A0A3Q0KJU1_SCHMA Loading...

Upf3 regulator of nonsense transcripts-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KJU1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 560 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
1M37.9Very low74.5Confident235 Ų23580.5 Ų80.5100%1.15843%0.426SS*.  096.30-83.7176.7170.200108R3M1-R3 PolarHBondContact O-N 3.45Å; M1-R3 VanDerWaalsContact O-N 3.09Å
2V45.9Very low76.2Confident146 Ų14681.7 Ų81.789%0.88542%0.421SS*.  trans-64.4109.5162.8-179.70000104.2G4V2-G4 PolarHBondContact O-N 2.92Å
3R53.5Low77.5Confident231 Ų23176.7 Ų76.787%0.87240%0.402SS*.  trans-64.5107.6170.2-73.3-174.8166.7101-0.8104.8M1 L5M1-R3 PolarHBondContact O-N 3.45Å; M1-R3 VanDerWaalsContact O-N 3.09Å; R3-L5 PolarHBondContact O-N 3.23Å
4G60.6Low78.7Confident47 Ų4771.2 Ų71.249%0.48537%0.373SS..  trans-49.5129.9172.200000108.2V2 S6V2-G4 PolarHBondContact O-N 2.92Å; G4-S6 PolarHBondContact O-N 3.42Å
5L69.2Low79.7Confident136 Ų13666.5 Ų66.571%0.71235%0.348SS*.  trans-72.896.9179.7-65.3172.8000107.1R3 A7 M60R3-L5 PolarHBondContact O-N 3.23Å; L5-A7 PolarHBondContact O-N 3.11Å; L5-M60 HydrophobicContact CB-CG 4.38Å
6S83.2Confident80.5Confident59 Ų5965 Ų6541%0.41334%0.344SS..  trans-68.4124.5176.162.80000109.5G4 F57G4-S6 PolarHBondContact O-N 3.42Å; S6-F57 VanDerWaalsContact CA-O 3.25Å; S6-F57 WeakPolarHBondContact CA-O 3.26Å
7A90Very high81.1Confident7 Ų767.8 Ų67.86%0.05835%0.353CS..EExtended strand (participates in β ladder)trans-117131.1178.300000110.7L5 T56 F57 M60 L63 F89L5-A7 PolarHBondContact O-N 3.11Å; A7-T56 WeakPolarHBondContact O-CA 3.29Å; A7-F57 PolarHBondContact N-O 2.83Å; A7-F57 PolarHBondContact O-N 3.02Å; A7-M60 HydrophobicContact CB-CE 3.26Å; A7-M60 HydrophobicContact CB-SD 3.88Å; A7-L63 HydrophobicContact CB-CD2 4.12Å; A7-F89 HydrophobicContact CB-CE1 4.07Å
8K93.3Very high81.8Confident21 Ų2164.4 Ų64.49%0.09134%0.335CS..EExtended strand (participates in β ladder)trans-92.9131.2175.6-170.7175.7167.3-165.80110.5I55 T56 A90 C92 Q93K8-I55 CarbonylContact C-O 3.54Å; K8-I55 WeakPolarHBondContact CA-O 3.47Å; K8-T56 WeakPolarHBondContact CG-OG1 3.48Å; K8-A90 HydrophobicContact CB-CB 4.19Å; K8-A90 HydrophobicContact CD-CB 4.15Å; K8-A90 HydrophobicContact CG-CB 3.77Å; K8-A90 PolarHBondContact O-N 3.45Å; K8-C92 WeakPolarHBondContact CD-O 3.48Å; K8-C92 PolarHBondContact NZ-O 3.26Å; K8-Q93 VanDerWaalsContact CA-OE1 3.31Å; K8-Q93 PolarHBondContact O-NE2 2.82Å; K8-Q93 PolarHBondContact O-OE1 2.95Å
9V94.7Very high82.4Confident3 Ų362.3 Ų62.32%0.01833%0.33CS..EExtended strand (participates in β ladder)trans-126149.1-177.81670000109Y54 I55 F57 L63 V87 E88 F89V9-Y54 WeakPolarHBondContact O-CA 3.27Å; V9-I55 PolarHBondContact N-O 3.23Å; V9-I55 PolarHBondContact O-N 3.46Å; V9-F57 HydrophobicContact CB-CE2 4.33Å; V9-L63 HydrophobicContact CB-CD1 3.91Å; V9-L63 HydrophobicContact CG1-CD1 4.03Å; V9-L63 HydrophobicContact CG2-CD1 3.24Å; V9-L63 HydrophobicContact CG2-CD2 3.56Å; V9-L63 HydrophobicContact CG2-CG 4.04Å; V9-V87 HydrophobicContact CG1-CG1 3.5Å; V9-V87 VanDerWaalsContact CG1-CG1 3.5Å; V9-E88 WeakPolarHBondContact CA-O 3.38Å; V9-E88 WeakPolarHBondContact CG1-O 3.35Å; V9-F89 HydrophobicContact CG2-CD1 3.93Å; V9-F89 HydrophobicContact CG2-CE1 4.26Å
10V95.5Very high82.9Confident0 Ų060.7 Ų60.70%033%0.326CS..EExtended strand (participates in β ladder)trans-118.7130174.262.60000108.8R12 R52 V53 Y54 E88 A90V10-R12 HydrophobicContact CG1-CG 4.22Å; V10-R12 HydrophobicContact CG2-CG 3.9Å; V10-R52 HydrophobicContact CG2-CB 4.34Å; V10-V53 CarbonylContact C-O 3.52Å; V10-V53 VanDerWaalsContact CA-O 3.25Å; V10-V53 WeakPolarHBondContact CA-O 3.48Å; V10-Y54 HydrophobicContact CB-CD1 3.84Å; V10-Y54 HydrophobicContact CB-CE1 3.81Å; V10-Y54 HydrophobicContact CG2-CD1 3.87Å; V10-Y54 HydrophobicContact CG2-CE1 3.59Å; V10-Y54 HydrophobicContact CG2-CE2 4.5Å; V10-Y54 HydrophobicContact CG2-CG 4.45Å; V10-E88 HydrophobicContact CG1-CG 3.55Å; V10-E88 PolarHBondContact N-O 3.13Å; V10-E88 PolarHBondContact O-N 3.26Å; V10-A90 HydrophobicContact CB-CB 4.48Å
11V95.7Very high83.4Confident0 Ų063.6 Ų63.60%034%0.342CS..EExtended strand (participates in β ladder)trans-94.7113.5167.5-171.20000106.8L14 F23 R52 V53 F66 A85 L86 V87V11-L14 HydrophobicContact CB-CD1 4.48Å; V11-L14 HydrophobicContact CG1-CD1 4.24Å; V11-L14 HydrophobicContact CG1-CD2 3.97Å; V11-L14 HydrophobicContact CG1-CG 4.15Å; V11-F23 HydrophobicContact CB-CZ 4.48Å; V11-F23 HydrophobicContact CG1-CE2 4.22Å; V11-F23 HydrophobicContact CG2-CZ 4.17Å; V11-R52 CarbonylContact O-C 3.56Å; V11-R52 VanDerWaalsContact O-CA 3.26Å; V11-R52 WeakPolarHBondContact O-CA 3.35Å; V11-V53 HydrophobicContact CB-CB 4.38Å; V11-V53 PolarHBondContact N-O 3.41Å; V11-V53 PolarHBondContact O-N 2.93Å; V11-F66 HydrophobicContact CG2-CE1 3.86Å; V11-F66 HydrophobicContact CG2-CZ 3.87Å; V11-A85 HydrophobicContact CG1-CB 3.89Å; V11-L86 WeakPolarHBondContact CA-O 3.29Å; V11-V87 HydrophobicContact CG1-CG2 4.32Å; V11-V87 HydrophobicContact CG2-CG2 4.28Å
12R95.1Very high86.1Confident95 Ų9555.3 Ų55.336%0.35830%0.302SS..EExtended strand (participates in β ladder)trans-106.4167.2178.2-67.8-174165.81607.3110.1V10 A85 L86 E88V10-R12 HydrophobicContact CG1-CG 4.22Å; V10-R12 HydrophobicContact CG2-CG 3.9Å; R12-A85 CarbonylContact O-C 3.44Å; R12-A85 VanDerWaalsContact O-CA 3.26Å; R12-A85 WeakPolarHBondContact O-CA 3.43Å; R12-L86 HydrophobicContact CB-CB 4.4Å; R12-L86 PolarHBondContact N-O 2.91Å; R12-L86 PolarHBondContact O-N 3.38Å; R12-E88 WeakPolarHBondContact CD-OE1 3.26Å; R12-E88 IonicContact CZ-OE1 2.95Å; R12-E88 IonicContact NE-OE1 3.3Å; R12-E88 PolarHBondContact NE-OE1 2.63Å; R12-E88 IonicContact NH1-OE1 2.78Å; R12-E88 PolarHBondContact NH1-OE1 3.2Å; R12-E88 IonicContact NH1-OE2 3.71Å; R12-E88 IonicContact NH2-OE1 3.46Å; R12-E88 PolarHBondContact NH2-OE1 3.29Å
13G93.1Very high88.4Confident17 Ų1748.4 Ų48.418%0.17526%0.26CS..EExtended strand (participates in β ladder)trans76.424.7176.600000113.6S83G13-S83 WeakPolarHBondContact O-CB 3.49Å
14L94.8Very high90.4Very high0 Ų039.8 Ų39.80%023%0.231CC..EExtended strand (participates in β ladder)trans-82.9145.8176.2-61.9172.6000110.5V11 L18 F23 T51 V53 F75 A85V11-L14 HydrophobicContact CB-CD1 4.48Å; V11-L14 HydrophobicContact CG1-CD1 4.24Å; V11-L14 HydrophobicContact CG1-CD2 3.97Å; V11-L14 HydrophobicContact CG1-CG 4.15Å; L14-L18 HydrophobicContact CB-CD2 4.1Å; L14-L18 HydrophobicContact CD1-CD2 4.38Å; L14-L18 HydrophobicContact CD2-CD2 4.02Å; L14-L18 HydrophobicContact CG-CD2 4.4Å; L14-F23 HydrophobicContact CD1-CD2 3.92Å; L14-F23 HydrophobicContact CD1-CE2 3.94Å; L14-F23 HydrophobicContact CD2-CD2 4.08Å; L14-F23 HydrophobicContact CD2-CE2 4.02Å; L14-T51 HydrophobicContact CB-CG2 3.95Å; L14-T51 WeakPolarHBondContact CB-O 3.33Å; L14-T51 HydrophobicContact CD1-CG2 4.17Å; L14-T51 PolarHBondContact N-O 3.28Å; L14-T51 PolarHBondContact O-N 2.95Å; L14-T51 VanDerWaalsContact O-N 3.15Å; L14-V53 HydrophobicContact CD1-CB 4.26Å; L14-V53 HydrophobicContact CD1-CG2 3.53Å; L14-F75 HydrophobicContact CD2-CB 4.28Å; L14-F75 HydrophobicContact CD2-CD1 4.08Å; L14-F75 HydrophobicContact CD2-CD2 3.48Å; L14-F75 VanDerWaalsContact CD2-CD2 3.48Å; L14-F75 HydrophobicContact CD2-CE1 4.31Å; L14-F75 HydrophobicContact CD2-CE2 3.75Å; L14-F75 HydrophobicContact CD2-CG 3.67Å; L14-F75 HydrophobicContact CD2-CZ 4.16Å; L14-A85 HydrophobicContact CD2-CB 4.21Å
15P93.5Very high91.9Very high0 Ų046.2 Ų46.20%024%0.24CC..  trans-54.7147.1176.8-25.432.2000113.2K17 L18 T51 F75 D77 N81P15-K17 PolarHBondContact O-N 2.86Å; P15-L18 HydrophobicContact CB-CB 4.23Å; P15-L18 WeakPolarHBondContact O-CB 3.27Å; P15-L18 PolarHBondContact O-N 2.95Å; P15-T51 VanDerWaalsContact O-CB 3.24Å; P15-T51 WeakPolarHBondContact O-CB 3.37Å; P15-T51 PolarHBondContact O-OG1 3.24Å; P15-F75 HydrophobicContact CG-CB 3.97Å; P15-F75 WeakPolarHBondContact CG-O 3.46Å; P15-D77 HydrophobicContact CB-CB 3.76Å; P15-D77 HydrophobicContact CG-CB 4.46Å; P15-N81 HydrophobicContact CB-CB 4.41Å
16P91.9Very high93.1Very high43 Ų4342.5 Ų42.528%0.27922%0.221SC..THydrogen-bonded Turntrans-69.4-26.4-169.826.2-35.1000114.9A41 T51P16-A41 HydrophobicContact CB-CB 3.89Å; P16-A41 WeakPolarHBondContact O-CB 3.38Å; P16-T51 PolarHBondContact O-OG1 3.44Å
17K91.1Very high93.5Very high113 Ų11339.9 Ų39.949%0.49120%0.202SC..THydrogen-bonded Turntrans-104.25.8176-45-65.3-167.9179.90113.1P15 G19 D77 E79P15-K17 PolarHBondContact O-N 2.86Å; K17-G19 PolarHBondContact O-N 2.8Å; K17-D77 WeakPolarHBondContact CA-OD2 3.16Å; K17-D77 VanDerWaalsContact CB-CG 3.49Å; K17-D77 WeakPolarHBondContact CB-OD1 3.43Å; K17-D77 WeakPolarHBondContact CB-OD2 2.94Å; K17-D77 PolarHBondContact N-OD2 3.07Å; K17-D77 VanDerWaalsContact O-OD1 3.1Å; K17-E79 HydrophobicContact CG-CG 4.44Å
18L93.4Very high93.5Very high7 Ų744 Ų444%0.03722%0.223CC..  trans-57.1130.9173.8-173.468.3000108.9L14 P15 D22 F23 F38 F75 D77L14-L18 HydrophobicContact CB-CD2 4.1Å; L14-L18 HydrophobicContact CD1-CD2 4.38Å; L14-L18 HydrophobicContact CD2-CD2 4.02Å; L14-L18 HydrophobicContact CG-CD2 4.4Å; P15-L18 HydrophobicContact CB-CB 4.23Å; P15-L18 WeakPolarHBondContact O-CB 3.27Å; P15-L18 PolarHBondContact O-N 2.95Å; L18-D22 HydrophobicContact CD1-CB 3.94Å; L18-F23 HydrophobicContact CD2-CB 4.12Å; L18-F23 HydrophobicContact CD2-CD2 4.14Å; L18-F38 WeakPolarHBondContact O-CZ 3.19Å; L18-F75 HydrophobicContact CD2-CB 4.47Å; L18-F75 HydrophobicContact CD2-CD1 4.1Å; L18-F75 HydrophobicContact CD2-CG 4.49Å; L18-D77 VanDerWaalsContact N-CG 3.32Å; L18-D77 PolarHBondContact N-OD1 2.8Å; L18-D77 PolarHBondContact N-OD2 3.3Å; L18-D77 VanDerWaalsContact N-OD2 3.08Å
19G92.7Very high93.4Very high23 Ų2348.1 Ų48.124%0.23725%0.252CS..  trans-84.9159.1175.100000112.6K17 D21 D22 F23K17-G19 PolarHBondContact O-N 2.8Å; G19-D21 VanDerWaalsContact C-N 3.3Å; G19-D21 PolarHBondContact O-N 2.96Å; G19-D22 PolarHBondContact O-N 2.96Å; G19-F23 PolarHBondContact O-N 3Å
20A93.7Very high93Very high30 Ų3049.5 Ų49.525%0.24826%0.259CS..Hα-helixtrans-61.9-40.7172.500000111.7F23 I24 F38A20-F23 PolarHBondContact O-N 2.98Å; A20-I24 VanDerWaalsContact O-CG1 3.28Å; A20-I24 WeakPolarHBondContact O-CG1 3.42Å; A20-I24 PolarHBondContact O-N 2.82Å; A20-F38 HydrophobicContact CB-CB 3.81Å; A20-F38 HydrophobicContact CB-CD1 4.12Å; A20-F38 HydrophobicContact CB-CD2 3.73Å; A20-F38 HydrophobicContact CB-CE2 4.32Å; A20-F38 HydrophobicContact CB-CG 3.62Å
21D94Very high92.7Very high123 Ų12351 Ų5166%0.65827%0.269SS*.Hα-helixtrans-66.8-41.8179.8-57.2-51.6000111.6G19 I24 R25G19-D21 VanDerWaalsContact C-N 3.3Å; G19-D21 PolarHBondContact O-N 2.96Å; D21-I24 PolarHBondContact O-N 3.25Å; D21-R25 VanDerWaalsContact O-CG 3.24Å; D21-R25 WeakPolarHBondContact O-CG 3.28Å; D21-R25 PolarHBondContact O-N 3.45Å
22D93.9Very high92.3Very high60 Ų6054.5 Ų54.532%0.32129%0.294SS..Hα-helixtrans-66.5-39.6177.2-67.9-42.1000111.9L18 G19 R25 I26L18-D22 HydrophobicContact CD1-CB 3.94Å; G19-D22 PolarHBondContact O-N 2.96Å; D22-R25 PolarHBondContact O-N 3.31Å; D22-R25 IonicContact OD1-NH1 3.11Å; D22-R25 PolarHBondContact OD1-NH1 3.01Å; D22-R25 VanDerWaalsContact OD1-NH1 3.11Å; D22-I26 WeakPolarHBondContact O-CD1 3.49Å; D22-I26 VanDerWaalsContact O-CG1 3.28Å; D22-I26 WeakPolarHBondContact O-CG1 3.5Å; D22-I26 PolarHBondContact O-N 3.02Å; D22-I26 VanDerWaalsContact O-N 3.11Å
23F94.6Very high92.1Very high1 Ų153.4 Ų53.40%0.00429%0.292CS..Hα-helixtrans-59.4-47.3173177.9-93.9000111.7V11 L14 L18 G19 A20 R25 I26 V27 F36 F38 V53 I55 F75V11-F23 HydrophobicContact CB-CZ 4.48Å; V11-F23 HydrophobicContact CG1-CE2 4.22Å; V11-F23 HydrophobicContact CG2-CZ 4.17Å; L14-F23 HydrophobicContact CD1-CD2 3.92Å; L14-F23 HydrophobicContact CD1-CE2 3.94Å; L14-F23 HydrophobicContact CD2-CD2 4.08Å; L14-F23 HydrophobicContact CD2-CE2 4.02Å; L18-F23 HydrophobicContact CD2-CB 4.12Å; L18-F23 HydrophobicContact CD2-CD2 4.14Å; G19-F23 PolarHBondContact O-N 3Å; A20-F23 PolarHBondContact O-N 2.98Å; F23-R25 PolarHBondContact O-N 3.1Å; F23-I26 PolarHBondContact O-N 3.14Å; F23-V27 HydrophobicContact CD1-CG2 4.37Å; F23-V27 HydrophobicContact CD2-CG2 4.34Å; F23-V27 HydrophobicContact CE1-CG2 3.96Å; F23-V27 HydrophobicContact CE2-CG2 3.94Å; F23-V27 HydrophobicContact CZ-CG2 3.74Å; F23-V27 WeakPolarHBondContact O-CB 3.47Å; F23-V27 VanDerWaalsContact O-CG2 3.29Å; F23-V27 WeakPolarHBondContact O-CG2 3.46Å; F23-V27 PolarHBondContact O-N 2.99Å; F23-V27 VanDerWaalsContact O-N 3.09Å; F23-F36 HydrophobicContact CD1-CE2 4.18Å; F23-F36 HydrophobicContact CD1-CZ 4.17Å; F23-F36 HydrophobicContact CE1-CE2 4.04Å; F23-F36 HydrophobicContact CE1-CZ 4.48Å; F23-F38 HydrophobicContact CB-CE2 4.21Å; F23-V53 HydrophobicContact CD1-CG1 4.39Å; F23-V53 HydrophobicContact CD1-CG2 4.2Å; F23-V53 HydrophobicContact CD2-CG2 4.41Å; F23-V53 HydrophobicContact CE1-CB 4.3Å; F23-V53 HydrophobicContact CE1-CG1 3.9Å; F23-V53 HydrophobicContact CE1-CG2 4.23Å; F23-V53 HydrophobicContact CE2-CG2 4.42Å; F23-V53 HydrophobicContact CG-CG2 4.29Å; F23-V53 HydrophobicContact CZ-CB 4.28Å; F23-V53 HydrophobicContact CZ-CG1 4.3Å; F23-V53 HydrophobicContact CZ-CG2 4.33Å; F23-I55 HydrophobicContact CE1-CD1 4.18Å; F23-I55 HydrophobicContact CZ-CD1 4.41Å; F23-F75 HydrophobicContact CD2-CD1 4.37Å; F23-F75 AromaticContact CD2-CE1 3.75Å; F23-F75 HydrophobicContact CD2-CE1 3.75Å; F23-F75 HydrophobicContact CD2-CZ 4.15Å; F23-F75 AromaticContact CE2-CE1 3.91Å; F23-F75 HydrophobicContact CE2-CE1 3.91Å; F23-F75 AromaticContact CE2-CZ 3.81Å; F23-F75 HydrophobicContact CE2-CZ 3.81Å
24I94Very high91.9Very high51 Ų5157 Ų5726%0.26231%0.311SS..Hα-helixtrans-61.5-45.4179.3-68.2164.4000110.2A20 D21 I26 V27 D28 F36A20-I24 VanDerWaalsContact O-CG1 3.28Å; A20-I24 WeakPolarHBondContact O-CG1 3.42Å; A20-I24 PolarHBondContact O-N 2.82Å; D21-I24 PolarHBondContact O-N 3.25Å; I24-I26 VanDerWaalsContact C-N 3.3Å; I24-I26 PolarHBondContact O-N 3.41Å; I24-V27 CarbonylContact O-C 3.6Å; I24-V27 PolarHBondContact O-N 2.85Å; I24-D28 PolarHBondContact O-N 3.3Å; I24-F36 HydrophobicContact CD1-CE1 4Å; I24-F36 HydrophobicContact CD1-CZ 3.99Å; I24-F36 HydrophobicContact CG1-CE1 4.41Å; I24-F36 HydrophobicContact CG1-CE2 4.43Å; I24-F36 HydrophobicContact CG1-CZ 3.88Å
25R93.6Very high91.8Very high181 Ų18159.6 Ų59.668%0.68332%0.321SS*.Hα-helixtrans-58.9-36.6178.4-72.6171.765.8-139.6-2.6113.9D21 D22 F23D21-R25 VanDerWaalsContact O-CG 3.24Å; D21-R25 WeakPolarHBondContact O-CG 3.28Å; D21-R25 PolarHBondContact O-N 3.45Å; D22-R25 PolarHBondContact O-N 3.31Å; D22-R25 IonicContact OD1-NH1 3.11Å; D22-R25 PolarHBondContact OD1-NH1 3.01Å; D22-R25 VanDerWaalsContact OD1-NH1 3.11Å; F23-R25 PolarHBondContact O-N 3.1Å
26I92.7Very high91.7Very high58 Ų5862.3 Ų62.330%0.29733%0.333SS..Hα-helixtrans-73.4-35.1177.8-66.8163.9000110.8D22 F23 I24 Y73 F75D22-I26 WeakPolarHBondContact O-CD1 3.49Å; D22-I26 VanDerWaalsContact O-CG1 3.28Å; D22-I26 WeakPolarHBondContact O-CG1 3.5Å; D22-I26 PolarHBondContact O-N 3.02Å; D22-I26 VanDerWaalsContact O-N 3.11Å; F23-I26 PolarHBondContact O-N 3.14Å; I24-I26 VanDerWaalsContact C-N 3.3Å; I24-I26 PolarHBondContact O-N 3.41Å; I26-Y73 HydrophobicContact CG2-CE1 3.72Å; I26-F75 HydrophobicContact CB-CE1 4.18Å; I26-F75 HydrophobicContact CD1-CD1 3.86Å; I26-F75 HydrophobicContact CD1-CE1 4.22Å; I26-F75 HydrophobicContact CG2-CD1 4.21Å; I26-F75 HydrophobicContact CG2-CE1 3.68Å; I26-F75 HydrophobicContact CG2-CZ 4.45Å
27V92.7Very high91.8Very high5 Ų566.8 Ų66.83%0.0334%0.344CS..Hα-helixtrans-87.6-14.2-174.1171.30000112.9F23 I24 P29 L30 F66 F70 F75F23-V27 HydrophobicContact CD1-CG2 4.37Å; F23-V27 HydrophobicContact CD2-CG2 4.34Å; F23-V27 HydrophobicContact CE1-CG2 3.96Å; F23-V27 HydrophobicContact CE2-CG2 3.94Å; F23-V27 HydrophobicContact CZ-CG2 3.74Å; F23-V27 WeakPolarHBondContact O-CB 3.47Å; F23-V27 VanDerWaalsContact O-CG2 3.29Å; F23-V27 WeakPolarHBondContact O-CG2 3.46Å; F23-V27 PolarHBondContact O-N 2.99Å; F23-V27 VanDerWaalsContact O-N 3.09Å; I24-V27 CarbonylContact O-C 3.6Å; I24-V27 PolarHBondContact O-N 2.85Å; V27-P29 CarbonylContact O-C 3.32Å; V27-L30 HydrophobicContact CG1-CB 4.19Å; V27-L30 HydrophobicContact CG1-CD1 3.46Å; V27-L30 VanDerWaalsContact CG1-CD1 3.46Å; V27-L30 HydrophobicContact CG1-CG 4.38Å; V27-F66 HydrophobicContact CG1-CD2 4.29Å; V27-F66 HydrophobicContact CG1-CE2 3.59Å; V27-F70 HydrophobicContact CB-CE1 4.43Å; V27-F70 HydrophobicContact CB-CE2 4.44Å; V27-F70 HydrophobicContact CB-CZ 4.05Å; V27-F70 HydrophobicContact CG1-CE2 3.94Å; V27-F70 HydrophobicContact CG1-CZ 4.05Å; V27-F70 HydrophobicContact CG2-CD1 4.24Å; V27-F70 HydrophobicContact CG2-CE1 3.86Å; V27-F70 HydrophobicContact CG2-CE2 4.35Å; V27-F70 HydrophobicContact CG2-CZ 3.94Å; V27-F75 HydrophobicContact CG2-CE1 4.4Å; V27-F75 HydrophobicContact CG2-CZ 4.34Å
28D90.3Very high92Very high92 Ų9263.7 Ų63.749%0.49233%0.331SS..PPolyproline II helixtrans-61.2129.2-176.9-81.6-29000112.6I24I24-D28 PolarHBondContact O-N 3.3Å
29P90Very high92Very high109 Ų10964.6 Ų64.671%0.70834%0.337SS*.SBendcis-85.1120.37.332.2-32.9000113.3V27V27-P29 CarbonylContact O-C 3.32Å
30L87.2Confident92Very high31 Ų3165.5 Ų65.516%0.16235%0.347CS..PPolyproline II helixtrans-70.4128.4173.4-175.566.3000110.3V27 H33 F36 I55 F66V27-L30 HydrophobicContact CG1-CB 4.19Å; V27-L30 HydrophobicContact CG1-CD1 3.46Å; V27-L30 VanDerWaalsContact CG1-CD1 3.46Å; V27-L30 HydrophobicContact CG1-CG 4.38Å; L30-H33 WeakPolarHBondContact CD2-CE1 3.21Å; L30-F36 HydrophobicContact CD2-CD2 4.19Å; L30-F36 HydrophobicContact CD2-CE2 4.41Å; L30-I55 HydrophobicContact CD1-CD1 3.95Å; L30-F66 HydrophobicContact CD1-CD2 4.32Å; L30-F66 HydrophobicContact CD1-CE2 4.06Å
31P87.9Confident91.9Very high33 Ų3365.5 Ų65.521%0.21435%0.347CS..PPolyproline II helixtrans-61.1165.9178.7-21.529.9000114.2H33 F57P31-H33 PolarHBondContact O-N 3Å; P31-H33 PolarHBondContact O-ND1 2.87Å; P31-F57 HydrophobicContact CB-CD1 4Å; P31-F57 HydrophobicContact CB-CE1 3.86Å; P31-F57 HydrophobicContact CG-CD1 4.45Å; P31-F57 HydrophobicContact CG-CE1 3.88Å
32S88.7Confident91.7Very high73 Ų7362.8 Ų62.851%0.5133%0.333SS..PPolyproline II helixtrans-57.9119.1179.9-1730000111.9N58S32-N58 PolarHBondContact O-N 3.38Å; S32-N58 PolarHBondContact OG-ND2 2.86Å
33H90.8Very high91.3Very high71 Ų7166.7 Ų66.733%0.32935%0.353SS..EExtended strand (participates in β ladder)trans-134.6144.2-174.459.5-85000111.7L30 P31 I55 T56L30-H33 WeakPolarHBondContact CD2-CE1 3.21Å; P31-H33 PolarHBondContact O-N 3Å; P31-H33 PolarHBondContact O-ND1 2.87Å; H33-I55 HydrophobicContact CB-CG2 3.86Å; H33-T56 CarbonylContact C-O 3.56Å; H33-T56 WeakPolarHBondContact CA-O 3.4Å; H33-T56 WeakPolarHBondContact CB-O 3.34Å
34T89.4Confident90.9Very high92 Ų9271.1 Ų71.156%0.56439%0.385SS*.EExtended strand (participates in β ladder)trans-86.7-28.8177-70.60000112.2T56 N58T34-T56 PolarHBondContact N-O 3.28Å; T34-N58 WeakPolarHBondContact CB-OD1 3.38Å; T34-N58 PolarHBondContact N-OD1 2.88Å; T34-N58 PolarHBondContact OG1-OD1 3.31Å
35Y90.9Very high90.4Very high56 Ų5673.3 Ų73.322%0.2240%0.397CS..EExtended strand (participates in β ladder)trans-143.2131-173.7178.3-95.4000110.5R37 I55 T56Y35-R37 HydrophobicContact CE1-CB 3.69Å; Y35-R37 WeakPolarHBondContact OH-CB 3.28Å; Y35-R37 VanDerWaalsContact OH-CD 3.24Å; Y35-R37 WeakPolarHBondContact OH-CD 3.42Å; Y35-R37 PolarHBondContact OH-NE 2.85Å; Y35-I55 CarbonylContact O-C 3.5Å; Y35-I55 WeakPolarHBondContact O-CA 3.42Å; Y35-T56 PolarHBondContact O-N 3.46Å
36F92.9Very high89.8Confident56 Ų5667.2 Ų67.225%0.24639%0.39CS..EExtended strand (participates in β ladder)trans-133.2127.1173.9178.4-92.9000108.8F23 I24 L30 F38 V53 Y54 I55F23-F36 HydrophobicContact CD1-CE2 4.18Å; F23-F36 HydrophobicContact CD1-CZ 4.17Å; F23-F36 HydrophobicContact CE1-CE2 4.04Å; F23-F36 HydrophobicContact CE1-CZ 4.48Å; I24-F36 HydrophobicContact CD1-CE1 4Å; I24-F36 HydrophobicContact CD1-CZ 3.99Å; I24-F36 HydrophobicContact CG1-CE1 4.41Å; I24-F36 HydrophobicContact CG1-CE2 4.43Å; I24-F36 HydrophobicContact CG1-CZ 3.88Å; L30-F36 HydrophobicContact CD2-CD2 4.19Å; L30-F36 HydrophobicContact CD2-CE2 4.41Å; F36-F38 HydrophobicContact CE1-CB 4.46Å; F36-V53 HydrophobicContact CD2-CG1 4.09Å; F36-V53 HydrophobicContact CE2-CG1 3.46Å; F36-V53 VanDerWaalsContact CE2-CG1 3.46Å; F36-V53 HydrophobicContact CZ-CG1 3.89Å; F36-Y54 CarbonylContact C-O 3.58Å; F36-Y54 WeakPolarHBondContact CA-O 3.32Å; F36-I55 HydrophobicContact CD2-CD1 4.25Å; F36-I55 HydrophobicContact CD2-CG1 3.95Å; F36-I55 HydrophobicContact CE2-CD1 4.25Å; F36-I55 HydrophobicContact CE2-CG1 4.28Å
37R93.8Very high89.2Confident137 Ų13768.6 Ų68.652%0.51742%0.419SS..EExtended strand (participates in β ladder)trans-139.3124.4172.7171.9178.6-80.6-88.51.4110.1Y35 V53 Y54Y35-R37 HydrophobicContact CE1-CB 3.69Å; Y35-R37 WeakPolarHBondContact OH-CB 3.28Å; Y35-R37 VanDerWaalsContact OH-CD 3.24Å; Y35-R37 WeakPolarHBondContact OH-CD 3.42Å; Y35-R37 PolarHBondContact OH-NE 2.85Å; R37-V53 WeakPolarHBondContact O-CA 3.28Å; R37-Y54 PolarHBondContact N-O 3.28Å; R37-Y54 PolarHBondContact O-N 2.89Å
38F94.8Very high88.7Confident49 Ų4975.2 Ų75.222%0.21545%0.453CS..EExtended strand (participates in β ladder)trans-86.9135.9168-164.8-92.3000110.8L18 A20 F23 F36 T51 V53L18-F38 WeakPolarHBondContact O-CZ 3.19Å; A20-F38 HydrophobicContact CB-CB 3.81Å; A20-F38 HydrophobicContact CB-CD1 4.12Å; A20-F38 HydrophobicContact CB-CD2 3.73Å; A20-F38 HydrophobicContact CB-CE2 4.32Å; A20-F38 HydrophobicContact CB-CG 3.62Å; F23-F38 HydrophobicContact CB-CE2 4.21Å; F36-F38 HydrophobicContact CE1-CB 4.46Å; F38-T51 HydrophobicContact CE1-CG2 3.62Å; F38-T51 HydrophobicContact CE2-CG2 3.71Å; F38-T51 HydrophobicContact CZ-CG2 3.12Å; F38-V53 HydrophobicContact CD2-CG2 3.33Å; F38-V53 HydrophobicContact CE2-CG2 3.66Å; F38-V53 HydrophobicContact CG-CG2 4.27Å
39C93.4Very high88.4Confident25 Ų2571.1 Ų71.117%0.16943%0.432CS..EExtended strand (participates in β ladder)trans-124.3108.9171.9-63.90000108.2T51 R52C39-T51 WeakPolarHBondContact O-CA 3.13Å; C39-T51 WeakPolarHBondContact O-CG2 3.45Å; C39-R52 WeakPolarHBondContact CA-O 3.3Å; C39-R52 HydrophobicContact CB-CG 3.62Å; C39-R52 WeakPolarHBondContact CB-O 3.3Å; C39-R52 PolarHBondContact N-O 3.3Å; C39-R52 PolarHBondContact O-N 2.74Å; C39-R52 VanDerWaalsContact O-O 3.12Å
40G92.4Very high88.4Confident43 Ų4369.5 Ų69.544%0.44342%0.417SS..  trans-64.2172.5174.800000112.7D42G40-D42 PolarHBondContact O-N 2.82Å
41A91.9Very high88.8Confident30 Ų3068 Ų6825%0.24841%0.41CS..  trans-50.4131.917300000111.8P16 D43 G49 T51P16-A41 HydrophobicContact CB-CB 3.89Å; P16-A41 WeakPolarHBondContact O-CB 3.38Å; A41-D43 PolarHBondContact O-N 3.06Å; A41-G49 WeakPolarHBondContact CB-O 3.26Å; A41-T51 PolarHBondContact N-OG1 2.9Å
42D89Confident89.1Confident66 Ų6670.2 Ų70.235%0.35341%0.413SS..  trans-87.2105.6172.7-172-15.1000109.1G40 S44 L45G40-D42 PolarHBondContact O-N 2.82Å; D42-S44 PolarHBondContact O-N 3.09Å; D42-S44 VanDerWaalsContact O-N 3.08Å; D42-S44 VanDerWaalsContact OD1-CB 3.27Å; D42-S44 WeakPolarHBondContact OD1-CB 3.4Å; D42-S44 PolarHBondContact OD1-N 3.46Å; D42-S44 PolarHBondContact OD1-OG 3.28Å; D42-S44 PolarHBondContact OD2-OG 3.01Å; D42-L45 HydrophobicContact CB-CD1 4.15Å; D42-L45 HydrophobicContact CB-CG 4.29Å; D42-L45 PolarHBondContact O-N 3.41Å
43D86.3Confident89.4Confident141 Ų14166.7 Ų66.775%0.75439%0.389SS*.G310 helixtrans-58.1-22.7-179.5-66.6-34.9000112.6A41 L45 G46A41-D43 PolarHBondContact O-N 3.06Å; D43-L45 PolarHBondContact O-N 2.83Å; D43-G46 PolarHBondContact O-N 3.27Å
44S86.5Confident89.6Confident95 Ų9565.7 Ų65.766%0.66438%0.383SS*.G310 helixtrans-68.6-20.6178.373.30000113.5D42 G46D42-S44 PolarHBondContact O-N 3.09Å; D42-S44 VanDerWaalsContact O-N 3.08Å; D42-S44 VanDerWaalsContact OD1-CB 3.27Å; D42-S44 WeakPolarHBondContact OD1-CB 3.4Å; D42-S44 PolarHBondContact OD1-N 3.46Å; D42-S44 PolarHBondContact OD1-OG 3.28Å; D42-S44 PolarHBondContact OD2-OG 3.01Å; S44-G46 VanDerWaalsContact C-N 3.34Å
45L84Confident89.8Confident97 Ų9761.3 Ų61.351%0.50836%0.356SS..G310 helixtrans-91.13.6178-61177.4000112.8D42 D43 G47 L48D42-L45 HydrophobicContact CB-CD1 4.15Å; D42-L45 HydrophobicContact CB-CG 4.29Å; D42-L45 PolarHBondContact O-N 3.41Å; D43-L45 PolarHBondContact O-N 2.83Å; L45-G47 PolarHBondContact O-N 3.45Å; L45-L48 HydrophobicContact CB-CB 4.5Å; L45-L48 PolarHBondContact O-N 3.1Å
46G80.5Confident90Very high52 Ų5258.7 Ų58.754%0.53635%0.345SS..G310 helixtrans56.8-135.6-17800000112D43 S44 L48 G49D43-G46 PolarHBondContact O-N 3.27Å; S44-G46 VanDerWaalsContact C-N 3.34Å; G46-L48 PolarHBondContact O-N 3.2Å; G46-G49 PolarHBondContact O-N 3.47Å
47G79.3Confident89.9Confident88 Ų8856 Ų5691%0.90733%0.334SS*.G310 helixtrans-65.9-3.7-179.800000115.6L45L45-G47 PolarHBondContact O-N 3.45Å
48L82.1Confident89.7Confident144 Ų14451.7 Ų51.775%0.75432%0.321SS*.G310 helixtrans-96.4-1.8174.2-56.9176.7000112.6L45 G46 L50L45-L48 HydrophobicContact CB-CB 4.5Å; L45-L48 PolarHBondContact O-N 3.1Å; G46-L48 PolarHBondContact O-N 3.2Å; L48-L50 VanDerWaalsContact C-N 3.29Å; L48-L50 PolarHBondContact O-N 2.99Å
49G84.8Confident89.4Confident5 Ų553.3 Ų53.35%0.05233%0.332CS..  trans-69.880.5178.300000111.7A41 G46A41-G49 WeakPolarHBondContact CB-O 3.26Å; G46-G49 PolarHBondContact O-N 3.47Å
50L90.7Very high89.3Confident75 Ų7554.6 Ų54.639%0.39334%0.336SS..  trans-87.5149.6174.6-62175.9000111.3L48L48-L50 VanDerWaalsContact C-N 3.29Å; L48-L50 PolarHBondContact O-N 2.99Å
51T93.8Very high89.3Confident1 Ų158.4 Ų58.41%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-74.3150.5175.4-65.50000110.1L14 P15 P16 F38 C39 A41L14-T51 HydrophobicContact CB-CG2 3.95Å; L14-T51 WeakPolarHBondContact CB-O 3.33Å; L14-T51 HydrophobicContact CD1-CG2 4.17Å; L14-T51 PolarHBondContact N-O 3.28Å; L14-T51 PolarHBondContact O-N 2.95Å; L14-T51 VanDerWaalsContact O-N 3.15Å; P15-T51 VanDerWaalsContact O-CB 3.24Å; P15-T51 WeakPolarHBondContact O-CB 3.37Å; P15-T51 PolarHBondContact O-OG1 3.24Å; P16-T51 PolarHBondContact O-OG1 3.44Å; F38-T51 HydrophobicContact CE1-CG2 3.62Å; F38-T51 HydrophobicContact CE2-CG2 3.71Å; F38-T51 HydrophobicContact CZ-CG2 3.12Å; C39-T51 WeakPolarHBondContact O-CA 3.13Å; C39-T51 WeakPolarHBondContact O-CG2 3.45Å; A41-T51 PolarHBondContact N-OG1 2.9Å
52R94.6Very high89.2Confident78 Ų7858.3 Ų58.329%0.29434%0.344SS..EExtended strand (participates in β ladder)trans-144.7149.1176.862.4-170.2178.4-100.31.6111.7V10 V11 C39 Y54V10-R52 HydrophobicContact CG2-CB 4.34Å; V11-R52 CarbonylContact O-C 3.56Å; V11-R52 VanDerWaalsContact O-CA 3.26Å; V11-R52 WeakPolarHBondContact O-CA 3.35Å; C39-R52 WeakPolarHBondContact CA-O 3.3Å; C39-R52 HydrophobicContact CB-CG 3.62Å; C39-R52 WeakPolarHBondContact CB-O 3.3Å; C39-R52 PolarHBondContact N-O 3.3Å; C39-R52 PolarHBondContact O-N 2.74Å; C39-R52 VanDerWaalsContact O-O 3.12Å; R52-Y54 HydrophobicContact CG-CE2 4.09Å; R52-Y54 PolarHBondContact NE-OH 2.89Å
53V95.6Very high89.4Confident0 Ų055.4 Ų55.40%033%0.328CS..EExtended strand (participates in β ladder)trans-125.8134.8179.5-1800000110.1V10 V11 L14 F23 F36 R37 F38 I55V10-V53 CarbonylContact C-O 3.52Å; V10-V53 VanDerWaalsContact CA-O 3.25Å; V10-V53 WeakPolarHBondContact CA-O 3.48Å; V11-V53 HydrophobicContact CB-CB 4.38Å; V11-V53 PolarHBondContact N-O 3.41Å; V11-V53 PolarHBondContact O-N 2.93Å; L14-V53 HydrophobicContact CD1-CB 4.26Å; L14-V53 HydrophobicContact CD1-CG2 3.53Å; F23-V53 HydrophobicContact CD1-CG1 4.39Å; F23-V53 HydrophobicContact CD1-CG2 4.2Å; F23-V53 HydrophobicContact CD2-CG2 4.41Å; F23-V53 HydrophobicContact CE1-CB 4.3Å; F23-V53 HydrophobicContact CE1-CG1 3.9Å; F23-V53 HydrophobicContact CE1-CG2 4.23Å; F23-V53 HydrophobicContact CE2-CG2 4.42Å; F23-V53 HydrophobicContact CG-CG2 4.29Å; F23-V53 HydrophobicContact CZ-CB 4.28Å; F23-V53 HydrophobicContact CZ-CG1 4.3Å; F23-V53 HydrophobicContact CZ-CG2 4.33Å; F36-V53 HydrophobicContact CD2-CG1 4.09Å; F36-V53 HydrophobicContact CE2-CG1 3.46Å; F36-V53 VanDerWaalsContact CE2-CG1 3.46Å; F36-V53 HydrophobicContact CZ-CG1 3.89Å; R37-V53 WeakPolarHBondContact O-CA 3.28Å; F38-V53 HydrophobicContact CD2-CG2 3.33Å; F38-V53 HydrophobicContact CE2-CG2 3.66Å; F38-V53 HydrophobicContact CG-CG2 4.27Å; V53-I55 HydrophobicContact CG1-CD1 4.11Å; V53-I55 HydrophobicContact CG1-CG1 3.78Å
54Y95.2Very high89.6Confident50 Ų5054.3 Ų54.320%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-107.6125.5174.2-63.6-86.8000110V9 V10 F36 R37 R52 A90V9-Y54 WeakPolarHBondContact O-CA 3.27Å; V10-Y54 HydrophobicContact CB-CD1 3.84Å; V10-Y54 HydrophobicContact CB-CE1 3.81Å; V10-Y54 HydrophobicContact CG2-CD1 3.87Å; V10-Y54 HydrophobicContact CG2-CE1 3.59Å; V10-Y54 HydrophobicContact CG2-CE2 4.5Å; V10-Y54 HydrophobicContact CG2-CG 4.45Å; F36-Y54 CarbonylContact C-O 3.58Å; F36-Y54 WeakPolarHBondContact CA-O 3.32Å; R37-Y54 PolarHBondContact N-O 3.28Å; R37-Y54 PolarHBondContact O-N 2.89Å; R52-Y54 HydrophobicContact CG-CE2 4.09Å; R52-Y54 PolarHBondContact NE-OH 2.89Å; Y54-A90 HydrophobicContact CD1-CB 4.34Å
55I94.1Very high90Very high0 Ų053.7 Ų53.70%031%0.306CS..EExtended strand (participates in β ladder)trans-128.6132.9-179.5-46.7-176.6000108.1K8 V9 F23 L30 H33 Y35 F36 V53 F57 F66K8-I55 CarbonylContact C-O 3.54Å; K8-I55 WeakPolarHBondContact CA-O 3.47Å; V9-I55 PolarHBondContact N-O 3.23Å; V9-I55 PolarHBondContact O-N 3.46Å; F23-I55 HydrophobicContact CE1-CD1 4.18Å; F23-I55 HydrophobicContact CZ-CD1 4.41Å; L30-I55 HydrophobicContact CD1-CD1 3.95Å; H33-I55 HydrophobicContact CB-CG2 3.86Å; Y35-I55 CarbonylContact O-C 3.5Å; Y35-I55 WeakPolarHBondContact O-CA 3.42Å; F36-I55 HydrophobicContact CD2-CD1 4.25Å; F36-I55 HydrophobicContact CD2-CG1 3.95Å; F36-I55 HydrophobicContact CE2-CD1 4.25Å; F36-I55 HydrophobicContact CE2-CG1 4.28Å; V53-I55 HydrophobicContact CG1-CD1 4.11Å; V53-I55 HydrophobicContact CG1-CG1 3.78Å; I55-F57 HydrophobicContact CB-CE2 4.02Å; I55-F57 HydrophobicContact CB-CZ 4.25Å; I55-F57 HydrophobicContact CG2-CD2 4.27Å; I55-F57 HydrophobicContact CG2-CE1 4.07Å; I55-F57 HydrophobicContact CG2-CE2 3.81Å; I55-F57 HydrophobicContact CG2-CZ 3.71Å; I55-F66 HydrophobicContact CD1-CE2 4.49Å; I55-F66 HydrophobicContact CD1-CZ 4.08Å
56T93.6Very high90.5Very high0 Ų049.2 Ų49.20%028%0.283CS..EExtended strand (participates in β ladder)trans-111110.3171.2-55.80000109.4A7 K8 H33 T34 Y35 L95A7-T56 WeakPolarHBondContact O-CA 3.29Å; K8-T56 WeakPolarHBondContact CG-OG1 3.48Å; H33-T56 CarbonylContact C-O 3.56Å; H33-T56 WeakPolarHBondContact CA-O 3.4Å; H33-T56 WeakPolarHBondContact CB-O 3.34Å; T34-T56 PolarHBondContact N-O 3.28Å; Y35-T56 PolarHBondContact O-N 3.46Å; T56-L95 HydrophobicContact CG2-CD2 3.34Å; T56-L95 WeakPolarHBondContact OG1-CD2 3.24Å
57F92.2Very high91.1Very high0 Ų050.9 Ų50.90%028%0.275CS..EExtended strand (participates in β ladder)trans-79.8146.4177.2-65.4-81.8000111S6 A7 V9 P31 I55 L63 F66S6-F57 VanDerWaalsContact CA-O 3.25Å; S6-F57 WeakPolarHBondContact CA-O 3.26Å; A7-F57 PolarHBondContact N-O 2.83Å; A7-F57 PolarHBondContact O-N 3.02Å; V9-F57 HydrophobicContact CB-CE2 4.33Å; P31-F57 HydrophobicContact CB-CD1 4Å; P31-F57 HydrophobicContact CB-CE1 3.86Å; P31-F57 HydrophobicContact CG-CD1 4.45Å; P31-F57 HydrophobicContact CG-CE1 3.88Å; I55-F57 HydrophobicContact CB-CE2 4.02Å; I55-F57 HydrophobicContact CB-CZ 4.25Å; I55-F57 HydrophobicContact CG2-CD2 4.27Å; I55-F57 HydrophobicContact CG2-CE1 4.07Å; I55-F57 HydrophobicContact CG2-CE2 3.81Å; I55-F57 HydrophobicContact CG2-CZ 3.71Å; F57-L63 HydrophobicContact CB-CB 4.28Å; F57-L63 HydrophobicContact CD2-CB 3.99Å; F57-L63 HydrophobicContact CD2-CD1 3.48Å; F57-L63 VanDerWaalsContact CD2-CD1 3.48Å; F57-L63 HydrophobicContact CD2-CG 4.27Å; F57-L63 HydrophobicContact CE2-CD1 3.49Å; F57-L63 VanDerWaalsContact CE2-CD1 3.49Å; F57-L63 HydrophobicContact CG-CB 4.15Å; F57-L63 HydrophobicContact CG-CD1 4.42Å; F57-L63 HydrophobicContact CZ-CD1 4.45Å; F57-F66 HydrophobicContact CE1-CB 4.28Å; F57-F66 HydrophobicContact CE1-CG 4.28Å; F57-F66 AromaticContact CE2-CD1 3.99Å; F57-F66 HydrophobicContact CE2-CD1 3.99Å; F57-F66 HydrophobicContact CE2-CE1 4.5Å; F57-F66 HydrophobicContact CE2-CG 4.26Å; F57-F66 HydrophobicContact CZ-CB 3.89Å; F57-F66 AromaticContact CZ-CD1 3.69Å; F57-F66 HydrophobicContact CZ-CD1 3.69Å; F57-F66 AromaticContact CZ-CD2 3.95Å; F57-F66 HydrophobicContact CZ-CD2 3.95Å; F57-F66 HydrophobicContact CZ-CE1 4.24Å; F57-F66 HydrophobicContact CZ-CE2 4.46Å; F57-F66 AromaticContact CZ-CG 3.54Å; F57-F66 HydrophobicContact CZ-CG 3.54Å
58N89.5Confident91.8Very high46 Ų4654.6 Ų54.625%0.24627%0.269CS..SBendtrans-79.8-38.2176-65-16.1000111.3S32 T34S32-N58 PolarHBondContact O-N 3.38Å; S32-N58 PolarHBondContact OG-ND2 2.86Å; T34-N58 WeakPolarHBondContact CB-OD1 3.38Å; T34-N58 PolarHBondContact N-OD1 2.88Å; T34-N58 PolarHBondContact OG1-OD1 3.31Å
59D88.7Confident92.4Very high84 Ų8455.8 Ų55.845%0.44926%0.263SS..  trans-114.2144.1-177.1-59.3-43.4000110.9L63D59-L63 PolarHBondContact O-N 2.97Å
60M90.7Very high92.8Very high52 Ų5256.6 Ų56.626%0.25627%0.265SS..Hα-helixtrans-76.3-34.7-178.7-69.1-90.351.100112.9L5 A7 S62 L63 F64L5-M60 HydrophobicContact CB-CG 4.38Å; A7-M60 HydrophobicContact CB-CE 3.26Å; A7-M60 HydrophobicContact CB-SD 3.88Å; M60-S62 VanDerWaalsContact C-N 3.34Å; M60-S62 PolarHBondContact O-N 3.24Å; M60-L63 HydrophobicContact CE-CB 3.85Å; M60-L63 HydrophobicContact CE-CD2 3.29Å; M60-L63 HydrophobicContact CE-CG 4.16Å; M60-L63 WeakPolarHBondContact O-CB 3.44Å; M60-L63 PolarHBondContact O-N 3.25Å; M60-L63 VanDerWaalsContact O-N 3.08Å; M60-F64 HydrophobicContact CB-CE2 4.41Å; M60-F64 WeakPolarHBondContact O-CD2 3.39Å; M60-F64 PolarHBondContact O-N 3.47Å; M60-F64 VanDerWaalsContact O-N 3.09Å
61D91.7Very high93.1Very high122 Ų12256.2 Ų56.265%0.65226%0.264SS*.Hα-helixtrans-62.4-44.4178.4-57.1-37.9000110.8L63 F64 D65D61-L63 PolarHBondContact O-N 3.13Å; D61-F64 PolarHBondContact O-N 2.96Å; D61-D65 PolarHBondContact O-N 3.04Å
62S90.8Very high93.2Very high28 Ų2858.4 Ų58.420%0.19629%0.286CS..Hα-helixtrans-60.1-30.7173.6-64.20000113.7M60 F66M60-S62 VanDerWaalsContact C-N 3.34Å; M60-S62 PolarHBondContact O-N 3.24Å; S62-F66 VanDerWaalsContact O-CB 3.31Å; S62-F66 WeakPolarHBondContact O-CB 3.5Å; S62-F66 PolarHBondContact O-N 3.17Å; S62-F66 VanDerWaalsContact O-N 3.1Å
63L92.1Very high93.2Very high5 Ų559.5 Ų59.53%0.02629%0.291CS..Hα-helixtrans-69.9-44.2173.317163.5000111.4A7 V9 F57 D59 M60 D61 D65 F66 K67 F89A7-L63 HydrophobicContact CB-CD2 4.12Å; V9-L63 HydrophobicContact CB-CD1 3.91Å; V9-L63 HydrophobicContact CG1-CD1 4.03Å; V9-L63 HydrophobicContact CG2-CD1 3.24Å; V9-L63 HydrophobicContact CG2-CD2 3.56Å; V9-L63 HydrophobicContact CG2-CG 4.04Å; F57-L63 HydrophobicContact CB-CB 4.28Å; F57-L63 HydrophobicContact CD2-CB 3.99Å; F57-L63 HydrophobicContact CD2-CD1 3.48Å; F57-L63 VanDerWaalsContact CD2-CD1 3.48Å; F57-L63 HydrophobicContact CD2-CG 4.27Å; F57-L63 HydrophobicContact CE2-CD1 3.49Å; F57-L63 VanDerWaalsContact CE2-CD1 3.49Å; F57-L63 HydrophobicContact CG-CB 4.15Å; F57-L63 HydrophobicContact CG-CD1 4.42Å; F57-L63 HydrophobicContact CZ-CD1 4.45Å; D59-L63 PolarHBondContact O-N 2.97Å; M60-L63 HydrophobicContact CE-CB 3.85Å; M60-L63 HydrophobicContact CE-CD2 3.29Å; M60-L63 HydrophobicContact CE-CG 4.16Å; M60-L63 WeakPolarHBondContact O-CB 3.44Å; M60-L63 PolarHBondContact O-N 3.25Å; M60-L63 VanDerWaalsContact O-N 3.08Å; D61-L63 PolarHBondContact O-N 3.13Å; L63-D65 VanDerWaalsContact C-N 3.34Å; L63-F66 WeakPolarHBondContact O-CB 3.41Å; L63-F66 PolarHBondContact O-N 3.05Å; L63-K67 WeakPolarHBondContact O-CB 3.17Å; L63-K67 PolarHBondContact O-N 3.27Å; L63-F89 HydrophobicContact CD2-CD1 4.28Å; L63-F89 HydrophobicContact CD2-CE1 3.38Å; L63-F89 HydrophobicContact CD2-CZ 3.8Å
64F92.3Very high93.2Very high118 Ų11863.8 Ų63.852%0.51831%0.313SS..Hα-helixtrans-63-43179.8-72.4-65.8000111.1M60 D61 F66 K67 E68M60-F64 HydrophobicContact CB-CE2 4.41Å; M60-F64 WeakPolarHBondContact O-CD2 3.39Å; M60-F64 PolarHBondContact O-N 3.47Å; M60-F64 VanDerWaalsContact O-N 3.09Å; D61-F64 PolarHBondContact O-N 2.96Å; F64-F66 VanDerWaalsContact C-N 3.32Å; F64-F66 PolarHBondContact O-N 2.87Å; F64-K67 PolarHBondContact O-N 3.35Å; F64-E68 PolarHBondContact O-N 3.21Å
65D93Very high93.2Very high83 Ų8361.4 Ų61.444%0.44430%0.304SS..Hα-helixtrans-58.9-43.4173.5-67.2-20.5000111.9D61 L63 R69D61-D65 PolarHBondContact O-N 3.04Å; L63-D65 VanDerWaalsContact C-N 3.34Å; D65-R69 VanDerWaalsContact O-CG 3.32Å; D65-R69 WeakPolarHBondContact O-CG 3.4Å; D65-R69 PolarHBondContact O-N 3.02Å
66F94.4Very high93.2Very high3 Ų365.8 Ų65.81%0.01333%0.327CS..Hα-helixtrans-63.7-44.8177176.9-94.9000111.5V11 V27 L30 I55 F57 S62 L63 F64 R69 F70 V87V11-F66 HydrophobicContact CG2-CE1 3.86Å; V11-F66 HydrophobicContact CG2-CZ 3.87Å; V27-F66 HydrophobicContact CG1-CD2 4.29Å; V27-F66 HydrophobicContact CG1-CE2 3.59Å; L30-F66 HydrophobicContact CD1-CD2 4.32Å; L30-F66 HydrophobicContact CD1-CE2 4.06Å; I55-F66 HydrophobicContact CD1-CE2 4.49Å; I55-F66 HydrophobicContact CD1-CZ 4.08Å; F57-F66 HydrophobicContact CE1-CB 4.28Å; F57-F66 HydrophobicContact CE1-CG 4.28Å; F57-F66 AromaticContact CE2-CD1 3.99Å; F57-F66 HydrophobicContact CE2-CD1 3.99Å; F57-F66 HydrophobicContact CE2-CE1 4.5Å; F57-F66 HydrophobicContact CE2-CG 4.26Å; F57-F66 HydrophobicContact CZ-CB 3.89Å; F57-F66 AromaticContact CZ-CD1 3.69Å; F57-F66 HydrophobicContact CZ-CD1 3.69Å; F57-F66 AromaticContact CZ-CD2 3.95Å; F57-F66 HydrophobicContact CZ-CD2 3.95Å; F57-F66 HydrophobicContact CZ-CE1 4.24Å; F57-F66 HydrophobicContact CZ-CE2 4.46Å; F57-F66 AromaticContact CZ-CG 3.54Å; F57-F66 HydrophobicContact CZ-CG 3.54Å; S62-F66 VanDerWaalsContact O-CB 3.31Å; S62-F66 WeakPolarHBondContact O-CB 3.5Å; S62-F66 PolarHBondContact O-N 3.17Å; S62-F66 VanDerWaalsContact O-N 3.1Å; L63-F66 WeakPolarHBondContact O-CB 3.41Å; L63-F66 PolarHBondContact O-N 3.05Å; F64-F66 VanDerWaalsContact C-N 3.32Å; F64-F66 PolarHBondContact O-N 2.87Å; F66-R69 PolarHBondContact O-N 3.01Å; F66-F70 AromaticContact CD2-CD2 3.45Å; F66-F70 HydrophobicContact CD2-CD2 3.45Å; F66-F70 VanDerWaalsContact CD2-CD2 3.45Å; F66-F70 AromaticContact CD2-CE2 3.78Å; F66-F70 HydrophobicContact CD2-CE2 3.78Å; F66-F70 AromaticContact CE2-CD2 3.33Å; F66-F70 HydrophobicContact CE2-CD2 3.33Å; F66-F70 AromaticContact CE2-CE2 3.76Å; F66-F70 HydrophobicContact CE2-CE2 3.76Å; F66-F70 HydrophobicContact CE2-CG 4.12Å; F66-F70 HydrophobicContact CG-CD2 4.12Å; F66-F70 HydrophobicContact CZ-CB 4.33Å; F66-F70 AromaticContact CZ-CD2 3.95Å; F66-F70 HydrophobicContact CZ-CD2 3.95Å; F66-F70 HydrophobicContact CZ-CG 4.35Å; F66-F70 WeakPolarHBondContact O-CD2 3.22Å; F66-F70 PolarHBondContact O-N 2.9Å; F66-F70 VanDerWaalsContact O-N 3.09Å; F66-V87 HydrophobicContact CD1-CG1 3.98Å; F66-V87 HydrophobicContact CE1-CG1 3.79Å; F66-V87 HydrophobicContact CE1-CG2 4.16Å
67K94.3Very high93.2Very high87 Ų8766.4 Ų66.438%0.37833%0.33SS..Hα-helixtrans-63.6-46.5179.6-171.7-173.2177.3-162.80111.1L63 F64 R69 F70 D71 V87L63-K67 WeakPolarHBondContact O-CB 3.17Å; L63-K67 PolarHBondContact O-N 3.27Å; F64-K67 PolarHBondContact O-N 3.35Å; K67-R69 PolarHBondContact O-N 2.61Å; K67-F70 PolarHBondContact O-N 3.03Å; K67-D71 WeakPolarHBondContact CE-OD2 3.46Å; K67-D71 HydrophobicContact CG-CB 4.06Å; K67-D71 WeakPolarHBondContact O-CB 3.43Å; K67-D71 PolarHBondContact O-N 2.95Å; K67-V87 HydrophobicContact CB-CG1 4.24Å; K67-V87 HydrophobicContact CG-CB 4.21Å; K67-V87 HydrophobicContact CG-CG1 4.08Å
68E94.5Very high93.1Very high166 Ų16671.5 Ų71.578%0.77637%0.365SS*.Hα-helixtrans-58.9-33.9-179.5-174.4174.9-176.300112.7F64F64-E68 PolarHBondContact O-N 3.21Å
69R93.4Very high93.1Very high168 Ų16875.1 Ų75.163%0.63438%0.38SS*.Hα-helixtrans-81.4-39.1-179.5-67.3175.3-172.3-1583.1114D65 F66 K67D65-R69 VanDerWaalsContact O-CG 3.32Å; D65-R69 WeakPolarHBondContact O-CG 3.4Å; D65-R69 PolarHBondContact O-N 3.02Å; F66-R69 PolarHBondContact O-N 3.01Å; K67-R69 PolarHBondContact O-N 2.61Å
70F94.7Very high93.3Very high22 Ų2273.5 Ų73.510%0.09638%0.383CS..Hα-helixtrans-110.1-11.1-167.4-64.6-70.1000114.7V27 F66 K67 G72 Y73 F75 V87V27-F70 HydrophobicContact CB-CE1 4.43Å; V27-F70 HydrophobicContact CB-CE2 4.44Å; V27-F70 HydrophobicContact CB-CZ 4.05Å; V27-F70 HydrophobicContact CG1-CE2 3.94Å; V27-F70 HydrophobicContact CG1-CZ 4.05Å; V27-F70 HydrophobicContact CG2-CD1 4.24Å; V27-F70 HydrophobicContact CG2-CE1 3.86Å; V27-F70 HydrophobicContact CG2-CE2 4.35Å; V27-F70 HydrophobicContact CG2-CZ 3.94Å; F66-F70 AromaticContact CD2-CD2 3.45Å; F66-F70 HydrophobicContact CD2-CD2 3.45Å; F66-F70 VanDerWaalsContact CD2-CD2 3.45Å; F66-F70 AromaticContact CD2-CE2 3.78Å; F66-F70 HydrophobicContact CD2-CE2 3.78Å; F66-F70 AromaticContact CE2-CD2 3.33Å; F66-F70 HydrophobicContact CE2-CD2 3.33Å; F66-F70 AromaticContact CE2-CE2 3.76Å; F66-F70 HydrophobicContact CE2-CE2 3.76Å; F66-F70 HydrophobicContact CE2-CG 4.12Å; F66-F70 HydrophobicContact CG-CD2 4.12Å; F66-F70 HydrophobicContact CZ-CB 4.33Å; F66-F70 AromaticContact CZ-CD2 3.95Å; F66-F70 HydrophobicContact CZ-CD2 3.95Å; F66-F70 HydrophobicContact CZ-CG 4.35Å; F66-F70 WeakPolarHBondContact O-CD2 3.22Å; F66-F70 PolarHBondContact O-N 2.9Å; F66-F70 VanDerWaalsContact O-N 3.09Å; K67-F70 PolarHBondContact O-N 3.03Å; F70-G72 PolarHBondContact O-N 2.92Å; F70-Y73 HydrophobicContact CD1-CG 4.24Å; F70-Y73 WeakPolarHBondContact O-CB 3.13Å; F70-Y73 PolarHBondContact O-N 3.24Å; F70-Y73 VanDerWaalsContact O-N 3.15Å; F70-F75 HydrophobicContact CD1-CZ 4.16Å; F70-V87 HydrophobicContact CB-CG2 4.07Å
71D95.6Very high93.3Very high68 Ų6874.1 Ų74.136%0.36439%0.387SS..THydrogen-bonded Turntrans-69.9114.1173.5-16029.3000109.7K67 V87K67-D71 WeakPolarHBondContact CE-OD2 3.46Å; K67-D71 HydrophobicContact CG-CB 4.06Å; K67-D71 WeakPolarHBondContact O-CB 3.43Å; K67-D71 PolarHBondContact O-N 2.95Å; D71-V87 HydrophobicContact CB-CB 4.17Å; D71-V87 HydrophobicContact CB-CG2 4.37Å; D71-V87 PolarHBondContact OD1-N 3.34Å
72G95.3Very high93.4Very high46 Ų4674.6 Ų74.647%0.47439%0.386SS..THydrogen-bonded Turntrans85.8-0-172.700000115.5F70 A85F70-G72 PolarHBondContact O-N 2.92Å; G72-A85 VanDerWaalsContact CA-O 3.27Å; G72-A85 WeakPolarHBondContact CA-O 3.33Å; G72-A85 PolarHBondContact N-O 2.84Å
73Y95.6Very high93.5Very high102 Ų10274.8 Ų74.840%0.439%0.387SS..  trans-64.8135.6178.4-176-86.5000111.5I26 F70 F75 S84 A85I26-Y73 HydrophobicContact CG2-CE1 3.72Å; F70-Y73 HydrophobicContact CD1-CG 4.24Å; F70-Y73 WeakPolarHBondContact O-CB 3.13Å; F70-Y73 PolarHBondContact O-N 3.24Å; F70-Y73 VanDerWaalsContact O-N 3.15Å; Y73-F75 HydrophobicContact CD1-CD1 4.25Å; Y73-F75 AromaticContact CD1-CD2 3.63Å; Y73-F75 HydrophobicContact CD1-CD2 3.63Å; Y73-F75 HydrophobicContact CD1-CE1 4.14Å; Y73-F75 AromaticContact CD1-CE2 3.49Å; Y73-F75 HydrophobicContact CD1-CE2 3.49Å; Y73-F75 VanDerWaalsContact CD1-CE2 3.49Å; Y73-F75 HydrophobicContact CD1-CG 4.02Å; Y73-F75 AromaticContact CD1-CZ 3.76Å; Y73-F75 HydrophobicContact CD1-CZ 3.76Å; Y73-F75 HydrophobicContact CE1-CD1 4.23Å; Y73-F75 HydrophobicContact CE1-CD2 4.35Å; Y73-F75 HydrophobicContact CE1-CE1 4.23Å; Y73-F75 HydrophobicContact CE1-CE2 4.35Å; Y73-F75 HydrophobicContact CE1-CG 4.3Å; Y73-F75 HydrophobicContact CE1-CZ 4.29Å; Y73-F75 HydrophobicContact CG-CE2 4.24Å; Y73-F75 PolarHBondContact O-N 3.25Å; Y73-S84 WeakPolarHBondContact O-CA 3.41Å; Y73-A85 PolarHBondContact O-N 3.2Å
74I95.4Very high93.6Very high89 Ų8978.2 Ų78.246%0.45641%0.411SS..EExtended strand (participates in β ladder)trans-87.9108.3-179.2-57.5172.9000109.1E82I74-E82 HydrophobicContact CG2-CB 3.86Å
75F95.2Very high93.8Very high1 Ų172.8 Ų72.80%0.00439%0.388CS..EExtended strand (participates in β ladder)trans-85.5141.6174.2-74-92.7000110.6L14 P15 L18 F23 I26 V27 F70 Y73 E82 S83 A85L14-F75 HydrophobicContact CD2-CB 4.28Å; L14-F75 HydrophobicContact CD2-CD1 4.08Å; L14-F75 HydrophobicContact CD2-CD2 3.48Å; L14-F75 VanDerWaalsContact CD2-CD2 3.48Å; L14-F75 HydrophobicContact CD2-CE1 4.31Å; L14-F75 HydrophobicContact CD2-CE2 3.75Å; L14-F75 HydrophobicContact CD2-CG 3.67Å; L14-F75 HydrophobicContact CD2-CZ 4.16Å; P15-F75 HydrophobicContact CG-CB 3.97Å; P15-F75 WeakPolarHBondContact CG-O 3.46Å; L18-F75 HydrophobicContact CD2-CB 4.47Å; L18-F75 HydrophobicContact CD2-CD1 4.1Å; L18-F75 HydrophobicContact CD2-CG 4.49Å; F23-F75 HydrophobicContact CD2-CD1 4.37Å; F23-F75 AromaticContact CD2-CE1 3.75Å; F23-F75 HydrophobicContact CD2-CE1 3.75Å; F23-F75 HydrophobicContact CD2-CZ 4.15Å; F23-F75 AromaticContact CE2-CE1 3.91Å; F23-F75 HydrophobicContact CE2-CE1 3.91Å; F23-F75 AromaticContact CE2-CZ 3.81Å; F23-F75 HydrophobicContact CE2-CZ 3.81Å; I26-F75 HydrophobicContact CB-CE1 4.18Å; I26-F75 HydrophobicContact CD1-CD1 3.86Å; I26-F75 HydrophobicContact CD1-CE1 4.22Å; I26-F75 HydrophobicContact CG2-CD1 4.21Å; I26-F75 HydrophobicContact CG2-CE1 3.68Å; I26-F75 HydrophobicContact CG2-CZ 4.45Å; V27-F75 HydrophobicContact CG2-CE1 4.4Å; V27-F75 HydrophobicContact CG2-CZ 4.34Å; F70-F75 HydrophobicContact CD1-CZ 4.16Å; Y73-F75 HydrophobicContact CD1-CD1 4.25Å; Y73-F75 AromaticContact CD1-CD2 3.63Å; Y73-F75 HydrophobicContact CD1-CD2 3.63Å; Y73-F75 HydrophobicContact CD1-CE1 4.14Å; Y73-F75 AromaticContact CD1-CE2 3.49Å; Y73-F75 HydrophobicContact CD1-CE2 3.49Å; Y73-F75 VanDerWaalsContact CD1-CE2 3.49Å; Y73-F75 HydrophobicContact CD1-CG 4.02Å; Y73-F75 AromaticContact CD1-CZ 3.76Å; Y73-F75 HydrophobicContact CD1-CZ 3.76Å; Y73-F75 HydrophobicContact CE1-CD1 4.23Å; Y73-F75 HydrophobicContact CE1-CD2 4.35Å; Y73-F75 HydrophobicContact CE1-CE1 4.23Å; Y73-F75 HydrophobicContact CE1-CE2 4.35Å; Y73-F75 HydrophobicContact CE1-CG 4.3Å; Y73-F75 HydrophobicContact CE1-CZ 4.29Å; Y73-F75 HydrophobicContact CG-CE2 4.24Å; Y73-F75 PolarHBondContact O-N 3.25Å; F75-E82 WeakPolarHBondContact O-CA 3.49Å; F75-S83 PolarHBondContact N-O 3.27Å; F75-S83 PolarHBondContact O-N 3.27Å; F75-A85 HydrophobicContact CD2-CB 3.54Å; F75-A85 HydrophobicContact CE2-CB 3.37Å
76L94.3Very high93.9Very high91 Ų9172.8 Ų72.848%0.47639%0.388SS..EExtended strand (participates in β ladder)trans-114.9135.8177.9-64.1173.5000109.9E82L76-E82 HydrophobicContact CD2-CB 3.78Å; L76-E82 HydrophobicContact CD2-CG 3.35Å
77D92.9Very high94Very high13 Ų1372.9 Ų72.97%0.0739%0.389CS..  trans-90168.1174.9-149.7-26.4000112.6P15 K17 L18 E79 G80 N81P15-D77 HydrophobicContact CB-CB 3.76Å; P15-D77 HydrophobicContact CG-CB 4.46Å; K17-D77 WeakPolarHBondContact CA-OD2 3.16Å; K17-D77 VanDerWaalsContact CB-CG 3.49Å; K17-D77 WeakPolarHBondContact CB-OD1 3.43Å; K17-D77 WeakPolarHBondContact CB-OD2 2.94Å; K17-D77 PolarHBondContact N-OD2 3.07Å; K17-D77 VanDerWaalsContact O-OD1 3.1Å; L18-D77 VanDerWaalsContact N-CG 3.32Å; L18-D77 PolarHBondContact N-OD1 2.8Å; L18-D77 PolarHBondContact N-OD2 3.3Å; L18-D77 VanDerWaalsContact N-OD2 3.08Å; D77-E79 PolarHBondContact O-N 2.98Å; D77-G80 PolarHBondContact O-N 3.5Å; D77-N81 HydrophobicContact CB-CB 4.04Å; D77-N81 PolarHBondContact N-O 3.29Å; D77-N81 VanDerWaalsContact N-O 3.11Å
78C90.7Very high94.1Very high108 Ų10871.5 Ų71.573%0.7338%0.383SS*.THydrogen-bonded Turntrans-59-25.8168.762.40000113.3
79E90.5Very high94.1Very high122 Ų12268.8 Ų68.857%0.5737%0.369SS*.THydrogen-bonded Turntrans-86.6-2.9175-66-179.5172.900113.3K17 D77 N81K17-E79 HydrophobicContact CG-CG 4.44Å; D77-E79 PolarHBondContact O-N 2.98Å; E79-N81 PolarHBondContact OE2-ND2 3.49Å
80G90.9Very high94Very high49 Ų4961 Ų6151%0.50534%0.341SS..  trans80.212.9-17600000114.6D77 E82D77-G80 PolarHBondContact O-N 3.5Å; G80-E82 PolarHBondContact O-N 2.89Å
81N91.3Very high93.9Very high65 Ų6565.9 Ų65.935%0.34837%0.372SS..  trans-70.9122.3174.1-65.8-31.4000109.8P15 D77 E79P15-N81 HydrophobicContact CB-CB 4.41Å; D77-N81 HydrophobicContact CB-CB 4.04Å; D77-N81 PolarHBondContact N-O 3.29Å; D77-N81 VanDerWaalsContact N-O 3.11Å; E79-N81 PolarHBondContact OE2-ND2 3.49Å
82E93.6Very high93.6Very high133 Ų13366.7 Ų66.762%0.62138%0.382SS*.EExtended strand (participates in β ladder)trans-98.3135.9178.5-33-163147.100110I74 F75 L76 G80I74-E82 HydrophobicContact CG2-CB 3.86Å; F75-E82 WeakPolarHBondContact O-CA 3.49Å; L76-E82 HydrophobicContact CD2-CB 3.78Å; L76-E82 HydrophobicContact CD2-CG 3.35Å; G80-E82 PolarHBondContact O-N 2.89Å
83S93.1Very high93.2Very high31 Ų3168 Ų6822%0.21738%0.376CS..EExtended strand (participates in β ladder)trans-149.5134.1172.7-63.20000111.3G13 F75 A85G13-S83 WeakPolarHBondContact O-CB 3.49Å; F75-S83 PolarHBondContact N-O 3.27Å; F75-S83 PolarHBondContact O-N 3.27Å; S83-A85 PolarHBondContact O-N 3.34Å
84S95.3Very high92.5Very high77 Ų7769 Ų6954%0.53839%0.392SS..EExtended strand (participates in β ladder)trans-75.1121.9174.8-59.50000110.2Y73Y73-S84 WeakPolarHBondContact O-CA 3.41Å
85A95.7Very high91.3Very high4 Ų467.1 Ų67.13%0.03338%0.383CS..  trans-72.9148.8174.600000111.7V11 R12 L14 G72 Y73 F75 S83V11-A85 HydrophobicContact CG1-CB 3.89Å; R12-A85 CarbonylContact O-C 3.44Å; R12-A85 VanDerWaalsContact O-CA 3.26Å; R12-A85 WeakPolarHBondContact O-CA 3.43Å; L14-A85 HydrophobicContact CD2-CB 4.21Å; G72-A85 VanDerWaalsContact CA-O 3.27Å; G72-A85 WeakPolarHBondContact CA-O 3.33Å; G72-A85 PolarHBondContact N-O 2.84Å; Y73-A85 PolarHBondContact O-N 3.2Å; F75-A85 HydrophobicContact CD2-CB 3.54Å; F75-A85 HydrophobicContact CE2-CB 3.37Å; S83-A85 PolarHBondContact O-N 3.34Å
86L96.1Very high89.5Confident84 Ų8470 Ų7044%0.4441%0.407SS..EExtended strand (participates in β ladder)trans-120122.9171.417768.8000108.2V11 R12V11-L86 WeakPolarHBondContact CA-O 3.29Å; R12-L86 HydrophobicContact CB-CB 4.4Å; R12-L86 PolarHBondContact N-O 2.91Å; R12-L86 PolarHBondContact O-N 3.38Å
87V96.1Very high87.4Confident5 Ų570.9 Ų70.93%0.0342%0.42CS..EExtended strand (participates in β ladder)trans-105.4108.4-179.7-177.30000109.3V9 V11 F66 K67 F70 D71V9-V87 HydrophobicContact CG1-CG1 3.5Å; V9-V87 VanDerWaalsContact CG1-CG1 3.5Å; V11-V87 HydrophobicContact CG1-CG2 4.32Å; V11-V87 HydrophobicContact CG2-CG2 4.28Å; F66-V87 HydrophobicContact CD1-CG1 3.98Å; F66-V87 HydrophobicContact CE1-CG1 3.79Å; F66-V87 HydrophobicContact CE1-CG2 4.16Å; K67-V87 HydrophobicContact CB-CG1 4.24Å; K67-V87 HydrophobicContact CG-CB 4.21Å; K67-V87 HydrophobicContact CG-CG1 4.08Å; F70-V87 HydrophobicContact CB-CG2 4.07Å; D71-V87 HydrophobicContact CB-CB 4.17Å; D71-V87 HydrophobicContact CB-CG2 4.37Å; D71-V87 PolarHBondContact OD1-N 3.34Å
88E95.1Very high85.2Confident57 Ų5773.9 Ų73.927%0.26645%0.446SS..EExtended strand (participates in β ladder)trans-133.1160.2-176.659166.7-14000112.2V9 V10 R12 A90V9-E88 WeakPolarHBondContact CA-O 3.38Å; V9-E88 WeakPolarHBondContact CG1-O 3.35Å; V10-E88 HydrophobicContact CG1-CG 3.55Å; V10-E88 PolarHBondContact N-O 3.13Å; V10-E88 PolarHBondContact O-N 3.26Å; R12-E88 WeakPolarHBondContact CD-OE1 3.26Å; R12-E88 IonicContact CZ-OE1 2.95Å; R12-E88 IonicContact NE-OE1 3.3Å; R12-E88 PolarHBondContact NE-OE1 2.63Å; R12-E88 IonicContact NH1-OE1 2.78Å; R12-E88 PolarHBondContact NH1-OE1 3.2Å; R12-E88 IonicContact NH1-OE2 3.71Å; R12-E88 IonicContact NH2-OE1 3.46Å; R12-E88 PolarHBondContact NH2-OE1 3.29Å; E88-A90 PolarHBondContact O-N 2.99Å
89F94.7Very high83Confident109 Ų10976.4 Ų76.448%0.47845%0.445SS..EExtended strand (participates in β ladder)trans-62.6135.9171.9-73.2-71.2000110.6A7 V9 L63 V91A7-F89 HydrophobicContact CB-CE1 4.07Å; V9-F89 HydrophobicContact CG2-CD1 3.93Å; V9-F89 HydrophobicContact CG2-CE1 4.26Å; L63-F89 HydrophobicContact CD2-CD1 4.28Å; L63-F89 HydrophobicContact CD2-CE1 3.38Å; L63-F89 HydrophobicContact CD2-CZ 3.8Å; F89-V91 PolarHBondContact O-N 2.93Å
90A92.9Very high80.5Confident5 Ų573.2 Ų73.24%0.04145%0.445CS..  trans-65.1133.5176.300000109.9K8 V10 Y54 E88 C92K8-A90 HydrophobicContact CB-CB 4.19Å; K8-A90 HydrophobicContact CD-CB 4.15Å; K8-A90 HydrophobicContact CG-CB 3.77Å; K8-A90 PolarHBondContact O-N 3.45Å; V10-A90 HydrophobicContact CB-CB 4.48Å; Y54-A90 HydrophobicContact CD1-CB 4.34Å; E88-A90 PolarHBondContact O-N 2.99Å; A90-C92 PolarHBondContact O-N 3.14Å; A90-C92 VanDerWaalsContact O-N 3.12Å
91V92.1Very high78.2Confident125 Ų12575.8 Ų75.876%0.75846%0.455SS*.SBendtrans-50.3-40.7176.7-1790000111.5F89F89-V91 PolarHBondContact O-N 2.93Å
92C87.9Confident76Confident84 Ų8477 Ų7757%0.56847%0.469SS*.  trans-105101.8174.8-62.30000110.2K8 A90 V94K8-C92 WeakPolarHBondContact CD-O 3.48Å; K8-C92 PolarHBondContact NZ-O 3.26Å; A90-C92 PolarHBondContact O-N 3.14Å; A90-C92 VanDerWaalsContact O-N 3.12Å; C92-V94 VanDerWaalsContact C-N 3.3Å
93Q88.4Confident74.1Confident75 Ų7578.6 Ų78.635%0.3548%0.482SS..  trans-77.6-12.2175.1-74.4-64.5-2.900114.3K8 L95K8-Q93 VanDerWaalsContact CA-OE1 3.31Å; K8-Q93 PolarHBondContact O-NE2 2.82Å; K8-Q93 PolarHBondContact O-OE1 2.95Å; Q93-L95 PolarHBondContact O-N 3.2Å; Q93-L95 VanDerWaalsContact O-N 3.08Å
94V80.9Confident72.1Confident121 Ų12183.7 Ų83.773%0.73351%0.506SS*.SBendtrans-63.3116.9172.7-1760000107.4C92 A96C92-V94 VanDerWaalsContact C-N 3.3Å; V94-A96 PolarHBondContact O-N 2.99Å
95L68.9Low69.5Low51 Ų5188.2 Ų88.227%0.26752%0.524SS..  trans-54.6130.1168-55.6-176.6000106.1T56 Q93 C97T56-L95 HydrophobicContact CG2-CD2 3.34Å; T56-L95 WeakPolarHBondContact OG1-CD2 3.24Å; Q93-L95 PolarHBondContact O-N 3.2Å; Q93-L95 VanDerWaalsContact O-N 3.08Å; L95-C97 PolarHBondContact O-N 2.95Å
96A58.5Low67Low61 Ų6190.9 Ų90.950%0.50455%0.552SS.*  trans-66.683.2163.400000104.7V94 A98V94-A96 PolarHBondContact O-N 2.99Å; A96-A98 VanDerWaalsContact C-N 3.27Å; A96-A98 PolarHBondContact O-N 3.45Å
97C50.4Low64.4Low110 Ų11090.6 Ų90.674%0.74357%0.57SS**  trans-52.7107.3165.3-65.50000103.1L95 K99L95-C97 PolarHBondContact O-N 2.95Å; C97-K99 PolarHBondContact O-N 3.44Å
98A46.6Very low62.3Low76 Ų7691.5 Ų91.563%0.62858%0.58SS**  trans-49.2112.9-179.800000105.3A96 G100A96-A98 VanDerWaalsContact C-N 3.27Å; A96-A98 PolarHBondContact O-N 3.45Å; A98-G100 PolarHBondContact O-N 2.86Å
99K44.3Very low60.7Low160 Ų16098.3 Ų98.370%0.69661%0.609SS**  trans-65.792.8173-178.2153.2164.6153.80104.4C97 S101C97-K99 PolarHBondContact O-N 3.44Å; K99-S101 PolarHBondContact O-N 3.43Å
100G38.8Very low59.4Low56 Ų5698.2 Ų98.258%0.57762%0.617SS**SBendtrans13.683.7-17600000115.2A98A98-G100 PolarHBondContact O-N 2.86Å
101S41Very low58.3Low103 Ų103102.9 Ų102.972%0.7264%0.641SS**  trans-114.154.3162.269.90000109.6K99K99-S101 PolarHBondContact O-N 3.43Å
102S45.9Very low57.6Low91 Ų91107 Ų10764%0.63665%0.649SS**SBendtrans-171.594.6153.363.30000107D104S102-D104 VanDerWaalsContact C-N 3.27Å; S102-D104 PolarHBondContact O-N 2.88Å
103D53.3Low57.1Low166 Ų166110.3 Ų110.389%0.88865%0.653SS**SBendtrans57.4-1.3145.7-53.2-27.7000122
104D52.2Low56.6Low138 Ų138114 Ų11474%0.73867%0.671SS**SBendtrans-132.5100.1177.3-90.1-40.4000113.6S102 G106S102-D104 VanDerWaalsContact C-N 3.27Å; S102-D104 PolarHBondContact O-N 2.88Å; D104-G106 PolarHBondContact O-N 2.95Å
105N40Very low56.5Low171 Ų171111.8 Ų111.891%0.91467%0.672SS**  trans29.267.3141.5-78.3-50.9000118.3
106G43Very low57.2Low60 Ų60111.5 Ų111.562%0.61968%0.675SS**  trans-137.440.3-170.700000117.4D104 G108D104-G106 PolarHBondContact O-N 2.95Å; G106-G108 PolarHBondContact O-N 3.36Å; G106-G108 VanDerWaalsContact O-N 3.12Å
107G41.3Very low58.4Low79 Ų79114 Ų11481%0.81468%0.679SS**  trans72.417.4141.500000119.6K109G107-K109 PolarHBondContact O-N 3.28Å
108G53.3Low59.9Low23 Ų23114.9 Ų114.924%0.23768%0.676CS.*  trans-67.4109.3154.500000108.3G106 V110G106-G108 PolarHBondContact O-N 3.36Å; G106-G108 VanDerWaalsContact O-N 3.12Å; G108-V110 WeakPolarHBondContact O-CG2 3.42Å; G108-V110 PolarHBondContact O-N 2.97Å
109K61Low61.7Low201 Ų201120.3 Ų120.387%0.87469%0.685SS**  trans-56.388.3174.7-64.7170.278.9174.30109.1G107 D111G107-K109 PolarHBondContact O-N 3.28Å; K109-D111 PolarHBondContact O-N 2.84Å
110V67.7Low63.7Low107 Ų107116.6 Ų116.665%0.64867%0.673SS**  trans-67.3127.7169.1-169.50000105G108 K112G108-V110 WeakPolarHBondContact O-CG2 3.42Å; G108-V110 PolarHBondContact O-N 2.97Å; V110-K112 PolarHBondContact O-N 3.13Å
111D68.8Low66Low102 Ų102117.5 Ų117.555%0.54567%0.671SS.*  trans-58.8126.1-180-173.4-7.9000108.8K109 K113 Q114K109-D111 PolarHBondContact O-N 2.84Å; D111-K113 PolarHBondContact O-N 3.46Å; D111-K113 PolarHBondContact OD1-N 2.83Å; D111-Q114 HydrophobicContact CB-CG 4.42Å; D111-Q114 WeakPolarHBondContact O-CB 3.22Å; D111-Q114 PolarHBondContact O-N 3.39Å
112K76.9Confident68.2Low212 Ų212115.6 Ų115.692%0.92266%0.661SS**THydrogen-bonded Turntrans-58.6-18.7176.8-68.4-177.8179.5-1770112V110V110-K112 PolarHBondContact O-N 3.13Å
113K77.5Confident70.3Confident153 Ų153114.7 Ų114.767%0.66564%0.644SS**THydrogen-bonded Turntrans-92.5-2176.7-61.3-173.1173.5-170.80114D111 G115 S116D111-K113 PolarHBondContact O-N 3.46Å; D111-K113 PolarHBondContact OD1-N 2.83Å; K113-G115 PolarHBondContact O-N 3.42Å; K113-S116 PolarHBondContact O-N 3.15Å; K113-S116 VanDerWaalsContact O-N 3.15Å; K113-S116 PolarHBondContact O-OG 3.03Å
114Q78.4Confident72Confident152 Ų152110.1 Ų110.171%0.7162%0.622SS**THydrogen-bonded Turntrans-61.3135174-103.6-147.1-30.500110.5D111 S116D111-Q114 HydrophobicContact CB-CG 4.42Å; D111-Q114 WeakPolarHBondContact O-CB 3.22Å; D111-Q114 PolarHBondContact O-N 3.39Å; Q114-S116 VanDerWaalsContact C-N 3.28Å; Q114-S116 PolarHBondContact O-N 2.92Å
115G78.3Confident73.8Confident75 Ų75110.7 Ų110.777%0.77362%0.618SS**THydrogen-bonded Turntrans77.21.8-177.500000115.5K113K113-G115 PolarHBondContact O-N 3.42Å
116S83.5Confident76.1Confident46 Ų46107.7 Ų107.732%0.32260%0.597SS.*  trans-88-1.6177.978.90000114.7K113 Q114 L118 K119 D120K113-S116 PolarHBondContact O-N 3.15Å; K113-S116 VanDerWaalsContact O-N 3.15Å; K113-S116 PolarHBondContact O-OG 3.03Å; Q114-S116 VanDerWaalsContact C-N 3.28Å; Q114-S116 PolarHBondContact O-N 2.92Å; S116-L118 VanDerWaalsContact C-N 3.28Å; S116-L118 PolarHBondContact O-N 3.35Å; S116-K119 PolarHBondContact O-N 3.08Å; S116-D120 PolarHBondContact O-N 3.05Å; S116-D120 VanDerWaalsContact O-N 3.17Å
117L83.8Confident78.2Confident112 Ų112108.4 Ų108.459%0.58659%0.586SS**G310 helixtrans-53.6-43.6-175.6-174.670000112.2K119 D120 Y123L117-K119 PolarHBondContact O-N 3.42Å; L117-D120 WeakPolarHBondContact O-CB 3.41Å; L117-D120 PolarHBondContact O-N 3.39Å; L117-D120 VanDerWaalsContact O-N 3.13Å; L117-Y123 HydrophobicContact CG-CD2 4.28Å; L117-Y123 HydrophobicContact CG-CG 4.35Å; L117-Y123 VanDerWaalsContact O-CB 3.27Å; L117-Y123 WeakPolarHBondContact O-CB 3.43Å; L117-Y123 VanDerWaalsContact O-CD1 3.28Å; L117-Y123 WeakPolarHBondContact O-CD1 3.36Å
118L83.5Confident80.1Confident130 Ų130107.9 Ų107.968%0.68157%0.57SS**G310 helixtrans-62.3-25.2179.2-70.4158.5000113.6S116 Y123S116-L118 VanDerWaalsContact C-N 3.28Å; S116-L118 PolarHBondContact O-N 3.35Å; L118-Y123 HydrophobicContact CD2-CE1 3.98Å
119K83.8Confident81.4Confident190 Ų190109.6 Ų109.683%0.82658%0.578SS**G310 helixtrans-98.1-6.2179.9-65.5-178.3179.3177.30112.8S116 L117S116-K119 PolarHBondContact O-N 3.08Å; L117-K119 PolarHBondContact O-N 3.42Å
120D86.3Confident82.1Confident81 Ų81104.4 Ų104.443%0.43356%0.557SS.*  trans-72.9132.3-174.7-155.5-10.8000110.6S116 L117 A122 Y123 V124S116-D120 PolarHBondContact O-N 3.05Å; S116-D120 VanDerWaalsContact O-N 3.17Å; L117-D120 WeakPolarHBondContact O-CB 3.41Å; L117-D120 PolarHBondContact O-N 3.39Å; L117-D120 VanDerWaalsContact O-N 3.13Å; D120-A122 PolarHBondContact O-N 2.95Å; D120-Y123 PolarHBondContact O-N 3.37Å; D120-V124 WeakPolarHBondContact O-CG2 3.32Å; D120-V124 PolarHBondContact O-N 3.4Å
121S87Confident82.1Confident76 Ų76102.6 Ų102.653%0.53155%0.549SS..Hα-helixtrans-64.2-30.4-172.889.50000112.2K125S121-K125 WeakPolarHBondContact O-CB 3.36Å; S121-K125 VanDerWaalsContact O-CG 3.27Å; S121-K125 WeakPolarHBondContact O-CG 3.39Å; S121-K125 PolarHBondContact O-N 3.42Å
122A87.6Confident81.9Confident63 Ų63100.5 Ų100.552%0.52155%0.547SS..Hα-helixtrans-66.4-41.7175.800000111.3D120 K125 F126D120-A122 PolarHBondContact O-N 2.95Å; A122-K125 PolarHBondContact O-N 3.15Å; A122-F126 WeakPolarHBondContact O-CB 3.41Å; A122-F126 PolarHBondContact O-N 2.98Å
123Y88.5Confident81Confident72 Ų7296 Ų9628%0.28253%0.528SS..Hα-helixtrans-67.8-40.9177.2178.7-105000111.8L117 L118 D120 F126 L127L117-Y123 HydrophobicContact CG-CD2 4.28Å; L117-Y123 HydrophobicContact CG-CG 4.35Å; L117-Y123 VanDerWaalsContact O-CB 3.27Å; L117-Y123 WeakPolarHBondContact O-CB 3.43Å; L117-Y123 VanDerWaalsContact O-CD1 3.28Å; L117-Y123 WeakPolarHBondContact O-CD1 3.36Å; L118-Y123 HydrophobicContact CD2-CE1 3.98Å; D120-Y123 PolarHBondContact O-N 3.37Å; Y123-F126 WeakPolarHBondContact O-CB 3.27Å; Y123-F126 PolarHBondContact O-N 2.96Å; Y123-L127 HydrophobicContact CD1-CD1 4.01Å; Y123-L127 HydrophobicContact CE1-CD1 3.39Å; Y123-L127 HydrophobicContact CE1-CG 4.16Å; Y123-L127 HydrophobicContact CE2-CD1 4.5Å; Y123-L127 HydrophobicContact CE2-CG 4.45Å; Y123-L127 PolarHBondContact O-N 2.99Å
124V89Confident80Confident69 Ų6993.2 Ų93.242%0.41852%0.524SS..Hα-helixtrans-63.5-44.9175.4178.10000111.2D120 F126 L127 S128D120-V124 WeakPolarHBondContact O-CG2 3.32Å; D120-V124 PolarHBondContact O-N 3.4Å; V124-F126 VanDerWaalsContact C-N 3.3Å; V124-F126 PolarHBondContact O-N 2.97Å; V124-L127 PolarHBondContact O-N 3.28Å; V124-S128 PolarHBondContact O-N 3.43Å; V124-S128 PolarHBondContact O-OG 3.48Å
125K90.1Very high78.7Confident150 Ų15090.7 Ų90.765%0.65252%0.522SS*.Hα-helixtrans-60.6-39.4175.3-75.7175.6-178.3-178.30112.2S121 A122 S128 S129S121-K125 WeakPolarHBondContact O-CB 3.36Å; S121-K125 VanDerWaalsContact O-CG 3.27Å; S121-K125 WeakPolarHBondContact O-CG 3.39Å; S121-K125 PolarHBondContact O-N 3.42Å; A122-K125 PolarHBondContact O-N 3.15Å; K125-S128 PolarHBondContact O-N 2.75Å; K125-S129 PolarHBondContact O-N 3.39Å; K125-S129 PolarHBondContact O-OG 3.45Å
126F88.1Confident77.5Confident108 Ų10889.5 Ų89.547%0.47451%0.505SS..Hα-helixtrans-62.9-44.1175.7172.7-99.3000112.1A122 Y123 V124 S128 S129 Q130A122-F126 WeakPolarHBondContact O-CB 3.41Å; A122-F126 PolarHBondContact O-N 2.98Å; Y123-F126 WeakPolarHBondContact O-CB 3.27Å; Y123-F126 PolarHBondContact O-N 2.96Å; V124-F126 VanDerWaalsContact C-N 3.3Å; V124-F126 PolarHBondContact O-N 2.97Å; F126-S128 VanDerWaalsContact C-N 3.32Å; F126-S128 PolarHBondContact O-N 2.94Å; F126-S129 WeakPolarHBondContact CA-OG 3.46Å; F126-S129 PolarHBondContact O-N 2.99Å; F126-S129 PolarHBondContact O-OG 2.9Å; F126-Q130 WeakPolarHBondContact O-CB 3.42Å; F126-Q130 PolarHBondContact O-N 3.43Å
127L88.6Confident76Confident75 Ų7594.3 Ų94.339%0.39352%0.523SS..Hα-helixtrans-63.7-37.9174.9-73.9173.7000112.1Y123 V124 Q130 S131Y123-L127 HydrophobicContact CD1-CD1 4.01Å; Y123-L127 HydrophobicContact CE1-CD1 3.39Å; Y123-L127 HydrophobicContact CE1-CG 4.16Å; Y123-L127 HydrophobicContact CE2-CD1 4.5Å; Y123-L127 HydrophobicContact CE2-CG 4.45Å; Y123-L127 PolarHBondContact O-N 2.99Å; V124-L127 PolarHBondContact O-N 3.28Å; L127-Q130 PolarHBondContact O-N 3.46Å; L127-S131 WeakPolarHBondContact O-CB 3.48Å; L127-S131 PolarHBondContact O-N 2.97Å; L127-S131 PolarHBondContact O-OG 3.3Å
128S81.2Confident74.4Confident68 Ų6896.2 Ų96.248%0.47653%0.532SS..Hα-helixtrans-66.2-41.1174.1-60.50000112.4V124 K125 F126 S131 A132V124-S128 PolarHBondContact O-N 3.43Å; V124-S128 PolarHBondContact O-OG 3.48Å; K125-S128 PolarHBondContact O-N 2.75Å; F126-S128 VanDerWaalsContact C-N 3.32Å; F126-S128 PolarHBondContact O-N 2.94Å; S128-S131 WeakPolarHBondContact CA-OG 3.25Å; S128-S131 PolarHBondContact O-OG 2.79Å; S128-S131 VanDerWaalsContact O-OG 3.07Å; S128-A132 VanDerWaalsContact O-CB 3.29Å; S128-A132 WeakPolarHBondContact O-CB 3.4Å; S128-A132 PolarHBondContact O-N 2.91Å
129S80.6Confident72.9Confident59 Ų5994.6 Ų94.641%0.41353%0.531SS..Hα-helixtrans-67.2-39.1175.256.90000111.4K125 F126 A132 E133K125-S129 PolarHBondContact O-N 3.39Å; K125-S129 PolarHBondContact O-OG 3.45Å; F126-S129 WeakPolarHBondContact CA-OG 3.46Å; F126-S129 PolarHBondContact O-N 2.99Å; F126-S129 PolarHBondContact O-OG 2.9Å; S129-A132 PolarHBondContact O-N 3.44Å; S129-E133 VanDerWaalsContact O-CB 3.26Å; S129-E133 WeakPolarHBondContact O-CB 3.39Å; S129-E133 PolarHBondContact O-N 3.05Å
130Q74.8Confident71.2Confident92 Ų9292.9 Ų92.943%0.4353%0.526SS..Hα-helixtrans-69.1-36.7-179.7-152.7175.62000111.8F126 L127 V134F126-Q130 WeakPolarHBondContact O-CB 3.42Å; F126-Q130 PolarHBondContact O-N 3.43Å; L127-Q130 PolarHBondContact O-N 3.46Å; Q130-V134 WeakPolarHBondContact O-CB 3.27Å; Q130-V134 WeakPolarHBondContact O-CG2 3.24Å; Q130-V134 PolarHBondContact O-N 3.15Å
131S68.9Low69.1Low69 Ų6993.7 Ų93.748%0.48354%0.539SS..Hα-helixtrans-71.5-35.9172.448.30000112.7L127 S128 C135L127-S131 WeakPolarHBondContact O-CB 3.48Å; L127-S131 PolarHBondContact O-N 2.97Å; L127-S131 PolarHBondContact O-OG 3.3Å; S128-S131 WeakPolarHBondContact CA-OG 3.25Å; S128-S131 PolarHBondContact O-OG 2.79Å; S128-S131 VanDerWaalsContact O-OG 3.07Å; S131-C135 WeakPolarHBondContact O-CB 3.38Å; S131-C135 PolarHBondContact O-N 3.43Å
132A62.8Low67.3Low59 Ų5998.8 Ų98.849%0.48855%0.554SS.*Hα-helixtrans-66.9-37.7173.100000112.2S128 S129 C135 A136S128-A132 VanDerWaalsContact O-CB 3.29Å; S128-A132 WeakPolarHBondContact O-CB 3.4Å; S128-A132 PolarHBondContact O-N 2.91Å; S129-A132 PolarHBondContact O-N 3.44Å; A132-C135 PolarHBondContact O-N 3.09Å; A132-A136 VanDerWaalsContact O-CB 3.29Å; A132-A136 WeakPolarHBondContact O-CB 3.46Å; A132-A136 PolarHBondContact O-N 3.47Å
133E58.6Low65.7Low116 Ų116100.9 Ų100.954%0.54257%0.565SS.*Hα-helixtrans-68.2-46.5176.8-151.9156.6-138.500109.7S129 C135 A136 E137S129-E133 VanDerWaalsContact O-CB 3.26Å; S129-E133 WeakPolarHBondContact O-CB 3.39Å; S129-E133 PolarHBondContact O-N 3.05Å; E133-C135 VanDerWaalsContact C-N 3.27Å; E133-C135 PolarHBondContact O-N 3.17Å; E133-A136 PolarHBondContact O-N 3.33Å; E133-A136 VanDerWaalsContact O-N 3.11Å; E133-E137 HydrophobicContact CG-CG 4.36Å; E133-E137 WeakPolarHBondContact O-CB 3.38Å; E133-E137 WeakPolarHBondContact O-CG 3.36Å; E133-E137 PolarHBondContact O-N 3.13Å
134V56.6Low64.5Low95 Ų95107 Ų10758%0.57659%0.593SS**Hα-helixtrans-61.3-32.2175.3173.60000112.9Q130Q130-V134 WeakPolarHBondContact O-CB 3.27Å; Q130-V134 WeakPolarHBondContact O-CG2 3.24Å; Q130-V134 PolarHBondContact O-N 3.15Å
135C51.4Low63.6Low99 Ų99109.7 Ų109.767%0.66960%0.599SS**Hα-helixtrans-81.3-27.7175.2-74.30000113.9S131 A132 E133S131-C135 WeakPolarHBondContact O-CB 3.38Å; S131-C135 PolarHBondContact O-N 3.43Å; A132-C135 PolarHBondContact O-N 3.09Å; E133-C135 VanDerWaalsContact C-N 3.27Å; E133-C135 PolarHBondContact O-N 3.17Å
136A52.3Low62.9Low51 Ų51105 Ų10542%0.42158%0.583SS.*Hα-helixtrans-80.9-30.6177.300000112.6A132 E133 I138 S139A132-A136 VanDerWaalsContact O-CB 3.29Å; A132-A136 WeakPolarHBondContact O-CB 3.46Å; A132-A136 PolarHBondContact O-N 3.47Å; E133-A136 PolarHBondContact O-N 3.33Å; E133-A136 VanDerWaalsContact O-N 3.11Å; A136-I138 PolarHBondContact O-N 3.38Å; A136-I138 VanDerWaalsContact O-N 3.13Å; A136-S139 PolarHBondContact O-N 3.41Å; A136-S139 PolarHBondContact O-OG 3.27Å
137E51.8Low62.5Low147 Ų147105 Ų10569%0.68759%0.594SS**THydrogen-bonded Turntrans-67.4-12.8-175.1-68.1-112.7145.300114.3E133E133-E137 HydrophobicContact CG-CG 4.36Å; E133-E137 WeakPolarHBondContact O-CB 3.38Å; E133-E137 WeakPolarHBondContact O-CG 3.36Å; E133-E137 PolarHBondContact O-N 3.13Å
138I51.1Low62.1Low152 Ų152108.8 Ų108.878%0.77960%0.603SS**THydrogen-bonded Turntrans-84.1-16.7179-57.2176.9000111.9A136A136-I138 PolarHBondContact O-N 3.38Å; A136-I138 VanDerWaalsContact O-N 3.13Å
139S51.2Low62.3Low95 Ų95109.1 Ų109.166%0.66460%0.597SS**THydrogen-bonded Turntrans-123.9-15.1-167.643.80000117.1A136A136-S139 PolarHBondContact O-N 3.41Å; A136-S139 PolarHBondContact O-OG 3.27Å
140E49.4Very low62.3Low154 Ų154108.9 Ų108.972%0.7260%0.595SS**  trans-132.4100.2-175.2-78.3-178.5160.900112.6
141S42.2Very low62.9Low99 Ų99109.3 Ų109.369%0.69260%0.599SS**  34.5112.3128.459.50000118
142E49.5Very low63.8Low182 Ų182110.5 Ų110.585%0.8560%0.6SS**SBendtrans53.3121.9135.4-55.3-159.6156.400119
143S53.2Low64.9Low108 Ų108110.3 Ų110.376%0.75559%0.591SS**  trans86.645.4145.478.10000120.3
144K63.1Low66.2Low199 Ų199108.7 Ų108.787%0.86559%0.586SS**  trans-112.271.9154.7-66.6-179.4-171.8166.20111.1T146K144-T146 PolarHBondContact O-N 3.49Å
145K70.3Confident67.7Low126 Ų126108.9 Ų108.955%0.54858%0.583SS.*  trans-59.1129165.7-62.1176.3-176.8-179.50107.9E149 D153K145-E149 WeakPolarHBondContact CA-OE2 3.46Å; K145-E149 HydrophobicContact CB-CB 4.07Å; K145-D153 IonicContact NZ-OD2 2.63Å; K145-D153 PolarHBondContact NZ-OD2 3.29Å
146T75.1Confident69.4Low52 Ų52109.7 Ų109.732%0.31958%0.577SS.*  trans-61.3157.8173.556.30000110.6K144 W148 E149 S150K144-T146 PolarHBondContact O-N 3.49Å; T146-W148 PolarHBondContact O-N 2.99Å; T146-W148 VanDerWaalsContact O-N 3.1Å; T146-W148 VanDerWaalsContact OG1-CD1 3.24Å; T146-W148 PolarHBondContact OG1-NE1 2.88Å; T146-E149 PolarHBondContact N-OE2 3.24Å; T146-E149 WeakPolarHBondContact O-CB 3.45Å; T146-E149 PolarHBondContact O-N 3.45Å; T146-E149 WeakPolarHBondContact OG1-CG 3.04Å; T146-E149 PolarHBondContact OG1-OE2 2.67Å; T146-S150 PolarHBondContact O-N 3.18Å
147P79.9Confident70.8Confident108 Ų108111.2 Ų111.270%0.70158%0.578SS**Hα-helixtrans-55.8-32.7-177.7-26.333.8000113.8I151P147-I151 WeakPolarHBondContact O-CD1 3.48Å; P147-I151 VanDerWaalsContact O-CG1 3.28Å; P147-I151 WeakPolarHBondContact O-CG1 3.35Å; P147-I151 PolarHBondContact O-N 3.32Å
148W81Confident72.2Confident155 Ų155111 Ų11159%0.58758%0.575SS**Hα-helixtrans-75.1-36.4176.864-92.2000112.3T146 S150 I151 L152T146-W148 PolarHBondContact O-N 2.99Å; T146-W148 VanDerWaalsContact O-N 3.1Å; T146-W148 VanDerWaalsContact OG1-CD1 3.24Å; T146-W148 PolarHBondContact OG1-NE1 2.88Å; W148-S150 VanDerWaalsContact C-N 3.34Å; W148-I151 PolarHBondContact O-N 3.31Å; W148-L152 HydrophobicContact CE3-CD1 3.61Å; W148-L152 HydrophobicContact CZ3-CD1 3.74Å; W148-L152 WeakPolarHBondContact O-CG 3.42Å; W148-L152 PolarHBondContact O-N 3.02Å
149E84.9Confident73.7Confident74 Ų74110 Ų11035%0.34657%0.567SS.*Hα-helixtrans-63.8-40.2173.1-73.8168.7150.900111.3K145 T146 I151 L152 D153K145-E149 WeakPolarHBondContact CA-OE2 3.46Å; K145-E149 HydrophobicContact CB-CB 4.07Å; T146-E149 PolarHBondContact N-OE2 3.24Å; T146-E149 WeakPolarHBondContact O-CB 3.45Å; T146-E149 PolarHBondContact O-N 3.45Å; T146-E149 WeakPolarHBondContact OG1-CG 3.04Å; T146-E149 PolarHBondContact OG1-OE2 2.67Å; E149-I151 VanDerWaalsContact C-N 3.34Å; E149-I151 PolarHBondContact O-N 3.12Å; E149-L152 PolarHBondContact O-N 3.25Å; E149-D153 WeakPolarHBondContact O-CB 3.47Å; E149-D153 PolarHBondContact O-N 2.77Å
150S80.7Confident75Confident54 Ų54109.2 Ų109.238%0.37856%0.558SS.*Hα-helixtrans-60.5-42.7174-170.50000112.1T146 W148 D153 D154T146-S150 PolarHBondContact O-N 3.18Å; W148-S150 VanDerWaalsContact C-N 3.34Å; S150-D153 PolarHBondContact O-N 2.75Å; S150-D154 WeakPolarHBondContact O-CB 3.45Å; S150-D154 VanDerWaalsContact O-CG 3.25Å; S150-D154 PolarHBondContact O-N 2.84Å
151I86.4Confident76.3Confident101 Ų101106.2 Ų106.252%0.51855%0.547SS..Hα-helixtrans-66.6-39.1178.1-66.4163.3000110.7P147 W148 E149 D154 L155P147-I151 WeakPolarHBondContact O-CD1 3.48Å; P147-I151 VanDerWaalsContact O-CG1 3.28Å; P147-I151 WeakPolarHBondContact O-CG1 3.35Å; P147-I151 PolarHBondContact O-N 3.32Å; W148-I151 PolarHBondContact O-N 3.31Å; E149-I151 VanDerWaalsContact C-N 3.34Å; E149-I151 PolarHBondContact O-N 3.12Å; I151-D154 PolarHBondContact O-N 3.28Å; I151-L155 HydrophobicContact CG2-CD1 4.03Å; I151-L155 HydrophobicContact CG2-CG 4.4Å; I151-L155 WeakPolarHBondContact O-CB 2.99Å; I151-L155 VanDerWaalsContact O-CG 3.26Å; I151-L155 WeakPolarHBondContact O-CG 3Å; I151-L155 PolarHBondContact O-N 3.07Å
152L87.5Confident77.6Confident95 Ų95104.1 Ų104.150%0.49754%0.535SS..Hα-helixtrans-65.8-42.4176.1-72.4178.1000111.8W148 E149 D154 L155 Q156W148-L152 HydrophobicContact CE3-CD1 3.61Å; W148-L152 HydrophobicContact CZ3-CD1 3.74Å; W148-L152 WeakPolarHBondContact O-CG 3.42Å; W148-L152 PolarHBondContact O-N 3.02Å; E149-L152 PolarHBondContact O-N 3.25Å; L152-D154 VanDerWaalsContact C-N 3.35Å; L152-L155 PolarHBondContact O-N 2.61Å; L152-Q156 WeakPolarHBondContact O-CB 3.34Å; L152-Q156 PolarHBondContact O-N 3.04Å
153D86.4Confident78.3Confident54 Ų54101.1 Ų101.129%0.28953%0.525SS..Hα-helixtrans-63.1-42.1175.6-128.827.1000110.8K145 E149 S150 Q156 N157K145-D153 IonicContact NZ-OD2 2.63Å; K145-D153 PolarHBondContact NZ-OD2 3.29Å; E149-D153 WeakPolarHBondContact O-CB 3.47Å; E149-D153 PolarHBondContact O-N 2.77Å; S150-D153 PolarHBondContact O-N 2.75Å; D153-Q156 PolarHBondContact O-N 3.21Å; D153-N157 VanDerWaalsContact O-CB 3.28Å; D153-N157 WeakPolarHBondContact O-CB 3.39Å; D153-N157 PolarHBondContact O-N 3.48Å; D153-N157 PolarHBondContact O-ND2 3.42Å; D153-N157 VanDerWaalsContact O-ND2 3.14Å
154D87.3Confident78.8Confident83 Ų83103.5 Ų103.544%0.44452%0.524SS..Hα-helixtrans-64.6-39.8175.5-75.3-19.3000112.5S150 I151 L152 K158S150-D154 WeakPolarHBondContact O-CB 3.45Å; S150-D154 VanDerWaalsContact O-CG 3.25Å; S150-D154 PolarHBondContact O-N 2.84Å; I151-D154 PolarHBondContact O-N 3.28Å; L152-D154 VanDerWaalsContact C-N 3.35Å; D154-K158 VanDerWaalsContact O-CB 3.3Å; D154-K158 WeakPolarHBondContact O-CB 3.48Å; D154-K158 WeakPolarHBondContact O-CG 3.25Å; D154-K158 PolarHBondContact O-N 3.03Å
155L87.4Confident78.8Confident98 Ų9899 Ų9951%0.51351%0.513SS..Hα-helixtrans-66.4-43.7175.1-76171000111.1I151 L152 K158 E159I151-L155 HydrophobicContact CG2-CD1 4.03Å; I151-L155 HydrophobicContact CG2-CG 4.4Å; I151-L155 WeakPolarHBondContact O-CB 2.99Å; I151-L155 VanDerWaalsContact O-CG 3.26Å; I151-L155 WeakPolarHBondContact O-CG 3Å; I151-L155 PolarHBondContact O-N 3.07Å; L152-L155 PolarHBondContact O-N 2.61Å; L155-K158 PolarHBondContact O-N 3.08Å; L155-E159 PolarHBondContact O-N 3.32Å
156Q85.8Confident78.4Confident117 Ų11798.5 Ų98.555%0.54751%0.513SS..Hα-helixtrans-63.9-43.8176.8-174.3173.1-22.100111.1L152 D153 K158 E159 V160L152-Q156 WeakPolarHBondContact O-CB 3.34Å; L152-Q156 PolarHBondContact O-N 3.04Å; D153-Q156 PolarHBondContact O-N 3.21Å; Q156-K158 VanDerWaalsContact C-N 3.33Å; Q156-K158 PolarHBondContact O-N 3.22Å; Q156-E159 PolarHBondContact O-N 2.81Å; Q156-V160 WeakPolarHBondContact O-CG2 3.26Å; Q156-V160 PolarHBondContact O-N 3.44Å
157N83.5Confident78Confident82 Ų82101.8 Ų101.844%0.43953%0.533SS..Hα-helixtrans-64-37.8175.3-70.8-26.1000111.9D153 N161D153-N157 VanDerWaalsContact O-CB 3.28Å; D153-N157 WeakPolarHBondContact O-CB 3.39Å; D153-N157 PolarHBondContact O-N 3.48Å; D153-N157 PolarHBondContact O-ND2 3.42Å; D153-N157 VanDerWaalsContact O-ND2 3.14Å; N157-N161 VanDerWaalsContact O-CB 3.3Å; N157-N161 WeakPolarHBondContact O-CB 3.46Å; N157-N161 PolarHBondContact O-N 3.48Å; N157-N161 PolarHBondContact O-ND2 3.39Å
158K81Confident77.6Confident143 Ų143100.6 Ų100.662%0.62252%0.524SS*.Hα-helixtrans-66.1-39.1173.5-79.5169.9177.3172.30112.3D154 L155 Q156 A162D154-K158 VanDerWaalsContact O-CB 3.3Å; D154-K158 WeakPolarHBondContact O-CB 3.48Å; D154-K158 WeakPolarHBondContact O-CG 3.25Å; D154-K158 PolarHBondContact O-N 3.03Å; L155-K158 PolarHBondContact O-N 3.08Å; Q156-K158 VanDerWaalsContact C-N 3.33Å; Q156-K158 PolarHBondContact O-N 3.22Å; K158-A162 WeakPolarHBondContact O-CB 3.4Å; K158-A162 PolarHBondContact O-N 2.68Å
159E82.6Confident77.7Confident132 Ų13296.4 Ų96.462%0.61752%0.515SS*.Hα-helixtrans-67.4-46177.8-171.8171.9-166.300111.4L155 Q156 N161 A162 L163L155-E159 PolarHBondContact O-N 3.32Å; Q156-E159 PolarHBondContact O-N 2.81Å; E159-N161 PolarHBondContact O-N 2.95Å; E159-A162 PolarHBondContact O-N 3.03Å; E159-L163 WeakPolarHBondContact O-CG 3.5Å; E159-L163 PolarHBondContact O-N 3.02Å
160V78.9Confident77.6Confident78 Ų7898.4 Ų98.447%0.47353%0.534SS..Hα-helixtrans-60.9-45176.2176.10000111Q156 L163 Q164Q156-V160 WeakPolarHBondContact O-CG2 3.26Å; Q156-V160 PolarHBondContact O-N 3.44Å; V160-L163 PolarHBondContact O-N 3.38Å; V160-Q164 PolarHBondContact O-N 2.73Å
161N74.8Confident77.9Confident91 Ų91101.2 Ų101.249%0.48755%0.545SS..Hα-helixtrans-67.6-38.9177-72.8-34.7000112.4N157 E159 L163 Q164 T165N157-N161 VanDerWaalsContact O-CB 3.3Å; N157-N161 WeakPolarHBondContact O-CB 3.46Å; N157-N161 PolarHBondContact O-N 3.48Å; N157-N161 PolarHBondContact O-ND2 3.39Å; E159-N161 PolarHBondContact O-N 2.95Å; N161-L163 VanDerWaalsContact C-N 3.31Å; N161-L163 PolarHBondContact O-N 2.86Å; N161-Q164 PolarHBondContact O-N 2.91Å; N161-Q164 VanDerWaalsContact O-N 3.09Å; N161-T165 PolarHBondContact O-N 2.83Å; N161-T165 PolarHBondContact O-OG1 3.24Å; N161-T165 VanDerWaalsContact O-OG1 3.06Å
162A70.8Confident77.9Confident54 Ų5499.5 Ų99.545%0.44654%0.536SS..Hα-helixtrans-64.3-34.7178.500000112.5K158 E159 Q164 Q166K158-A162 WeakPolarHBondContact O-CB 3.4Å; K158-A162 PolarHBondContact O-N 2.68Å; E159-A162 PolarHBondContact O-N 3.03Å; A162-Q164 VanDerWaalsContact C-N 3.33Å; A162-Q166 WeakPolarHBondContact O-CA 3.24Å; A162-Q166 VanDerWaalsContact O-CB 3.32Å; A162-Q166 WeakPolarHBondContact O-CB 3.28Å; A162-Q166 PolarHBondContact O-N 3.08Å; A162-Q166 VanDerWaalsContact O-N 3.1Å
163L64.4Low77.6Confident120 Ų12097.8 Ų97.863%0.62853%0.53SS*.Hα-helixtrans-68.8-32.9172.7-67.4173.5000112.1E159 V160 N161E159-L163 WeakPolarHBondContact O-CG 3.5Å; E159-L163 PolarHBondContact O-N 3.02Å; V160-L163 PolarHBondContact O-N 3.38Å; N161-L163 VanDerWaalsContact C-N 3.31Å; N161-L163 PolarHBondContact O-N 2.86Å
164Q63.5Low77.7Confident157 Ų157101.6 Ų101.673%0.73454%0.541SS*.Hα-helixtrans-84.6-33.5-176.5-148.4166.714.500112.9V160 N161 A162V160-Q164 PolarHBondContact O-N 2.73Å; N161-Q164 PolarHBondContact O-N 2.91Å; N161-Q164 VanDerWaalsContact O-N 3.09Å; A162-Q164 VanDerWaalsContact C-N 3.33Å
165T62Low77.7Confident106 Ų106102 Ų10265%0.6554%0.542SS*.SBendtrans-96.211.3174.867.10000112.8N161 T167N161-T165 PolarHBondContact O-N 2.83Å; N161-T165 PolarHBondContact O-OG1 3.24Å; N161-T165 VanDerWaalsContact O-OG1 3.06Å; T165-T167 VanDerWaalsContact C-N 3.29Å; T165-T167 PolarHBondContact O-N 3.37Å
166Q63.6Low77.7Confident114 Ų114102.5 Ų102.553%0.53355%0.546SS..  trans-61.496.5177.6-160170.324.100108.3A162 V168A162-Q166 WeakPolarHBondContact O-CA 3.24Å; A162-Q166 VanDerWaalsContact O-CB 3.32Å; A162-Q166 WeakPolarHBondContact O-CB 3.28Å; A162-Q166 PolarHBondContact O-N 3.08Å; A162-Q166 VanDerWaalsContact O-N 3.1Å; Q166-V168 PolarHBondContact O-N 3.24Å
167T64.9Low77.6Confident122 Ų122101.6 Ų101.675%0.74855%0.545SS*.  trans-54.3107.2170.149.90000106.5T165 T169T165-T167 VanDerWaalsContact C-N 3.29Å; T165-T167 PolarHBondContact O-N 3.37Å; T167-T169 PolarHBondContact O-N 3.28Å
168V73.1Confident77.7Confident83 Ų83104.1 Ų104.150%0.50355%0.548SS..  trans-60113.1-176.7-173.20000107.1Q166 L172 T173Q166-V168 PolarHBondContact O-N 3.24Å; V168-L172 HydrophobicContact CG1-CB 3.75Å; V168-T173 VanDerWaalsContact CG1-OG1 3.26Å; V168-T173 WeakPolarHBondContact CG1-OG1 3.09Å
169T83.1Confident77.7Confident67 Ų6799 Ų9941%0.41154%0.536SS..  trans-64.8146.5176.763.90000108.6T167 L171 L172 T173T167-T169 PolarHBondContact O-N 3.28Å; T169-L171 CarbonylContact O-C 3.59Å; T169-L171 PolarHBondContact O-N 3.12Å; T169-L172 WeakPolarHBondContact O-CA 3.39Å; T169-L172 WeakPolarHBondContact O-CB 3.42Å; T169-L172 PolarHBondContact O-N 2.61Å; T169-L172 WeakPolarHBondContact OG1-CD1 3.4Å; T169-L172 PolarHBondContact OG1-N 3.21Å; T169-T173 PolarHBondContact O-N 3.38Å; T169-T173 PolarHBondContact O-OG1 2.82Å
170P82.4Confident77.6Confident115 Ų11594.2 Ų94.275%0.74752%0.522SS*.Hα-helixtrans-51.8-31.8179.2-28.834.7000113.3T173 Y174P170-T173 WeakPolarHBondContact O-CB 3.32Å; P170-T173 PolarHBondContact O-N 2.82Å; P170-Y174 PolarHBondContact O-N 2.97Å
171L87.6Confident77.8Confident113 Ų11394.2 Ų94.259%0.59252%0.52SS*.Hα-helixtrans-67.4-45.3172.9-177.361.5000112.6T169 T173 Y174 L175T169-L171 CarbonylContact O-C 3.59Å; T169-L171 PolarHBondContact O-N 3.12Å; L171-T173 VanDerWaalsContact C-N 3.28Å; L171-T173 PolarHBondContact O-N 2.88Å; L171-Y174 WeakPolarHBondContact O-CB 3.37Å; L171-Y174 PolarHBondContact O-N 2.91Å; L171-L175 HydrophobicContact CD1-CG 4.4Å; L171-L175 HydrophobicContact CG-CD1 4.28Å; L171-L175 WeakPolarHBondContact O-CG 3.25Å; L171-L175 PolarHBondContact O-N 3.3Å
172L85.6Confident78.1Confident66 Ų6694.2 Ų94.235%0.34652%0.519SS..Hα-helixtrans-59.5-40.6172.2-10095.4000111.3V168 T169 Y174 L175 N176V168-L172 HydrophobicContact CG1-CB 3.75Å; T169-L172 WeakPolarHBondContact O-CA 3.39Å; T169-L172 WeakPolarHBondContact O-CB 3.42Å; T169-L172 PolarHBondContact O-N 2.61Å; T169-L172 WeakPolarHBondContact OG1-CD1 3.4Å; T169-L172 PolarHBondContact OG1-N 3.21Å; L172-Y174 VanDerWaalsContact C-N 3.33Å; L172-Y174 PolarHBondContact O-N 3.44Å; L172-L175 PolarHBondContact O-N 3.35Å; L172-N176 WeakPolarHBondContact O-CB 3.14Å; L172-N176 PolarHBondContact O-N 3.44Å
173T81.8Confident78.7Confident58 Ų58101 Ų10136%0.35653%0.533SS..Hα-helixtrans-58.9-45.6174.5-47.60000110.9V168 T169 P170 L171 N177V168-T173 VanDerWaalsContact CG1-OG1 3.26Å; V168-T173 WeakPolarHBondContact CG1-OG1 3.09Å; T169-T173 PolarHBondContact O-N 3.38Å; T169-T173 PolarHBondContact O-OG1 2.82Å; P170-T173 WeakPolarHBondContact O-CB 3.32Å; P170-T173 PolarHBondContact O-N 2.82Å; L171-T173 VanDerWaalsContact C-N 3.28Å; L171-T173 PolarHBondContact O-N 2.88Å; T173-N177 WeakPolarHBondContact O-CB 3.48Å; T173-N177 PolarHBondContact O-N 2.85Å; T173-N177 PolarHBondContact O-OD1 3.11Å
174Y88.4Confident79.6Confident134 Ų134103.1 Ų103.153%0.52553%0.532SS..Hα-helixtrans-63.1-43.4176.3176.9-98.7000112.6P170 L171 L172 N177 R178P170-Y174 PolarHBondContact O-N 2.97Å; L171-Y174 WeakPolarHBondContact O-CB 3.37Å; L171-Y174 PolarHBondContact O-N 2.91Å; L172-Y174 VanDerWaalsContact C-N 3.33Å; L172-Y174 PolarHBondContact O-N 3.44Å; Y174-N177 PolarHBondContact O-N 3.48Å; Y174-R178 VanDerWaalsContact O-CB 3.24Å; Y174-R178 WeakPolarHBondContact O-CB 3.19Å; Y174-R178 PolarHBondContact O-N 3.29Å
175L87.1Confident80.4Confident91 Ų91102.8 Ų102.848%0.47653%0.528SS..Hα-helixtrans-66.3-41.9178.9-68.7176000112L171 L172 R178 G179L171-L175 HydrophobicContact CD1-CG 4.4Å; L171-L175 HydrophobicContact CG-CD1 4.28Å; L171-L175 WeakPolarHBondContact O-CG 3.25Å; L171-L175 PolarHBondContact O-N 3.3Å; L172-L175 PolarHBondContact O-N 3.35Å; L175-R178 PolarHBondContact O-N 3.15Å; L175-G179 PolarHBondContact O-N 3.05Å
176N86Confident81.6Confident110 Ų110102.2 Ų102.259%0.58852%0.521SS*.Hα-helixtrans-63.3-43.4175.2-76.1-7000111.5L172 G179 G180L172-N176 WeakPolarHBondContact O-CB 3.14Å; L172-N176 PolarHBondContact O-N 3.44Å; N176-G179 PolarHBondContact O-N 3.06Å; N176-G180 PolarHBondContact O-N 3.47Å; N176-G180 VanDerWaalsContact O-N 3.08Å
177N84.5Confident82.6Confident97 Ų97102 Ų10252%0.51952%0.52SS..Hα-helixtrans-65.3-41.6176.3-70.1-1.2000111.5T173 Y174 G179 G180 D181T173-N177 WeakPolarHBondContact O-CB 3.48Å; T173-N177 PolarHBondContact O-N 2.85Å; T173-N177 PolarHBondContact O-OD1 3.11Å; Y174-N177 PolarHBondContact O-N 3.48Å; N177-G179 PolarHBondContact O-N 3.28Å; N177-G180 CarbonylContact O-C 3.58Å; N177-G180 WeakPolarHBondContact O-CA 3.45Å; N177-G180 PolarHBondContact O-N 3.08Å; N177-G180 VanDerWaalsContact O-N 3.13Å; N177-D181 VanDerWaalsContact O-CG 3.24Å; N177-D181 PolarHBondContact O-N 3.21Å
178R85.4Confident83.6Confident135 Ų135102.2 Ų102.251%0.50951%0.513SS..Hα-helixtrans-63.6-39.5177.5-171.6174.9-178.7-176.31.1112Y174 L175 G180 D181 I182Y174-R178 VanDerWaalsContact O-CB 3.24Å; Y174-R178 WeakPolarHBondContact O-CB 3.19Å; Y174-R178 PolarHBondContact O-N 3.29Å; L175-R178 PolarHBondContact O-N 3.15Å; R178-G180 VanDerWaalsContact C-N 3.34Å; R178-D181 PolarHBondContact O-N 3.34Å; R178-I182 HydrophobicContact CG-CD1 4.24Å; R178-I182 WeakPolarHBondContact O-CD1 3.33Å; R178-I182 VanDerWaalsContact O-CG1 3.22Å; R178-I182 WeakPolarHBondContact O-CG1 3.26Å; R178-I182 PolarHBondContact O-N 3.24Å
179G82.2Confident84.1Confident36 Ų36100.8 Ų100.837%0.37151%0.507SS..Hα-helixtrans-62.3-40.517200000112.6L175 N176 N177 R183L175-G179 PolarHBondContact O-N 3.05Å; N176-G179 PolarHBondContact O-N 3.06Å; N177-G179 PolarHBondContact O-N 3.28Å; G179-R183 PolarHBondContact O-N 2.97Å; G179-R183 VanDerWaalsContact O-N 3.15Å
180G80.7Confident84Confident31 Ų31100.5 Ų100.532%0.3251%0.507SS..Hα-helixtrans-65.6-39.4174.100000113.7N176 N177 R178 R183 R184N176-G180 PolarHBondContact O-N 3.47Å; N176-G180 VanDerWaalsContact O-N 3.08Å; N177-G180 CarbonylContact O-C 3.58Å; N177-G180 WeakPolarHBondContact O-CA 3.45Å; N177-G180 PolarHBondContact O-N 3.08Å; N177-G180 VanDerWaalsContact O-N 3.13Å; R178-G180 VanDerWaalsContact C-N 3.34Å; G180-R183 PolarHBondContact O-N 3.23Å; G180-R184 WeakPolarHBondContact O-CG 3.37Å; G180-R184 PolarHBondContact O-N 3.3Å
181D82.3Confident84Confident79 Ų79101.3 Ų101.342%0.42250%0.495SS..Hα-helixtrans-65.4-42.2177.1-69.6-22.2000112N177 R178 R184 K185N177-D181 VanDerWaalsContact O-CG 3.24Å; N177-D181 PolarHBondContact O-N 3.21Å; R178-D181 PolarHBondContact O-N 3.34Å; D181-R184 PolarHBondContact O-N 3.32Å; D181-R184 IonicContact OD1-CZ 2.61Å; D181-R184 IonicContact OD1-NE 3.21Å; D181-R184 IonicContact OD1-NH2 2.61Å; D181-R184 PolarHBondContact OD1-NH2 2.77Å; D181-K185 WeakPolarHBondContact O-CB 3.1Å; D181-K185 PolarHBondContact O-N 2.78Å
182I82Confident83.7Confident91 Ų91101.3 Ų101.347%0.46749%0.492SS..Hα-helixtrans-61.5-47.9175.7-65.8163.2000109.9R178 R184 K185 D186R178-I182 HydrophobicContact CG-CD1 4.24Å; R178-I182 WeakPolarHBondContact O-CD1 3.33Å; R178-I182 VanDerWaalsContact O-CG1 3.22Å; R178-I182 WeakPolarHBondContact O-CG1 3.26Å; R178-I182 PolarHBondContact O-N 3.24Å; I182-R184 PolarHBondContact O-N 2.98Å; I182-K185 PolarHBondContact O-N 3.02Å; I182-D186 PolarHBondContact O-N 2.86Å
183R81.8Confident83.4Confident196 Ų196106.6 Ų106.674%0.7451%0.508SS*.Hα-helixtrans-60-43.2176.4-84.1-178.871.6-163.82.5112.9G179 G180 D186 E187G179-R183 PolarHBondContact O-N 2.97Å; G179-R183 VanDerWaalsContact O-N 3.15Å; G180-R183 PolarHBondContact O-N 3.23Å; R183-D186 PolarHBondContact O-N 3.2Å; R183-E187 WeakPolarHBondContact O-CB 3.29Å; R183-E187 PolarHBondContact O-N 2.96Å
184R82.8Confident83.2Confident165 Ų165110.7 Ų110.762%0.62352%0.523SS*.Hα-helixtrans-62.5-43177.9-76.5-170.6-72.4171.8-8.9111.9G180 D181 I182 E187 E188G180-R184 WeakPolarHBondContact O-CG 3.37Å; G180-R184 PolarHBondContact O-N 3.3Å; D181-R184 PolarHBondContact O-N 3.32Å; D181-R184 IonicContact OD1-CZ 2.61Å; D181-R184 IonicContact OD1-NE 3.21Å; D181-R184 IonicContact OD1-NH2 2.61Å; D181-R184 PolarHBondContact OD1-NH2 2.77Å; I182-R184 PolarHBondContact O-N 2.98Å; R184-E187 PolarHBondContact O-N 3.43Å; R184-E188 WeakPolarHBondContact O-CB 3.39Å; R184-E188 PolarHBondContact O-N 2.83Å
185K81.7Confident82.5Confident149 Ų149111 Ų11165%0.64853%0.527SS*.Hα-helixtrans-66.2-38.5178.5-171.1175.3-179.9177.50112.4D181 I182 S189D181-K185 WeakPolarHBondContact O-CB 3.1Å; D181-K185 PolarHBondContact O-N 2.78Å; I182-K185 PolarHBondContact O-N 3.02Å; K185-S189 VanDerWaalsContact O-CB 3.27Å; K185-S189 WeakPolarHBondContact O-CB 3.4Å; K185-S189 PolarHBondContact O-N 2.57Å; K185-S189 PolarHBondContact O-OG 3.26Å
186D86.5Confident81.7Confident95 Ų95115 Ų11551%0.50854%0.536SS..Hα-helixtrans-69.4-38.6176.7-75.4-16.4000112.1I182 R183 S189 S190I182-D186 PolarHBondContact O-N 2.86Å; R183-D186 PolarHBondContact O-N 3.2Å; D186-S189 PolarHBondContact O-N 2.9Å; D186-S190 WeakPolarHBondContact O-CB 3.24Å; D186-S190 PolarHBondContact O-N 2.84Å; D186-S190 PolarHBondContact O-OG 2.85Å
187E85.1Confident80.7Confident109 Ų109116.6 Ų116.651%0.50954%0.54SS..Hα-helixtrans-69.5-41.5177.2-158-177.1150.900111.7R183 R184 S190 R191R183-E187 WeakPolarHBondContact O-CB 3.29Å; R183-E187 PolarHBondContact O-N 2.96Å; R184-E187 PolarHBondContact O-N 3.43Å; E187-S190 WeakPolarHBondContact O-CB 3.45Å; E187-S190 PolarHBondContact O-N 2.89Å; E187-R191 WeakPolarHBondContact O-CG 3.36Å; E187-R191 PolarHBondContact O-N 3.09Å; E187-R191 IonicContact OE1-NH1 3.53Å; E187-R191 PolarHBondContact OE1-NH1 3.48Å
188E84.8Confident79.6Confident127 Ų127113.7 Ų113.759%0.59353%0.533SS*.Hα-helixtrans-64.7-41.7173.6-173.3170.4-159.900112.1R184 S190 R191 H192R184-E188 WeakPolarHBondContact O-CB 3.39Å; R184-E188 PolarHBondContact O-N 2.83Å; E188-S190 VanDerWaalsContact C-N 3.28Å; E188-S190 PolarHBondContact O-N 3.28Å; E188-R191 PolarHBondContact O-N 3.31Å; E188-H192 PolarHBondContact O-N 2.89Å
189S83.5Confident78.3Confident53 Ų53111 Ų11137%0.37153%0.528SS..Hα-helixtrans-62.1-37.2174.1-63.10000111.8K185 D186 H192 R193K185-S189 VanDerWaalsContact O-CB 3.27Å; K185-S189 WeakPolarHBondContact O-CB 3.4Å; K185-S189 PolarHBondContact O-N 2.57Å; K185-S189 PolarHBondContact O-OG 3.26Å; D186-S189 PolarHBondContact O-N 2.9Å; S189-H192 PolarHBondContact O-N 2.86Å; S189-R193 WeakPolarHBondContact O-CG 3.28Å; S189-R193 PolarHBondContact O-N 3.06Å
190S82.8Confident77Confident61 Ų61111.7 Ų111.743%0.42753%0.531SS..Hα-helixtrans-67.8-42175.7-61.80000111.9D186 E187 E188 R193 Q194D186-S190 WeakPolarHBondContact O-CB 3.24Å; D186-S190 PolarHBondContact O-N 2.84Å; D186-S190 PolarHBondContact O-OG 2.85Å; E187-S190 WeakPolarHBondContact O-CB 3.45Å; E187-S190 PolarHBondContact O-N 2.89Å; E188-S190 VanDerWaalsContact C-N 3.28Å; E188-S190 PolarHBondContact O-N 3.28Å; S190-R193 PolarHBondContact O-N 3.32Å; S190-Q194 WeakPolarHBondContact O-CG 3.43Å; S190-Q194 PolarHBondContact O-N 3.11Å
191R82.1Confident75.9Confident131 Ų131113.2 Ų113.249%0.49454%0.536SS..Hα-helixtrans-61.9-41.8173-71.7-172.6-69.5-108.22.7112E187 E188 R193 Q194 F195E187-R191 WeakPolarHBondContact O-CG 3.36Å; E187-R191 PolarHBondContact O-N 3.09Å; E187-R191 IonicContact OE1-NH1 3.53Å; E187-R191 PolarHBondContact OE1-NH1 3.48Å; E188-R191 PolarHBondContact O-N 3.31Å; R191-R193 PolarHBondContact O-N 3.48Å; R191-Q194 PolarHBondContact O-N 3.03Å; R191-F195 PolarHBondContact O-N 3.39Å
192H79.7Confident74.6Confident114 Ų114111.9 Ų111.953%0.52854%0.537SS..Hα-helixtrans-65.7-38.4176.7-167.974.7000112.2E188 S189 F195 R196E188-H192 PolarHBondContact O-N 2.89Å; S189-H192 PolarHBondContact O-N 2.86Å; H192-F195 PolarHBondContact O-N 3.11Å; H192-R196 WeakPolarHBondContact NE2-CD 3.31Å; H192-R196 WeakPolarHBondContact O-CG 3.5Å; H192-R196 PolarHBondContact O-N 3Å; H192-R196 VanDerWaalsContact O-N 3.09Å
193R79.9Confident73.4Confident177 Ų177112.7 Ų112.767%0.66854%0.541SS*.Hα-helixtrans-62.5-43.8172.9-74.6176.7-174.9-156.33.3111.7S189 S190 R191 R196 Q197S189-R193 WeakPolarHBondContact O-CG 3.28Å; S189-R193 PolarHBondContact O-N 3.06Å; S190-R193 PolarHBondContact O-N 3.32Å; R191-R193 PolarHBondContact O-N 3.48Å; R193-R196 PolarHBondContact O-N 3.29Å; R193-Q197 WeakPolarHBondContact O-CG 3.27Å; R193-Q197 PolarHBondContact O-N 3.38Å
194Q77.4Confident72.1Confident144 Ų144111 Ų11167%0.67354%0.539SS*.Hα-helixtrans-63.8-43.1177.8-72.5-176.85.500112.3S190 R191 R196 Q197 G198S190-Q194 WeakPolarHBondContact O-CG 3.43Å; S190-Q194 PolarHBondContact O-N 3.11Å; R191-Q194 PolarHBondContact O-N 3.03Å; Q194-R196 PolarHBondContact O-N 3.36Å; Q194-Q197 PolarHBondContact O-N 2.96Å; Q194-G198 PolarHBondContact O-N 3.2Å
195F74Confident70.8Confident139 Ų139111.3 Ų111.361%0.6155%0.545SS*.Hα-helixtrans-64.4-40178.3-170.2-102.4000112.5R191 H192 G198 N199R191-F195 PolarHBondContact O-N 3.39Å; H192-F195 PolarHBondContact O-N 3.11Å; F195-G198 PolarHBondContact O-N 3.09Å; F195-N199 WeakPolarHBondContact CE1-ND2 3.46Å; F195-N199 WeakPolarHBondContact CZ-ND2 3.43Å; F195-N199 PolarHBondContact O-N 2.99Å; F195-N199 VanDerWaalsContact O-N 3.15Å
196R70.8Confident69.4Low175 Ų175109.5 Ų109.566%0.6655%0.546SS*.Hα-helixtrans-66.1-37.1175.2-72.4-173.2121.3-135.9-2.9112.6H192 R193 Q194 A200H192-R196 WeakPolarHBondContact NE2-CD 3.31Å; H192-R196 WeakPolarHBondContact O-CG 3.5Å; H192-R196 PolarHBondContact O-N 3Å; H192-R196 VanDerWaalsContact O-N 3.09Å; R193-R196 PolarHBondContact O-N 3.29Å; Q194-R196 PolarHBondContact O-N 3.36Å; R196-A200 VanDerWaalsContact O-CB 3.25Å; R196-A200 WeakPolarHBondContact O-CB 3.34Å; R196-A200 PolarHBondContact O-N 3.08Å; R196-A200 VanDerWaalsContact O-N 3.13Å
197Q64.8Low67.9Low144 Ų144111.8 Ų111.867%0.67356%0.558SS**Hα-helixtrans-72.2-37.1176.4-71.1-177.422.200112.3R193 Q194 S201R193-Q197 WeakPolarHBondContact O-CG 3.27Å; R193-Q197 PolarHBondContact O-N 3.38Å; Q194-Q197 PolarHBondContact O-N 2.96Å; Q197-S201 WeakPolarHBondContact O-CB 3.48Å; Q197-S201 PolarHBondContact O-N 3.47Å; Q197-S201 VanDerWaalsContact O-N 3.17Å; Q197-S201 PolarHBondContact O-OG 3.06Å
198G60.5Low66.2Low36 Ų36115.2 Ų115.237%0.37157%0.571SS.*Hα-helixtrans-59.5-49.7174.800000112.5Q194 F195 S201 A202Q194-G198 PolarHBondContact O-N 3.2Å; F195-G198 PolarHBondContact O-N 3.09Å; G198-S201 PolarHBondContact O-N 2.95Å; G198-S201 PolarHBondContact O-OG 2.83Å; G198-A202 PolarHBondContact O-N 3.15Å
199N58.2Low64.4Low78 Ų78114.5 Ų114.542%0.41758%0.575SS.*Hα-helixtrans-75.4-32-177.8-69.4-20.6000113.6F195 S201 A202 I203F195-N199 WeakPolarHBondContact CE1-ND2 3.46Å; F195-N199 WeakPolarHBondContact CZ-ND2 3.43Å; F195-N199 PolarHBondContact O-N 2.99Å; F195-N199 VanDerWaalsContact O-N 3.15Å; N199-S201 PolarHBondContact O-N 2.82Å; N199-A202 PolarHBondContact O-N 3.45Å; N199-I203 WeakPolarHBondContact O-CG1 3.13Å; N199-I203 PolarHBondContact O-N 3.41Å
200A56.5Low62.7Low52 Ų52118.3 Ų118.343%0.4359%0.591SS.*Hα-helixtrans-68.5-24.417400000113R196 K204R196-A200 VanDerWaalsContact O-CB 3.25Å; R196-A200 WeakPolarHBondContact O-CB 3.34Å; R196-A200 PolarHBondContact O-N 3.08Å; R196-A200 VanDerWaalsContact O-N 3.13Å; A200-K204 WeakPolarHBondContact O-CG 3.32Å
201S56.3Low61.1Low62 Ų62125.5 Ų125.543%0.43462%0.615SS.*Hα-helixtrans-86.2-26.7176.675.90000113.5Q197 G198 N199Q197-S201 WeakPolarHBondContact O-CB 3.48Å; Q197-S201 PolarHBondContact O-N 3.47Å; Q197-S201 VanDerWaalsContact O-N 3.17Å; Q197-S201 PolarHBondContact O-OG 3.06Å; G198-S201 PolarHBondContact O-N 2.95Å; G198-S201 PolarHBondContact O-OG 2.83Å; N199-S201 PolarHBondContact O-N 2.82Å
202A56.4Low59.2Low52 Ų52124.3 Ų124.343%0.4363%0.627SS.*Hα-helixtrans-74.6-39.817600000112.5G198 N199 K204 K205G198-A202 PolarHBondContact O-N 3.15Å; N199-A202 PolarHBondContact O-N 3.45Å; A202-K204 VanDerWaalsContact C-N 3.28Å; A202-K204 PolarHBondContact O-N 3.48Å; A202-K205 PolarHBondContact O-N 3.09Å
203I55.1Low57.7Low107 Ų107125.4 Ų125.455%0.54964%0.641SS.*THydrogen-bonded Turntrans-70-24.2-179.1-64.6166.8000112.3N199 K205 L207N199-I203 WeakPolarHBondContact O-CG1 3.13Å; N199-I203 PolarHBondContact O-N 3.41Å; I203-K205 VanDerWaalsContact C-N 3.33Å; I203-K205 PolarHBondContact O-N 3.05Å; I203-L207 HydrophobicContact CG2-CD1 4.14Å
204K55.7Low56Low160 Ų160127.4 Ų127.470%0.69665%0.649SS**THydrogen-bonded Turntrans-79.9-11.1177.5-70.6179.7-179-178.30114.1A200 A202A200-K204 WeakPolarHBondContact O-CG 3.32Å; A202-K204 VanDerWaalsContact C-N 3.28Å; A202-K204 PolarHBondContact O-N 3.48Å
205K54.8Low54.1Low173 Ų173124.8 Ų124.875%0.75265%0.646SS**THydrogen-bonded Turntrans-100.7-11.4-177.7-68.9-178.8-179.6179.10113.8A202 I203A202-K205 PolarHBondContact O-N 3.09Å; I203-K205 VanDerWaalsContact C-N 3.33Å; I203-K205 PolarHBondContact O-N 3.05Å
206T53.4Low53.2Low111 Ų111126 Ų12668%0.68165%0.653SS**SBendtrans-112-2.1-17657.20000114.9
207L53.3Low52.2Low142 Ų142123.3 Ų123.374%0.74366%0.658SS**SBendtrans-105.823.2177.2-76.2163.4000113.6I203I203-L207 HydrophobicContact CG2-CD1 4.14Å
208K50.8Low51.7Low181 Ų181122 Ų12279%0.78766%0.662SS**SBendtrans-118.842.7178-70.3-176.1171.9-177.40111.9
209V47.3Very low51.1Low113 Ų113126.7 Ų126.769%0.68568%0.683SS**SBendtrans-143.4134.1169.3-172.80000105.7
210D46.4Very low50.7Low132 Ų132131.7 Ų131.771%0.70670%0.701SS**  trans73.582176.8-55.6-30.4000118.5
211K49.3Very low50.2Low212 Ų212140.5 Ų140.592%0.92272%0.724SS**  trans-16171.8141.4-94.4130.1-15894.60110.3
212S43.1Very low49.7Very low107 Ų107141.9 Ų141.975%0.74873%0.731SS**  trans-104.9151.515468.10000107.7
213V47.1Very low49.3Very low136 Ų136146.8 Ų146.882%0.82475%0.745SS**  trans77.588.9177.9-159.70000114.8
214R45.2Very low48.9Very low220 Ų220147.4 Ų147.483%0.8375%0.749SS**  164.5117.299-158.3164.3-179.1-162.1-0.9110.2
215S37.9Very low48.7Very low88 Ų88148.1 Ų148.162%0.61576%0.759SS**  trans-50.8141.9168.652.20000113.8
216H54.4Low48.6Very low166 Ų166148 Ų14877%0.76976%0.758SS**  -167.7137.4128.7-80.4-56.3000109.2
217P49.5Very low48.2Very low118 Ų118154.7 Ų154.777%0.76677%0.771SS**  trans-109.9-163.4-169.447.8-37.2000111.8
218P55.1Low47.9Very low115 Ų115155.1 Ų155.175%0.74777%0.772SS**  -123.6163.7-106.432.1-11000114.9
219V46.6Very low47.4Very low135 Ų135150.9 Ų150.982%0.81877%0.766SS**  trans-143.4101.5162.2-173.60000113.5
220K50.6Low47.4Very low184 Ų184151.4 Ų151.480%0.877%0.773SS**  trans38.2120132.5-51-179.8-179.9179.60120.2
221R47.2Very low46.8Very low237 Ų237152.4 Ų152.489%0.89478%0.778SS**  173.7161.488.7-89.1-147.7-130.3128.34.8113.7
222P45.3Very low46.5Very low90 Ų90153.6 Ų153.658%0.58478%0.777SS**  trans-137.6-179.9-136.246.1-30.2000117.7
223H48.1Very low46.5Very low155 Ų155155.8 Ų155.872%0.71878%0.779SS**  trans70144.9150.7-63-51.8000119.3
224D45.8Very low46Very low120 Ų120155.1 Ų155.164%0.64278%0.779SS**  cis-172.1130.7-6.4-92.5-26.9000106.7
225I52.5Low45.6Very low175 Ų175152.7 Ų152.790%0.89778%0.777SS**  trans-141.2119.9144.2-59.9-175.1000109.1
226K52.1Low45.4Very low171 Ų171154.7 Ų154.774%0.74379%0.785SS**  trans-63129.2-174.4-59.9161.5-178.4175.70112
227R45.9Very low44.9Very low251 Ų251152 Ų15295%0.94779%0.785SS**  trans-121.6101149.5-75.6-169.6-179.5-165.50.4107.2
228I45.6Very low44.2Very low151 Ų151155 Ų15577%0.77479%0.794SS**  trans-85.3133.2173.5-69.2167.2000107.6
229S41.5Very low43.8Very low93 Ų93158.1 Ų158.165%0.6580%0.796SS**  trans-58.2157.817757.70000114
230C45.5Very low43.4Very low123 Ų123159.7 Ų159.783%0.83180%0.795SS**  -171.2105.6116.6-102.50000110.6
231D35.7Very low42.9Very low154 Ų154158.3 Ų158.382%0.82480%0.796SS**  trans-68.3120.4145.7-74.6-47.8000108
232R43Very low42.8Very low236 Ų236151.4 Ų151.489%0.89178%0.782SS**  trans174.8149.6136.8-100.1179.3-94.1-168.4-5.5110.4
233I43.1Very low42.4Very low154 Ų154154 Ų15479%0.7979%0.786SS**  trans93.288.2163.9-39.8-174.2000115.4
234C35.2Very low42.2Very low121 Ų121155.3 Ų155.382%0.81879%0.792SS**  trans-59.6133.1138.2-56.70000108.2
235E38.2Very low41.7Very low170 Ų170156.7 Ų156.779%0.79480%0.799SS**  trans179.8123133.2-98.8174.6-165.100111.3
236V33.7Very low41.2Very low130 Ų130153.3 Ų153.379%0.78879%0.791SS**  trans46.6101.4132.4-169.60000117.4
237S42.3Very low40.4Very low109 Ų109151 Ų15176%0.76279%0.791SS**  169.5109.8129.439.40000110.5
238N34.6Very low40.5Very low181 Ų181146.9 Ų146.997%0.96878%0.783SS**  trans-109105.4161.5-84.7-38.1000107.4
239K46.5Very low40.4Very low181 Ų181146 Ų14679%0.78778%0.78SS**  trans-129.1120.6169.8-138.7177.9-179.2-177.10107.2
240E40.3Very low40.3Very low168 Ų168148.9 Ų148.979%0.78579%0.787SS**  trans52.6106.8152.5-71.6169.5129.500120.4
241N40.1Very low40.3Very low155 Ų155150.3 Ų150.383%0.82979%0.792SS**  -7.3163.3125.7-98.4-29.9000117.8
242P43.1Very low40.4Very low91 Ų91146.2 Ų146.259%0.59179%0.787SS**  cis-151.2-177.317.338.7-15.9000118.5
243H38.1Very low40.3Very low145 Ų145141.7 Ų141.767%0.67179%0.785SS**  trans65.5137.5153.7-66.1-61.7000118
244H44.1Very low40.1Very low182 Ų182141.5 Ų141.584%0.84379%0.785SS**  -161.5160.560.8-74.4-88.1000113.5
245N35.5Very low40.9Very low149 Ų149140.4 Ų140.480%0.79778%0.777SS**  trans-91.2157.2-173.7-58-31.2000114.4
246S40.9Very low41.1Very low104 Ų104140.8 Ų140.873%0.72778%0.776SS**  trans169.5114131.254.40000109.3
247T36.1Very low41.5Very low123 Ų123142 Ų14276%0.75578%0.775SS**  53.5117.893.8-29.90000111.7
248E48.4Very low41.7Very low164 Ų164146.1 Ų146.177%0.76678%0.782SS**  -178.1146.888.3-82.8166.5-158.400112.6
249D41.9Very low42Very low133 Ų133144.8 Ų144.871%0.71177%0.768SS**  trans68.1109.1140.5-63.2-13.2000126.2
250L39.7Very low41.7Very low153 Ų153144.6 Ų144.680%0.80178%0.775SS**  38.3119.3121.8-58176.3000120.5
251T45.3Very low41.9Very low154 Ų154144.1 Ų144.195%0.94577%0.771SS**  trans168.3141.5136.842.40000106.2
252G38.4Very low41.9Very low68 Ų68144.2 Ų144.270%0.70177%0.771SS**  cis14197.319.900000107.2
253V40.3Very low42Very low140 Ų140145.5 Ų145.585%0.84878%0.782SS**  trans50.3112147-1690000120.3
254D39.8Very low42.3Very low150 Ų150146.9 Ų146.980%0.80279%0.789SS**  trans-1.4178.1133.3-91.2-35.8000121.1
255P52.1Low42.2Very low98 Ų98148 Ų14864%0.63679%0.791SS**  cis-141.2179.1-15.527.8-4.1000114.4
256K42.2Very low42.4Very low178 Ų178148 Ų14877%0.77479%0.79SS**  159.9127121-88.2178.1-179.8173.40115.9
257M42.8Very low42.6Very low156 Ų156150 Ų15077%0.76879%0.791SS**  trans58.7119.8134.7-70164.55300120.7
258Q46.7Very low42.7Very low196 Ų196150.3 Ų150.392%0.91679%0.793SS**  -166.5152.894.5-98.2179.517.100112.2
259K39Very low42.8Very low153 Ų153149.8 Ų149.867%0.66580%0.795SS**  trans-121.7137.9-151.2166.7-174.8-172.8169.70107.7K261K259-K261 VanDerWaalsContact CE-CE 3.49Å
260N42.1Very low43.4Very low177 Ų177148.4 Ų148.495%0.94779%0.787SS**  trans-143130.9156.5-79.7-30000110.1
261K43.3Very low44.4Very low158 Ų158145.6 Ų145.669%0.68779%0.787SS**  trans-98.2163.8-166.9-71.9168.41571770112.5K259K259-K261 VanDerWaalsContact CE-CE 3.49Å
262N40.9Very low45.2Very low156 Ų156144.4 Ų144.483%0.83478%0.775SS**  trans126.7127.4146.9-67.4-9.4000110.8
263S45.5Very low46Very low118 Ų118148.6 Ų148.683%0.82578%0.776SS**  cis-157.8138.21138.60000110
264E42.6Very low46.5Very low174 Ų174150.4 Ų150.481%0.81377%0.772SS**  trans-83.6137.9178.5-66168.9160.500111.1
265K43Very low47.2Very low205 Ų205148.9 Ų148.989%0.89177%0.771SS**  trans-114.6102.3151.4-86.9-175.7177.7-179.40106.9
266L40.6Very low47.3Very low149 Ų149148.9 Ų148.978%0.7878%0.779SS**  trans-70.6126169.1-76.4160.5000109
267I44.1Very low47.6Very low147 Ų147148.7 Ų148.775%0.75478%0.783SS**  trans-101.4104.4161.7-61.3172.1000105.6L269I267-L269 HydrophobicContact CG2-CD2 4.2Å; I267-L269 HydrophobicContact CG2-CG 4.18Å
268T37.4Very low47.8Very low129 Ų129149.8 Ų149.879%0.79179%0.786SS**  trans-63.5121164.6-560000108.2
269L51.4Low47.8Very low153 Ų153145.6 Ų145.680%0.80178%0.779SS**  trans-113.2131.9165.1-70.2177.6000109.3I267I267-L269 HydrophobicContact CG2-CD2 4.2Å; I267-L269 HydrophobicContact CG2-CG 4.18Å
270D55Low47.9Very low104 Ų104143.2 Ų143.256%0.55678%0.782SS**  trans-76.2139.4-162-175.319.4000112.4N272D270-N272 VanDerWaalsContact CG-ND2 3.31Å; D270-N272 PolarHBondContact O-N 3.23Å; D270-N272 VanDerWaalsContact O-N 3.14Å; D270-N272 PolarHBondContact OD1-ND2 3.1Å; D270-N272 WeakPolarHBondContact OD2-CB 3.06Å; D270-N272 PolarHBondContact OD2-ND2 2.98Å
271A59.2Low47.6Very low95 Ų95140.3 Ų140.379%0.78577%0.774SS**THydrogen-bonded Turntrans-77.89.9-178.400000113.5
272N63.3Low47.6Very low129 Ų129142.3 Ų142.369%0.6979%0.785SS**THydrogen-bonded Turntrans-98.46.1-175.9-59-35.9000114.2D270D270-N272 VanDerWaalsContact CG-ND2 3.31Å; D270-N272 PolarHBondContact O-N 3.23Å; D270-N272 VanDerWaalsContact O-N 3.14Å; D270-N272 PolarHBondContact OD1-ND2 3.1Å; D270-N272 WeakPolarHBondContact OD2-CB 3.06Å; D270-N272 PolarHBondContact OD2-ND2 2.98Å
273E55.6Low47.4Very low155 Ų155146.3 Ų146.372%0.72479%0.789SS**SBendtrans-95.611.8-177.2-151.4174.8170.600114.3
274F50.4Low47.1Very low178 Ų178146.4 Ų146.478%0.78179%0.787SS**  trans-129.885.8177.5-74.9-82.2000113.1A276F274-A276 VanDerWaalsContact C-N 3.27Å; F274-A276 PolarHBondContact O-N 2.84Å
275P55Low47Very low119 Ų119145.2 Ų145.277%0.77379%0.786SS**G310 helixtrans-77-2.2-179.7-12.228.3000114.9M277P275-M277 PolarHBondContact O-N 3.22Å
276A53Low46.6Very low98 Ų98146.4 Ų146.481%0.8179%0.785SS**G310 helixtrans-906.5-167.600000115.5F274F274-A276 VanDerWaalsContact C-N 3.27Å; F274-A276 PolarHBondContact O-N 2.84Å
277M49Very low46.7Very low173 Ų173144 Ų14485%0.85278%0.781SS**G310 helixtrans-118.99.5-175.4-74.7-176.659.600115P275P275-M277 PolarHBondContact O-N 3.22Å
278Q45.8Very low46.6Very low179 Ų179142.4 Ų142.484%0.83678%0.778SS**  trans-134.277-174.8-65.2-177.84.900112.1
279S46.8Very low46.8Very low108 Ų108142 Ų14276%0.75577%0.771SS**  trans-16881.3151.342.20000108.1
280S43.1Very low46.5Very low104 Ų104142.8 Ų142.873%0.72777%0.77SS**  47.399.789.573.70000114
281C34.7Very low45.5Very low116 Ų116142.8 Ų142.878%0.78478%0.777SS**  42.596.5122.8-52.10000117.4
282Q44.2Very low44.6Very low199 Ų199143 Ų14393%0.9377%0.773SS**  trans-165.9116.5143.8-104.7154.545.600110.8
283R35.2Very low43.5Very low240 Ų240141.6 Ų141.691%0.90677%0.773SS**  trans-90.7157.6164-73.5-174.8172.2-149.4-1.4108.9
284P40.8Very low42.6Very low120 Ų120146.5 Ų146.578%0.77979%0.785SS**  -151.7157.7105.833.1-13.2000118
285N38.7Very low42.2Very low149 Ų149142.6 Ų142.680%0.79778%0.778SS**  trans39.7117.7147-77.1-23.2000122.1
286R36.6Very low41.5Very low231 Ų231142.7 Ų142.787%0.87278%0.781SS**  81.710873.8-166.8-173.3-143.6-159.17.7113.4
287S41.6Very low40.8Very low99 Ų99147.7 Ų147.769%0.69279%0.785SS**  169.2137.1111.863.20000113.1
288T42.6Very low40.2Very low112 Ų112150.9 Ų150.969%0.68779%0.787SS**  trans50.7132.8141.339.90000120.1
289N41.4Very low39.8Very low121 Ų121147 Ų14765%0.64779%0.786SS**  cis-172.6143.430.1-100.8-28.8000110.2
290Q43.9Very low39.6Very low169 Ų169146.9 Ų146.979%0.7979%0.785SS**  trans53.6140.6133.9-47.5-162.66900120.2
291C35.2Very low39.2Very low105 Ų105149.6 Ų149.671%0.70979%0.792SS**  cis-166.4150.726.8-150.20000113
292S40.6Very low39.6Very low99 Ų99151.9 Ų151.969%0.69279%0.794SS**  trans30.9131.8148.158.80000123.4
293S39.7Very low39.6Very low99 Ų99146.8 Ų146.869%0.69278%0.78SS**  cis91.6118.435.4174.60000115.8
294W36.3Very low39.8Very low259 Ų259142.9 Ų142.998%0.98178%0.778SS**  trans-131.5143.4145-81.269000109.9
295P42.9Very low39.9Very low95 Ų95141.3 Ų141.362%0.61778%0.775SS**  trans-115.1156.1-160.932.8-15.3000115.5
296S38.7Very low40Very low121 Ų121140.6 Ų140.685%0.84678%0.776SS**  trans-97.7128166.7-179.60000109.5
297F39.2Very low40.3Very low203 Ų203134.1 Ų134.189%0.8977%0.766SS**  trans-84.6130.6172.4-86.6-89.2000111
298R36.5Very low40.5Very low240 Ų240138.2 Ų138.291%0.90677%0.774SS**  trans-127.1137.9159.9-173.3-178.4-111.2-112.82.8107.1
299A36.4Very low40.6Very low97 Ų97142.3 Ų142.380%0.80278%0.783SS**  trans-59.4150.4-179.900000113.8
300S43.3Very low40.9Very low106 Ų106142.2 Ų142.274%0.74179%0.788SS**  trans-139.6122.1163.549.20000109.2
301N35.3Very low40.7Very low162 Ų162137.9 Ų137.987%0.86679%0.79SS**  trans-64.7143.2166.8-67.3-27.9000110.3
302I43.6Very low41Very low164 Ų164137.4 Ų137.484%0.84179%0.793SS**  trans-132.1145.5158.7-67.8179.2000107.9
303S43.4Very low41.1Very low91 Ų91138.1 Ų138.164%0.63680%0.798SS**  trans-96.1164.1-155.8440000115.8
304D39.6Very low41.2Very low159 Ų159137.4 Ų137.485%0.8580%0.798SS**  trans62.4119.4138.7-64.6-24.9000123.2
305A41.5Very low41.5Very low86 Ų86130.6 Ų130.671%0.71179%0.79SS**  172.7106.2128.700000108.8
306T41.4Very low41.5Very low134 Ų134138.1 Ų138.182%0.82281%0.806SS**  44.8129.497.562.10000113.6
307S44Very low41.7Very low96 Ų96137.4 Ų137.467%0.67180%0.801SS**  cis-177173.12946.90000110.2
308E44.1Very low42.1Very low184 Ų184133.5 Ų133.586%0.8680%0.799SS**  trans90.3138.7159-53-60130.100120
309K45.7Very low42.5Very low198 Ų198125.9 Ų125.986%0.86179%0.788SS**  trans-127.3-169.5-149.4-136.1-163.31791760110.3
310P47.8Very low43.1Very low119 Ų119128.6 Ų128.677%0.77379%0.787SS**  -122.6-171.6-126.438.3-15.9000115.1
311G39.5Very low43.1Very low79 Ų79131.7 Ų131.781%0.81479%0.79SS**  trans-160.9139.5174.500000114.7
312A41.1Very low43.7Very low94 Ų94128.3 Ų128.378%0.77778%0.784SS**  trans-75.2161.9-164.100000118
313S43Very low43.8Very low114 Ų114127.7 Ų127.780%0.79778%0.783SS**  147.2144.8105.161.80000116.3
314A42.2Very low44Very low85 Ų85127.7 Ų127.770%0.70278%0.783SS**  trans82.296.6144.400000122.1
315S42.3Very low44.6Very low115 Ų115129.5 Ų129.580%0.80478%0.783SS**  39.4125.5115.4-45.50000121.1
316R43.4Very low44.7Very low253 Ų253130.7 Ų130.796%0.95578%0.784SS**  -174.6156.3120.6-101.3163.6166.2-176.8-4.8113.6
317S42.8Very low44.6Very low107 Ų107134.2 Ų134.275%0.74879%0.788SS**  trans-112.6178.9-148.642.70000114.3
318S48.3Very low44.5Very low120 Ų120133.9 Ų133.984%0.83979%0.785SS**  trans104.8142.5162.475.50000115.3
319A43.8Very low44.1Very low81 Ų81136.2 Ų136.267%0.66979%0.786SS**  cis-178.5171.8-16.400000106.9
320I49.1Very low43.8Very low154 Ų154135.1 Ų135.179%0.7979%0.788SS**  trans86.4130.2160.7-51.3165.3000114.6
321E42.6Very low43.4Very low171 Ų171133.6 Ų133.680%0.79978%0.78SS**  cis-163.2129.9-4.7-109.3173.917600105.3
322A48.3Very low43.2Very low91 Ų91136.8 Ų136.875%0.75278%0.779SS**  64.3104.794.500000116.4
323D45.8Very low43.1Very low150 Ų150137.8 Ų137.880%0.80278%0.78SS**  -165.1109119-116.8-22.9000114
324S48.1Very low42.7Very low91 Ų91137.8 Ų137.864%0.63678%0.78SS**  36.3128.7119.9-43.70000119
325K51.6Low42.9Very low197 Ų197138.5 Ų138.586%0.85778%0.78SS**  cis-171160.727.1-102.9158.9-175.8174.80110.9
326P44.5Very low42.7Very low112 Ų112141.9 Ų141.973%0.72778%0.783SS**  trans-112.1168.4-171.140.4-29.4000114.1
327F39.2Very low42.4Very low208 Ų208137 Ų13791%0.91278%0.776SS**  trans-153.4142.4148-118.5-84.3000113.4
328S41.8Very low42.2Very low88 Ų88142.7 Ų142.762%0.61578%0.781SS**  trans-55.3137.4-169.8510000117.4
329R35.8Very low41.9Very low233 Ų233142.1 Ų142.188%0.87977%0.772SS**  40.611791.4-74.9-166.2-165.6-1593.6115.7
330I39.8Very low41.6Very low175 Ų175148.3 Ų148.390%0.89778%0.778SS**  -153.3140123.8-86.7147.7000107.1
331S37.8Very low41.4Very low88 Ų88147.4 Ų147.462%0.61577%0.773SS**  trans-90165.2-165.4-36.20000114.8
332D37Very low41.2Very low145 Ų145146.5 Ų146.578%0.77577%0.774SS**  trans60.9112.8141.4-53.4-26.1000120.8
333S37.7Very low40.7Very low115 Ų115150.2 Ų150.280%0.80478%0.78SS**  165.3124.799.8-78.90000113
334S35.6Very low40.3Very low114 Ų114147.7 Ų147.780%0.79777%0.774SS**  trans17.5119.7136.6-169.50000118.9
335S45.5Very low40Very low100 Ų100152 Ų15270%0.69978%0.784SS**  168.8125.2110.743.50000111.7
336E37.4Very low39.4Very low186 Ų186152.7 Ų152.787%0.86979%0.788SS**  trans21.5114140.2-56.3178.8152.200118.2
337N39Very low39.2Very low151 Ų151156.1 Ų156.181%0.80779%0.794SS**  trans-137.495.1153.7-99.6-24.9000110.7V339N337-V339 HydrophobicContact CB-CG2 4.48Å; N337-V339 PolarHBondContact O-N 3.09Å
338R37.1Very low39Very low227 Ų227149.1 Ų149.186%0.85778%0.78SS**  trans-63109.2156.2-89.2175.3140.5171.8-2.9108
339V43.5Very low39.1Very low107 Ų107154.7 Ų154.765%0.64880%0.796SS**  trans-108.1102.4167.1-171.20000108.3N337 I341N337-V339 HydrophobicContact CB-CG2 4.48Å; N337-V339 PolarHBondContact O-N 3.09Å; V339-I341 HydrophobicContact CG1-CD1 4.02Å; V339-I341 HydrophobicContact CG1-CG1 3.53Å
340R37.3Very low39.1Very low212 Ų212153.1 Ų153.180%0.880%0.796SS**  trans-77.3117.3161-69.2178.4173.9164.9-3.6106.7
341I44Very low39.1Very low134 Ų134150.7 Ų150.769%0.68779%0.794SS**  trans-109.3105.8171.8-46-178.9000107.5V339 L343V339-I341 HydrophobicContact CG1-CD1 4.02Å; V339-I341 HydrophobicContact CG1-CG1 3.53Å; I341-L343 HydrophobicContact CG2-CD1 4.47Å
342N37.7Very low39.5Very low153 Ų153152.3 Ų152.382%0.81881%0.805SS**  trans-73.1124.1164.6-77.6-35.5000108.1
343L37.8Very low39.5Very low169 Ų169154 Ų15489%0.88581%0.809SS**  trans-90.4112.4167.8-113.377.2000108.7I341I341-L343 HydrophobicContact CG2-CD1 4.47Å
344S39.1Very low39.5Very low96 Ų96154.9 Ų154.967%0.67181%0.814SS**  trans-136.7129.8158.355.80000108.5
345E40.6Very low39.5Very low182 Ų182153.7 Ų153.785%0.8581%0.811SS**  trans69.8104.9160.7-64.2172.3157.100117.5
346F40.2Very low39.3Very low211 Ų211155.9 Ų155.993%0.92582%0.82SS**  -153.6119.1122.1-134-100.5000111.1
347E38.6Very low39.6Very low185 Ų185156.3 Ų156.386%0.86482%0.819SS**  trans-70.1142.1172.7-73.7179.7127.700111.6
348G35.3Very low39.7Very low60 Ų60155.3 Ų155.362%0.61982%0.821SS**  trans81.7106.5135.300000117.6
349H43.4Very low39.7Very low205 Ų205150.2 Ų150.295%0.94982%0.815SS**  -154.3133.8125.4-85.2-62.7000110.1
350K37Very low39.7Very low201 Ų201150.1 Ų150.187%0.87482%0.819SS**  trans-84.2169.9-175.1-68.6173.9174.7176.50112.2
351S39Very low40Very low123 Ų123149.9 Ų149.986%0.8682%0.824SS**  trans96.5133.9171.377.80000113.1
352S47.4Very low39.8Very low122 Ų122151.8 Ų151.885%0.85383%0.83SS**  cis-155.4161.416.952.90000110.7
353E36.4Very low39.9Very low181 Ų181152 Ų15285%0.84683%0.83SS**  trans-83.6136.6-169.2-178.1177.1-177.900112.5
354C36.7Very low39.9Very low134 Ų134152.3 Ų152.391%0.90583%0.832SS**  trans-145.4121.4154.8-91.50000109.6
355A35.6Very low40.2Very low89 Ų89153.5 Ų153.574%0.73684%0.837SS**  trans-86.2136.9-171.300000112.8
356T42.2Very low40.3Very low146 Ų146154.5 Ų154.590%0.89684%0.839SS**  trans-148.9130.4149.515.70000110.2
357K44.4Very low39.9Very low194 Ų194150.9 Ų150.984%0.84384%0.838SS**  trans-72.3153.9-167.5-54.3167.1-179.7176.20113
358P39.6Very low40.1Very low130 Ų130151.3 Ų151.384%0.84484%0.84SS**  trans-107.7128.615333.5-22.4000111
359T37.3Very low40.4Very low121 Ų121155.5 Ų155.574%0.74285%0.848SS**  trans-98.3122-176.8-54.90000110.7
360S43.9Very low40.1Very low104 Ų104152.6 Ų152.673%0.72784%0.835SS**  trans44130.3148.861.10000123
361K44.6Very low40.3Very low207 Ų207150.2 Ų150.290%0.983%0.827SS**  trans-86.3140.1159.9-52.4168.8-179.5176.10109.1
362E39.7Very low40.3Very low174 Ų174150.7 Ų150.781%0.81382%0.819SS**  trans-157.6102.1159.5-159158179.100110.9
363L39.5Very low40.1Very low159 Ų159152.5 Ų152.583%0.83282%0.818SS**  74.4115.2105.4-63.6176.1000116.5
364L38Very low40.1Very low174 Ų174148.2 Ų148.291%0.91181%0.808SS**PPolyproline II helixtrans-82.7138.8161.5-80.4157.8000109.9
365P44.8Very low40.3Very low122 Ų122146 Ų14679%0.79279%0.794SS**PPolyproline II helixtrans-91.7136.4179.133.9-29.6000112.4
366K43.9Very low40.8Very low203 Ų203150.5 Ų150.588%0.88380%0.8SS**PPolyproline II helixtrans-99.7128.8163.6-91.4168.8175.31710108.9
367C30.9Very low40.9Very low134 Ų134148.5 Ų148.591%0.90579%0.792SS**PPolyproline II helixtrans-70139.3176-63.40000111.2
368Q43.6Very low40.9Very low194 Ų194148 Ų14891%0.90779%0.793SS**  trans-122.5139.6165.1-73.2-175.9-13.900109.3
369N39.6Very low41.1Very low149 Ų149146.4 Ų146.480%0.79778%0.782SS**  trans-97.7143.7-175.9-125.59.7000109.8
370E37.6Very low41.3Very low144 Ų144146.8 Ų146.867%0.67378%0.784SS**  trans68.8108.5135.1-69.4-91.4133.400119.3
371Q41.5Very low41.4Very low151 Ų151150.3 Ų150.371%0.70679%0.789SS**  144.5141.5108.3-69.6-133.7-23.700115.9
372I39.2Very low41.1Very low133 Ų133146 Ų14668%0.68278%0.776SS**  trans96.3106.6149.2-64.8142.5000118.9
373L42.6Very low41.6Very low159 Ų159145.5 Ų145.583%0.83278%0.779SS**  trans49.9145.2131-83.281.6000119.7
374S36.2Very low42.1Very low92 Ų92145.2 Ų145.264%0.64377%0.773SS**  cis-174.8158.58.5171.70000109.7
375S42.6Very low42.3Very low86 Ų86144.1 Ų144.160%0.60177%0.768SS**  trans75.1116.8143.540.10000124.4
376Q45.3Very low42.2Very low185 Ų185143.2 Ų143.286%0.86476%0.764SS**  73.8137.5127.4-59.4179.130.400117.8
377S44.6Very low42.3Very low104 Ų104139.6 Ų139.673%0.72776%0.759SS**  cis-168.4139.520.442.20000111.8
378E43.2Very low43Very low184 Ų184139.2 Ų139.286%0.8676%0.756SS**  trans58.1151.1136.7-66.1-83.1129.300126.3
379P45.4Very low43.2Very low95 Ų95133.2 Ų133.262%0.61775%0.746SS**  trans-124.5-171.1-165.437.4-15.4000114.8
380T39.7Very low43.4Very low129 Ų129134 Ų13479%0.79175%0.75SS**  trans140.9127.7138.352.70000116.4
381H45.9Very low43.9Very low178 Ų178130.7 Ų130.782%0.82475%0.747SS**  trans17898.6145-117.8-79.2000106.1
382N40.3Very low44Very low117 Ų117132.9 Ų132.963%0.62676%0.755SS**  61.8107.263.7-145.531.9000114
383D50.2Low44.2Very low164 Ų164138.1 Ų138.188%0.87777%0.766SS**  trans-158.9134.6134-92.7-28.5000111.4
384Q49.8Very low44.3Very low153 Ų153136.2 Ų136.272%0.71576%0.761SS**  trans-102.3156.6-173.1-55.8-159.3-3.200111.4
385N41.3Very low45Very low151 Ų151140.5 Ų140.581%0.80777%0.768SS**  -179.1132.3119.5-100.4-25000115.5
386S43.2Very low45.1Very low102 Ų102146.1 Ų146.171%0.71378%0.782SS**  trans58.3138.3138.967.10000120.9
387T45.1Very low45Very low127 Ų127140.3 Ų140.378%0.77977%0.771SS**  cis-174.1145.7-4.9-73.70000106
388P46.5Very low45.3Very low127 Ų127143.2 Ų143.283%0.82578%0.779SS**  trans-107.4166.7176.437.8-28.8000114.1
389G47.9Very low45.3Very low68 Ų68144.6 Ų144.670%0.70178%0.778SS**  trans-151.3115.8169.800000114.9
390N44.2Very low45.5Very low164 Ų164150 Ų15088%0.87779%0.792SS**  48.8143.4122.2-89.2-10.2000119.7
391A47.6Very low45.8Very low76 Ų76148.6 Ų148.663%0.62879%0.788SS**  cis-172.8148.57.300000109
392F44.5Very low45.7Very low197 Ų197144.5 Ų144.586%0.86478%0.784SS**  trans15.6132.6145.5-58.1-87.8000121.2
393R42.5Very low45.9Very low243 Ų243150.4 Ų150.492%0.91780%0.798SS**  179.9157.898.8-132175.4-167.4-1414.8113.4
394T45.3Very low45.7Very low118 Ų118148.9 Ų148.972%0.72480%0.797SS**  trans-101.5167.1-169460000114.1
395K50.4Low45.8Very low182 Ų182147 Ų14779%0.79180%0.801SS**  trans110.9126.8145-76.5-178.8174.1172.50119.8
396K45.3Very low45.9Very low204 Ų204143.6 Ų143.689%0.88779%0.793SS**  trans57.5128.7145.1-72.1-177.3170.6-175.60116.4
397G42.1Very low46.2Very low63 Ų63149.3 Ų149.365%0.64981%0.806SS**  cis127.3130.532.200000106.3
398N51.3Low46.6Very low166 Ų166147.9 Ų147.989%0.88880%0.796SS**  trans169.7137.8145.6-90.67000112.1
399Y42.5Very low46.4Very low212 Ų212148.2 Ų148.283%0.83179%0.792SS**  trans-59.1146.3170.5-67.7-101.9000111.8
400F49.8Very low46.4Very low209 Ų209153.5 Ų153.592%0.91780%0.798SS**  trans-168.9145.4132.7-99.6-70.3000110.9
401S45.9Very low46.3Very low100 Ų100152 Ų15270%0.69980%0.795SS**  trans-77.9157.8-174.952.10000114.9
402A44.8Very low45.8Very low91 Ų91159.2 Ų159.275%0.75281%0.806SS**  trans69.4111.7145.800000119.6
403R44.9Very low45.9Very low242 Ų242159.5 Ų159.591%0.91381%0.807SS**  168.1136.8112.8-95.2178.7175.3-138.70.1110.5
404P45.3Very low46.1Very low131 Ų131155.5 Ų155.585%0.85180%0.798SS**  trans-93.1145.1162.435-26.5000110
405S51.3Low46.5Very low114 Ų114154.6 Ų154.680%0.79779%0.794SS**  trans-154.3108.6176.7167.70000111.4
406A44.2Very low46.1Very low79 Ų79154 Ų15465%0.65380%0.798SS**  trans38.7113.1142.800000119.7
407F48.9Very low46.1Very low222 Ų222149 Ų14997%0.97479%0.785SS**  trans-109134.1138.6-129.6-93.8000108.6
408V53.7Low46.1Very low97 Ų97154.8 Ų154.859%0.58879%0.794SS**  trans-107153.3-166.8151.70000108.7
409N41.9Very low45.6Very low135 Ų135155.4 Ų155.472%0.72279%0.79SS**  trans80.1130.7170.7-60.1-25.8000115.2
410Q48.6Very low45.5Very low179 Ų179154.5 Ų154.584%0.83679%0.793SS**  cis-155156.916.8-112.4157.543.300109.7
411T41.1Very low45.1Very low133 Ų133147 Ų14782%0.81677%0.774SS**  trans-64.8131.4-172.147.30000115.7
412R37.5Very low44.8Very low227 Ų227153 Ų15386%0.85778%0.782SS**  trans-156.396.3134.2-113.3-177.4-174.4-176.72109.4
413K46.6Very low44.8Very low203 Ų203160.1 Ų160.188%0.88379%0.789SS**PPolyproline II helixtrans-86.7122.4162.4-70.8-175.8176.2-178.60106.9
414H47.3Very low44.6Very low159 Ų159155.2 Ų155.274%0.73678%0.781SS**PPolyproline II helixtrans-92.5129.5156.7-76-73.9000107.9
415P52.7Low44.8Very low99 Ų99154.8 Ų154.864%0.64378%0.781SS**PPolyproline II helixtrans-77.6142.617830.2-29.6000110.3V417P415-V417 HydrophobicContact CB-CG2 4.23Å; P415-V417 HydrophobicContact CG-CG2 3.97Å; P415-V417 PolarHBondContact O-N 3.39Å
416I42.3Very low44.2Very low170 Ų170157.5 Ų157.587%0.87279%0.787SS**  trans-57.8114.6150-70.5166.7000106.1
417V45.1Very low44.5Very low99 Ų99158.4 Ų158.460%0.679%0.794SS**  trans-114.2111.1167.11750000106.3P415 F419P415-V417 HydrophobicContact CB-CG2 4.23Å; P415-V417 HydrophobicContact CG-CG2 3.97Å; P415-V417 PolarHBondContact O-N 3.39Å; V417-F419 HydrophobicContact CG1-CB 4.49Å; V417-F419 HydrophobicContact CG1-CD2 4.12Å; V417-F419 PolarHBondContact O-N 3.42Å
418Q43.4Very low44.3Very low183 Ų183154.7 Ų154.786%0.85579%0.785SS**  trans-60.4116.3152.3-69.1174.9-33.900106.6
419F40.6Very low43.7Very low180 Ų180157.8 Ų157.879%0.78980%0.795SS**  trans-109.789.9166.6-147.3-94.3000107.1V417 G421V417-F419 HydrophobicContact CG1-CB 4.49Å; V417-F419 HydrophobicContact CG1-CD2 4.12Å; V417-F419 PolarHBondContact O-N 3.42Å; F419-G421 PolarHBondContact O-N 3.26Å
420E38.9Very low43.8Very low193 Ų193159.2 Ų159.290%0.90280%0.797SS**  trans-61.9110.9147.3-76.2-171.7148.100106.6
421G41.6Very low43.3Very low51 Ų51156.7 Ų156.753%0.52679%0.789SS.*  trans-138.484.9178.200000108.6F419 R423F419-G421 PolarHBondContact O-N 3.26Å; G421-R423 PolarHBondContact O-N 3.33Å
422R41Very low43.1Very low227 Ų227161.7 Ų161.786%0.85780%0.795SS**  trans-48.3128165.4-63.7-174.8177.6-161.9-0.4110.1
423R44.6Very low43.1Very low240 Ų240156.7 Ų156.791%0.90679%0.79SS**  trans-140.9102.4146.1-75.1-165.2-165.61705.8108.6G421G421-R423 PolarHBondContact O-N 3.33Å
424D40.3Very low42.5Very low138 Ų138152.5 Ų152.574%0.73879%0.786SS**  trans-58.3132163.6-50.9-63.1000109.6
425S49.4Very low42Very low122 Ų122150 Ų15085%0.85379%0.792SS**  trans-169.853.5156-68.20000110
426D39.2Very low41.2Very low171 Ų171150.1 Ų150.191%0.91480%0.796SS**  trans-82.4106.9150.7-83-37.6000106.9
427A50.7Low41Very low99 Ų99149.7 Ų149.782%0.81879%0.79SS**  trans170.1106153.100000108.5
428N44.3Very low40.8Very low143 Ų143152 Ų15277%0.76579%0.794SS**  -168.8101.9115.7-158.412.2000109.7
429M40.8Very low40.6Very low162 Ų162148.9 Ų148.980%0.79879%0.787SS**  trans-72.6143.3161.1-77.6-150.2-170.300109.5
430Q44.2Very low40.9Very low166 Ų166147.5 Ų147.578%0.77679%0.788SS**  trans-160.9101.1138.9-104.5149.625.200111.1
431N38.2Very low41Very low125 Ų125145.7 Ų145.767%0.66879%0.785SS**  trans2.8128.9142.1-63-29.8000117.6
432Y37.2Very low41.1Very low239 Ų239152.1 Ų152.194%0.93780%0.801SS**  -147.794.8128-78-70.4000109.6
433T35.9Very low41.1Very low122 Ų122150 Ų15075%0.74880%0.801SS**  trans-106.9145.6154.851.70000108.6
434S35.1Very low40.8Very low114 Ų114145.5 Ų145.580%0.79780%0.795SS**  trans92.1105.5157.4-45.80000117.4
435A37.3Very low40.8Very low106 Ų106144.3 Ų144.388%0.87679%0.792SS**  trans-144.3106.2138.100000109.4
436S35.1Very low40.2Very low102 Ų102147.6 Ų147.671%0.71379%0.792SS**  trans-60.4160.3167.7-49.20000112.7
437H37.9Very low40.3Very low161 Ų161144.3 Ų144.375%0.74578%0.782SS**  trans146134151.1-88.161.8000106.8
438Q40.6Very low39.5Very low147 Ų147148.6 Ų148.669%0.68778%0.784SS**  cis-177.9144.78.6-134.7174.910.900105.8
439V39.7Very low39.3Very low118 Ų118148.9 Ų148.972%0.71578%0.781SS**  trans54.8140.1155-65.40000119
440D46.5Very low39.2Very low152 Ų152149 Ų14981%0.81377%0.773SS**  cis-153.6148.542.3-82.3-66.4000111.7
441D40.7Very low39Very low154 Ų154150.8 Ų150.882%0.82477%0.774SS**  trans-70.8134167.4-66.4-61.3000111.5
442Q44.8Very low39Very low186 Ų186151.5 Ų151.587%0.86978%0.778SS**  trans-171.7105.9141.7-107.2166.267.100112.8
443E41Very low39.1Very low183 Ų183145.8 Ų145.886%0.85576%0.763SS**  trans24.5128.6131.4-46-172-174.700119.5
444N37.4Very low39.4Very low145 Ų145149.9 Ų149.978%0.77577%0.771SS**  156.1100.8110.8-159.724.8000113.6
445V41.6Very low39.6Very low113 Ų113149 Ų14969%0.68577%0.765SS**  trans61.7130.1130.8-170.70000122.6
446F37Very low40Very low192 Ų192153.2 Ų153.284%0.84276%0.763SS**  trans130122.2152.5-95.7-102.9000109.9
447S40.3Very low40.3Very low101 Ų101154.1 Ų154.171%0.70677%0.77SS**  cis-160148.78.9-43.80000108.6
448H33.6Very low40.2Very low189 Ų189149.7 Ų149.788%0.87577%0.768SS**  trans-124.8122.8179.9-143.333.4000107.6
449E39.9Very low40.5Very low150 Ų150151.1 Ų151.170%0.70178%0.778SS**  trans-156.9106.9153.8-80.7-141.4166.700108.5
450R40.3Very low40.6Very low165 Ų165157.3 Ų157.362%0.62379%0.789SS**  96.1105.586.2-85.6-158.3-73.3-163.2-8.5111.9
451Y39.4Very low40.2Very low202 Ų202153.6 Ų153.679%0.79279%0.786SS**  179.1126.794.1-104.6-80.4000110.6
452N37.9Very low40.3Very low140 Ų140157.4 Ų157.475%0.74979%0.789SS**  trans-131.5163.3172.8-143.8-4000107.6
453N40.1Very low40.2Very low119 Ų119154.4 Ų154.464%0.63678%0.779SS**  trans93.1124.4172-45.3-27.4000113.3
454F40.8Very low40.6Very low208 Ų208151.2 Ų151.291%0.91277%0.768SS**  -142155.353-90.4-93.6000115.5
455S39.7Very low41Very low95 Ų95153 Ų15366%0.66476%0.764SS**  trans-94.1164.8-164.1-69.60000115.7
456K44.9Very low41.1Very low195 Ų195158.5 Ų158.585%0.84877%0.772SS**  trans75109.7134.7-86.9169.1177.8174.50120.7
457S41.6Very low41.4Very low122 Ų122152.2 Ų152.285%0.85376%0.762SS**  161.3127.311650.30000106.7
458G36.4Very low41.5Very low68 Ų68153.8 Ų153.870%0.70177%0.767SS**  cis100.886.332.500000108.3
459I47.5Very low42Very low176 Ų176151.4 Ų151.490%0.90377%0.766SS**  trans-164.9136.3149.6-92.8145.6000109.4
460R41.2Very low42.2Very low249 Ų249149.1 Ų149.194%0.9477%0.766SS**  trans-80.1155.5-174.9-58.9164.7178-178.1-2.8110.7
461G38.5Very low42.4Very low73 Ų73146.5 Ų146.575%0.75377%0.773SS**  trans143.196.2142.900000118.4
462R41.7Very low42.7Very low234 Ų234144.4 Ų144.488%0.88377%0.77SS**  trans58.9106.8133.1-85-172168.6174.6-0.8121.7
463D44.7Very low42.9Very low123 Ų123144.4 Ų144.466%0.65877%0.766SS**  67.5117.2108.5-73.4-33.3000122.9
464N47.7Very low43.1Very low116 Ų116144.6 Ų144.662%0.6277%0.771SS**  70.2140.6123.5-71.6-29.8000119.3
465R46.6Very low43.2Very low184 Ų184142.8 Ų142.869%0.69476%0.763SS**  cis-175.6144.916.6-116.2174.8-152.8-165.39.1110.7
466R44.4Very low43.3Very low227 Ų227146.4 Ų146.486%0.85777%0.769SS**  62.7139.8129.1-73.1175.2-166-127.60.5124.9
467G41.6Very low43.2Very low61 Ų61143.9 Ų143.963%0.62977%0.765SS**  trans152.984.4135.500000113.8
468T43Very low43.2Very low134 Ų134144 Ų14482%0.82277%0.766SS**  53.9126.9111.161.40000114.6
469V45.4Very low43.4Very low139 Ų139145.4 Ų145.484%0.84277%0.765SS**  -160.5146.675.9-144.10000113.5
470S43.3Very low43.1Very low101 Ų101146.9 Ų146.971%0.70676%0.759SS**  trans66.9116.6138.9-122.70000124.6
471S44.4Very low43Very low111 Ų111141.3 Ų141.378%0.77675%0.748SS**  trans89.2131.9130.7-58.40000120.6
472H45.3Very low43.2Very low158 Ų158142.5 Ų142.573%0.73174%0.744SS**  trans101.3104.1154.6-130.9-82.6000118.3
473E42.7Very low43.3Very low139 Ų139142.5 Ų142.565%0.6575%0.746SS**  trans41.8108.9146.5-58.5-167.8163.100120.1
474V44.3Very low43.4Very low124 Ų124146.3 Ų146.375%0.75276%0.757SS**  trans-94.496160.7-179.50000108.3
475F42.9Very low43Very low169 Ų169146.6 Ų146.674%0.74176%0.762SS**  trans-82.7118148.9-90.5-86.1000107.6N477F475-N477 PolarHBondContact O-N 2.91Å
476H41.4Very low42.8Very low172 Ų172142.9 Ų142.980%0.79677%0.765SS**  trans-67.797.1165.2-83.5-86.1000108.7
477N42.4Very low42.8Very low142 Ų142140 Ų14076%0.75976%0.761SS**  trans-121.5102.1153.6-80.9-23.5000106.7F475 S479F475-N477 PolarHBondContact O-N 2.91Å; N477-S479 PolarHBondContact O-N 2.91Å
478S41.7Very low42.8Very low124 Ų124146 Ų14687%0.86777%0.773SS**  trans-66.486.416154.90000108
479S40Very low42.7Very low97 Ų97147.4 Ų147.468%0.67877%0.772SS**  trans-61.2125148.4-105.30000107.3N477N477-S479 PolarHBondContact O-N 2.91Å
480R41.6Very low42.7Very low208 Ų208146.5 Ų146.579%0.78577%0.772SS**  86.3148.377.3-139.5-179.3-170.2171.70.8110.6
481D40.6Very low42.4Very low132 Ų132152.9 Ų152.971%0.70678%0.781SS**  trans85.1115.6167-43.2-36.9000113.4
482S42.2Very low42.3Very low97 Ų97156.7 Ų156.768%0.67879%0.786SS**  cis-169.711845.1-64.50000110.7
483Y43.3Very low42.1Very low235 Ų235154.1 Ų154.192%0.92279%0.786SS**  trans-141.582.3153.5-64.3-75.6000108.4
484K45.8Very low42.1Very low202 Ų202152.8 Ų152.888%0.87879%0.787SS**  trans-112.196.3156.5-96.2-171.5174.7-177.20107.4S486K484-S486 PolarHBondContact O-N 3.37Å
485V41Very low41.7Very low122 Ų122154.8 Ų154.874%0.73979%0.791SS**  trans-76.4103.3160.31680000106.6Q487V485-Q487 HydrophobicContact CG1-CG 4.15Å; V485-Q487 PolarHBondContact O-N 3.23Å
486S41.5Very low41.6Very low107 Ų107156.1 Ų156.175%0.74879%0.791SS**  trans-74.9100.1163.6-61.80000108.2K484K484-S486 PolarHBondContact O-N 3.37Å
487Q44Very low41.4Very low165 Ų165150.9 Ų150.977%0.77178%0.784SS**  trans-100.393.7155.3-83.8-171.637.500108.1V485 M489V485-Q487 HydrophobicContact CG1-CG 4.15Å; V485-Q487 PolarHBondContact O-N 3.23Å; Q487-M489 PolarHBondContact O-N 3.23Å
488Q41.4Very low41.3Very low188 Ų188153.8 Ų153.888%0.87979%0.786SS**  trans-76.6104.6151.9-84.2175.5-62.200106.7
489M42.6Very low41.2Very low164 Ų164155.5 Ų155.581%0.80879%0.785SS**  trans-123123.7156.6-80.5-66.4-16200108.4Q487Q487-M489 PolarHBondContact O-N 3.23Å
490S44.2Very low41.3Very low120 Ų120157.2 Ų157.284%0.83980%0.796SS**  trans-57.2131.2-172.2-33.40000112.1
491R37.7Very low41.2Very low235 Ų235159.4 Ų159.489%0.88780%0.804SS**  trans-81120.3161.3-85.9176.9150.4161-5108.9
492E41.6Very low41.1Very low191 Ų191156.2 Ų156.289%0.89380%0.803SS**  trans166.4130.2151-97.8152.7170.300105.4
493S41.6Very low41Very low103 Ų103161.5 Ų161.572%0.7282%0.817SS**  cis-178.3168.125.344.50000108.5
494V41.6Very low41Very low111 Ų111153.4 Ų153.467%0.67381%0.805SS**  trans88.994.7156.5-162.80000118.2
495I37.7Very low40.9Very low166 Ų166151.6 Ų151.685%0.85181%0.805SS**  trans-64.4125.4155.7-63.2170.3000109.9
496R39.8Very low40.9Very low197 Ų197151.7 Ų151.774%0.74381%0.811SS**  trans-157.7112.2155.7-101.5-171.5-97.8-151.8-3.8104.7
497G36.6Very low41.3Very low62 Ų62153 Ų15364%0.63981%0.814SS**  cis92.269.233.300000109.5
498Y41.7Very low40.9Very low203 Ų203155.7 Ų155.780%0.79682%0.817SS**  trans-147110.1161.4-73-69.6000110
499D38.1Very low41.3Very low161 Ų161151.9 Ų151.986%0.86181%0.811SS**  trans-61.5140.6164.1-69.1-56000110.8
500C42.6Very low41.7Very low132 Ų132150.9 Ų150.989%0.89281%0.809SS**  trans-137.6110.1158.1-76.60000108.7
501R38.8Very low41.6Very low254 Ų254153.1 Ų153.196%0.95881%0.806SS**  trans-79155.6165.9-68.7-176179.5-155.30.8110.2
502G39.2Very low42Very low66 Ų66152.7 Ų152.768%0.6881%0.806SS**  trans143.488.9165.100000109.7
503E40.2Very low42Very low208 Ų208148.1 Ų148.197%0.97280%0.795SS**  72.7127.195.1-75.7-145.1158.900113.9
504G43.9Very low42.5Very low65 Ų65150.7 Ų150.767%0.6780%0.801SS**  trans153.989167.700000115.2
505D43.9Very low42.6Very low164 Ų164154 Ų15488%0.87781%0.809SS**  trans77.492.9138.9-52.1-25.8000121.1
506S39.9Very low43.1Very low124 Ų124155.7 Ų155.787%0.86781%0.813SS**  trans-101.4115.3154.6-174.70000109.3
507V51Low43.1Very low134 Ų134152.8 Ų152.881%0.81281%0.812SS**  trans-77.8143.7173.41760000110.3
508R35.8Very low43.5Very low221 Ų221155.5 Ų155.583%0.83482%0.822SS**  trans-106143.4-167.8-170-179.6-178.3168.90.3109.2
509S48Very low43.4Very low108 Ų108152.8 Ų152.876%0.75582%0.821SS**  trans176150.3155.136.60000108.7
510D50.8Low43.7Very low143 Ų143150.1 Ų150.177%0.76582%0.821SS**  cis-152.1154.3-43.7-100.7-36.4000105.3
511H42.9Very low43.7Very low168 Ų168154.9 Ų154.978%0.77882%0.82SS**  trans-56.1145.5178.4-79.8-92000113.9
512Y46.5Very low43.8Very low225 Ų225154 Ų15488%0.88282%0.819SS**  -154.7123128.8-118.8-86.6000110.2
513S40.5Very low43.8Very low95 Ų95156.4 Ų156.466%0.66483%0.825SS**  trans-110.7132.517545.40000108.1
514D53.1Low43.9Very low158 Ų158150.3 Ų150.385%0.84582%0.818SS**  trans-134.9125.3157.9-102.4-30.4000110.9
515Q44.3Very low43.9Very low179 Ų179152.1 Ų152.184%0.83683%0.827SS**  trans-71.7143.3169.3-73.9167.5-6.700109
516Q47.5Very low43.9Very low203 Ų203150.3 Ų150.395%0.94983%0.827SS**  -162.7150123.6-106.4171.855.500112.7
517N40.2Very low44.2Very low136 Ų136155.2 Ų155.273%0.72783%0.826SS**  trans-108.4136.7-155-176.915.4000108.3
518S44.7Very low43.8Very low119 Ų119156.2 Ų156.283%0.83283%0.827SS**  trans-163.4126.5144.448.60000112.6
519N39.4Very low44Very low146 Ų146150.3 Ų150.378%0.78182%0.82SS**  trans-64.6142.6174.3-68.1-62.6000112.6
520A43.9Very low43.8Very low104 Ų104155.6 Ų155.686%0.8682%0.824SS**  trans-152.6122.5139.200000110.8
521R42.3Very low43.5Very low232 Ų232156 Ų15688%0.87583%0.826SS**  trans-71.1147.4179-59.6166176.3164.4-2.5110.3
522Y41.1Very low43.6Very low237 Ų237154.1 Ų154.193%0.92983%0.831SS**  -159.9121.3129.5-117.2-82.7000110.9
523S39.1Very low43.5Very low115 Ų115147.7 Ų147.780%0.80482%0.819SS**  trans-90.8139.917850.70000111
524G42.7Very low43.9Very low81 Ų81153.4 Ų153.484%0.83583%0.833SS**  trans-151.598.1168.100000110.3
525A44Very low43.3Very low103 Ų103150 Ų15085%0.85183%0.834SS**  trans-84.8143.4178.400000111.3
526S45Very low43.1Very low126 Ų126153 Ų15388%0.88184%0.838SS**  trans-151.1134.2144.3-160.80000111.2
527R44.8Very low43.3Very low227 Ų227149.5 Ų149.586%0.85783%0.83SS**  trans-86.1148.4-171.7-68.5166.4165.9166.4-5.7110.4
528N43Very low43.5Very low155 Ų155150 Ų15083%0.82983%0.832SS**  trans-161.7118.1131.1-101.9-15000111.1
529S40.7Very low43.5Very low97 Ų97149.3 Ų149.368%0.67883%0.828SS**  trans-115.7126.1173.352.70000108
530Y44.2Very low44.1Very low218 Ų218148.7 Ų148.786%0.85583%0.829SS**  trans-124111.5160.9-82.6-81.4000108.6
531L44.5Very low44Very low153 Ų153150.1 Ų150.180%0.80182%0.822SS**  trans-70.1142.3162.1-75.299.9000109.3
532S43.6Very low44.2Very low127 Ų127144.9 Ų144.989%0.88882%0.816SS**  trans-155.2132.3134.9-165.70000110.7
533S45.7Very low44.5Very low90 Ų90139.5 Ų139.563%0.62981%0.808SS**  trans-95.7161.6-172.1-45.60000111.8
534K48.1Very low45Very low216 Ų216139.3 Ų139.394%0.93981%0.807SS**  trans120.4129.4147.4-67.8178.3177.3176.10114.6
535G41.4Very low45.3Very low85 Ų85146 Ų14688%0.87681%0.808SS**  trans139.971.7155.700000115.2
536R39.2Very low45.6Very low243 Ų243152.5 Ų152.592%0.91781%0.811SS**  trans-113.1107.9168.5-176.2-167.6-164.3-170.26.3108
537V51.1Low46Very low130 Ų130157.9 Ų157.979%0.78881%0.812SS**  trans-162.8146.3148.7-133.10000112.2
538N44.6Very low46.9Very low145 Ų145153.3 Ų153.378%0.77581%0.812SS**  trans105.2101.2149.6-62.7-15.6000119.6
539S44.7Very low47.3Very low105 Ų105149.1 Ų149.173%0.73481%0.805SS**  trans-53.1151.6157.853.60000114.9
540V52.6Low47.5Very low134 Ų134152.5 Ų152.581%0.81282%0.816SS**  trans-154.6116.6141.1-98.70000111.1
541N42.6Very low47.8Very low134 Ų134152.9 Ų152.972%0.71782%0.817SS**  trans49.8102.6133.3-62.5-6000119.6
542T46.2Very low47.9Very low122 Ų122150.3 Ų150.375%0.74882%0.818SS**  66114.485.964.10000115.7
543T46.5Very low48.4Very low123 Ų123149.7 Ų149.776%0.75581%0.814SS**  trans-158.2102134.1-65.90000108.2Y545T543-Y545 HydrophobicContact CG2-CD2 4.24Å; T543-Y545 HydrophobicContact CG2-CE2 4Å
544S50.5Low48.5Very low111 Ų111157.7 Ų157.778%0.77683%0.83SS**  trans-114.7120.8165.849.90000108.2R546S544-R546 PolarHBondContact O-N 3.28Å
545Y48.2Very low48.8Very low222 Ų222151.3 Ų151.387%0.87183%0.825SS**  trans-70.3114.5177.7-82.7-90.1000110.2T543T543-Y545 HydrophobicContact CG2-CD2 4.24Å; T543-Y545 HydrophobicContact CG2-CE2 4Å
546R49.6Very low49.3Very low239 Ų239159.7 Ų159.790%0.90283%0.83SS**PPolyproline II helixtrans-76.2134.1166.9-78.1-172.2-179.7-1641.3110.1S544S544-R546 PolarHBondContact O-N 3.28Å
547R53.3Low49.9Very low240 Ų240151.6 Ų151.691%0.90682%0.823SS**PPolyproline II helixtrans-75.7142.1159.5-80.5-175.8170.8-156.3-3.3110.2
548P65Low50.3Low131 Ų131151.8 Ų151.885%0.85183%0.829SS**PPolyproline II helixtrans-80.3148.8173.732-30.2000111.6
549G50.1Low51Low67 Ų67148 Ų14869%0.69183%0.825SS**PPolyproline II helixtrans-82.3163.7-168.700000116.1
550N45.3Very low51.5Low168 Ų168157.8 Ų157.890%0.89885%0.848SS**PPolyproline II helixtrans-63.6128.7169.4-73.7-30000111.4
551Y51Low51.5Low226 Ų226159 Ų15989%0.88685%0.85SS**  trans-107.2107.9154.9-83-85.4000108.6
552A47Very low51.9Low99 Ų99160.3 Ų160.382%0.81886%0.857SS**  trans-103.3105.4161.200000107.2
553S53.2Low52.3Low114 Ų114162.4 Ų162.480%0.79786%0.863SS**  trans-116.2107.6165.3-780000108.7
554R48.2Very low52.6Low258 Ų258164.8 Ų164.897%0.97487%0.869SS**  trans-73.2129.3162.8-77175.1160.9175.2-4.8108.1
555G54.5Low52.7Low81 Ų81168.1 Ų168.184%0.83588%0.875SS**  trans-141107.1164.100000109.4
556R50.9Low53Low262 Ų262164.5 Ų164.599%0.98988%0.875SS**  trans-104.2143.6162.2-76.9-165-168.1-151.95.8108
557G53.5Low53.3Low73 Ų73159.2 Ų159.275%0.75387%0.873SS**  trans145.6103.1168.700000108.6
558S58.2Low53.3Low133 Ų133153 Ų15393%0.9387%0.871SS**  8112265-171.50000113.9
559G60.8Low52.3Low66 Ų66154.8 Ų154.868%0.6887%0.873SS**  trans88.9119.7170.800000112.6
560Y55Low52.5Low311 Ų311162.8 Ų162.8100%1.2289%0.889SS**  cis-142.2029.1-88.7-99.8000111.3

Retrieved 560 of 560 residues in 60.1 ms (Link to these results)

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