1 4.44Å; V171-L343 HydrophobicContact CG1-CD1 4.23Å; L174-L343 HydrophobicContact CD1-CD1 4.22Å; L174-L343 HydrophobicContact CD2-CD1 4.38Å; L174-L343 HydrophobicContact CD2-CD2 3.83Å; L174-L343 HydrophobicContact CG-CD1 4.13Å; L174-L343 HydrophobicContact CG-CD2 4.32Å; I178-L343 HydrophobicContact CB-CD2 4.3Å; I178-L343 HydrophobicContact CD1-CD2 4.4Å; I178-L343 HydrophobicContact CG1-CD2 3.8Å; I178-L343 HydrophobicContact CG2-CD2 3.94Å; F336-L343 HydrophobicContact CB-CD1 4.04Å; F336-L343 HydrophobicContact CD1-CD1 3.9Å; F336-L343 HydrophobicContact CD2-CB 3.93Å; F336-L343 HydrophobicContact CD2-CD1 3.44Å; F336-L343 VanDerWaalsContact CD2-CD1 3.44Å; F336-L343 HydrophobicContact CD2-CG 3.47Å; F336-L343 VanDerWaalsContact CD2-CG 3.47Å; F336-L343 HydrophobicContact CE1-CD1 4.23Å; F336-L343 HydrophobicContact CE2-CB 3.73Å; F336-L343 HydrophobicContact CE2-CD1 3.81Å; F336-L343 HydrophobicContact CE2-CG 3.82Å; F336-L343 HydrophobicContact CG-CD1 3.49Å; F336-L343 VanDerWaalsContact CG-CD1 3.49Å; F336-L343 HydrophobicContact CG-CG 4.02Å; F336-L343 HydrophobicContact CZ-CB 4.45Å; F336-L343 HydrophobicContact CZ-CD1 4.18Å; V341-L343 HydrophobicContact CG1-CD2 4.2Å; L343-E345 PolarHBondContact O-N 2.65Å; L343-F346 WeakPolarHBondContact O-CB 3.47Å; L343-F346 PolarHBondContact O-N 2.99Å
344D94.1Very high95.7Very high77 Ų7771.9 Ų71.941%0.41235%0.353SS..G310 helixtrans-57.8-36.8-179.2-74.4-54.8000112.2K170 F346 I347K170-D344 VanDerWaalsContact CD-OD1 3.29Å; K170-D344 WeakPolarHBondContact CD-OD1 3.33Å; K170-D344 WeakPolarHBondContact CE-OD1 3.41Å; K170-D344 IonicContact NZ-OD1 3.76Å; K170-D344 PolarHBondContact NZ-OD1 3.4Å; K170-D344 IonicContact NZ-OD2 2.86Å; K170-D344 PolarHBondContact NZ-OD2 3.45Å; D344-F346 PolarHBondContact O-N 3.31Å; D344-F346 VanDerWaalsContact O-N 3.14Å; D344-I347 PolarHBondContact O-N 2.95Å
345E91.4Very high95.6Very high44 Ų4468.7 Ų68.721%0.20634%0.344CS..G310 helixtrans-67.7-12.9-179.3-6487.9154.600114.1K233 L237 K342 L343K233-E345 HydrophobicContact CD-CB 4.39Å; L237-E345 HydrophobicContact CD2-CB 4.27Å; K342-E345 VanDerWaalsContact CB-OE2 3.24Å; K342-E345 WeakPolarHBondContact CB-OE2 3.23Å; K342-E345 WeakPolarHBondContact CD-OE1 3.3Å; K342-E345 VanDerWaalsContact CE-OE1 3.29Å; K342-E345 WeakPolarHBondContact CE-OE1 3.36Å; K342-E345 WeakPolarHBondContact CG-OE1 3.44Å; K342-E345 IonicContact NZ-OE1 3.26Å; K342-E345 PolarHBondContact NZ-OE1 2.65Å; L343-E345 PolarHBondContact O-N 2.65Å
346F93.1Very high95.6Very high29 Ų2968.2 Ų68.213%0.12734%0.34CS..G310 helixtrans-97.6-7.6176.2-63.7-97.7000112.5L173 I178 A204 L207 A208 M211 L237 K342 L343 D344L173-F346 HydrophobicContact CD1-CB 3.9Å; I178-F346 HydrophobicContact CD1-CB 4.19Å; I178-F346 HydrophobicContact CD1-CD1 3.36Å; I178-F346 HydrophobicContact CD1-CD2 3.71Å; I178-F346 HydrophobicContact CD1-CE1 3.47Å; I178-F346 VanDerWaalsContact CD1-CE1 3.47Å; I178-F346 HydrophobicContact CD1-CE2 3.83Å; I178-F346 HydrophobicContact CD1-CG 3.48Å; I178-F346 VanDerWaalsContact CD1-CG 3.48Å; I178-F346 HydrophobicContact CD1-CZ 3.71Å; A204-F346 HydrophobicContact CB-CD1 4.34Å; A204-F346 WeakPolarHBondContact O-CE1 3.27Å; L207-F346 HydrophobicContact CB-CD1 4.4Å; L207-F346 HydrophobicContact CB-CE1 3.58Å; L207-F346 HydrophobicContact CB-CZ 4.21Å; A208-F346 HydrophobicContact CB-CE1 4.13Å; A208-F346 HydrophobicContact CB-CZ 4.22Å; M211-F346 HydrophobicContact CE-CE2 4.13Å; M211-F346 HydrophobicContact CE-CZ 4.15Å; M211-F346 HydrophobicContact SD-CE2 4.47Å; L237-F346 HydrophobicContact CD1-CE1 4.16Å; L237-F346 HydrophobicContact CD1-CE2 4.09Å; L237-F346 HydrophobicContact CD1-CZ 3.67Å; L237-F346 HydrophobicContact CD2-CE2 4.1Å; L237-F346 HydrophobicContact CD2-CZ 4.35Å; K342-F346 VanDerWaalsContact O-CE2 3.32Å; K342-F346 WeakPolarHBondContact O-CE2 3.31Å; L343-F346 WeakPolarHBondContact O-CB 3.47Å; L343-F346 PolarHBondContact O-N 2.99Å; D344-F346 PolarHBondContact O-N 3.31Å; D344-F346 VanDerWaalsContact O-N 3.14Å
347I93.7Very high95.5Very high46 Ų4669.4 Ų69.424%0.23635%0.347CS..  trans-102.9121.3178.4-53.8169.5000108.4K170 L173 D344K170-I347 HydrophobicContact CB-CD1 4.22Å; K170-I347 HydrophobicContact CG-CD1 3.99Å; L173-I347 HydrophobicContact CD1-CD1 4.23Å; L173-I347 HydrophobicContact CD1-CG1 3.72Å; D344-I347 PolarHBondContact O-N 2.95Å
348S90.3Very high95.4Very high70 Ų7070 Ų7049%0.4935%0.35SS..  trans-120.6-34.5-171.742.60000112T374S348-T374 WeakPolarHBondContact CB-O 2.99Å; S348-T374 WeakPolarHBondContact CB-OXT 3.4Å; S348-T374 PolarHBondContact OG-O 3.07Å; S348-T374 PolarHBondContact OG-OXT 3.45Å
349H93.1Very high95.3Very high87 Ų8765.5 Ų65.540%0.40333%0.333SS..  trans-134.1147175.6-63.285.6000110.2M351 T374H349-M351 HydrophobicContact CB-CG 4.32Å; H349-T374 PolarHBondContact CE1-OXT 3.36Å; H349-T374 VanDerWaalsContact CE1-OXT 3.32Å; H349-T374 VanDerWaalsContact ND1-C 3.33Å; H349-T374 PolarHBondContact ND1-OXT 3.42Å
350N94.6Very high95.1Very high130 Ų13057.1 Ų57.170%0.69530%0.296SS*.  trans-121125.1167.3-73.4-83.6000107.3
351M96.6Very high95Very high70 Ų7055.6 Ų55.635%0.34529%0.292SS..  trans-135.8152-173.3-54.9-177.48500109.6H349 Q355 D358 A359 L362H349-M351 HydrophobicContact CB-CG 4.32Å; M351-Q355 HydrophobicContact CB-CB 4.2Å; M351-Q355 HydrophobicContact CE-CB 3.96Å; M351-D358 HydrophobicContact CE-CB 3.55Å; M351-A359 HydrophobicContact SD-CB 3.89Å; M351-L362 HydrophobicContact CE-CD1 4.24Å; M351-L362 HydrophobicContact SD-CD1 3.82Å
352A97.3Very high94.7Very high48 Ų4857.8 Ų57.840%0.39730%0.303SS..  trans-77.3158.9174.700000110.7E354 Q355A352-E354 WeakPolarHBondContact CB-OE2 3.29Å; A352-E354 PolarHBondContact O-N 3.07Å; A352-E354 VanDerWaalsContact O-N 3.12Å; A352-Q355 VanDerWaalsContact N-OE1 3.15Å; A352-Q355 WeakPolarHBondContact O-CB 3.29Å; A352-Q355 PolarHBondContact O-N 3.19Å
353L97.3Very high94.4Very high40 Ų4056 Ų5621%0.20930%0.296CS..G310 helixtrans-56.7-31.7-177.7177.162.8000112.3A13 I24 F148 E150 Q355 V356A13-L353 HydrophobicContact CB-CD1 4.4Å; I24-L353 HydrophobicContact CD1-CG 4.4Å; I24-L353 WeakPolarHBondContact CD1-O 3.31Å; F148-L353 HydrophobicContact CB-CD1 4.37Å; E150-L353 HydrophobicContact CG-CD2 4.36Å; L353-Q355 PolarHBondContact O-N 3.19Å; L353-V356 WeakPolarHBondContact O-CB 3.2Å; L353-V356 PolarHBondContact O-N 2.94Å; L353-V356 VanDerWaalsContact O-N 3.16Å
354E97.3Very high93.9Very high79 Ų7962.2 Ų62.237%0.36932%0.32SS..G310 helixtrans-62.8-22.3178.8-58.175.1-16700112.7R11 A352R11-E354 IonicContact CZ-OE1 2.63Å; R11-E354 IonicContact NH1-OE1 2.75Å; R11-E354 PolarHBondContact NH1-OE1 2.9Å; R11-E354 IonicContact NH2-OE1 3.01Å; R11-E354 PolarHBondContact NH2-OE1 3.43Å; A352-E354 WeakPolarHBondContact CB-OE2 3.29Å; A352-E354 PolarHBondContact O-N 3.07Å; A352-E354 VanDerWaalsContact O-N 3.12Å
355Q97.6Very high93.3Very high78 Ų7862.2 Ų62.236%0.36432%0.32SS..G310 helixtrans-98.118.7-178.7-51.6179-93.600112.2M351 A352 L353 N357 D358 A359M351-Q355 HydrophobicContact CB-CB 4.2Å; M351-Q355 HydrophobicContact CE-CB 3.96Å; A352-Q355 VanDerWaalsContact N-OE1 3.15Å; A352-Q355 WeakPolarHBondContact O-CB 3.29Å; A352-Q355 PolarHBondContact O-N 3.19Å; L353-Q355 PolarHBondContact O-N 3.19Å; Q355-N357 PolarHBondContact O-N 3.4Å; Q355-D358 HydrophobicContact CB-CB 4.37Å; Q355-D358 WeakPolarHBondContact O-CB 3.48Å; Q355-D358 PolarHBondContact O-N 3.46Å; Q355-A359 PolarHBondContact O-N 2.74Å
356V96.7Very high92.3Very high8 Ų861.4 Ų61.45%0.04832%0.319CS..Hα-helixtrans-54.9-36.3-179.466.50000113A13 A22 I24 F148 L353 A359 I360A13-V356 HydrophobicContact CB-CB 4.35Å; A13-V356 HydrophobicContact CB-CG1 3.74Å; A13-V356 HydrophobicContact CB-CG2 4.28Å; A22-V356 HydrophobicContact CB-CG1 4.25Å; I24-V356 HydrophobicContact CD1-CG1 4.17Å; F148-V356 HydrophobicContact CD2-CG2 3.81Å; F148-V356 HydrophobicContact CE2-CG2 3.93Å; F148-V356 HydrophobicContact CG-CG2 4.35Å; L353-V356 WeakPolarHBondContact O-CB 3.2Å; L353-V356 PolarHBondContact O-N 2.94Å; L353-V356 VanDerWaalsContact O-N 3.16Å; V356-A359 PolarHBondContact O-N 3.23Å; V356-I360 HydrophobicContact CG2-CD1 4.13Å; V356-I360 VanDerWaalsContact O-CG1 3.29Å; V356-I360 WeakPolarHBondContact O-CG1 3.33Å; V356-I360 PolarHBondContact O-N 3.09Å
357N96.9Very high90.6Very high48 Ų4864 Ų6426%0.25733%0.332SS..Hα-helixtrans-69.5-38.8177.9-67.5-50.2000111.6A22 Q355 A359 I360 E361A22-N357 PolarHBondContact N-OD1 3.28Å; A22-N357 PolarHBondContact O-ND2 2.97Å; Q355-N357 PolarHBondContact O-N 3.4Å; N357-A359 VanDerWaalsContact C-N 3.3Å; N357-A359 PolarHBondContact O-N 2.97Å; N357-I360 PolarHBondContact O-N 2.87Å; N357-E361 WeakPolarHBondContact O-CB 3.23Å; N357-E361 PolarHBondContact O-N 2.89Å
358D96.6Very high87.8Confident77 Ų7766.8 Ų66.841%0.41235%0.354SS..Hα-helixtrans-61.6-42.2173.9-54.3-17.5000110M351 Q355 E361 L362M351-D358 HydrophobicContact CE-CB 3.55Å; Q355-D358 HydrophobicContact CB-CB 4.37Å; Q355-D358 WeakPolarHBondContact O-CB 3.48Å; Q355-D358 PolarHBondContact O-N 3.46Å; D358-E361 PolarHBondContact O-N 3.39Å; D358-L362 WeakPolarHBondContact O-CB 3.39Å; D358-L362 VanDerWaalsContact O-CG 3.29Å; D358-L362 WeakPolarHBondContact O-CG 3.49Å; D358-L362 PolarHBondContact O-N 3.18Å
359A94.9Very high84.7Confident18 Ų1865.5 Ų65.515%0.14935%0.348CS..Hα-helixtrans-64.5-40.7176.500000112.6V46 M351 Q355 V356 N357 M363V46-A359 HydrophobicContact CG2-CB 3.78Å; M351-A359 HydrophobicContact SD-CB 3.89Å; Q355-A359 PolarHBondContact O-N 2.74Å; V356-A359 PolarHBondContact O-N 3.23Å; N357-A359 VanDerWaalsContact C-N 3.3Å; N357-A359 PolarHBondContact O-N 2.97Å; A359-M363 PolarHBondContact O-N 3.26Å; A359-M363 VanDerWaalsContact O-N 3.07Å
360I93.4Very high81.6Confident14 Ų1465.7 Ų65.77%0.07236%0.357CS..Hα-helixtrans-63.1-43.4173.6-72.2166.3000110.6V46 L51 L54 V356 N357 M363 R364V46-I360 HydrophobicContact CG1-CG1 4.14Å; L51-I360 HydrophobicContact CD1-CB 4.4Å; L51-I360 HydrophobicContact CD1-CG1 4.15Å; L51-I360 HydrophobicContact CD1-CG2 4.02Å; L51-I360 HydrophobicContact CG-CG2 4.07Å; L54-I360 HydrophobicContact CD2-CD1 4.15Å; V356-I360 HydrophobicContact CG2-CD1 4.13Å; V356-I360 VanDerWaalsContact O-CG1 3.29Å; V356-I360 WeakPolarHBondContact O-CG1 3.33Å; V356-I360 PolarHBondContact O-N 3.09Å; N357-I360 PolarHBondContact O-N 2.87Å; I360-M363 PolarHBondContact O-N 2.98Å; I360-R364 WeakPolarHBondContact O-CB 3.45Å; I360-R364 PolarHBondContact O-N 3.45Å
361E92.9Very high78.3Confident114 Ų11463 Ų6353%0.53335%0.348SS..Hα-helixtrans-66.5-42179.1-175.8170.2-171.900112N357 D358 M363 R364 N365N357-E361 WeakPolarHBondContact O-CB 3.23Å; N357-E361 PolarHBondContact O-N 2.89Å; D358-E361 PolarHBondContact O-N 3.39Å; E361-M363 VanDerWaalsContact C-N 3.32Å; E361-M363 PolarHBondContact O-N 3.17Å; E361-R364 PolarHBondContact O-N 3.25Å; E361-N365 WeakPolarHBondContact O-CB 3.47Å; E361-N365 VanDerWaalsContact O-CG 3.31Å; E361-N365 PolarHBondContact O-N 3.02Å; E361-N365 PolarHBondContact O-ND2 2.91Å
362L91.3Very high74.9Confident52 Ų5264.1 Ų64.127%0.27237%0.368SS..Hα-helixtrans-56.3-46.9171.9-75170.6000111M351 D358 R364 N365 S366 T374M351-L362 HydrophobicContact CE-CD1 4.24Å; M351-L362 HydrophobicContact SD-CD1 3.82Å; D358-L362 WeakPolarHBondContact O-CB 3.39Å; D358-L362 VanDerWaalsContact O-CG 3.29Å; D358-L362 WeakPolarHBondContact O-CG 3.49Å; D358-L362 PolarHBondContact O-N 3.18Å; L362-R364 PolarHBondContact O-N 2.99Å; L362-N365 PolarHBondContact O-N 3.39Å; L362-S366 PolarHBondContact O-N 2.92Å; L362-S366 PolarHBondContact O-OG 3.05Å; L362-T374 WeakPolarHBondContact O-CG2 3.41Å
363M87.1Confident71.8Confident46 Ų4664.5 Ų64.523%0.22738%0.377CS..Hα-helixtrans-64.9-37.8177.8-176.8167.1-69.300112.9V46 H48 L51 A359 I360 E361 S366 Q367V46-M363 HydrophobicContact CB-CE 4.14Å; V46-M363 HydrophobicContact CG1-CE 4.04Å; V46-M363 HydrophobicContact CG1-SD 3.95Å; V46-M363 WeakPolarHBondContact O-CE 3.29Å; H48-M363 HydrophobicContact CB-SD 4.47Å; H48-M363 PolarHBondContact N-SD 2.8Å; H48-M363 VanDerWaalsContact N-SD 3.38Å; L51-M363 HydrophobicContact CD1-CG 4.43Å; L51-M363 HydrophobicContact CD1-SD 3.96Å; L51-M363 HydrophobicContact CD2-CB 4Å; L51-M363 HydrophobicContact CD2-CG 3.77Å; L51-M363 HydrophobicContact CD2-SD 4.2Å; A359-M363 PolarHBondContact O-N 3.26Å; A359-M363 VanDerWaalsContact O-N 3.07Å; I360-M363 PolarHBondContact O-N 2.98Å; E361-M363 VanDerWaalsContact C-N 3.32Å; E361-M363 PolarHBondContact O-N 3.17Å; M363-S366 VanDerWaalsContact CA-OG 3.27Å; M363-S366 WeakPolarHBondContact CA-OG 3.46Å; M363-S366 PolarHBondContact O-OG 3.04Å; M363-Q367 WeakPolarHBondContact O-CG 3.38Å; M363-Q367 PolarHBondContact O-N 3.14Å; M363-Q367 PolarHBondContact O-NE2 3.15Å
364R85.4Confident68.7Low131 Ų13165.3 Ų65.349%0.49438%0.384SS..Hα-helixtrans-65.3-44.2175.8-174.4-179.2178.1178.41.7111.2L51 I360 E361 L362 Q367 C368L51-R364 HydrophobicContact CD2-CB 4.22Å; I360-R364 WeakPolarHBondContact O-CB 3.45Å; I360-R364 PolarHBondContact O-N 3.45Å; E361-R364 PolarHBondContact O-N 3.25Å; L362-R364 PolarHBondContact O-N 2.99Å; R364-Q367 WeakPolarHBondContact O-CB 3.39Å; R364-Q367 PolarHBondContact O-N 3.4Å; R364-C368 PolarHBondContact O-N 2.93Å
365N81.6Confident67.3Low78 Ų7864.7 Ų64.742%0.41738%0.384SS..Hα-helixtrans-71-32.8-178.3-69.7-21.2000112.3E361 L362 Q367 C368 A369E361-N365 WeakPolarHBondContact O-CB 3.47Å; E361-N365 VanDerWaalsContact O-CG 3.31Å; E361-N365 PolarHBondContact O-N 3.02Å; E361-N365 PolarHBondContact O-ND2 2.91Å; L362-N365 PolarHBondContact O-N 3.39Å; N365-Q367 PolarHBondContact O-N 2.97Å; N365-C368 PolarHBondContact O-N 3.44Å; N365-C368 VanDerWaalsContact O-N 3.09Å; N365-A369 VanDerWaalsContact O-CB 3.29Å; N365-A369 WeakPolarHBondContact O-CB 3.48Å; N365-A369 PolarHBondContact O-N 3.39Å
366S70.1Confident65.7Low26 Ų2663.9 Ų63.918%0.18239%0.386CS..Hα-helixtrans-65.8-22.2172.526.10000114.4L362 M363 T374L362-S366 PolarHBondContact O-N 2.92Å; L362-S366 PolarHBondContact O-OG 3.05Å; M363-S366 VanDerWaalsContact CA-OG 3.27Å; M363-S366 WeakPolarHBondContact CA-OG 3.46Å; M363-S366 PolarHBondContact O-OG 3.04Å; S366-T374 WeakPolarHBondContact CB-OG1 3.44Å; S366-T374 VanDerWaalsContact OG-CG2 3.3Å; S366-T374 WeakPolarHBondContact OG-CG2 3.36Å
367Q57.2Low64Low84 Ų8467.1 Ų67.139%0.39340%0.404SS..Hα-helixtrans-80.2-27.5172.4-66.6168.337.800111.9H48 M363 R364 N365H48-Q367 PolarHBondContact CE1-OE1 3.46Å; H48-Q367 VanDerWaalsContact ND1-CD 3.29Å; H48-Q367 PolarHBondContact ND1-NE2 2.89Å; H48-Q367 PolarHBondContact ND1-OE1 3.27Å; M363-Q367 WeakPolarHBondContact O-CG 3.38Å; M363-Q367 PolarHBondContact O-N 3.14Å; M363-Q367 PolarHBondContact O-NE2 3.15Å; R364-Q367 WeakPolarHBondContact O-CB 3.39Å; R364-Q367 PolarHBondContact O-N 3.4Å; N365-Q367 PolarHBondContact O-N 2.97Å
368C35.1Very low62Low104 Ų10468.2 Ų68.270%0.70341%0.413SS*.Hα-helixtrans-102.5-17.8-173.5-65.10000115.1R364 N365R364-C368 PolarHBondContact O-N 2.93Å; N365-C368 PolarHBondContact O-N 3.44Å; N365-C368 VanDerWaalsContact O-N 3.09Å
369A26.6Very low59.9Low44 Ų4467.6 Ų67.636%0.36441%0.413SS..  trans-116.5141.5-169.900000114.6N227 N365N227-A369 PolarHBondContact ND2-O 3.37Å; N365-A369 VanDerWaalsContact O-CB 3.29Å; N365-A369 WeakPolarHBondContact O-CB 3.48Å; N365-A369 PolarHBondContact O-N 3.39Å
370P27.2Very low57.5Low91 Ų9170.9 Ų70.959%0.59143%0.431SS*.SBendtrans-73133157.231.7-27.4000108.6
371S25.7Very low55Low74 Ų7475 Ų7552%0.51746%0.456SS..SBendtrans80.3139.4166.477.60000120.9D229D229-S371 WeakPolarHBondContact OD1-CB 3.47Å; D229-S371 WeakPolarHBondContact OD2-CA 3.41Å; D229-S371 VanDerWaalsContact OD2-CB 3.27Å; D229-S371 WeakPolarHBondContact OD2-CB 3.47Å; D229-S371 PolarHBondContact OD2-N 3.28Å
372A24.5Very low52Low93 Ų9372 Ų7277%0.76945%0.45SS*.SBendtrans67.8101.5159.400000118.4
373G32Very low48.8Very low56 Ų5673.7 Ų73.758%0.57747%0.465SS*.  trans8189.6146.500000114.8
374T33Very low45.3Very low57 Ų5776.2 Ų76.235%0.3549%0.487SS..  trans-139.30161.555.30000111.2S348 H349 L362 S366S348-T374 WeakPolarHBondContact CB-O 2.99Å; S348-T374 WeakPolarHBondContact CB-OXT 3.4Å; S348-T374 PolarHBondContact OG-O 3.07Å; S348-T374 PolarHBondContact OG-OXT 3.45Å; H349-T374 PolarHBondContact CE1-OXT 3.36Å; H349-T374 VanDerWaalsContact CE1-OXT 3.32Å; H349-T374 VanDerWaalsContact ND1-C 3.33Å; H349-T374 PolarHBondContact ND1-OXT 3.42Å; L362-T374 WeakPolarHBondContact O-CG2 3.41Å; S366-T374 WeakPolarHBondContact CB-OG1 3.44Å; S366-T374 VanDerWaalsContact OG-CG2 3.3Å; S366-T374 WeakPolarHBondContact OG-CG2 3.36Å

Retrieved 374 of 374 residues in 600 ms (Link to these results)

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