A0A096MN70_PAPAN Loading...

UV-stimulated scaffold protein A

AlphaFold DB , UniProt , Accession A0A096MN70, Species PAPAN (Papio anubis, Olive baboon), Gene UVSSA, Length 709 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
1M56.8Low84Confident166 Ų16678.5 Ų78.582%0.81838%0.378SS*.  0-69.90-68.2-62.5-108.100110.3Q3 K4M1-Q3 PolarHBondContact O-N 3.14Å; M1-Q3 VanDerWaalsContact O-N 3.12Å; M1-K4 WeakPolarHBondContact O-CB 3.25Å; M1-K4 PolarHBondContact O-N 3.3Å
2D60.6Low84.6Confident71 Ų7172.1 Ų72.138%0.3835%0.347SS..Hα-helixtrans-30.9-55.8-175.8-68.228.2000118.1K4 L5 S6 R41D2-K4 VanDerWaalsContact C-N 3.3Å; D2-K4 PolarHBondContact O-N 3.43Å; D2-L5 PolarHBondContact O-N 3.4Å; D2-S6 PolarHBondContact O-N 3.45Å; D2-R41 IonicContact OD1-NH1 3.77Å; D2-R41 IonicContact OD2-CZ 2.78Å; D2-R41 IonicContact OD2-NH1 2.7Å; D2-R41 PolarHBondContact OD2-NH1 3.02Å; D2-R41 IonicContact OD2-NH2 3.64Å
3Q77.1Confident85.2Confident154 Ų15466.5 Ų66.572%0.7232%0.321SS*.Hα-helixtrans-65.2-31.3-179.3-68.2-178.7-2.600112.9M1 S6 K7M1-Q3 PolarHBondContact O-N 3.14Å; M1-Q3 VanDerWaalsContact O-N 3.12Å; Q3-S6 PolarHBondContact O-N 2.92Å; Q3-K7 WeakPolarHBondContact O-CG 3.23Å; Q3-K7 PolarHBondContact O-N 3.21Å; Q3-K7 VanDerWaalsContact O-N 3.08Å
4K87.8Confident85.6Confident108 Ų10867.6 Ų67.647%0.4733%0.334SS..Hα-helixtrans-68-37.7177.9-176170.3178.1173.60111.4M1 D2 L8 E27 I31M1-K4 WeakPolarHBondContact O-CB 3.25Å; M1-K4 PolarHBondContact O-N 3.3Å; D2-K4 VanDerWaalsContact C-N 3.3Å; D2-K4 PolarHBondContact O-N 3.43Å; K4-L8 WeakPolarHBondContact O-CB 3.49Å; K4-L8 PolarHBondContact O-N 3.48Å; K4-E27 WeakPolarHBondContact CE-OE2 3.34Å; K4-E27 IonicContact NZ-OE1 3.35Å; K4-E27 IonicContact NZ-OE2 2.67Å; K4-E27 PolarHBondContact NZ-OE2 2.63Å; K4-I31 HydrophobicContact CG-CD1 4.49Å
5L89.9Confident85.6Confident1 Ų166.5 Ų66.51%0.00534%0.335CS..Hα-helixtrans-64.5-42.9175.717959.7000111.3D2 L8 V9 L28 I31 Q38 R41 A42 L45D2-L5 PolarHBondContact O-N 3.4Å; L5-L8 PolarHBondContact O-N 3.45Å; L5-V9 HydrophobicContact CD1-CG2 4.2Å; L5-V9 WeakPolarHBondContact O-CG2 3.32Å; L5-V9 PolarHBondContact O-N 3.45Å; L5-V9 VanDerWaalsContact O-N 3.08Å; L5-L28 HydrophobicContact CD1-CD1 3.35Å; L5-I31 HydrophobicContact CB-CG2 4.38Å; L5-I31 HydrophobicContact CD1-CG2 4.05Å; L5-I31 HydrophobicContact CD2-CG2 4.44Å; L5-Q38 HydrophobicContact CD2-CB 4.45Å; L5-Q38 WeakPolarHBondContact CD2-O 3.48Å; L5-R41 HydrophobicContact CD2-CB 4.11Å; L5-R41 HydrophobicContact CD2-CG 4.04Å; L5-A42 HydrophobicContact CD1-CB 4.3Å; L5-A42 HydrophobicContact CD2-CB 4.33Å; L5-L45 HydrophobicContact CD2-CD1 4.43Å; L5-L45 HydrophobicContact CG-CD1 4.06Å
6S90.3Very high85.1Confident44 Ų4464.8 Ų64.831%0.30834%0.339SS..Hα-helixtrans-60.5-54178.4-154.60000111.6D2 Q3 L8 V9 E10D2-S6 PolarHBondContact O-N 3.45Å; Q3-S6 PolarHBondContact O-N 2.92Å; S6-L8 VanDerWaalsContact C-N 3.34Å; S6-L8 PolarHBondContact O-N 3.34Å; S6-V9 PolarHBondContact O-N 3.2Å; S6-E10 WeakPolarHBondContact O-CB 3.26Å; S6-E10 PolarHBondContact O-N 3.34Å
7K91.9Very high85Confident121 Ų12168.2 Ų68.253%0.52635%0.353SS..Hα-helixtrans-59.5-42.1178.5-69.8-177.1175.5-169.30112.3Q3 V9 E10 E11Q3-K7 WeakPolarHBondContact O-CG 3.23Å; Q3-K7 PolarHBondContact O-N 3.21Å; Q3-K7 VanDerWaalsContact O-N 3.08Å; K7-V9 PolarHBondContact O-N 2.98Å; K7-E10 PolarHBondContact O-N 2.82Å; K7-E11 VanDerWaalsContact O-CB 3.27Å; K7-E11 WeakPolarHBondContact O-CB 3.35Å; K7-E11 WeakPolarHBondContact O-CG 3.5Å; K7-E11 PolarHBondContact O-N 3.35Å
8L92.6Very high84.7Confident10 Ų1068.6 Ų68.65%0.05236%0.36CS..Hα-helixtrans-67.2-35.8-178.9-174.163000113.2K4 L5 S6 L12 K24 E27 L28 I31K4-L8 WeakPolarHBondContact O-CB 3.49Å; K4-L8 PolarHBondContact O-N 3.48Å; L5-L8 PolarHBondContact O-N 3.45Å; S6-L8 VanDerWaalsContact C-N 3.34Å; S6-L8 PolarHBondContact O-N 3.34Å; L8-L12 HydrophobicContact CG-CD1 4.46Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 WeakPolarHBondContact O-CD1 3.4Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.35Å; L8-K24 HydrophobicContact CD1-CB 3.76Å; L8-K24 HydrophobicContact CD1-CD 4.25Å; L8-K24 HydrophobicContact CD1-CG 4Å; L8-E27 HydrophobicContact CD2-CB 3.83Å; L8-L28 HydrophobicContact CD2-CB 3.9Å; L8-L28 HydrophobicContact CD2-CD1 4.28Å; L8-L28 HydrophobicContact CG-CB 4.4Å; L8-I31 HydrophobicContact CD2-CD1 3.94Å
9V92.5Very high84.9Confident1 Ų175.6 Ų75.61%0.00638%0.381CS..Hα-helixtrans-67.7-49.7172.2172.70000109.8L5 S6 K7 L12 T13 L28 L45 L46 Q49L5-V9 HydrophobicContact CD1-CG2 4.2Å; L5-V9 WeakPolarHBondContact O-CG2 3.32Å; L5-V9 PolarHBondContact O-N 3.45Å; L5-V9 VanDerWaalsContact O-N 3.08Å; S6-V9 PolarHBondContact O-N 3.2Å; K7-V9 PolarHBondContact O-N 2.98Å; V9-L12 PolarHBondContact O-N 3.04Å; V9-L12 VanDerWaalsContact O-N 3.16Å; V9-T13 HydrophobicContact CG1-CG2 4.39Å; V9-T13 WeakPolarHBondContact O-CG2 3.36Å; V9-T13 PolarHBondContact O-N 2.87Å; V9-T13 PolarHBondContact O-OG1 2.87Å; V9-L28 HydrophobicContact CG2-CD1 3.84Å; V9-L28 HydrophobicContact CG2-CD2 4.33Å; V9-L45 HydrophobicContact CG1-CB 4.15Å; V9-L45 HydrophobicContact CG2-CB 4.49Å; V9-L45 HydrophobicContact CG2-CD1 4.36Å; V9-L46 HydrophobicContact CG1-CD2 3.93Å; V9-L46 HydrophobicContact CG1-CG 4.43Å; V9-Q49 HydrophobicContact CG1-CG 4.32Å
10E92.6Very high85.1Confident99 Ų9973.3 Ų73.346%0.46337%0.37SS..Hα-helixtrans-54.5-55.6179.3-173.9174.7-171.400111.7S6 K7 L12 T13 T14S6-E10 WeakPolarHBondContact O-CB 3.26Å; S6-E10 PolarHBondContact O-N 3.34Å; K7-E10 PolarHBondContact O-N 2.82Å; E10-L12 PolarHBondContact O-N 3.06Å; E10-T13 PolarHBondContact O-N 2.97Å; E10-T13 PolarHBondContact O-OG1 3.38Å; E10-T14 HydrophobicContact CG-CG2 4.34Å; E10-T14 PolarHBondContact O-N 3.27Å; E10-T14 PolarHBondContact O-OG1 3.34Å
11E92Very high85.5Confident88 Ų8872.8 Ų72.841%0.41137%0.369SS..Hα-helixtrans-59.2-26.2177.3-73.1172.5-138.400114.7K7 K24K7-E11 VanDerWaalsContact O-CB 3.27Å; K7-E11 WeakPolarHBondContact O-CB 3.35Å; K7-E11 WeakPolarHBondContact O-CG 3.5Å; K7-E11 PolarHBondContact O-N 3.35Å; E11-K24 WeakPolarHBondContact OE2-CE 3.24Å; E11-K24 IonicContact OE2-NZ 2.8Å; E11-K24 PolarHBondContact OE2-NZ 2.82Å
12L91.6Very high87.1Confident2 Ų269.6 Ų69.61%0.0136%0.36CS..Hα-helixtrans-78.1-42172.6-84.7164.9000110.4L8 V9 E10 S15 L20 N21 K24 L28 I64L8-L12 HydrophobicContact CG-CD1 4.46Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 WeakPolarHBondContact O-CD1 3.4Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.35Å; V9-L12 PolarHBondContact O-N 3.04Å; V9-L12 VanDerWaalsContact O-N 3.16Å; E10-L12 PolarHBondContact O-N 3.06Å; L12-S15 PolarHBondContact O-OG 2.98Å; L12-L20 HydrophobicContact CB-CD2 4.36Å; L12-L20 HydrophobicContact CD2-CB 4.22Å; L12-L20 HydrophobicContact CD2-CD2 4.11Å; L12-N21 HydrophobicContact CD2-CB 4.29Å; L12-K24 HydrophobicContact CD1-CB 4.19Å; L12-K24 HydrophobicContact CD2-CB 3.78Å; L12-K24 HydrophobicContact CG-CB 3.96Å; L12-L28 HydrophobicContact CD1-CB 4.34Å; L12-L28 HydrophobicContact CD1-CD2 3.85Å; L12-I64 HydrophobicContact CB-CD1 3.95Å; L12-I64 HydrophobicContact CD1-CD1 4.27Å
13T92.1Very high88.6Confident0 Ų073.3 Ų73.30%038%0.375CS..Hα-helixtrans-80.1-29.4-174.953.80000115V9 E10 S15 Q49 I57 A61 I64V9-T13 HydrophobicContact CG1-CG2 4.39Å; V9-T13 WeakPolarHBondContact O-CG2 3.36Å; V9-T13 PolarHBondContact O-N 2.87Å; V9-T13 PolarHBondContact O-OG1 2.87Å; E10-T13 PolarHBondContact O-N 2.97Å; E10-T13 PolarHBondContact O-OG1 3.38Å; T13-S15 VanDerWaalsContact C-N 3.34Å; T13-Q49 HydrophobicContact CG2-CB 4.13Å; T13-Q49 HydrophobicContact CG2-CG 4.05Å; T13-I57 WeakPolarHBondContact O-CA 3.43Å; T13-A61 HydrophobicContact CG2-CB 3.9Å; T13-I64 HydrophobicContact CG2-CD1 3.95Å
14T91.4Very high89.3Confident82 Ų8269.2 Ų69.250%0.50336%0.355SS..THydrogen-bonded Turntrans-90.64.7179.6590000113.7E10 G16E10-T14 HydrophobicContact CG-CG2 4.34Å; E10-T14 PolarHBondContact O-N 3.27Å; E10-T14 PolarHBondContact O-OG1 3.34Å; T14-G16 VanDerWaalsContact C-N 3.26Å; T14-G16 PolarHBondContact O-N 2.95Å
15S84.6Confident89.6Confident51 Ų5164.6 Ų64.636%0.35734%0.335SS..SBendtrans-69.7-14.5-173.564.70000115.6L12 T13 Q17L12-S15 PolarHBondContact O-OG 2.98Å; T13-S15 VanDerWaalsContact C-N 3.34Å; S15-Q17 PolarHBondContact O-N 3.42Å
16G77.8Confident89.7Confident39 Ų3972 Ų7240%0.40237%0.368SS..  trans65.7-4.3-175.900000115.1T14T14-G16 VanDerWaalsContact C-N 3.26Å; T14-G16 PolarHBondContact O-N 2.95Å
17Q83.9Confident89.8Confident123 Ų12374.1 Ų74.158%0.57537%0.373SS*.  trans-83143.6-173.1-66.9-163-2.800112.5S15 R19S15-Q17 PolarHBondContact O-N 3.42Å; Q17-R19 PolarHBondContact O-N 3.21Å
18P80.1Confident89.9Confident74 Ų7468.4 Ų68.448%0.48135%0.348SS..SBendtrans-70.6-4.7-177.328.8-36.6000114.6Q63P18-Q63 PolarHBondContact O-NE2 2.92Å; P18-Q63 VanDerWaalsContact O-NE2 3.08Å
19R87.2Confident89.9Confident202 Ų20270.8 Ų70.876%0.76236%0.357SS*.SBendtrans-143140.8175.8-70.9-177.4174.7174.4-0.9109.4Q17Q17-R19 PolarHBondContact O-N 3.21Å
20L90.3Very high89.9Confident30 Ų3078.8 Ų78.816%0.15739%0.392CS..  trans-62146.2175.1-61.5173.8000113.4L12 M25 Q63 I64L12-L20 HydrophobicContact CB-CD2 4.36Å; L12-L20 HydrophobicContact CD2-CB 4.22Å; L12-L20 HydrophobicContact CD2-CD2 4.11Å; L20-M25 HydrophobicContact CD1-CG 4.36Å; L20-M25 HydrophobicContact CD1-SD 4.25Å; L20-Q63 HydrophobicContact CD1-CB 3.69Å; L20-Q63 HydrophobicContact CG-CB 3.9Å; L20-I64 HydrophobicContact CD1-CB 4.41Å; L20-I64 HydrophobicContact CD1-CG1 3.5Å; L20-I64 HydrophobicContact CD2-CD1 4.33Å; L20-I64 HydrophobicContact CD2-CG1 3.97Å; L20-I64 HydrophobicContact CG-CG1 4.4Å
21N91.7Very high89.8Confident63 Ų6375.2 Ų75.234%0.33738%0.376SS..  trans-63.9123.9168.7177-66.1000110.6L12 E23 K24 M25L12-N21 HydrophobicContact CD2-CB 4.29Å; N21-E23 PolarHBondContact O-N 3.02Å; N21-E23 PolarHBondContact OD1-N 2.9Å; N21-K24 HydrophobicContact CB-CB 4.28Å; N21-K24 HydrophobicContact CB-CG 4.46Å; N21-K24 PolarHBondContact OD1-N 3.42Å; N21-M25 VanDerWaalsContact O-CB 3.28Å; N21-M25 WeakPolarHBondContact O-CB 3.33Å; N21-M25 PolarHBondContact O-N 2.98Å
22P91.1Very high89.8Confident99 Ų9971.6 Ų71.664%0.64336%0.361SS*.Hα-helixtrans-71.8-28.4-170.928.2-35.4000113.6K26P22-K26 WeakPolarHBondContact O-CB 3.39Å; P22-K26 PolarHBondContact O-N 3.39Å
23E92.4Very high89.7Confident148 Ų14880.7 Ų80.769%0.69240%0.4SS*.Hα-helixtrans-76.5-49.3-179.1-56.3-164.8134.800111N21 M25 K26 E27N21-E23 PolarHBondContact O-N 3.02Å; N21-E23 PolarHBondContact OD1-N 2.9Å; E23-M25 PolarHBondContact O-N 3.45Å; E23-K26 WeakPolarHBondContact O-CA 3.32Å; E23-K26 WeakPolarHBondContact O-CB 3.43Å; E23-K26 PolarHBondContact O-N 3.42Å; E23-E27 PolarHBondContact O-N 3.27Å
24K91.3Very high89.6Confident69 Ų6984.1 Ų84.130%0.342%0.424SS..Hα-helixtrans-57.3-39.4172.2-69.9-168.2-173.8-166.60111.2L8 E11 L12 N21 E27 L28L8-K24 HydrophobicContact CD1-CB 3.76Å; L8-K24 HydrophobicContact CD1-CD 4.25Å; L8-K24 HydrophobicContact CD1-CG 4Å; E11-K24 WeakPolarHBondContact OE2-CE 3.24Å; E11-K24 IonicContact OE2-NZ 2.8Å; E11-K24 PolarHBondContact OE2-NZ 2.82Å; L12-K24 HydrophobicContact CD1-CB 4.19Å; L12-K24 HydrophobicContact CD2-CB 3.78Å; L12-K24 HydrophobicContact CG-CB 3.96Å; N21-K24 HydrophobicContact CB-CB 4.28Å; N21-K24 HydrophobicContact CB-CG 4.46Å; N21-K24 PolarHBondContact OD1-N 3.42Å; K24-E27 PolarHBondContact O-N 3.04Å; K24-L28 WeakPolarHBondContact O-CB 3.43Å; K24-L28 PolarHBondContact O-N 3.42Å
25M93.7Very high89.6Confident10 Ų1082.2 Ų82.25%0.04941%0.414CS..Hα-helixtrans-70.4-29175.5-170.751.7-179.900113.3L20 N21 E23 L28 K29 I64 E67L20-M25 HydrophobicContact CD1-CG 4.36Å; L20-M25 HydrophobicContact CD1-SD 4.25Å; N21-M25 VanDerWaalsContact O-CB 3.28Å; N21-M25 WeakPolarHBondContact O-CB 3.33Å; N21-M25 PolarHBondContact O-N 2.98Å; E23-M25 PolarHBondContact O-N 3.45Å; M25-L28 HydrophobicContact SD-CB 4.32Å; M25-L28 HydrophobicContact SD-CD2 3.93Å; M25-K29 HydrophobicContact CE-CG 4.45Å; M25-K29 WeakPolarHBondContact O-CE 3.32Å; M25-K29 WeakPolarHBondContact O-CG 3.26Å; M25-K29 PolarHBondContact O-N 3.02Å; M25-K29 VanDerWaalsContact O-N 3.1Å; M25-I64 HydrophobicContact CE-CB 4.36Å; M25-I64 HydrophobicContact CE-CG2 3.98Å; M25-I64 HydrophobicContact SD-CG1 4.28Å; M25-I64 HydrophobicContact SD-CG2 4.24Å; M25-E67 HydrophobicContact CE-CB 3.73Å; M25-E67 HydrophobicContact CE-CG 3.41Å; M25-E67 VanDerWaalsContact CE-CG 3.41Å
26K93.2Very high89.8Confident158 Ų15886 Ų8669%0.68743%0.426SS*.Hα-helixtrans-70.1-39.4171.3-171.9179.9-179.4-177.70111.5P22 E23 K30P22-K26 WeakPolarHBondContact O-CB 3.39Å; P22-K26 PolarHBondContact O-N 3.39Å; E23-K26 WeakPolarHBondContact O-CA 3.32Å; E23-K26 WeakPolarHBondContact O-CB 3.43Å; E23-K26 PolarHBondContact O-N 3.42Å; K26-K30 PolarHBondContact O-N 3.24Å; K26-K30 VanDerWaalsContact O-N 3.1Å
27E92.7Very high90.4Very high88 Ų8891 Ų9141%0.41144%0.439SS..Hα-helixtrans-63.3-45.2170-77.8-146.7-141.900112.4K4 L8 E23 K24 K29 K30 I31K4-E27 WeakPolarHBondContact CE-OE2 3.34Å; K4-E27 IonicContact NZ-OE1 3.35Å; K4-E27 IonicContact NZ-OE2 2.67Å; K4-E27 PolarHBondContact NZ-OE2 2.63Å; L8-E27 HydrophobicContact CD2-CB 3.83Å; E23-E27 PolarHBondContact O-N 3.27Å; K24-E27 PolarHBondContact O-N 3.04Å; E27-K29 VanDerWaalsContact C-N 3.33Å; E27-K29 PolarHBondContact O-N 3.05Å; E27-K30 WeakPolarHBondContact O-CA 3.23Å; E27-K30 WeakPolarHBondContact O-CB 3.48Å; E27-K30 PolarHBondContact O-N 3.46Å; E27-I31 PolarHBondContact O-N 3.39Å
28L92.9Very high90.7Very high0 Ų086.3 Ų86.30%042%0.417CS..Hα-helixtrans-60-44.5179.9-175.861.1000111.1L5 L8 V9 L12 K24 M25 K30 I31 C32 I64L5-L28 HydrophobicContact CD1-CD1 3.35Å; L8-L28 HydrophobicContact CD2-CB 3.9Å; L8-L28 HydrophobicContact CD2-CD1 4.28Å; L8-L28 HydrophobicContact CG-CB 4.4Å; V9-L28 HydrophobicContact CG2-CD1 3.84Å; V9-L28 HydrophobicContact CG2-CD2 4.33Å; L12-L28 HydrophobicContact CD1-CB 4.34Å; L12-L28 HydrophobicContact CD1-CD2 3.85Å; K24-L28 WeakPolarHBondContact O-CB 3.43Å; K24-L28 PolarHBondContact O-N 3.42Å; M25-L28 HydrophobicContact SD-CB 4.32Å; M25-L28 HydrophobicContact SD-CD2 3.93Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 2.97Å; L28-I31 PolarHBondContact O-N 2.82Å; L28-C32 WeakPolarHBondContact O-CB 3.46Å; L28-C32 PolarHBondContact O-N 2.81Å; L28-C32 PolarHBondContact O-SG 3.2Å; L28-I64 HydrophobicContact CD2-CD1 4.24Å; L28-I64 HydrophobicContact CD2-CG1 4.48Å; L28-I64 HydrophobicContact CD2-CG2 3.56Å
29K92.7Very high91.3Very high60 Ų6083.2 Ų83.226%0.26140%0.396SS..Hα-helixtrans-61.7-35.2172.7-78.3177-74.1-171.20113.1M25 E27 K33 E67 L68M25-K29 HydrophobicContact CE-CG 4.45Å; M25-K29 WeakPolarHBondContact O-CE 3.32Å; M25-K29 WeakPolarHBondContact O-CG 3.26Å; M25-K29 PolarHBondContact O-N 3.02Å; M25-K29 VanDerWaalsContact O-N 3.1Å; E27-K29 VanDerWaalsContact C-N 3.33Å; E27-K29 PolarHBondContact O-N 3.05Å; K29-K33 WeakPolarHBondContact O-CB 3.5Å; K29-K33 PolarHBondContact O-N 3.44Å; K29-E67 HydrophobicContact CD-CG 4.02Å; K29-E67 IonicContact NZ-OE1 3.49Å; K29-E67 PolarHBondContact NZ-OE1 3.01Å; K29-L68 HydrophobicContact CG-CD2 4.33Å
30K93.1Very high91.5Very high169 Ų16974.9 Ų74.974%0.73537%0.369SS*.Hα-helixtrans-65.9-41.5175.1-173.8179.9177.5-178.10111.8K26 E27 L28 K33K26-K30 PolarHBondContact O-N 3.24Å; K26-K30 VanDerWaalsContact O-N 3.1Å; E27-K30 WeakPolarHBondContact O-CA 3.23Å; E27-K30 WeakPolarHBondContact O-CB 3.48Å; E27-K30 PolarHBondContact O-N 3.46Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 2.97Å; K30-K33 PolarHBondContact O-N 3.14Å
31I90.5Very high91.6Very high25 Ų2577.1 Ų77.113%0.12838%0.375CS..Hα-helixtrans-68.9-45.2176.2-61.7169.7000110.6K4 L5 L8 E27 L28 K33 S34 Q38K4-I31 HydrophobicContact CG-CD1 4.49Å; L5-I31 HydrophobicContact CB-CG2 4.38Å; L5-I31 HydrophobicContact CD1-CG2 4.05Å; L5-I31 HydrophobicContact CD2-CG2 4.44Å; L8-I31 HydrophobicContact CD2-CD1 3.94Å; E27-I31 PolarHBondContact O-N 3.39Å; L28-I31 PolarHBondContact O-N 2.82Å; I31-K33 PolarHBondContact O-N 3.29Å; I31-S34 PolarHBondContact O-N 2.83Å; I31-S34 PolarHBondContact O-OG 3.26Å; I31-Q38 HydrophobicContact CG2-CB 4.4Å
32C90.8Very high91.7Very high12 Ų1274.1 Ų74.18%0.08136%0.359CS..Hα-helixtrans-63.5-24.3178.3-65.20000113.2L28 L39 L68L28-C32 WeakPolarHBondContact O-CB 3.46Å; L28-C32 PolarHBondContact O-N 2.81Å; L28-C32 PolarHBondContact O-SG 3.2Å; C32-L39 HydrophobicContact CB-CD1 3.94Å; C32-L68 HydrophobicContact CB-CD2 4.36Å
33K90.7Very high91.8Very high193 Ų19370.4 Ų70.484%0.83933%0.333SS*.THydrogen-bonded Turntrans-80.2-15.9174.3-170.1173.8179.1-175.30113.6K29 K30 I31K29-K33 WeakPolarHBondContact O-CB 3.5Å; K29-K33 PolarHBondContact O-N 3.44Å; K30-K33 PolarHBondContact O-N 3.14Å; I31-K33 PolarHBondContact O-N 3.29Å
34S89.9Confident91.9Very high72 Ų7271 Ų7150%0.50333%0.328SS..THydrogen-bonded Turntrans-83.4-20.7-172.975.40000114.9I31I31-S34 PolarHBondContact O-N 2.83Å; I31-S34 PolarHBondContact O-OG 3.26Å
35S90.1Very high92.1Very high41 Ų4169.6 Ų69.629%0.28732%0.324SS..  trans-164.8143.2173.2167.80000110.6E37 Q38 L39S35-E37 PolarHBondContact O-N 3.45Å; S35-E37 WeakPolarHBondContact OG-CB 3.35Å; S35-E37 PolarHBondContact OG-N 3.23Å; S35-E37 VanDerWaalsContact OG-N 3.12Å; S35-Q38 PolarHBondContact O-N 3.06Å; S35-Q38 VanDerWaalsContact O-N 3.1Å; S35-L39 PolarHBondContact O-N 2.59Å; S35-L39 VanDerWaalsContact O-N 3.1Å
36E89.6Confident92.2Very high130 Ų13069.1 Ų69.161%0.60732%0.322SS*.Hα-helixtrans-63.8-24.3173.9-59.5-167.5159.800112.8L39 S40E36-L39 PolarHBondContact O-N 3.01Å; E36-S40 VanDerWaalsContact O-CB 3.27Å; E36-S40 WeakPolarHBondContact O-CB 3.39Å; E36-S40 PolarHBondContact O-N 3.21Å; E36-S40 PolarHBondContact O-OG 2.95Å
37E90.4Very high92.3Very high145 Ų14562.7 Ų62.768%0.67829%0.294SS*.Hα-helixtrans-66.7-40.5172.1-59.1-178.313700111.5S35 S40 R41S35-E37 PolarHBondContact O-N 3.45Å; S35-E37 WeakPolarHBondContact OG-CB 3.35Å; S35-E37 PolarHBondContact OG-N 3.23Å; S35-E37 VanDerWaalsContact OG-N 3.12Å; E37-S40 CarbonylContact O-C 3.49Å; E37-S40 PolarHBondContact O-N 2.87Å; E37-R41 WeakPolarHBondContact O-CB 3.36Å; E37-R41 PolarHBondContact O-N 3.48Å
38Q89.8Confident92.4Very high25 Ų2560.7 Ų60.712%0.11729%0.293CS..Hα-helixtrans-71.7-36.1178.4-63.2-67.4-23.600110.5L5 I31 S35 R41 A42L5-Q38 HydrophobicContact CD2-CB 4.45Å; L5-Q38 WeakPolarHBondContact CD2-O 3.48Å; I31-Q38 HydrophobicContact CG2-CB 4.4Å; S35-Q38 PolarHBondContact O-N 3.06Å; S35-Q38 VanDerWaalsContact O-N 3.1Å; Q38-R41 PolarHBondContact O-N 3.03Å; Q38-A42 WeakPolarHBondContact O-CB 3.35Å; Q38-A42 PolarHBondContact O-N 2.85Å
39L92.8Very high92.4Very high8 Ų862.2 Ų62.24%0.04230%0.301CS..Hα-helixtrans-60.9-46168-176.872.1000111.9C32 S35 E36 R41 A42 Y43 S72 Q74 F75C32-L39 HydrophobicContact CB-CD1 3.94Å; S35-L39 PolarHBondContact O-N 2.59Å; S35-L39 VanDerWaalsContact O-N 3.1Å; E36-L39 PolarHBondContact O-N 3.01Å; L39-R41 VanDerWaalsContact C-N 3.25Å; L39-R41 PolarHBondContact O-N 2.92Å; L39-A42 PolarHBondContact O-N 2.99Å; L39-Y43 PolarHBondContact O-N 2.74Å; L39-S72 VanDerWaalsContact CD2-OG 3.3Å; L39-S72 WeakPolarHBondContact CD2-OG 3.35Å; L39-Q74 HydrophobicContact CD2-CB 3.98Å; L39-Q74 HydrophobicContact CD2-CG 4.14Å; L39-F75 HydrophobicContact CD1-CB 4.19Å; L39-F75 HydrophobicContact CD1-CD2 3.72Å; L39-F75 HydrophobicContact CD1-CG 4.33Å; L39-F75 HydrophobicContact CD2-CB 4.23Å; L39-F75 HydrophobicContact CG-CB 4.41Å; L39-F75 HydrophobicContact CG-CD2 4.1Å
40S92.3Very high92.5Very high28 Ų2859.4 Ų59.420%0.19629%0.288CS..Hα-helixtrans-70.8-20.1178.8-56.20000113E36 E37 R44E36-S40 VanDerWaalsContact O-CB 3.27Å; E36-S40 WeakPolarHBondContact O-CB 3.39Å; E36-S40 PolarHBondContact O-N 3.21Å; E36-S40 PolarHBondContact O-OG 2.95Å; E37-S40 CarbonylContact O-C 3.49Å; E37-S40 PolarHBondContact O-N 2.87Å; S40-R44 PolarHBondContact O-NE 3.37Å
41R91.5Very high92.5Very high77 Ų7754.2 Ų54.229%0.29127%0.271SS..Hα-helixtrans-80.4-43.5168.8-175.2174.2-172.5144.1-1.9111.6D2 L5 E37 Q38 L39 Y43 R44 L45D2-R41 IonicContact OD1-NH1 3.77Å; D2-R41 IonicContact OD2-CZ 2.78Å; D2-R41 IonicContact OD2-NH1 2.7Å; D2-R41 PolarHBondContact OD2-NH1 3.02Å; D2-R41 IonicContact OD2-NH2 3.64Å; L5-R41 HydrophobicContact CD2-CB 4.11Å; L5-R41 HydrophobicContact CD2-CG 4.04Å; E37-R41 WeakPolarHBondContact O-CB 3.36Å; E37-R41 PolarHBondContact O-N 3.48Å; Q38-R41 PolarHBondContact O-N 3.03Å; L39-R41 VanDerWaalsContact C-N 3.25Å; L39-R41 PolarHBondContact O-N 2.92Å; R41-Y43 VanDerWaalsContact C-N 3.31Å; R41-Y43 PolarHBondContact O-N 3.18Å; R41-R44 PolarHBondContact O-N 2.77Å; R41-L45 HydrophobicContact CG-CD1 4.23Å; R41-L45 WeakPolarHBondContact O-CG 3.42Å; R41-L45 PolarHBondContact O-N 2.97Å
42A93.5Very high92.6Very high0 Ų057.2 Ų57.20%028%0.284CS..Hα-helixtrans-58.1-4417400000111L5 Q38 L39 R44 L45 L46L5-A42 HydrophobicContact CD1-CB 4.3Å; L5-A42 HydrophobicContact CD2-CB 4.33Å; Q38-A42 WeakPolarHBondContact O-CB 3.35Å; Q38-A42 PolarHBondContact O-N 2.85Å; L39-A42 PolarHBondContact O-N 2.99Å; A42-R44 PolarHBondContact O-N 3.36Å; A42-L45 PolarHBondContact O-N 3.07Å; A42-L46 WeakPolarHBondContact O-CB 3.44Å; A42-L46 VanDerWaalsContact O-CG 3.24Å; A42-L46 WeakPolarHBondContact O-CG 3.48Å; A42-L46 PolarHBondContact O-N 3.5Å
43Y94.8Very high92.6Very high21 Ų2164.8 Ų64.88%0.08232%0.318CS..Hα-helixtrans-53.3-52.3172.5173.8-105000112.5L39 R41 L45 L46 I47 F75 L78 V79 N82L39-Y43 PolarHBondContact O-N 2.74Å; R41-Y43 VanDerWaalsContact C-N 3.31Å; R41-Y43 PolarHBondContact O-N 3.18Å; Y43-L45 VanDerWaalsContact C-N 3.34Å; Y43-L45 PolarHBondContact O-N 2.95Å; Y43-L46 PolarHBondContact O-N 3.42Å; Y43-L46 VanDerWaalsContact O-N 3.13Å; Y43-I47 HydrophobicContact CD2-CG1 4.34Å; Y43-I47 HydrophobicContact CE1-CG1 4.08Å; Y43-I47 HydrophobicContact CE2-CD1 3.84Å; Y43-I47 HydrophobicContact CE2-CG1 3.84Å; Y43-I47 WeakPolarHBondContact O-CG1 3.27Å; Y43-I47 PolarHBondContact O-N 3.33Å; Y43-F75 HydrophobicContact CD2-CE2 4.11Å; Y43-F75 HydrophobicContact CD2-CZ 4.24Å; Y43-F75 HydrophobicContact CG-CE2 4.47Å; Y43-L78 HydrophobicContact CD1-CB 3.96Å; Y43-L78 HydrophobicContact CD1-CD1 4.01Å; Y43-L78 HydrophobicContact CD1-CD2 4.32Å; Y43-L78 HydrophobicContact CD1-CG 4.33Å; Y43-L78 HydrophobicContact CD2-CB 3.89Å; Y43-L78 HydrophobicContact CE1-CB 4.01Å; Y43-L78 HydrophobicContact CE1-CD2 4.47Å; Y43-L78 HydrophobicContact CE2-CB 3.94Å; Y43-L78 HydrophobicContact CG-CB 3.91Å; Y43-L78 HydrophobicContact CG-CD1 3.87Å; Y43-L78 HydrophobicContact CG-CG 4.43Å; Y43-L78 PolarHBondContact OH-O 3.46Å; Y43-V79 HydrophobicContact CD2-CG2 4.13Å; Y43-V79 HydrophobicContact CE2-CG2 3.79Å; Y43-N82 WeakPolarHBondContact OH-CB 3.48Å
44R94.6Very high92.7Very high160 Ų16058.9 Ų58.960%0.60429%0.294SS*.Hα-helixtrans-61.7-38.8179.1-75.6176.6-73.2152.3-8.1113.1S40 R41 A42 A48S40-R44 PolarHBondContact O-NE 3.37Å; R41-R44 PolarHBondContact O-N 2.77Å; A42-R44 PolarHBondContact O-N 3.36Å; R44-A48 WeakPolarHBondContact O-CB 3.48Å; R44-A48 PolarHBondContact O-N 3.47Å; R44-A48 VanDerWaalsContact O-N 3.09Å
45L95.1Very high92.8Very high39 Ų3955.5 Ų55.520%0.20427%0.27CS..Hα-helixtrans-64.9-39.3174.2-69.5166.8000111.7L5 V9 R41 A42 Y43 A48 Q49L5-L45 HydrophobicContact CD2-CD1 4.43Å; L5-L45 HydrophobicContact CG-CD1 4.06Å; V9-L45 HydrophobicContact CG1-CB 4.15Å; V9-L45 HydrophobicContact CG2-CB 4.49Å; V9-L45 HydrophobicContact CG2-CD1 4.36Å; R41-L45 HydrophobicContact CG-CD1 4.23Å; R41-L45 WeakPolarHBondContact O-CG 3.42Å; R41-L45 PolarHBondContact O-N 2.97Å; A42-L45 PolarHBondContact O-N 3.07Å; Y43-L45 VanDerWaalsContact C-N 3.34Å; Y43-L45 PolarHBondContact O-N 2.95Å; L45-A48 PolarHBondContact O-N 3.41Å; L45-Q49 WeakPolarHBondContact O-CG 3.31Å; L45-Q49 PolarHBondContact O-N 2.67Å
46L95.4Very high93Very high0 Ų056.7 Ų56.70%027%0.271CS..Hα-helixtrans-70.4-38.3179-69.7166.3000112.7V9 A42 Y43 A48 Q49 L50 A61 I64 V65 L68 F75V9-L46 HydrophobicContact CG1-CD2 3.93Å; V9-L46 HydrophobicContact CG1-CG 4.43Å; A42-L46 WeakPolarHBondContact O-CB 3.44Å; A42-L46 VanDerWaalsContact O-CG 3.24Å; A42-L46 WeakPolarHBondContact O-CG 3.48Å; A42-L46 PolarHBondContact O-N 3.5Å; Y43-L46 PolarHBondContact O-N 3.42Å; Y43-L46 VanDerWaalsContact O-N 3.13Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-Q49 PolarHBondContact O-N 2.95Å; L46-L50 WeakPolarHBondContact O-CG 3.28Å; L46-L50 PolarHBondContact O-N 2.82Å; L46-A61 HydrophobicContact CD2-CB 4.29Å; L46-I64 HydrophobicContact CD1-CB 4.27Å; L46-I64 HydrophobicContact CD1-CG2 3.6Å; L46-I64 HydrophobicContact CD2-CB 3.75Å; L46-I64 HydrophobicContact CD2-CD1 3.7Å; L46-I64 HydrophobicContact CD2-CG1 4.31Å; L46-I64 HydrophobicContact CD2-CG2 3.74Å; L46-I64 HydrophobicContact CG-CG2 4.3Å; L46-V65 HydrophobicContact CB-CG2 4.07Å; L46-V65 HydrophobicContact CD1-CG2 4.09Å; L46-L68 HydrophobicContact CD1-CD1 3.95Å; L46-F75 HydrophobicContact CD1-CE2 4.29Å; L46-F75 HydrophobicContact CD1-CZ 3.97Å
47I94.6Very high93.2Very high23 Ų2351.9 Ų51.912%0.11825%0.249CC..Hα-helixtrans-61.3-43.4170.1-61.2-58.3000110.3Y43 Q49 L50 T51Y43-I47 HydrophobicContact CD2-CG1 4.34Å; Y43-I47 HydrophobicContact CE1-CG1 4.08Å; Y43-I47 HydrophobicContact CE2-CD1 3.84Å; Y43-I47 HydrophobicContact CE2-CG1 3.84Å; Y43-I47 WeakPolarHBondContact O-CG1 3.27Å; Y43-I47 PolarHBondContact O-N 3.33Å; I47-Q49 PolarHBondContact O-N 3.39Å; I47-L50 HydrophobicContact CD1-CD1 4.28Å; I47-L50 PolarHBondContact O-N 3.2Å; I47-T51 PolarHBondContact O-N 3.33Å; I47-T51 PolarHBondContact O-OG1 3.01Å
48A94.3Very high93.4Very high47 Ų4746.2 Ų46.239%0.38822%0.222SC..Hα-helixtrans-66.8-16.9176.800000114.8R44 L45 L46 T51 Q52R44-A48 WeakPolarHBondContact O-CB 3.48Å; R44-A48 PolarHBondContact O-N 3.47Å; R44-A48 VanDerWaalsContact O-N 3.09Å; L45-A48 PolarHBondContact O-N 3.41Å; L46-A48 VanDerWaalsContact C-N 3.33Å; A48-T51 PolarHBondContact O-OG1 3.21Å; A48-Q52 PolarHBondContact O-NE2 3.47Å
49Q94.1Very high93.6Very high32 Ų3245.4 Ų45.415%0.1522%0.218CC..Hα-helixtrans-89.7-31.7168.7-66.7-65.7-5.800111.8V9 T13 L45 L46 I47 T51 Q52 I57 A61V9-Q49 HydrophobicContact CG1-CG 4.32Å; T13-Q49 HydrophobicContact CG2-CB 4.13Å; T13-Q49 HydrophobicContact CG2-CG 4.05Å; L45-Q49 WeakPolarHBondContact O-CG 3.31Å; L45-Q49 PolarHBondContact O-N 2.67Å; L46-Q49 PolarHBondContact O-N 2.95Å; I47-Q49 PolarHBondContact O-N 3.39Å; Q49-T51 VanDerWaalsContact C-N 3.3Å; Q49-T51 PolarHBondContact O-N 3.45Å; Q49-Q52 WeakPolarHBondContact O-CB 3.31Å; Q49-Q52 WeakPolarHBondContact O-CG 3.33Å; Q49-Q52 PolarHBondContact O-N 3.05Å; Q49-I57 HydrophobicContact CB-CG2 4.11Å; Q49-A61 HydrophobicContact CB-CB 3.82Å
50L93.7Very high93.7Very high0 Ų045 Ų450%022%0.216CC..Hα-helixtrans-69.1-23.6172.9-76.4170.3000113.5L46 I47 R58 A61 F62 V65 F86 L89 T90L46-L50 WeakPolarHBondContact O-CG 3.28Å; L46-L50 PolarHBondContact O-N 2.82Å; I47-L50 HydrophobicContact CD1-CD1 4.28Å; I47-L50 PolarHBondContact O-N 3.2Å; L50-R58 HydrophobicContact CD2-CB 4.17Å; L50-R58 WeakPolarHBondContact CD2-O 3.21Å; L50-R58 VanDerWaalsContact O-CD 3.24Å; L50-R58 WeakPolarHBondContact O-CD 3.44Å; L50-R58 WeakPolarHBondContact O-CG 3.47Å; L50-R58 PolarHBondContact O-NE 3.09Å; L50-A61 HydrophobicContact CD2-CB 4.07Å; L50-A61 HydrophobicContact CG-CB 3.94Å; L50-F62 HydrophobicContact CD2-CB 4.3Å; L50-V65 HydrophobicContact CD1-CG2 4.31Å; L50-F86 HydrophobicContact CD1-CD2 3.99Å; L50-F86 HydrophobicContact CD1-CE2 3.95Å; L50-L89 HydrophobicContact CB-CB 4.42Å; L50-L89 HydrophobicContact CB-CD1 4.03Å; L50-T90 HydrophobicContact CD1-CG2 4.49Å; L50-T90 HydrophobicContact CD2-CG2 3.86Å
51T93.3Very high93.9Very high60 Ų6043.7 Ų43.737%0.36821%0.207SC..THydrogen-bonded Turntrans-78.7-17.7174.850.80000113.9I47 A48 Q49 R58 L89I47-T51 PolarHBondContact O-N 3.33Å; I47-T51 PolarHBondContact O-OG1 3.01Å; A48-T51 PolarHBondContact O-OG1 3.21Å; Q49-T51 VanDerWaalsContact C-N 3.3Å; Q49-T51 PolarHBondContact O-N 3.45Å; T51-R58 PolarHBondContact O-NH2 2.79Å; T51-L89 HydrophobicContact CG2-CD1 3.73Å; T51-L89 HydrophobicContact CG2-CD2 4.22Å
52Q92.5Very high94.1Very high88 Ų8840.2 Ų40.241%0.41119%0.194SC..SBendtrans-59.2149.3-177-60.4-59.6-36.900112.7A48 Q49 H54 I57 R58A48-Q52 PolarHBondContact O-NE2 3.47Å; Q49-Q52 WeakPolarHBondContact O-CB 3.31Å; Q49-Q52 WeakPolarHBondContact O-CG 3.33Å; Q49-Q52 PolarHBondContact O-N 3.05Å; Q52-H54 PolarHBondContact O-N 2.92Å; Q52-I57 HydrophobicContact CB-CG2 4.22Å; Q52-I57 HydrophobicContact CG-CG2 4.16Å; Q52-R58 PolarHBondContact O-NE 2.73Å; Q52-R58 PolarHBondContact O-NH2 2.79Å
53E90.9Very high94.2Very high171 Ų17142.5 Ų42.580%0.79921%0.205SC*.SBendtrans-80.635.4-180-60.4-168.8165.700113.3P100E53-P100 WeakPolarHBondContact O-CB 3.49Å
54H93.4Very high94.2Very high70 Ų7041.5 Ų41.532%0.32420%0.201SC..  trans-140121.3179.8-158.8-112000113Q52 E56 I57 R58Q52-H54 PolarHBondContact O-N 2.92Å; H54-E56 IonicContact CE1-OE2 2.66Å; H54-E56 PolarHBondContact CE1-OE2 2.65Å; H54-E56 PolarHBondContact O-N 3.02Å; H54-I57 HydrophobicContact CB-CB 4.38Å; H54-I57 HydrophobicContact CB-CD1 3.94Å; H54-I57 HydrophobicContact CB-CG1 4.06Å; H54-I57 PolarHBondContact O-N 3.42Å; H54-R58 PolarHBondContact O-N 3.28Å; H54-R58 VanDerWaalsContact O-N 3.15Å
55A92.7Very high94.3Very high0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-70.6-26.6-169.900000114.4R58 L59 P100 P101 A105 A106A55-R58 PolarHBondContact O-N 3.16Å; A55-L59 VanDerWaalsContact O-CB 3.26Å; A55-L59 WeakPolarHBondContact O-CB 3.22Å; A55-L59 PolarHBondContact O-N 3.41Å; A55-P100 HydrophobicContact CB-CG 4.29Å; A55-P100 WeakPolarHBondContact CB-O 3.34Å; A55-P101 PolarHBondContact N-O 3.29Å; A55-A105 HydrophobicContact CB-CB 3.88Å; A55-A106 HydrophobicContact CB-CB 3.91Å
56E93.7Very high94.3Very high66 Ų6635 Ų3531%0.30818%0.178SC..Hα-helixtrans-70.8-35.2175.4-64.9174.117900112.2H54 L59 S60 P102 A105H54-E56 IonicContact CE1-OE2 2.66Å; H54-E56 PolarHBondContact CE1-OE2 2.65Å; H54-E56 PolarHBondContact O-N 3.02Å; E56-L59 PolarHBondContact O-N 2.96Å; E56-S60 WeakPolarHBondContact O-CB 3.21Å; E56-S60 PolarHBondContact O-N 3.22Å; E56-S60 PolarHBondContact O-OG 3.34Å; E56-P102 HydrophobicContact CG-CG 4.02Å; E56-P102 WeakPolarHBondContact OE1-CG 3.39Å; E56-A105 HydrophobicContact CB-CB 4.49Å; E56-A105 HydrophobicContact CG-CB 3.55Å
57I94Very high94.2Very high30 Ų3037.3 Ų37.315%0.15419%0.189CC..Hα-helixtrans-66.9-46174.1-60.4-177.9000108.9T13 Q49 Q52 H54 L59 S60 A61T13-I57 WeakPolarHBondContact O-CA 3.43Å; Q49-I57 HydrophobicContact CB-CG2 4.11Å; Q52-I57 HydrophobicContact CB-CG2 4.22Å; Q52-I57 HydrophobicContact CG-CG2 4.16Å; H54-I57 HydrophobicContact CB-CB 4.38Å; H54-I57 HydrophobicContact CB-CD1 3.94Å; H54-I57 HydrophobicContact CB-CG1 4.06Å; H54-I57 PolarHBondContact O-N 3.42Å; I57-L59 PolarHBondContact O-N 3.33Å; I57-S60 PolarHBondContact O-N 2.88Å; I57-A61 WeakPolarHBondContact O-CB 3.45Å; I57-A61 PolarHBondContact O-N 3.27Å
58R94.8Very high94.2Very high26 Ų2636.6 Ų36.610%0.09819%0.185CC..Hα-helixtrans-61.3-43.1174.5-62.8-166.4-175.2-158.1-4.8112.7L50 T51 Q52 H54 A55 A61 F62 L89 L109L50-R58 HydrophobicContact CD2-CB 4.17Å; L50-R58 WeakPolarHBondContact CD2-O 3.21Å; L50-R58 VanDerWaalsContact O-CD 3.24Å; L50-R58 WeakPolarHBondContact O-CD 3.44Å; L50-R58 WeakPolarHBondContact O-CG 3.47Å; L50-R58 PolarHBondContact O-NE 3.09Å; T51-R58 PolarHBondContact O-NH2 2.79Å; Q52-R58 PolarHBondContact O-NE 2.73Å; Q52-R58 PolarHBondContact O-NH2 2.79Å; H54-R58 PolarHBondContact O-N 3.28Å; H54-R58 VanDerWaalsContact O-N 3.15Å; A55-R58 PolarHBondContact O-N 3.16Å; R58-A61 PolarHBondContact O-N 2.91Å; R58-F62 WeakPolarHBondContact O-CB 3.43Å; R58-F62 PolarHBondContact O-N 3.45Å; R58-L89 WeakPolarHBondContact CD-O 3.36Å; R58-L89 PolarHBondContact NH1-O 3.37Å; R58-L109 HydrophobicContact CB-CD2 3.54Å
59L94.4Very high94.3Very high7 Ų734.4 Ų34.44%0.03717%0.167CC..Hα-helixtrans-59.9-46.1175.817660.3000111.6A55 E56 I57 F62 Q63 R108 L109A55-L59 VanDerWaalsContact O-CB 3.26Å; A55-L59 WeakPolarHBondContact O-CB 3.22Å; A55-L59 PolarHBondContact O-N 3.41Å; E56-L59 PolarHBondContact O-N 2.96Å; I57-L59 PolarHBondContact O-N 3.33Å; L59-F62 PolarHBondContact O-N 3.11Å; L59-Q63 WeakPolarHBondContact O-CG 3.49Å; L59-Q63 PolarHBondContact O-N 2.9Å; L59-R108 HydrophobicContact CD2-CB 4.37Å; L59-L109 HydrophobicContact CB-CB 4.26Å; L59-L109 HydrophobicContact CD1-CB 4.17Å
60S94.7Very high94.2Very high1 Ų135.3 Ų35.31%0.00718%0.18CC..Hα-helixtrans-67.3-44.3179.3-57.90000111.5E56 I57 F62 Q63 I64E56-S60 WeakPolarHBondContact O-CB 3.21Å; E56-S60 PolarHBondContact O-N 3.22Å; E56-S60 PolarHBondContact O-OG 3.34Å; I57-S60 PolarHBondContact O-N 2.88Å; S60-F62 VanDerWaalsContact C-N 3.33Å; S60-F62 PolarHBondContact O-N 2.74Å; S60-Q63 PolarHBondContact O-N 3.46Å; S60-I64 WeakPolarHBondContact O-CG1 3.48Å; S60-I64 PolarHBondContact O-N 3.19Å
61A96Very high94.1Very high0 Ų043.3 Ų43.30%021%0.21CC..Hα-helixtrans-61.1-42.6174.900000111.6T13 L46 Q49 L50 I57 R58 I64 V65T13-A61 HydrophobicContact CG2-CB 3.9Å; L46-A61 HydrophobicContact CD2-CB 4.29Å; Q49-A61 HydrophobicContact CB-CB 3.82Å; L50-A61 HydrophobicContact CD2-CB 4.07Å; L50-A61 HydrophobicContact CG-CB 3.94Å; I57-A61 WeakPolarHBondContact O-CB 3.45Å; I57-A61 PolarHBondContact O-N 3.27Å; R58-A61 PolarHBondContact O-N 2.91Å; A61-I64 WeakPolarHBondContact O-CB 3.27Å; A61-I64 PolarHBondContact O-N 2.92Å; A61-V65 WeakPolarHBondContact O-CG2 3.3Å; A61-V65 PolarHBondContact O-N 3.4Å
62F96Very high94.1Very high4 Ų441.8 Ų41.82%0.01820%0.202CC..Hα-helixtrans-60.5-43.6174.7171.5-90.1000112.5L50 R58 L59 S60 I64 V65 D66 F86 T90 L109 A112 A113 A116L50-F62 HydrophobicContact CD2-CB 4.3Å; R58-F62 WeakPolarHBondContact O-CB 3.43Å; R58-F62 PolarHBondContact O-N 3.45Å; L59-F62 PolarHBondContact O-N 3.11Å; S60-F62 VanDerWaalsContact C-N 3.33Å; S60-F62 PolarHBondContact O-N 2.74Å; F62-I64 PolarHBondContact O-N 3.35Å; F62-V65 WeakPolarHBondContact O-CB 3.48Å; F62-V65 PolarHBondContact O-N 2.9Å; F62-V65 VanDerWaalsContact O-N 3.07Å; F62-D66 HydrophobicContact CZ-CB 4.47Å; F62-D66 PolarHBondContact O-N 3.2Å; F62-F86 HydrophobicContact CD2-CE2 4.34Å; F62-F86 AromaticContact CD2-CZ 3.85Å; F62-F86 HydrophobicContact CD2-CZ 3.85Å; F62-F86 AromaticContact CE2-CZ 3.89Å; F62-F86 HydrophobicContact CE2-CZ 3.89Å; F62-T90 HydrophobicContact CD2-CG2 3.97Å; F62-L109 HydrophobicContact CB-CD1 3.64Å; F62-L109 HydrophobicContact CD1-CD1 4.25Å; F62-L109 HydrophobicContact CD2-CD1 4.31Å; F62-L109 HydrophobicContact CG-CD1 3.78Å; F62-A112 HydrophobicContact CD1-CB 4.19Å; F62-A112 HydrophobicContact CE1-CB 3.64Å; F62-A112 HydrophobicContact CZ-CB 4.44Å; F62-A113 HydrophobicContact CD2-CB 4.23Å; F62-A113 HydrophobicContact CE2-CB 3.73Å; F62-A113 VanDerWaalsContact CZ-CA 3.45Å; F62-A113 HydrophobicContact CZ-CB 4.04Å; F62-A116 HydrophobicContact CE2-CB 4.39Å; F62-A116 HydrophobicContact CZ-CB 3.64Å
63Q95.2Very high94.1Very high48 Ų4842.8 Ų42.822%0.22421%0.206CC..Hα-helixtrans-61-31.8176-73.5-179.824.800112.5P18 L20 L59 S60P18-Q63 PolarHBondContact O-NE2 2.92Å; P18-Q63 VanDerWaalsContact O-NE2 3.08Å; L20-Q63 HydrophobicContact CD1-CB 3.69Å; L20-Q63 HydrophobicContact CG-CB 3.9Å; L59-Q63 WeakPolarHBondContact O-CG 3.49Å; L59-Q63 PolarHBondContact O-N 2.9Å; S60-Q63 PolarHBondContact O-N 3.46Å
64I95.1Very high94.1Very high0 Ų037.8 Ų37.80%018%0.183CC..Hα-helixtrans-72-43.5172.8-58.9167.6000110.3L12 T13 L20 M25 L28 L46 S60 A61 F62 D66 L68L12-I64 HydrophobicContact CB-CD1 3.95Å; L12-I64 HydrophobicContact CD1-CD1 4.27Å; T13-I64 HydrophobicContact CG2-CD1 3.95Å; L20-I64 HydrophobicContact CD1-CB 4.41Å; L20-I64 HydrophobicContact CD1-CG1 3.5Å; L20-I64 HydrophobicContact CD2-CD1 4.33Å; L20-I64 HydrophobicContact CD2-CG1 3.97Å; L20-I64 HydrophobicContact CG-CG1 4.4Å; M25-I64 HydrophobicContact CE-CB 4.36Å; M25-I64 HydrophobicContact CE-CG2 3.98Å; M25-I64 HydrophobicContact SD-CG1 4.28Å; M25-I64 HydrophobicContact SD-CG2 4.24Å; L28-I64 HydrophobicContact CD2-CD1 4.24Å; L28-I64 HydrophobicContact CD2-CG1 4.48Å; L28-I64 HydrophobicContact CD2-CG2 3.56Å; L46-I64 HydrophobicContact CD1-CB 4.27Å; L46-I64 HydrophobicContact CD1-CG2 3.6Å; L46-I64 HydrophobicContact CD2-CB 3.75Å; L46-I64 HydrophobicContact CD2-CD1 3.7Å; L46-I64 HydrophobicContact CD2-CG1 4.31Å; L46-I64 HydrophobicContact CD2-CG2 3.74Å; L46-I64 HydrophobicContact CG-CG2 4.3Å; S60-I64 WeakPolarHBondContact O-CG1 3.48Å; S60-I64 PolarHBondContact O-N 3.19Å; A61-I64 WeakPolarHBondContact O-CB 3.27Å; A61-I64 PolarHBondContact O-N 2.92Å; F62-I64 PolarHBondContact O-N 3.35Å; I64-D66 PolarHBondContact O-N 3.06Å; I64-L68 HydrophobicContact CG2-CD1 3.87Å; I64-L68 HydrophobicContact CG2-CG 4.36Å; I64-L68 WeakPolarHBondContact O-CG 3.35Å; I64-L68 PolarHBondContact O-N 3.13Å; I64-L68 VanDerWaalsContact O-N 3.13Å
65V96.1Very high94.2Very high2 Ų234.4 Ų34.41%0.01217%0.167CC..Hα-helixtrans-58.3-45.5179167.70000111.4L46 L50 A61 F62 L68 F69 F75 V79 F86 W120L46-V65 HydrophobicContact CB-CG2 4.07Å; L46-V65 HydrophobicContact CD1-CG2 4.09Å; L50-V65 HydrophobicContact CD1-CG2 4.31Å; A61-V65 WeakPolarHBondContact O-CG2 3.3Å; A61-V65 PolarHBondContact O-N 3.4Å; F62-V65 WeakPolarHBondContact O-CB 3.48Å; F62-V65 PolarHBondContact O-N 2.9Å; F62-V65 VanDerWaalsContact O-N 3.07Å; V65-L68 PolarHBondContact O-N 3.44Å; V65-F69 WeakPolarHBondContact O-CB 3.41Å; V65-F69 PolarHBondContact O-N 3.26Å; V65-F75 HydrophobicContact CB-CE1 4.35Å; V65-F75 HydrophobicContact CG1-CE1 4.03Å; V65-F75 HydrophobicContact CG2-CE1 4.48Å; V65-F75 HydrophobicContact CG2-CZ 4.23Å; V65-F75 WeakPolarHBondContact O-CE1 3.32Å; V65-V79 HydrophobicContact CG1-CG2 4.17Å; V65-F86 HydrophobicContact CG1-CE2 3.77Å; V65-F86 HydrophobicContact CG1-CZ 4.01Å; V65-W120 HydrophobicContact CG1-CH2 4.16Å
66D95.3Very high94.2Very high60 Ų6035.9 Ų35.932%0.32117%0.173SC..Hα-helixtrans-61.9-50.5-178.9-17841.5000113.2F62 I64 L68 F69 A70 W120F62-D66 HydrophobicContact CZ-CB 4.47Å; F62-D66 PolarHBondContact O-N 3.2Å; I64-D66 PolarHBondContact O-N 3.06Å; D66-L68 VanDerWaalsContact C-N 3.26Å; D66-L68 PolarHBondContact O-N 2.86Å; D66-F69 PolarHBondContact O-N 3.08Å; D66-F69 VanDerWaalsContact O-N 3.15Å; D66-A70 PolarHBondContact O-N 2.89Å; D66-W120 HydrophobicContact CB-CZ2 4.17Å; D66-W120 PolarHBondContact OD1-NE1 2.96Å
67E93.8Very high94.2Very high49 Ų4937 Ų3723%0.22918%0.179CC..Hα-helixtrans-65.4-26.4178168.871.415700112.9M25 K29 R71M25-E67 HydrophobicContact CE-CB 3.73Å; M25-E67 HydrophobicContact CE-CG 3.41Å; M25-E67 VanDerWaalsContact CE-CG 3.41Å; K29-E67 HydrophobicContact CD-CG 4.02Å; K29-E67 IonicContact NZ-OE1 3.49Å; K29-E67 PolarHBondContact NZ-OE1 3.01Å; E67-R71 WeakPolarHBondContact O-CD 3.42Å; E67-R71 VanDerWaalsContact O-CG 3.29Å; E67-R71 WeakPolarHBondContact O-CG 3.43Å; E67-R71 IonicContact OE1-CZ 2.78Å; E67-R71 VanDerWaalsContact OE1-CZ 3.27Å; E67-R71 IonicContact OE1-NE 2.69Å; E67-R71 PolarHBondContact OE1-NE 3.27Å; E67-R71 IonicContact OE1-NH2 3.97Å; E67-R71 PolarHBondContact OE1-NH2 3.47Å; E67-R71 IonicContact OE2-CZ 3.44Å; E67-R71 IonicContact OE2-NE 2.63Å; E67-R71 PolarHBondContact OE2-NE 3.07Å; E67-R71 IonicContact OE2-NH2 3.13Å; E67-R71 PolarHBondContact OE2-NH2 2.94Å; E67-R71 VanDerWaalsContact OE2-NH2 3.14Å
68L94.5Very high94.2Very high8 Ų837.3 Ų37.34%0.04218%0.181CC..Hα-helixtrans-81.1-37.8171-68.7179.3000112.5K29 C32 L46 I64 V65 D66 R71 S72 F75K29-L68 HydrophobicContact CG-CD2 4.33Å; C32-L68 HydrophobicContact CB-CD2 4.36Å; L46-L68 HydrophobicContact CD1-CD1 3.95Å; I64-L68 HydrophobicContact CG2-CD1 3.87Å; I64-L68 HydrophobicContact CG2-CG 4.36Å; I64-L68 WeakPolarHBondContact O-CG 3.35Å; I64-L68 PolarHBondContact O-N 3.13Å; I64-L68 VanDerWaalsContact O-N 3.13Å; V65-L68 PolarHBondContact O-N 3.44Å; D66-L68 VanDerWaalsContact C-N 3.26Å; D66-L68 PolarHBondContact O-N 2.86Å; L68-R71 PolarHBondContact O-N 3.27Å; L68-S72 PolarHBondContact O-N 2.92Å; L68-F75 HydrophobicContact CB-CD1 3.62Å; L68-F75 HydrophobicContact CB-CD2 4.16Å; L68-F75 HydrophobicContact CB-CE1 3.56Å; L68-F75 HydrophobicContact CB-CE2 4.1Å; L68-F75 HydrophobicContact CB-CG 3.92Å; L68-F75 HydrophobicContact CB-CZ 3.81Å; L68-F75 HydrophobicContact CD1-CD2 4.26Å; L68-F75 HydrophobicContact CD1-CE1 4.43Å; L68-F75 HydrophobicContact CD1-CE2 3.7Å; L68-F75 HydrophobicContact CD1-CZ 3.8Å; L68-F75 HydrophobicContact CG-CZ 4.47Å
69F95.6Very high94.2Very high0 Ų036.2 Ų36.20%018%0.177CC..Hα-helixtrans-63.8-42.8177.3-170.3-79.9000111.2V65 D66 R71 F75 R76 V79 V80 W120 F124 L131V65-F69 WeakPolarHBondContact O-CB 3.41Å; V65-F69 PolarHBondContact O-N 3.26Å; D66-F69 PolarHBondContact O-N 3.08Å; D66-F69 VanDerWaalsContact O-N 3.15Å; F69-R71 VanDerWaalsContact C-N 3.27Å; F69-R71 PolarHBondContact O-N 2.75Å; F69-F75 HydrophobicContact CB-CD1 4.31Å; F69-R76 HydrophobicContact CD1-CG 3.72Å; F69-R76 HydrophobicContact CD2-CB 4.28Å; F69-R76 HydrophobicContact CD2-CG 3.77Å; F69-R76 HydrophobicContact CE1-CG 3.68Å; F69-R76 HydrophobicContact CE2-CB 3.97Å; F69-R76 HydrophobicContact CE2-CG 3.76Å; F69-R76 HydrophobicContact CG-CG 3.74Å; F69-R76 HydrophobicContact CZ-CB 4.1Å; F69-R76 HydrophobicContact CZ-CG 3.71Å; F69-R76 WeakPolarHBondContact O-CD 3.24Å; F69-R76 WeakPolarHBondContact O-CG 3.45Å; F69-R76 PolarHBondContact O-NH1 3.1Å; F69-V79 HydrophobicContact CD2-CB 3.83Å; F69-V79 HydrophobicContact CD2-CG1 3.85Å; F69-V79 HydrophobicContact CD2-CG2 4.12Å; F69-V79 HydrophobicContact CE2-CB 3.91Å; F69-V79 HydrophobicContact CE2-CG1 3.83Å; F69-V80 HydrophobicContact CE2-CG2 4.07Å; F69-V80 HydrophobicContact CZ-CG2 4.16Å; F69-W120 HydrophobicContact CB-CH2 4.37Å; F69-W120 HydrophobicContact CB-CZ2 3.99Å; F69-W120 HydrophobicContact CD1-CB 4.38Å; F69-W120 AromaticContact CD1-CD1 3.78Å; F69-W120 AromaticContact CD1-CD2 3.39Å; F69-W120 HydrophobicContact CD1-CD2 3.39Å; F69-W120 AromaticContact CD1-CE2 3.56Å; F69-W120 AromaticContact CD1-CE3 3.88Å; F69-W120 HydrophobicContact CD1-CE3 3.88Å; F69-W120 AromaticContact CD1-CG 3.6Å; F69-W120 HydrophobicContact CD1-CG 3.6Å; F69-W120 HydrophobicContact CD1-CZ2 4.2Å; F69-W120 HydrophobicContact CD1-CZ3 4.43Å; F69-W120 AromaticContact CD1-NE1 3.74Å; F69-W120 HydrophobicContact CD2-CD2 4.29Å; F69-W120 AromaticContact CD2-CE3 3.98Å; F69-W120 HydrophobicContact CD2-CE3 3.98Å; F69-W120 HydrophobicContact CD2-CH2 4.08Å; F69-W120 HydrophobicContact CD2-CZ2 4.4Å; F69-W120 AromaticContact CD2-CZ3 3.85Å; F69-W120 HydrophobicContact CD2-CZ3 3.85Å; F69-W120 HydrophobicContact CE1-CB 3.72Å; F69-W120 AromaticContact CE1-CD2 3.4Å; F69-W120 HydrophobicContact CE1-CD2 3.4Å; F69-W120 AromaticContact CE1-CE3 3.65Å; F69-W120 HydrophobicContact CE1-CE3 3.65Å; F69-W120 AromaticContact CE1-CG 3.41Å; F69-W120 HydrophobicContact CE1-CG 3.41Å; F69-W120 VanDerWaalsContact CE1-CG 3.41Å; F69-W120 HydrophobicContact CE1-CZ3 4.48Å; F69-W120 HydrophobicContact CE2-CD2 4.28Å; F69-W120 AromaticContact CE2-CE3 3.74Å; F69-W120 HydrophobicContact CE2-CE3 3.74Å; F69-W120 AromaticContact CE2-CZ3 3.89Å; F69-W120 HydrophobicContact CE2-CZ3 3.89Å; F69-W120 AromaticContact CG-CD2 3.89Å; F69-W120 HydrophobicContact CG-CD2 3.89Å; F69-W120 AromaticContact CG-CE2 3.79Å; F69-W120 HydrophobicContact CG-CE3 4.05Å; F69-W120 HydrophobicContact CG-CH2 4.1Å; F69-W120 AromaticContact CG-CZ2 3.95Å; F69-W120 HydrophobicContact CG-CZ2 3.95Å; F69-W120 HydrophobicContact CG-CZ3 4.14Å; F69-W120 HydrophobicContact CZ-CB 4.35Å; F69-W120 AromaticContact CZ-CD2 3.87Å; F69-W120 HydrophobicContact CZ-CD2 3.87Å; F69-W120 AromaticContact CZ-CE3 3.58Å; F69-W120 HydrophobicContact CZ-CE3 3.58Å; F69-W120 HydrophobicContact CZ-CG 4.2Å; F69-W120 HydrophobicContact CZ-CZ3 4.22Å; F69-F124 HydrophobicContact CD1-CE2 4.41Å; F69-F124 AromaticContact CE1-CD2 3.88Å; F69-F124 HydrophobicContact CE1-CD2 3.88Å; F69-F124 HydrophobicContact CE1-CE2 4.19Å; F69-L131 HydrophobicContact CZ-CD2 4.26Å
70A92.8Very high94.1Very high51 Ų5136.4 Ų36.442%0.42118%0.178SC..Hα-helixtrans-58.7-38.4173.800000112.3D66 R76D66-A70 PolarHBondContact O-N 2.89Å; A70-R76 PolarHBondContact O-NH1 3.22Å
71R90.8Very high94Very high168 Ų16839.6 Ų39.663%0.63420%0.201SC*.Hα-helixtrans-95.8-23.5-167.6-66.6-178.9-171.2-1002.8116.5E67 L68 F69E67-R71 WeakPolarHBondContact O-CD 3.42Å; E67-R71 VanDerWaalsContact O-CG 3.29Å; E67-R71 WeakPolarHBondContact O-CG 3.43Å; E67-R71 IonicContact OE1-CZ 2.78Å; E67-R71 VanDerWaalsContact OE1-CZ 3.27Å; E67-R71 IonicContact OE1-NE 2.69Å; E67-R71 PolarHBondContact OE1-NE 3.27Å; E67-R71 IonicContact OE1-NH2 3.97Å; E67-R71 PolarHBondContact OE1-NH2 3.47Å; E67-R71 IonicContact OE2-CZ 3.44Å; E67-R71 IonicContact OE2-NE 2.63Å; E67-R71 PolarHBondContact OE2-NE 3.07Å; E67-R71 IonicContact OE2-NH2 3.13Å; E67-R71 PolarHBondContact OE2-NH2 2.94Å; E67-R71 VanDerWaalsContact OE2-NH2 3.14Å; L68-R71 PolarHBondContact O-N 3.27Å; F69-R71 VanDerWaalsContact C-N 3.27Å; F69-R71 PolarHBondContact O-N 2.75Å
72S93.7Very high93.7Very high29 Ų2942 Ų4220%0.20321%0.214CC..  trans-128.6122-171.9178.50000113.8L39 L68 Q74 F75 R76L39-S72 VanDerWaalsContact CD2-OG 3.3Å; L39-S72 WeakPolarHBondContact CD2-OG 3.35Å; L68-S72 PolarHBondContact O-N 2.92Å; S72-Q74 PolarHBondContact O-N 3.1Å; S72-F75 PolarHBondContact O-N 2.92Å; S72-F75 PolarHBondContact OG-N 3.42Å; S72-R76 WeakPolarHBondContact O-CG 3.49Å; S72-R76 PolarHBondContact O-N 3.38Å
73H92Very high93.5Very high109 Ų10941.9 Ų41.951%0.50521%0.213SC..Hα-helixtrans-59.1-44.3174.5178.6100.6000112.1F75 R76 M77 Y128H73-F75 VanDerWaalsContact C-N 3.3Å; H73-F75 PolarHBondContact O-N 2.98Å; H73-R76 WeakPolarHBondContact O-CB 3.28Å; H73-R76 PolarHBondContact O-N 3.12Å; H73-M77 PolarHBondContact O-N 3.45Å; H73-Y128 PolarHBondContact CE1-OH 2.77Å; H73-Y128 PolarHBondContact ND1-OH 3.04Å
74Q91.8Very high93.1Very high65 Ų6541.5 Ų41.530%0.30421%0.211SC..Hα-helixtrans-65.5-34.9-179.8-179.359.92.100111.8L39 S72 M77 L78L39-Q74 HydrophobicContact CD2-CB 3.98Å; L39-Q74 HydrophobicContact CD2-CG 4.14Å; S72-Q74 PolarHBondContact O-N 3.1Å; Q74-M77 PolarHBondContact O-N 3.07Å; Q74-L78 WeakPolarHBondContact O-CG 3.26Å; Q74-L78 PolarHBondContact O-N 3.29Å; Q74-L78 VanDerWaalsContact O-N 3.16Å
75F94.6Very high92.8Very high0 Ų044.9 Ų44.90%023%0.227CC..Hα-helixtrans-69.3-39.1174.2-162.9-95.3000112L39 Y43 L46 V65 L68 F69 S72 H73 M77 L78 V79L39-F75 HydrophobicContact CD1-CB 4.19Å; L39-F75 HydrophobicContact CD1-CD2 3.72Å; L39-F75 HydrophobicContact CD1-CG 4.33Å; L39-F75 HydrophobicContact CD2-CB 4.23Å; L39-F75 HydrophobicContact CG-CB 4.41Å; L39-F75 HydrophobicContact CG-CD2 4.1Å; Y43-F75 HydrophobicContact CD2-CE2 4.11Å; Y43-F75 HydrophobicContact CD2-CZ 4.24Å; Y43-F75 HydrophobicContact CG-CE2 4.47Å; L46-F75 HydrophobicContact CD1-CE2 4.29Å; L46-F75 HydrophobicContact CD1-CZ 3.97Å; V65-F75 HydrophobicContact CB-CE1 4.35Å; V65-F75 HydrophobicContact CG1-CE1 4.03Å; V65-F75 HydrophobicContact CG2-CE1 4.48Å; V65-F75 HydrophobicContact CG2-CZ 4.23Å; V65-F75 WeakPolarHBondContact O-CE1 3.32Å; L68-F75 HydrophobicContact CB-CD1 3.62Å; L68-F75 HydrophobicContact CB-CD2 4.16Å; L68-F75 HydrophobicContact CB-CE1 3.56Å; L68-F75 HydrophobicContact CB-CE2 4.1Å; L68-F75 HydrophobicContact CB-CG 3.92Å; L68-F75 HydrophobicContact CB-CZ 3.81Å; L68-F75 HydrophobicContact CD1-CD2 4.26Å; L68-F75 HydrophobicContact CD1-CE1 4.43Å; L68-F75 HydrophobicContact CD1-CE2 3.7Å; L68-F75 HydrophobicContact CD1-CZ 3.8Å; L68-F75 HydrophobicContact CG-CZ 4.47Å; F69-F75 HydrophobicContact CB-CD1 4.31Å; S72-F75 PolarHBondContact O-N 2.92Å; S72-F75 PolarHBondContact OG-N 3.42Å; H73-F75 VanDerWaalsContact C-N 3.3Å; H73-F75 PolarHBondContact O-N 2.98Å; F75-M77 PolarHBondContact O-N 2.96Å; F75-L78 PolarHBondContact O-N 2.98Å; F75-V79 HydrophobicContact CD1-CG2 3.98Å; F75-V79 HydrophobicContact CE1-CG2 3.74Å; F75-V79 HydrophobicContact CZ-CG2 4.4Å; F75-V79 WeakPolarHBondContact O-CG2 3.4Å; F75-V79 PolarHBondContact O-N 3.32Å
76R94.7Very high92.6Very high30 Ų3044.9 Ų44.911%0.11323%0.227CC..Hα-helixtrans-59.1-45.2171.6-69.1-168.5-73.2-96.312.2111.8F69 A70 S72 H73 L78 V79 V80 Y128F69-R76 HydrophobicContact CD1-CG 3.72Å; F69-R76 HydrophobicContact CD2-CB 4.28Å; F69-R76 HydrophobicContact CD2-CG 3.77Å; F69-R76 HydrophobicContact CE1-CG 3.68Å; F69-R76 HydrophobicContact CE2-CB 3.97Å; F69-R76 HydrophobicContact CE2-CG 3.76Å; F69-R76 HydrophobicContact CG-CG 3.74Å; F69-R76 HydrophobicContact CZ-CB 4.1Å; F69-R76 HydrophobicContact CZ-CG 3.71Å; F69-R76 WeakPolarHBondContact O-CD 3.24Å; F69-R76 WeakPolarHBondContact O-CG 3.45Å; F69-R76 PolarHBondContact O-NH1 3.1Å; A70-R76 PolarHBondContact O-NH1 3.22Å; S72-R76 WeakPolarHBondContact O-CG 3.49Å; S72-R76 PolarHBondContact O-N 3.38Å; H73-R76 WeakPolarHBondContact O-CB 3.28Å; H73-R76 PolarHBondContact O-N 3.12Å; R76-L78 VanDerWaalsContact C-N 3.32Å; R76-L78 PolarHBondContact O-N 2.94Å; R76-V79 PolarHBondContact O-N 3.11Å; R76-V80 WeakPolarHBondContact O-CB 3.5Å; R76-V80 WeakPolarHBondContact O-CG2 3.19Å; R76-V80 PolarHBondContact O-N 2.85Å; R76-Y128 HydrophobicContact CB-CE1 4.45Å; R76-Y128 HydrophobicContact CB-CE2 3.96Å; R76-Y128 WeakPolarHBondContact CB-OH 3.38Å; R76-Y128 HydrophobicContact CG-CE2 4.43Å; R76-Y128 PolarHBondContact NE-OH 3.33Å
77M93.4Very high92.4Very high91 Ų9142.2 Ų42.245%0.44821%0.213SC..Hα-helixtrans-57.6-43.1176.4-76.3-65.5-7300112.3H73 Q74 F75 S81 Y128H73-M77 PolarHBondContact O-N 3.45Å; Q74-M77 PolarHBondContact O-N 3.07Å; F75-M77 PolarHBondContact O-N 2.96Å; M77-S81 VanDerWaalsContact O-CB 3.3Å; M77-S81 WeakPolarHBondContact O-CB 3.3Å; M77-S81 PolarHBondContact O-N 2.78Å; M77-Y128 HydrophobicContact CG-CE1 4.24Å; M77-Y128 HydrophobicContact SD-CD1 4.17Å; M77-Y128 HydrophobicContact SD-CE1 3.69Å
78L94.3Very high92.1Very high36 Ų3641.8 Ų41.819%0.18821%0.211CC..Hα-helixtrans-62.2-52.8175.6-68.3170.6000112Y43 Q74 F75 R76 V80 S81 N82Y43-L78 HydrophobicContact CD1-CB 3.96Å; Y43-L78 HydrophobicContact CD1-CD1 4.01Å; Y43-L78 HydrophobicContact CD1-CD2 4.32Å; Y43-L78 HydrophobicContact CD1-CG 4.33Å; Y43-L78 HydrophobicContact CD2-CB 3.89Å; Y43-L78 HydrophobicContact CE1-CB 4.01Å; Y43-L78 HydrophobicContact CE1-CD2 4.47Å; Y43-L78 HydrophobicContact CE2-CB 3.94Å; Y43-L78 HydrophobicContact CG-CB 3.91Å; Y43-L78 HydrophobicContact CG-CD1 3.87Å; Y43-L78 HydrophobicContact CG-CG 4.43Å; Y43-L78 PolarHBondContact OH-O 3.46Å; Q74-L78 WeakPolarHBondContact O-CG 3.26Å; Q74-L78 PolarHBondContact O-N 3.29Å; Q74-L78 VanDerWaalsContact O-N 3.16Å; F75-L78 PolarHBondContact O-N 2.98Å; R76-L78 VanDerWaalsContact C-N 3.32Å; R76-L78 PolarHBondContact O-N 2.94Å; L78-V80 PolarHBondContact O-N 3.22Å; L78-S81 WeakPolarHBondContact O-CB 3.36Å; L78-S81 PolarHBondContact O-N 3.5Å; L78-S81 PolarHBondContact O-OG 3.34Å; L78-N82 PolarHBondContact O-N 2.88Å
79V93.8Very high91.9Very high2 Ų242.3 Ų42.31%0.01221%0.213CC..Hα-helixtrans-63.1-42.8-179.7173.90000111.8Y43 V65 F69 F75 R76 S81 N82 F83 F86 W120Y43-V79 HydrophobicContact CD2-CG2 4.13Å; Y43-V79 HydrophobicContact CE2-CG2 3.79Å; V65-V79 HydrophobicContact CG1-CG2 4.17Å; F69-V79 HydrophobicContact CD2-CB 3.83Å; F69-V79 HydrophobicContact CD2-CG1 3.85Å; F69-V79 HydrophobicContact CD2-CG2 4.12Å; F69-V79 HydrophobicContact CE2-CB 3.91Å; F69-V79 HydrophobicContact CE2-CG1 3.83Å; F75-V79 HydrophobicContact CD1-CG2 3.98Å; F75-V79 HydrophobicContact CE1-CG2 3.74Å; F75-V79 HydrophobicContact CZ-CG2 4.4Å; F75-V79 WeakPolarHBondContact O-CG2 3.4Å; F75-V79 PolarHBondContact O-N 3.32Å; R76-V79 PolarHBondContact O-N 3.11Å; V79-S81 VanDerWaalsContact C-N 3.31Å; V79-S81 PolarHBondContact O-N 3.46Å; V79-N82 CarbonylContact O-C 3.56Å; V79-N82 PolarHBondContact O-N 2.84Å; V79-F83 HydrophobicContact CG1-CD2 4.42Å; V79-F83 WeakPolarHBondContact O-CA 3.45Å; V79-F83 PolarHBondContact O-N 3.5Å; V79-F83 VanDerWaalsContact O-N 3.09Å; V79-F86 HydrophobicContact CG1-CD1 4.28Å; V79-F86 HydrophobicContact CG1-CG 4.28Å; V79-W120 HydrophobicContact CG1-CZ3 4.11Å
80V93.2Very high91.7Very high11 Ų1142.3 Ų42.37%0.06721%0.213CC..Hα-helixtrans-67.3-31.3177.6171.60000111.7F69 R76 L78 N82 Y128 K130 L131F69-V80 HydrophobicContact CE2-CG2 4.07Å; F69-V80 HydrophobicContact CZ-CG2 4.16Å; R76-V80 WeakPolarHBondContact O-CB 3.5Å; R76-V80 WeakPolarHBondContact O-CG2 3.19Å; R76-V80 PolarHBondContact O-N 2.85Å; L78-V80 PolarHBondContact O-N 3.22Å; V80-N82 VanDerWaalsContact C-N 3.29Å; V80-N82 PolarHBondContact O-N 3.03Å; V80-Y128 HydrophobicContact CG1-CD1 4.44Å; V80-Y128 HydrophobicContact CG2-CD1 4.41Å; V80-Y128 HydrophobicContact CG2-CG 4.14Å; V80-K130 HydrophobicContact CG1-CB 3.69Å; V80-K130 HydrophobicContact CG1-CD 4.47Å; V80-K130 VanDerWaalsContact O-CD 3.32Å; V80-K130 WeakPolarHBondContact O-CD 3.29Å; V80-L131 HydrophobicContact CG2-CB 4.41Å
81S91.3Very high91.3Very high69 Ų6940.1 Ų40.148%0.48320%0.195SC..Hα-helixtrans-61.1-41.5176.478.10000111.5M77 L78 V79 K130M77-S81 VanDerWaalsContact O-CB 3.3Å; M77-S81 WeakPolarHBondContact O-CB 3.3Å; M77-S81 PolarHBondContact O-N 2.78Å; L78-S81 WeakPolarHBondContact O-CB 3.36Å; L78-S81 PolarHBondContact O-N 3.5Å; L78-S81 PolarHBondContact O-OG 3.34Å; V79-S81 VanDerWaalsContact C-N 3.31Å; V79-S81 PolarHBondContact O-N 3.46Å; S81-K130 PolarHBondContact O-NZ 3.26Å
82N90.6Very high90.9Very high49 Ų4932.6 Ų32.626%0.26217%0.17SC..THydrogen-bonded Turntrans-10931.4-176.6-161.226.4000113.5Y43 L78 V79 V80 Q84 E85 F86Y43-N82 WeakPolarHBondContact OH-CB 3.48Å; L78-N82 PolarHBondContact O-N 2.88Å; V79-N82 CarbonylContact O-C 3.56Å; V79-N82 PolarHBondContact O-N 2.84Å; V80-N82 VanDerWaalsContact C-N 3.29Å; V80-N82 PolarHBondContact O-N 3.03Å; N82-Q84 PolarHBondContact O-N 3.47Å; N82-Q84 VanDerWaalsContact O-N 3.11Å; N82-E85 PolarHBondContact ND2-OE2 3.49Å; N82-E85 PolarHBondContact O-N 2.93Å; N82-F86 PolarHBondContact O-N 3.2Å
83F90.6Very high89.9Confident2 Ų232.1 Ų32.11%0.00917%0.166CC..Hα-helixtrans-63.5-23.9-168.5-163.8-129.2000113.8V79 F86 L87 V117 W120 L131 F704V79-F83 HydrophobicContact CG1-CD2 4.42Å; V79-F83 WeakPolarHBondContact O-CA 3.45Å; V79-F83 PolarHBondContact O-N 3.5Å; V79-F83 VanDerWaalsContact O-N 3.09Å; F83-F86 AromaticContact CD2-CD1 3.92Å; F83-F86 HydrophobicContact CD2-CD1 3.92Å; F83-F86 AromaticContact CE2-CD1 3.86Å; F83-F86 HydrophobicContact CE2-CD1 3.86Å; F83-F86 HydrophobicContact CE2-CE1 4.26Å; F83-L87 HydrophobicContact CD1-CD1 4Å; F83-L87 HydrophobicContact CD1-CG 4.4Å; F83-L87 HydrophobicContact CE1-CD1 3.77Å; F83-L87 HydrophobicContact CE1-CD2 4.35Å; F83-L87 HydrophobicContact CE1-CG 4.19Å; F83-L87 HydrophobicContact CE2-CD2 4.18Å; F83-L87 HydrophobicContact CE2-CG 4.34Å; F83-L87 HydrophobicContact CZ-CD1 4.17Å; F83-L87 HydrophobicContact CZ-CD2 3.9Å; F83-L87 HydrophobicContact CZ-CG 4.14Å; F83-L87 VanDerWaalsContact O-CG 3.27Å; F83-L87 WeakPolarHBondContact O-CG 3.46Å; F83-L87 PolarHBondContact O-N 3.17Å; F83-V117 HydrophobicContact CE2-CG2 4.32Å; F83-V117 HydrophobicContact CZ-CG1 3.95Å; F83-V117 HydrophobicContact CZ-CG2 4Å; F83-W120 HydrophobicContact CE2-CE3 4.44Å; F83-W120 HydrophobicContact CE2-CZ3 4.22Å; F83-L131 HydrophobicContact CE1-CD1 3.85Å; F83-L131 HydrophobicContact CE2-CD1 3.94Å; F83-L131 HydrophobicContact CZ-CD1 3.43Å; F83-L131 VanDerWaalsContact CZ-CD1 3.43Å; F83-F704 HydrophobicContact CB-CE1 4.47Å; F83-F704 HydrophobicContact CB-CZ 4.2Å; F83-F704 HydrophobicContact CD1-CE1 4.13Å; F83-F704 HydrophobicContact CD1-CZ 4.03Å
84Q88.1Confident88.9Confident40 Ų4027.7 Ų27.719%0.18715%0.146CC..Hα-helixtrans-69.8-53.8179.1-161.6-165.3-62.200112.2N82 F86 L87 E88 F704 N705N82-Q84 PolarHBondContact O-N 3.47Å; N82-Q84 VanDerWaalsContact O-N 3.11Å; Q84-F86 PolarHBondContact O-N 3.32Å; Q84-L87 PolarHBondContact O-N 2.76Å; Q84-L87 VanDerWaalsContact O-N 3.14Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.35Å; Q84-E88 PolarHBondContact NE2-OE1 3.2Å; Q84-E88 WeakPolarHBondContact O-CG 3.46Å; Q84-E88 PolarHBondContact O-N 2.91Å; Q84-F704 HydrophobicContact CB-CE1 3.96Å; Q84-F704 HydrophobicContact CG-CD1 4.42Å; Q84-F704 HydrophobicContact CG-CE1 4.33Å; Q84-N705 PolarHBondContact OE1-ND2 3.47Å
85E88.8Confident87.7Confident71 Ų7128.4 Ų28.433%0.33216%0.156SC..Hα-helixtrans-59.3-38.8175.7-172.9-173.8175.600110.4N82 L87 E88 L89N82-E85 PolarHBondContact ND2-OE2 3.49Å; N82-E85 PolarHBondContact O-N 2.93Å; E85-L87 PolarHBondContact O-N 2.9Å; E85-E88 PolarHBondContact O-N 2.98Å; E85-L89 HydrophobicContact CG-CD1 3.95Å; E85-L89 HydrophobicContact CG-CG 4.25Å; E85-L89 WeakPolarHBondContact O-CB 3.42Å; E85-L89 VanDerWaalsContact O-CG 3.3Å; E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 2.99Å
86F92Very high86.6Confident2 Ų231.2 Ų31.21%0.00918%0.179CC..Hα-helixtrans-59.1-45175.2178.2-102.1000113L50 F62 V65 V79 N82 F83 Q84 T90 W120L50-F86 HydrophobicContact CD1-CD2 3.99Å; L50-F86 HydrophobicContact CD1-CE2 3.95Å; F62-F86 HydrophobicContact CD2-CE2 4.34Å; F62-F86 AromaticContact CD2-CZ 3.85Å; F62-F86 HydrophobicContact CD2-CZ 3.85Å; F62-F86 AromaticContact CE2-CZ 3.89Å; F62-F86 HydrophobicContact CE2-CZ 3.89Å; V65-F86 HydrophobicContact CG1-CE2 3.77Å; V65-F86 HydrophobicContact CG1-CZ 4.01Å; V79-F86 HydrophobicContact CG1-CD1 4.28Å; V79-F86 HydrophobicContact CG1-CG 4.28Å; N82-F86 PolarHBondContact O-N 3.2Å; F83-F86 AromaticContact CD2-CD1 3.92Å; F83-F86 HydrophobicContact CD2-CD1 3.92Å; F83-F86 AromaticContact CE2-CD1 3.86Å; F83-F86 HydrophobicContact CE2-CD1 3.86Å; F83-F86 HydrophobicContact CE2-CE1 4.26Å; Q84-F86 PolarHBondContact O-N 3.32Å; F86-T90 HydrophobicContact CD2-CG2 4.12Å; F86-T90 HydrophobicContact CE2-CG2 3.72Å; F86-T90 HydrophobicContact CZ-CG2 3.95Å; F86-T90 WeakPolarHBondContact O-CB 3.47Å; F86-T90 WeakPolarHBondContact O-CG2 3.33Å; F86-T90 PolarHBondContact O-N 3.38Å; F86-T90 VanDerWaalsContact O-N 3.12Å; F86-T90 PolarHBondContact O-OG1 2.99Å; F86-W120 AromaticContact CE1-CH2 3.74Å; F86-W120 HydrophobicContact CE1-CH2 3.74Å; F86-W120 AromaticContact CE1-CZ3 3.69Å; F86-W120 HydrophobicContact CE1-CZ3 3.69Å; F86-W120 AromaticContact CZ-CH2 3.66Å; F86-W120 HydrophobicContact CZ-CH2 3.66Å; F86-W120 HydrophobicContact CZ-CZ3 4.1Å
87L89.4Confident85.6Confident4 Ų435.6 Ų35.62%0.02120%0.201CC..Hα-helixtrans-68.5-37.2176-69.2178.2000112.3F83 Q84 E85 L91 T93 V117 L138F83-L87 HydrophobicContact CD1-CD1 4Å; F83-L87 HydrophobicContact CD1-CG 4.4Å; F83-L87 HydrophobicContact CE1-CD1 3.77Å; F83-L87 HydrophobicContact CE1-CD2 4.35Å; F83-L87 HydrophobicContact CE1-CG 4.19Å; F83-L87 HydrophobicContact CE2-CD2 4.18Å; F83-L87 HydrophobicContact CE2-CG 4.34Å; F83-L87 HydrophobicContact CZ-CD1 4.17Å; F83-L87 HydrophobicContact CZ-CD2 3.9Å; F83-L87 HydrophobicContact CZ-CG 4.14Å; F83-L87 VanDerWaalsContact O-CG 3.27Å; F83-L87 WeakPolarHBondContact O-CG 3.46Å; F83-L87 PolarHBondContact O-N 3.17Å; Q84-L87 PolarHBondContact O-N 2.76Å; Q84-L87 VanDerWaalsContact O-N 3.14Å; E85-L87 PolarHBondContact O-N 2.9Å; L87-L91 HydrophobicContact CD2-CD1 3.87Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 3.33Å; L87-T93 HydrophobicContact CB-CG2 4.33Å; L87-V117 HydrophobicContact CD2-CG2 3.88Å; L87-L138 HydrophobicContact CD1-CD1 4.2Å; L87-L138 HydrophobicContact CD1-CG 4.42Å; L87-L138 HydrophobicContact CD2-CD1 4.03Å
88E88.6Confident85.1Confident41 Ų4135.9 Ų35.919%0.19221%0.209CC..Hα-helixtrans-61.8-47.8175.3-72.3165.1-168.900110.8Q84 E85 T90 G92 T93Q84-E88 WeakPolarHBondContact CG-OE1 3.35Å; Q84-E88 PolarHBondContact NE2-OE1 3.2Å; Q84-E88 WeakPolarHBondContact O-CG 3.46Å; Q84-E88 PolarHBondContact O-N 2.91Å; E85-E88 PolarHBondContact O-N 2.98Å; E88-T90 PolarHBondContact O-N 2.99Å; E88-G92 VanDerWaalsContact O-CA 3.31Å; E88-G92 WeakPolarHBondContact O-CA 3.5Å; E88-G92 PolarHBondContact O-N 3.09Å; E88-G92 VanDerWaalsContact O-N 3.1Å; E88-T93 WeakPolarHBondContact CA-OG1 3.4Å; E88-T93 VanDerWaalsContact CG-OG1 3.31Å; E88-T93 WeakPolarHBondContact CG-OG1 3.44Å
89L90.6Very high84.8Confident18 Ų1835.4 Ų35.49%0.09421%0.207CC..Hα-helixtrans-70.2-28.2-179.6-67.8176.5000114.7L50 T51 R58 E85 L99L50-L89 HydrophobicContact CB-CB 4.42Å; L50-L89 HydrophobicContact CB-CD1 4.03Å; T51-L89 HydrophobicContact CG2-CD1 3.73Å; T51-L89 HydrophobicContact CG2-CD2 4.22Å; R58-L89 WeakPolarHBondContact CD-O 3.36Å; R58-L89 PolarHBondContact NH1-O 3.37Å; E85-L89 HydrophobicContact CG-CD1 3.95Å; E85-L89 HydrophobicContact CG-CG 4.25Å; E85-L89 WeakPolarHBondContact O-CB 3.42Å; E85-L89 VanDerWaalsContact O-CG 3.3Å; E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 2.99Å; L89-L99 VanDerWaalsContact O-CD2 3.29Å; L89-L99 WeakPolarHBondContact O-CD2 3.05Å
90T90.3Very high84.6Confident0 Ų036 Ų360%021%0.211CC..Hα-helixtrans-103.3-34.4-173.257.50000115L50 F62 F86 E88 L109L50-T90 HydrophobicContact CD1-CG2 4.49Å; L50-T90 HydrophobicContact CD2-CG2 3.86Å; F62-T90 HydrophobicContact CD2-CG2 3.97Å; F86-T90 HydrophobicContact CD2-CG2 4.12Å; F86-T90 HydrophobicContact CE2-CG2 3.72Å; F86-T90 HydrophobicContact CZ-CG2 3.95Å; F86-T90 WeakPolarHBondContact O-CB 3.47Å; F86-T90 WeakPolarHBondContact O-CG2 3.33Å; F86-T90 PolarHBondContact O-N 3.38Å; F86-T90 VanDerWaalsContact O-N 3.12Å; F86-T90 PolarHBondContact O-OG1 2.99Å; E88-T90 PolarHBondContact O-N 2.99Å; T90-L109 HydrophobicContact CG2-CD1 4.35Å; T90-L109 WeakPolarHBondContact O-CG 3.37Å
91L85.8Confident84.4Confident6 Ų639.7 Ų39.73%0.03124%0.235CC..Hα-helixtrans-100.4-25.4176.7-61.9176.9000112.4L87 T93 R110 A113 T114 L138L87-L91 HydrophobicContact CD2-CD1 3.87Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 3.33Å; L91-T93 HydrophobicContact CB-CG2 4.08Å; L91-T93 HydrophobicContact CD1-CG2 4.28Å; L91-R110 HydrophobicContact CD2-CG 3.99Å; L91-R110 WeakPolarHBondContact CD2-O 3.44Å; L91-R110 VanDerWaalsContact O-CZ 3.29Å; L91-R110 PolarHBondContact O-NE 2.72Å; L91-R110 PolarHBondContact O-NH2 3.12Å; L91-A113 HydrophobicContact CD2-CB 3.61Å; L91-A113 HydrophobicContact CG-CB 4.28Å; L91-T114 WeakPolarHBondContact CD2-OG1 3.4Å; L91-L138 HydrophobicContact CD1-CD1 3.79Å; L91-L138 HydrophobicContact CD1-CD2 3.68Å; L91-L138 HydrophobicContact CD1-CG 4.41Å
92G80.9Confident84.4Confident10 Ų1038.4 Ų38.410%0.10323%0.225CC..  trans67.252.6-165.900000110.8E88 D94E88-G92 VanDerWaalsContact O-CA 3.31Å; E88-G92 WeakPolarHBondContact O-CA 3.5Å; E88-G92 PolarHBondContact O-N 3.09Å; E88-G92 VanDerWaalsContact O-N 3.1Å; G92-D94 PolarHBondContact O-N 2.84Å
93T72.9Confident84.2Confident19 Ų1946.2 Ų46.212%0.11725%0.251CS..  trans-66.9-21.2177.945.30000113.4L87 E88 L91 L138 K142L87-T93 HydrophobicContact CB-CG2 4.33Å; E88-T93 WeakPolarHBondContact CA-OG1 3.4Å; E88-T93 VanDerWaalsContact CG-OG1 3.31Å; E88-T93 WeakPolarHBondContact CG-OG1 3.44Å; L91-T93 HydrophobicContact CB-CG2 4.08Å; L91-T93 HydrophobicContact CD1-CG2 4.28Å; T93-L138 HydrophobicContact CG2-CD2 3.72Å; T93-K142 PolarHBondContact O-NZ 2.91Å
94D72.3Confident84.1Confident16 Ų1653.2 Ų53.29%0.08628%0.283CS..SBendtrans-91.2117.8175177.719.7000110.9G92 A96 Q97 N702G92-D94 PolarHBondContact O-N 2.84Å; D94-A96 PolarHBondContact O-N 3Å; D94-A96 PolarHBondContact OD1-N 3.4Å; D94-Q97 HydrophobicContact CB-CB 4.34Å; D94-Q97 CarbonylContact O-C 3.39Å; D94-Q97 PolarHBondContact O-N 2.93Å; D94-Q97 PolarHBondContact OD2-NE2 2.78Å; D94-N702 PolarHBondContact OD1-ND2 3.39Å
95P66.6Low84.2Confident80 Ų8051.7 Ų51.752%0.51928%0.278SS..THydrogen-bonded Turntrans-66.3-13.9176.829.3-36.8000114.2
96A69.7Low84.3Confident59 Ų5948.8 Ų48.849%0.48827%0.266SS..THydrogen-bonded Turntrans-81.5-20.3171.800000113.1D94 P98D94-A96 PolarHBondContact O-N 3Å; D94-A96 PolarHBondContact OD1-N 3.4Å; A96-P98 WeakPolarHBondContact O-CD 3.44Å
97Q74.7Confident84.1Confident122 Ų12253 Ų5357%0.5729%0.286SS*.SBendtrans-127.172.7-179-68.6176.88900110.6D94D94-Q97 HydrophobicContact CB-CB 4.34Å; D94-Q97 CarbonylContact O-C 3.39Å; D94-Q97 PolarHBondContact O-N 2.93Å; D94-Q97 PolarHBondContact OD2-NE2 2.78Å
98P83Confident84.1Confident97 Ų9758.1 Ų58.163%0.6331%0.305SS*.PPolyproline II helixtrans-63.4158.3173.529.8-36.1000111.2A96A96-P98 WeakPolarHBondContact O-CD 3.44Å
99L86.9Confident84.3Confident25 Ų2556.2 Ų56.213%0.13130%0.296CS..PPolyproline II helixtrans-60.3140.4174.1-65.3177.1000111.1L89 A106 L109 R110L89-L99 VanDerWaalsContact O-CD2 3.29Å; L89-L99 WeakPolarHBondContact O-CD2 3.05Å; L99-A106 HydrophobicContact CB-CB 3.77Å; L99-A106 HydrophobicContact CD1-CB 4.18Å; L99-A106 WeakPolarHBondContact CD1-O 3.29Å; L99-L109 HydrophobicContact CD1-CD2 4.47Å; L99-L109 HydrophobicContact CD2-CD2 4.26Å; L99-R110 HydrophobicContact CD1-CB 4.07Å
100P89.9Confident84.3Confident15 Ų1557.1 Ų57.110%0.09730%0.298CS..PPolyproline II helixtrans-66169-178.425.4-34.1000113.2E53 A55E53-P100 WeakPolarHBondContact O-CB 3.49Å; A55-P100 HydrophobicContact CB-CG 4.29Å; A55-P100 WeakPolarHBondContact CB-O 3.34Å
101P89.1Confident84.2Confident88 Ų8859.1 Ų59.157%0.57131%0.307SS*.SBendtrans-65.8162.2167.730.1-36.1000112.3A55A55-P101 PolarHBondContact N-O 3.29Å
102P91.7Very high84.5Confident43 Ų4360.3 Ų60.328%0.27932%0.318SS..PPolyproline II helixcis-77.6151.8-6.829.6-32.6000112.9E56 E104 A105 A106E56-P102 HydrophobicContact CG-CG 4.02Å; E56-P102 WeakPolarHBondContact OE1-CG 3.39Å; P102-E104 VanDerWaalsContact C-N 3.35Å; P102-E104 PolarHBondContact O-N 2.89Å; P102-A105 HydrophobicContact CG-CB 3.89Å; P102-A105 PolarHBondContact O-N 3.12Å; P102-A106 PolarHBondContact O-N 3.2Å
103R87Confident85Confident212 Ų21259.8 Ų59.880%0.831%0.313SS*.Hα-helixtrans-60.6-38.3-171-70.8-175.1179.4175.32.9113.8A106 Q107R103-A106 WeakPolarHBondContact O-CB 3.37Å; R103-A106 PolarHBondContact O-N 2.83Å; R103-Q107 WeakPolarHBondContact O-CG 3.46Å; R103-Q107 PolarHBondContact O-N 2.67Å
104E88Confident85.8Confident149 Ų14959.1 Ų59.170%0.69631%0.309SS*.Hα-helixtrans-68.3-43.1-179.3-62.5-179.8-169.800111.5P102 A106 Q107 R108P102-E104 VanDerWaalsContact C-N 3.35Å; P102-E104 PolarHBondContact O-N 2.89Å; E104-A106 VanDerWaalsContact C-N 3.31Å; E104-A106 PolarHBondContact O-N 3.48Å; E104-Q107 PolarHBondContact O-N 3.44Å; E104-R108 WeakPolarHBondContact O-CB 3.28Å; E104-R108 VanDerWaalsContact O-CG 3.26Å; E104-R108 WeakPolarHBondContact O-CG 3.41Å; E104-R108 PolarHBondContact O-N 3.41Å
105A90.4Very high86.7Confident8 Ų865.5 Ų65.57%0.06633%0.332CS..Hα-helixtrans-62.6-39.9173.600000111.4A55 E56 P102 R108 L109A55-A105 HydrophobicContact CB-CB 3.88Å; E56-A105 HydrophobicContact CB-CB 4.49Å; E56-A105 HydrophobicContact CG-CB 3.55Å; P102-A105 HydrophobicContact CG-CB 3.89Å; P102-A105 PolarHBondContact O-N 3.12Å; A105-R108 PolarHBondContact O-N 2.92Å; A105-L109 VanDerWaalsContact O-CB 3.27Å; A105-L109 WeakPolarHBondContact O-CB 3.44Å; A105-L109 PolarHBondContact O-N 2.66Å
106A89.9Confident87.9Confident11 Ų1162.2 Ų62.29%0.09131%0.311CS..Hα-helixtrans-63.4-42.117500000112.8A55 L99 P102 R103 E104 L109 R110A55-A106 HydrophobicContact CB-CB 3.91Å; L99-A106 HydrophobicContact CB-CB 3.77Å; L99-A106 HydrophobicContact CD1-CB 4.18Å; L99-A106 WeakPolarHBondContact CD1-O 3.29Å; P102-A106 PolarHBondContact O-N 3.2Å; R103-A106 WeakPolarHBondContact O-CB 3.37Å; R103-A106 PolarHBondContact O-N 2.83Å; E104-A106 VanDerWaalsContact C-N 3.31Å; E104-A106 PolarHBondContact O-N 3.48Å; A106-L109 PolarHBondContact O-N 3.45Å; A106-R110 WeakPolarHBondContact O-CB 3.3Å; A106-R110 PolarHBondContact O-N 2.86Å
107Q88.5Confident89Confident89 Ų8959.4 Ų59.442%0.41629%0.288SS..Hα-helixtrans-62.8-46.8173.2-75.4171.7-15.800111.4R103 E104 L109 R110 Q111R103-Q107 WeakPolarHBondContact O-CG 3.46Å; R103-Q107 PolarHBondContact O-N 2.67Å; E104-Q107 PolarHBondContact O-N 3.44Å; Q107-L109 VanDerWaalsContact C-N 3.34Å; Q107-L109 PolarHBondContact O-N 3.14Å; Q107-R110 PolarHBondContact O-N 3.32Å; Q107-Q111 WeakPolarHBondContact O-CB 3.22Å; Q107-Q111 VanDerWaalsContact O-CG 3.24Å; Q107-Q111 WeakPolarHBondContact O-CG 3.33Å; Q107-Q111 PolarHBondContact O-N 3.31Å
108R90.1Very high89.7Confident113 Ų11356 Ų5643%0.42627%0.272SS..Hα-helixtrans-64.7-36.5179-67.2173.388.7-106.80.6112.2L59 E104 A105 A112L59-R108 HydrophobicContact CD2-CB 4.37Å; E104-R108 WeakPolarHBondContact O-CB 3.28Å; E104-R108 VanDerWaalsContact O-CG 3.26Å; E104-R108 WeakPolarHBondContact O-CG 3.41Å; E104-R108 PolarHBondContact O-N 3.41Å; A105-R108 PolarHBondContact O-N 2.92Å; R108-A112 VanDerWaalsContact O-CB 3.27Å; R108-A112 WeakPolarHBondContact O-CB 3.3Å; R108-A112 PolarHBondContact O-N 3.19Å
109L92.2Very high90.1Very high0 Ų052 Ų520%025%0.248CC..Hα-helixtrans-62.7-51.2170.8167.661.4000111.2R58 L59 F62 T90 L99 A105 A106 Q107 Q111 A112 A113R58-L109 HydrophobicContact CB-CD2 3.54Å; L59-L109 HydrophobicContact CB-CB 4.26Å; L59-L109 HydrophobicContact CD1-CB 4.17Å; F62-L109 HydrophobicContact CB-CD1 3.64Å; F62-L109 HydrophobicContact CD1-CD1 4.25Å; F62-L109 HydrophobicContact CD2-CD1 4.31Å; F62-L109 HydrophobicContact CG-CD1 3.78Å; T90-L109 HydrophobicContact CG2-CD1 4.35Å; T90-L109 WeakPolarHBondContact O-CG 3.37Å; L99-L109 HydrophobicContact CD1-CD2 4.47Å; L99-L109 HydrophobicContact CD2-CD2 4.26Å; A105-L109 VanDerWaalsContact O-CB 3.27Å; A105-L109 WeakPolarHBondContact O-CB 3.44Å; A105-L109 PolarHBondContact O-N 2.66Å; A106-L109 PolarHBondContact O-N 3.45Å; Q107-L109 VanDerWaalsContact C-N 3.34Å; Q107-L109 PolarHBondContact O-N 3.14Å; L109-Q111 PolarHBondContact O-N 3.05Å; L109-A112 PolarHBondContact O-N 2.87Å; L109-A113 WeakPolarHBondContact O-CB 3.2Å; L109-A113 PolarHBondContact O-N 3.12Å
110R89.8Confident90.5Very high38 Ų3851.1 Ų51.114%0.14324%0.244CC..Hα-helixtrans-57.8-47.6178.1-175.6-178.3-81.7-168.8-8.8111.3L91 L99 A106 Q107 A112 A113 T114 A151 E156L91-R110 HydrophobicContact CD2-CG 3.99Å; L91-R110 WeakPolarHBondContact CD2-O 3.44Å; L91-R110 VanDerWaalsContact O-CZ 3.29Å; L91-R110 PolarHBondContact O-NE 2.72Å; L91-R110 PolarHBondContact O-NH2 3.12Å; L99-R110 HydrophobicContact CD1-CB 4.07Å; A106-R110 WeakPolarHBondContact O-CB 3.3Å; A106-R110 PolarHBondContact O-N 2.86Å; Q107-R110 PolarHBondContact O-N 3.32Å; R110-A112 PolarHBondContact O-N 3.27Å; R110-A113 PolarHBondContact O-N 3.5Å; R110-T114 WeakPolarHBondContact O-CB 3.31Å; R110-T114 PolarHBondContact O-N 2.72Å; R110-T114 PolarHBondContact O-OG1 3.04Å; R110-A151 HydrophobicContact CG-CB 4.24Å; R110-E156 IonicContact CZ-OE1 2.66Å; R110-E156 IonicContact NH1-OE1 3.56Å; R110-E156 PolarHBondContact NH1-OE1 3Å; R110-E156 IonicContact NH1-OE2 3.68Å; R110-E156 PolarHBondContact NH1-OE2 3.47Å; R110-E156 IonicContact NH2-OE1 2.69Å; R110-E156 PolarHBondContact NH2-OE1 3.16Å
111Q89.2Confident90.6Very high41 Ų4152.1 Ų52.119%0.19225%0.248CC..Hα-helixtrans-57.7-46.3175.6-71.2170.324.600112.6Q107 L109 R115 T149 N150Q107-Q111 WeakPolarHBondContact O-CB 3.22Å; Q107-Q111 VanDerWaalsContact O-CG 3.24Å; Q107-Q111 WeakPolarHBondContact O-CG 3.33Å; Q107-Q111 PolarHBondContact O-N 3.31Å; L109-Q111 PolarHBondContact O-N 3.05Å; Q111-R115 WeakPolarHBondContact O-CG 3.33Å; Q111-R115 PolarHBondContact O-N 2.96Å; Q111-T149 WeakPolarHBondContact CG-O 3.17Å; Q111-T149 PolarHBondContact NE2-O 2.89Å; Q111-N150 PolarHBondContact NE2-OD1 3.05Å
112A91.2Very high90.7Very high31 Ų3154.8 Ų54.826%0.25625%0.253SS..Hα-helixtrans-68.1-42.4-178.700000111.8F62 R108 L109 R110 R115 A116F62-A112 HydrophobicContact CD1-CB 4.19Å; F62-A112 HydrophobicContact CE1-CB 3.64Å; F62-A112 HydrophobicContact CZ-CB 4.44Å; R108-A112 VanDerWaalsContact O-CB 3.27Å; R108-A112 WeakPolarHBondContact O-CB 3.3Å; R108-A112 PolarHBondContact O-N 3.19Å; L109-A112 PolarHBondContact O-N 2.87Å; R110-A112 PolarHBondContact O-N 3.27Å; A112-R115 PolarHBondContact O-N 2.92Å; A112-A116 VanDerWaalsContact O-CB 3.29Å; A112-A116 WeakPolarHBondContact O-CB 3.38Å; A112-A116 PolarHBondContact O-N 3.49Å
113A92.3Very high90.8Very high0 Ų060.1 Ų60.10%027%0.271CS..Hα-helixtrans-65.1-42.5176.500000112.6F62 L91 L109 R110 R115 A116 V117F62-A113 HydrophobicContact CD2-CB 4.23Å; F62-A113 HydrophobicContact CE2-CB 3.73Å; F62-A113 VanDerWaalsContact CZ-CA 3.45Å; F62-A113 HydrophobicContact CZ-CB 4.04Å; L91-A113 HydrophobicContact CD2-CB 3.61Å; L91-A113 HydrophobicContact CG-CB 4.28Å; L109-A113 WeakPolarHBondContact O-CB 3.2Å; L109-A113 PolarHBondContact O-N 3.12Å; R110-A113 PolarHBondContact O-N 3.5Å; A113-R115 PolarHBondContact O-N 3.47Å; A113-A116 PolarHBondContact O-N 3.47Å; A113-V117 WeakPolarHBondContact O-CB 3.49Å; A113-V117 VanDerWaalsContact O-CG2 3.28Å; A113-V117 WeakPolarHBondContact O-CG2 3.27Å; A113-V117 PolarHBondContact O-N 3.39Å
114T89.5Confident91.1Very high4 Ų452.1 Ų52.13%0.02524%0.243CC..Hα-helixtrans-58.6-49.7175.3-63.70000111.4L91 R110 V117 E118 V144 F146 A151L91-T114 WeakPolarHBondContact CD2-OG1 3.4Å; R110-T114 WeakPolarHBondContact O-CB 3.31Å; R110-T114 PolarHBondContact O-N 2.72Å; R110-T114 PolarHBondContact O-OG1 3.04Å; T114-V117 PolarHBondContact O-N 2.97Å; T114-E118 PolarHBondContact O-N 3.31Å; T114-E118 VanDerWaalsContact O-N 3.17Å; T114-V144 HydrophobicContact CG2-CG1 4.18Å; T114-F146 HydrophobicContact CG2-CB 4.35Å; T114-F146 HydrophobicContact CG2-CD1 3.34Å; T114-F146 HydrophobicContact CG2-CE1 3.66Å; T114-F146 HydrophobicContact CG2-CG 3.87Å; T114-F146 HydrophobicContact CG2-CZ 4.41Å; T114-A151 HydrophobicContact CG2-CB 4.04Å; T114-A151 WeakPolarHBondContact OG1-CB 3.47Å
115R90.2Very high91.1Very high150 Ų15045.3 Ų45.357%0.56621%0.213SC*.Hα-helixtrans-65.4-39.1179.1-67.7173.9-168.9145.49.9112.7Q111 A112 A113 G119Q111-R115 WeakPolarHBondContact O-CG 3.33Å; Q111-R115 PolarHBondContact O-N 2.96Å; A112-R115 PolarHBondContact O-N 2.92Å; A113-R115 PolarHBondContact O-N 3.47Å; R115-G119 PolarHBondContact O-N 3.15Å
116A92.7Very high91.1Very high11 Ų1154.4 Ų54.49%0.09125%0.253CS..Hα-helixtrans-67.4-45.8177.600000111.5F62 A112 A113 E118 G119 W120F62-A116 HydrophobicContact CE2-CB 4.39Å; F62-A116 HydrophobicContact CZ-CB 3.64Å; A112-A116 VanDerWaalsContact O-CB 3.29Å; A112-A116 WeakPolarHBondContact O-CB 3.38Å; A112-A116 PolarHBondContact O-N 3.49Å; A113-A116 PolarHBondContact O-N 3.47Å; A116-E118 VanDerWaalsContact C-N 3.27Å; A116-E118 PolarHBondContact O-N 2.91Å; A116-G119 CarbonylContact O-C 3.44Å; A116-G119 PolarHBondContact O-N 3.04Å; A116-W120 HydrophobicContact CB-CZ2 4.06Å; A116-W120 VanDerWaalsContact O-CB 3.28Å; A116-W120 WeakPolarHBondContact O-CB 3.31Å; A116-W120 PolarHBondContact O-N 3.24Å
117V91.9Very high91.1Very high0 Ų057.6 Ų57.60%028%0.28CS..Hα-helixtrans-61.2-36.7178.9168.80000111.8F83 L87 A113 T114 N121 Y135 L138F83-V117 HydrophobicContact CE2-CG2 4.32Å; F83-V117 HydrophobicContact CZ-CG1 3.95Å; F83-V117 HydrophobicContact CZ-CG2 4Å; L87-V117 HydrophobicContact CD2-CG2 3.88Å; A113-V117 WeakPolarHBondContact O-CB 3.49Å; A113-V117 VanDerWaalsContact O-CG2 3.28Å; A113-V117 WeakPolarHBondContact O-CG2 3.27Å; A113-V117 PolarHBondContact O-N 3.39Å; T114-V117 PolarHBondContact O-N 2.97Å; V117-N121 VanDerWaalsContact O-CB 3.31Å; V117-N121 WeakPolarHBondContact O-CB 3.48Å; V117-N121 PolarHBondContact O-N 3.45Å; V117-Y135 HydrophobicContact CG1-CD2 4.43Å; V117-L138 HydrophobicContact CG1-CD1 3.94Å
118E90Very high91.2Very high50 Ų5054.1 Ų54.123%0.23426%0.263CS..Hα-helixtrans-63.8-56.4171.1-173150.6-114.100111.8T114 A116 W120 N121 E122 Y135 F146T114-E118 PolarHBondContact O-N 3.31Å; T114-E118 VanDerWaalsContact O-N 3.17Å; A116-E118 VanDerWaalsContact C-N 3.27Å; A116-E118 PolarHBondContact O-N 2.91Å; E118-W120 PolarHBondContact O-N 3.29Å; E118-N121 WeakPolarHBondContact O-CA 3.48Å; E118-N121 WeakPolarHBondContact O-CB 3.31Å; E118-N121 PolarHBondContact O-N 3.43Å; E118-E122 WeakPolarHBondContact O-CG 3.3Å; E118-E122 PolarHBondContact O-N 2.85Å; E118-Y135 HydrophobicContact CB-CD2 4.4Å; E118-Y135 HydrophobicContact CB-CE2 3.85Å; E118-Y135 HydrophobicContact CG-CE2 3.75Å; E118-Y135 WeakPolarHBondContact OE1-CE2 3.4Å; E118-Y135 PolarHBondContact OE1-OH 3.44Å; E118-F146 HydrophobicContact CB-CD1 3.91Å; E118-F146 HydrophobicContact CB-CE1 4.04Å; E118-F146 HydrophobicContact CG-CD1 4.36Å
119G91.4Very high91.1Very high13 Ų1356.8 Ų56.813%0.13428%0.278CS..Hα-helixtrans-66.1-19.8179.600000115.1R115 A116 K123R115-G119 PolarHBondContact O-N 3.15Å; A116-G119 CarbonylContact O-C 3.44Å; A116-G119 PolarHBondContact O-N 3.04Å; G119-K123 VanDerWaalsContact O-CD 3.27Å; G119-K123 WeakPolarHBondContact O-CD 3.34Å; G119-K123 VanDerWaalsContact O-CG 3.31Å; G119-K123 WeakPolarHBondContact O-CG 3.43Å
120W94.7Very high90.9Very high8 Ų860.9 Ų60.93%0.0330%0.296CS..Hα-helixtrans-76.9-41.5168.8-65.70.2000110.7V65 D66 F69 V79 F83 F86 A116 E118 K123 F124 L131V65-W120 HydrophobicContact CG1-CH2 4.16Å; D66-W120 HydrophobicContact CB-CZ2 4.17Å; D66-W120 PolarHBondContact OD1-NE1 2.96Å; F69-W120 HydrophobicContact CB-CH2 4.37Å; F69-W120 HydrophobicContact CB-CZ2 3.99Å; F69-W120 HydrophobicContact CD1-CB 4.38Å; F69-W120 AromaticContact CD1-CD1 3.78Å; F69-W120 AromaticContact CD1-CD2 3.39Å; F69-W120 HydrophobicContact CD1-CD2 3.39Å; F69-W120 AromaticContact CD1-CE2 3.56Å; F69-W120 AromaticContact CD1-CE3 3.88Å; F69-W120 HydrophobicContact CD1-CE3 3.88Å; F69-W120 AromaticContact CD1-CG 3.6Å; F69-W120 HydrophobicContact CD1-CG 3.6Å; F69-W120 HydrophobicContact CD1-CZ2 4.2Å; F69-W120 HydrophobicContact CD1-CZ3 4.43Å; F69-W120 AromaticContact CD1-NE1 3.74Å; F69-W120 HydrophobicContact CD2-CD2 4.29Å; F69-W120 AromaticContact CD2-CE3 3.98Å; F69-W120 HydrophobicContact CD2-CE3 3.98Å; F69-W120 HydrophobicContact CD2-CH2 4.08Å; F69-W120 HydrophobicContact CD2-CZ2 4.4Å; F69-W120 AromaticContact CD2-CZ3 3.85Å; F69-W120 HydrophobicContact CD2-CZ3 3.85Å; F69-W120 HydrophobicContact CE1-CB 3.72Å; F69-W120 AromaticContact CE1-CD2 3.4Å; F69-W120 HydrophobicContact CE1-CD2 3.4Å; F69-W120 AromaticContact CE1-CE3 3.65Å; F69-W120 HydrophobicContact CE1-CE3 3.65Å; F69-W120 AromaticContact CE1-CG 3.41Å; F69-W120 HydrophobicContact CE1-CG 3.41Å; F69-W120 VanDerWaalsContact CE1-CG 3.41Å; F69-W120 HydrophobicContact CE1-CZ3 4.48Å; F69-W120 HydrophobicContact CE2-CD2 4.28Å; F69-W120 AromaticContact CE2-CE3 3.74Å; F69-W120 HydrophobicContact CE2-CE3 3.74Å; F69-W120 AromaticContact CE2-CZ3 3.89Å; F69-W120 HydrophobicContact CE2-CZ3 3.89Å; F69-W120 AromaticContact CG-CD2 3.89Å; F69-W120 HydrophobicContact CG-CD2 3.89Å; F69-W120 AromaticContact CG-CE2 3.79Å; F69-W120 HydrophobicContact CG-CE3 4.05Å; F69-W120 HydrophobicContact CG-CH2 4.1Å; F69-W120 AromaticContact CG-CZ2 3.95Å; F69-W120 HydrophobicContact CG-CZ2 3.95Å; F69-W120 HydrophobicContact CG-CZ3 4.14Å; F69-W120 HydrophobicContact CZ-CB 4.35Å; F69-W120 AromaticContact CZ-CD2 3.87Å; F69-W120 HydrophobicContact CZ-CD2 3.87Å; F69-W120 AromaticContact CZ-CE3 3.58Å; F69-W120 HydrophobicContact CZ-CE3 3.58Å; F69-W120 HydrophobicContact CZ-CG 4.2Å; F69-W120 HydrophobicContact CZ-CZ3 4.22Å; V79-W120 HydrophobicContact CG1-CZ3 4.11Å; F83-W120 HydrophobicContact CE2-CE3 4.44Å; F83-W120 HydrophobicContact CE2-CZ3 4.22Å; F86-W120 AromaticContact CE1-CH2 3.74Å; F86-W120 HydrophobicContact CE1-CH2 3.74Å; F86-W120 AromaticContact CE1-CZ3 3.69Å; F86-W120 HydrophobicContact CE1-CZ3 3.69Å; F86-W120 AromaticContact CZ-CH2 3.66Å; F86-W120 HydrophobicContact CZ-CH2 3.66Å; F86-W120 HydrophobicContact CZ-CZ3 4.1Å; A116-W120 HydrophobicContact CB-CZ2 4.06Å; A116-W120 VanDerWaalsContact O-CB 3.28Å; A116-W120 WeakPolarHBondContact O-CB 3.31Å; A116-W120 PolarHBondContact O-N 3.24Å; E118-W120 PolarHBondContact O-N 3.29Å; W120-K123 PolarHBondContact O-N 3.39Å; W120-F124 WeakPolarHBondContact O-CA 3.36Å; W120-F124 WeakPolarHBondContact O-CB 3.3Å; W120-F124 WeakPolarHBondContact O-CD2 3.43Å; W120-F124 PolarHBondContact O-N 3.34Å; W120-L131 HydrophobicContact CB-CD1 4.27Å; W120-L131 HydrophobicContact CB-CD2 4.06Å; W120-L131 HydrophobicContact CE3-CD1 4.35Å
121N91.8Very high90.9Very high35 Ų3559.1 Ų59.119%0.18729%0.289CS..Hα-helixtrans-65.3-42.5177-179.663.5000111.6V117 E118 K123 G125 A132 Y135V117-N121 VanDerWaalsContact O-CB 3.31Å; V117-N121 WeakPolarHBondContact O-CB 3.48Å; V117-N121 PolarHBondContact O-N 3.45Å; E118-N121 WeakPolarHBondContact O-CA 3.48Å; E118-N121 WeakPolarHBondContact O-CB 3.31Å; E118-N121 PolarHBondContact O-N 3.43Å; N121-K123 VanDerWaalsContact C-N 3.29Å; N121-K123 PolarHBondContact O-N 3.39Å; N121-G125 VanDerWaalsContact O-CA 3.25Å; N121-G125 WeakPolarHBondContact O-CA 3.38Å; N121-G125 PolarHBondContact O-N 3.49Å; N121-A132 VanDerWaalsContact OD1-CA 3.26Å; N121-A132 WeakPolarHBondContact OD1-CA 3.45Å; N121-Y135 HydrophobicContact CB-CD2 4.26Å; N121-Y135 HydrophobicContact CB-CG 4.01Å; N121-Y135 VanDerWaalsContact ND2-CD1 3.32Å; N121-Y135 WeakPolarHBondContact ND2-CD1 3.38Å
122E92.7Very high90.9Very high145 Ų14558.7 Ų58.768%0.67829%0.293SS*.Hα-helixtrans-56.6-40.4173.6-70.1177.9157.300113E118E118-E122 WeakPolarHBondContact O-CG 3.3Å; E118-E122 PolarHBondContact O-N 2.85Å
123K93.1Very high90.7Very high154 Ų15460.4 Ų60.467%0.6730%0.297SS*.Hα-helixtrans-92.1-23.7-172.7-67.6170.1-167.4159.90114.1G119 W120 N121G119-K123 VanDerWaalsContact O-CD 3.27Å; G119-K123 WeakPolarHBondContact O-CD 3.34Å; G119-K123 VanDerWaalsContact O-CG 3.31Å; G119-K123 WeakPolarHBondContact O-CG 3.43Å; W120-K123 PolarHBondContact O-N 3.39Å; N121-K123 VanDerWaalsContact C-N 3.29Å; N121-K123 PolarHBondContact O-N 3.39Å
124F93.3Very high90.4Very high45 Ų4560.4 Ų60.420%0.19730%0.297CS..Hα-helixtrans-142.80.9-169.6-45.7-69.9000114.8F69 W120 E126 A127 Y128 L131F69-F124 HydrophobicContact CD1-CE2 4.41Å; F69-F124 AromaticContact CE1-CD2 3.88Å; F69-F124 HydrophobicContact CE1-CD2 3.88Å; F69-F124 HydrophobicContact CE1-CE2 4.19Å; W120-F124 WeakPolarHBondContact O-CA 3.36Å; W120-F124 WeakPolarHBondContact O-CB 3.3Å; W120-F124 WeakPolarHBondContact O-CD2 3.43Å; W120-F124 PolarHBondContact O-N 3.34Å; F124-E126 VanDerWaalsContact C-N 3.33Å; F124-E126 PolarHBondContact O-N 3.02Å; F124-A127 PolarHBondContact O-N 3.47Å; F124-A127 VanDerWaalsContact O-N 3.14Å; F124-Y128 HydrophobicContact CB-CD2 3.59Å; F124-Y128 HydrophobicContact CB-CE2 3.77Å; F124-Y128 HydrophobicContact CG-CE2 4.31Å; F124-Y128 WeakPolarHBondContact O-CD2 3.45Å; F124-Y128 PolarHBondContact O-N 2.88Å; F124-L131 HydrophobicContact CB-CD2 4.27Å
125G88.6Confident90.3Very high6 Ų661.3 Ų61.36%0.06230%0.3CS..THydrogen-bonded Turntrans-60.2-38.2-176.100000113.7N121 A127 Y128N121-G125 VanDerWaalsContact O-CA 3.25Å; N121-G125 WeakPolarHBondContact O-CA 3.38Å; N121-G125 PolarHBondContact O-N 3.49Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 3.23Å; G125-Y128 CarbonylContact O-C 3.4Å; G125-Y128 PolarHBondContact O-N 3.1Å
126E89.6Confident90.1Very high198 Ų19857.6 Ų57.693%0.92529%0.289SS*.THydrogen-bonded Turntrans-60.6-41.1175-60.6-173161.700112.5F124F124-E126 VanDerWaalsContact C-N 3.33Å; F124-E126 PolarHBondContact O-N 3.02Å
127A90.1Very high89.6Confident78 Ų7857.3 Ų57.365%0.64529%0.286SS*.THydrogen-bonded Turntrans-75.8-30.3-179.900000112.8F124 G125F124-A127 PolarHBondContact O-N 3.47Å; F124-A127 VanDerWaalsContact O-N 3.14Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 3.23Å
128Y91.1Very high89.2Confident16 Ų1657.3 Ų57.36%0.06329%0.286CS..  trans-121.381.6-174.4-59.4-64000111.5H73 R76 M77 V80 F124 G125 K130 L131 A132H73-Y128 PolarHBondContact CE1-OH 2.77Å; H73-Y128 PolarHBondContact ND1-OH 3.04Å; R76-Y128 HydrophobicContact CB-CE1 4.45Å; R76-Y128 HydrophobicContact CB-CE2 3.96Å; R76-Y128 WeakPolarHBondContact CB-OH 3.38Å; R76-Y128 HydrophobicContact CG-CE2 4.43Å; R76-Y128 PolarHBondContact NE-OH 3.33Å; M77-Y128 HydrophobicContact CG-CE1 4.24Å; M77-Y128 HydrophobicContact SD-CD1 4.17Å; M77-Y128 HydrophobicContact SD-CE1 3.69Å; V80-Y128 HydrophobicContact CG1-CD1 4.44Å; V80-Y128 HydrophobicContact CG2-CD1 4.41Å; V80-Y128 HydrophobicContact CG2-CG 4.14Å; F124-Y128 HydrophobicContact CB-CD2 3.59Å; F124-Y128 HydrophobicContact CB-CE2 3.77Å; F124-Y128 HydrophobicContact CG-CE2 4.31Å; F124-Y128 WeakPolarHBondContact O-CD2 3.45Å; F124-Y128 PolarHBondContact O-N 2.88Å; G125-Y128 CarbonylContact O-C 3.4Å; G125-Y128 PolarHBondContact O-N 3.1Å; Y128-K130 PolarHBondContact O-N 2.85Å; Y128-L131 HydrophobicContact CD2-CD2 4.49Å; Y128-L131 WeakPolarHBondContact O-CA 3.49Å; Y128-L131 VanDerWaalsContact O-CB 3.24Å; Y128-L131 WeakPolarHBondContact O-CB 3.48Å; Y128-L131 PolarHBondContact O-N 2.73Å; Y128-A132 PolarHBondContact O-N 2.69Å
129K88.3Confident88.7Confident169 Ų16961.1 Ų61.174%0.73530%0.298SS*.Hα-helixtrans-45.7-42.9-178.6-62.7-173.4179.6-175.40114.2L131 A132 L133K129-L131 VanDerWaalsContact C-N 3.29Å; K129-L131 PolarHBondContact O-N 2.9Å; K129-A132 PolarHBondContact O-N 2.84Å; K129-L133 VanDerWaalsContact O-CG 3.23Å; K129-L133 WeakPolarHBondContact O-CG 3.4Å; K129-L133 PolarHBondContact O-N 2.97Å
130K87.8Confident87.8Confident87 Ų8765.2 Ų65.238%0.37831%0.313SS..Hα-helixtrans-56.9-36176.1-87.7-171.8169.6-174.20114.1V80 S81 Y128 G134 F704V80-K130 HydrophobicContact CG1-CB 3.69Å; V80-K130 HydrophobicContact CG1-CD 4.47Å; V80-K130 VanDerWaalsContact O-CD 3.32Å; V80-K130 WeakPolarHBondContact O-CD 3.29Å; S81-K130 PolarHBondContact O-NZ 3.26Å; Y128-K130 PolarHBondContact O-N 2.85Å; K130-G134 PolarHBondContact O-N 2.86Å; K130-F704 WeakPolarHBondContact O-CE2 3.4Å
131L90.3Very high86.5Confident0 Ų068.9 Ų68.90%033%0.334CS..Hα-helixtrans-66.9-47176.7177.161.5000110.7F69 V80 F83 W120 F124 Y128 K129 G134 Y135F69-L131 HydrophobicContact CZ-CD2 4.26Å; V80-L131 HydrophobicContact CG2-CB 4.41Å; F83-L131 HydrophobicContact CE1-CD1 3.85Å; F83-L131 HydrophobicContact CE2-CD1 3.94Å; F83-L131 HydrophobicContact CZ-CD1 3.43Å; F83-L131 VanDerWaalsContact CZ-CD1 3.43Å; W120-L131 HydrophobicContact CB-CD1 4.27Å; W120-L131 HydrophobicContact CB-CD2 4.06Å; W120-L131 HydrophobicContact CE3-CD1 4.35Å; F124-L131 HydrophobicContact CB-CD2 4.27Å; Y128-L131 HydrophobicContact CD2-CD2 4.49Å; Y128-L131 WeakPolarHBondContact O-CA 3.49Å; Y128-L131 VanDerWaalsContact O-CB 3.24Å; Y128-L131 WeakPolarHBondContact O-CB 3.48Å; Y128-L131 PolarHBondContact O-N 2.73Å; K129-L131 VanDerWaalsContact C-N 3.29Å; K129-L131 PolarHBondContact O-N 2.9Å; L131-G134 PolarHBondContact O-N 3.48Å; L131-Y135 PolarHBondContact O-N 2.7Å
132A88.5Confident85.3Confident33 Ų3369.1 Ų69.127%0.27333%0.333SS..Hα-helixtrans-64.6-42.4177.500000112.9N121 Y128 K129 G134 Y135 H136N121-A132 VanDerWaalsContact OD1-CA 3.26Å; N121-A132 WeakPolarHBondContact OD1-CA 3.45Å; Y128-A132 PolarHBondContact O-N 2.69Å; K129-A132 PolarHBondContact O-N 2.84Å; A132-G134 VanDerWaalsContact C-N 3.32Å; A132-G134 PolarHBondContact O-N 2.82Å; A132-Y135 PolarHBondContact O-N 2.7Å; A132-H136 WeakPolarHBondContact O-CB 3.5Å; A132-H136 PolarHBondContact O-N 2.93Å
133L87.8Confident84Confident67 Ų6768 Ų6835%0.35133%0.326SS..Hα-helixtrans-60.5-41.2173.8-63.7169.2000111.3K129 F137 F704 L708K129-L133 VanDerWaalsContact O-CG 3.23Å; K129-L133 WeakPolarHBondContact O-CG 3.4Å; K129-L133 PolarHBondContact O-N 2.97Å; L133-F137 VanDerWaalsContact O-CB 3.32Å; L133-F137 WeakPolarHBondContact O-CB 3.44Å; L133-F137 PolarHBondContact O-N 2.83Å; L133-F704 HydrophobicContact CB-CD2 3.89Å; L133-F704 HydrophobicContact CB-CE2 4.22Å; L133-L708 HydrophobicContact CB-CD1 4.29Å; L133-L708 HydrophobicContact CD2-CD1 3.38Å; L133-L708 HydrophobicContact CG-CD1 4.42Å
134G85.8Confident82.8Confident0 Ų061.4 Ų61.40%030%0.299CS..Hα-helixtrans-66.8-45.7176.300000113.5K130 L131 A132 F137 L138K130-G134 PolarHBondContact O-N 2.86Å; L131-G134 PolarHBondContact O-N 3.48Å; A132-G134 VanDerWaalsContact C-N 3.32Å; A132-G134 PolarHBondContact O-N 2.82Å; G134-F137 PolarHBondContact O-N 3.11Å; G134-L138 WeakPolarHBondContact O-CG 3.22Å; G134-L138 PolarHBondContact O-N 3.41Å
135Y86.8Confident81.2Confident23 Ų2362.6 Ų62.69%0.0931%0.307CS..Hα-helixtrans-59.7-47.1174172.8-95.1000111.6V117 E118 N121 L131 A132 F137 L138 R139 F146V117-Y135 HydrophobicContact CG1-CD2 4.43Å; E118-Y135 HydrophobicContact CB-CD2 4.4Å; E118-Y135 HydrophobicContact CB-CE2 3.85Å; E118-Y135 HydrophobicContact CG-CE2 3.75Å; E118-Y135 WeakPolarHBondContact OE1-CE2 3.4Å; E118-Y135 PolarHBondContact OE1-OH 3.44Å; N121-Y135 HydrophobicContact CB-CD2 4.26Å; N121-Y135 HydrophobicContact CB-CG 4.01Å; N121-Y135 VanDerWaalsContact ND2-CD1 3.32Å; N121-Y135 WeakPolarHBondContact ND2-CD1 3.38Å; L131-Y135 PolarHBondContact O-N 2.7Å; A132-Y135 PolarHBondContact O-N 2.7Å; Y135-F137 VanDerWaalsContact C-N 3.31Å; Y135-F137 PolarHBondContact O-N 3.38Å; Y135-L138 PolarHBondContact O-N 2.87Å; Y135-R139 WeakPolarHBondContact O-CB 3.44Å; Y135-R139 PolarHBondContact O-N 2.89Å; Y135-R139 PolarHBondContact OH-NH1 3.23Å; Y135-F146 AromaticContact CD2-CE1 3.84Å; Y135-F146 HydrophobicContact CD2-CE1 3.84Å; Y135-F146 AromaticContact CD2-CZ 3.79Å; Y135-F146 HydrophobicContact CD2-CZ 3.79Å; Y135-F146 HydrophobicContact CE2-CD1 4.06Å; Y135-F146 AromaticContact CE2-CE1 3.53Å; Y135-F146 HydrophobicContact CE2-CE1 3.53Å; Y135-F146 HydrophobicContact CE2-CE2 4.26Å; Y135-F146 AromaticContact CE2-CZ 3.65Å; Y135-F146 HydrophobicContact CE2-CZ 3.65Å
136H85.8Confident80.1Confident72 Ų7263.9 Ų63.933%0.33331%0.311SS..Hα-helixtrans-59.3-41.4176.1-176.7-85.4000111.9A132 R139 H140A132-H136 WeakPolarHBondContact O-CB 3.5Å; A132-H136 PolarHBondContact O-N 2.93Å; H136-R139 PolarHBondContact O-N 3.31Å; H136-H140 AromaticContact CD2-CD2 3.4Å; H136-H140 PolarHBondContact CD2-CD2 3.26Å; H136-H140 AromaticContact CD2-NE2 3.84Å; H136-H140 AromaticContact CE1-CD2 3.87Å; H136-H140 AromaticContact CE1-CG 3.96Å; H136-H140 AromaticContact CG-CD2 3.84Å; H136-H140 AromaticContact NE2-CD2 3.43Å; H136-H140 PolarHBondContact NE2-CD2 2.93Å; H136-H140 AromaticContact NE2-CG 3.79Å; H136-H140 AromaticContact NE2-NE2 3.9Å; H136-H140 WeakPolarHBondContact O-CB 3.33Å; H136-H140 PolarHBondContact O-CD2 3.38Å; H136-H140 PolarHBondContact O-N 3.05Å
137F83Confident78.7Confident4 Ų463.1 Ų63.12%0.01831%0.308CS..Iπ-helixtrans-63-43.1175.2168.6-94.8000113.2L133 G134 Y135 N141 K142 S701 N702 F704 A707L133-F137 VanDerWaalsContact O-CB 3.32Å; L133-F137 WeakPolarHBondContact O-CB 3.44Å; L133-F137 PolarHBondContact O-N 2.83Å; G134-F137 PolarHBondContact O-N 3.11Å; Y135-F137 VanDerWaalsContact C-N 3.31Å; Y135-F137 PolarHBondContact O-N 3.38Å; F137-N141 HydrophobicContact CD2-CB 3.6Å; F137-N141 HydrophobicContact CE2-CB 3.93Å; F137-N141 HydrophobicContact CG-CB 4.29Å; F137-N141 WeakPolarHBondContact O-CA 3.49Å; F137-N141 WeakPolarHBondContact O-CB 3.27Å; F137-N141 PolarHBondContact O-N 3.16Å; F137-K142 HydrophobicContact CD1-CG 4.19Å; F137-K142 HydrophobicContact CE1-CD 4.4Å; F137-K142 HydrophobicContact CE1-CG 3.57Å; F137-K142 HydrophobicContact CZ-CD 4.28Å; F137-K142 HydrophobicContact CZ-CG 3.76Å; F137-K142 PolarHBondContact O-N 2.95Å; F137-S701 WeakPolarHBondContact CE2-O 3.33Å; F137-S701 VanDerWaalsContact CZ-O 3.26Å; F137-S701 WeakPolarHBondContact CZ-O 3.18Å; F137-N702 WeakPolarHBondContact CZ-O 3.3Å; F137-F704 HydrophobicContact CB-CB 3.47Å; F137-F704 VanDerWaalsContact CB-CB 3.47Å; F137-F704 HydrophobicContact CD1-CB 3.88Å; F137-F704 HydrophobicContact CD2-CB 3.77Å; F137-F704 HydrophobicContact CE2-CB 4.44Å; F137-F704 HydrophobicContact CG-CB 3.45Å; F137-F704 VanDerWaalsContact CG-CB 3.45Å; F137-A707 HydrophobicContact CD2-CB 3.73Å; F137-A707 HydrophobicContact CE2-CB 4.08Å
138L82.6Confident77.4Confident0 Ų061.2 Ų61.20%029%0.286CS..Iπ-helixtrans-60.2-47.2175.4-68.2171.1000111.3L87 L91 T93 V117 G134 Y135 K143 V144 F146L87-L138 HydrophobicContact CD1-CD1 4.2Å; L87-L138 HydrophobicContact CD1-CG 4.42Å; L87-L138 HydrophobicContact CD2-CD1 4.03Å; L91-L138 HydrophobicContact CD1-CD1 3.79Å; L91-L138 HydrophobicContact CD1-CD2 3.68Å; L91-L138 HydrophobicContact CD1-CG 4.41Å; T93-L138 HydrophobicContact CG2-CD2 3.72Å; V117-L138 HydrophobicContact CG1-CD1 3.94Å; G134-L138 WeakPolarHBondContact O-CG 3.22Å; G134-L138 PolarHBondContact O-N 3.41Å; Y135-L138 PolarHBondContact O-N 2.87Å; L138-K143 PolarHBondContact O-N 3.12Å; L138-V144 HydrophobicContact CB-CG2 4.33Å; L138-V144 HydrophobicContact CD2-CG2 4.2Å; L138-V144 PolarHBondContact O-N 2.86Å; L138-F146 HydrophobicContact CB-CE2 4.21Å; L138-F146 HydrophobicContact CB-CZ 3.93Å; L138-F146 HydrophobicContact CD1-CZ 4.38Å
139R80.5Confident75.7Confident130 Ų13065 Ų6549%0.49131%0.312SS..Iπ-helixtrans-69.3-44.7-177.2-173.6172.5177.4162.1-4.4113.4Y135 H136 F146Y135-R139 WeakPolarHBondContact O-CB 3.44Å; Y135-R139 PolarHBondContact O-N 2.89Å; Y135-R139 PolarHBondContact OH-NH1 3.23Å; H136-R139 PolarHBondContact O-N 3.31Å; R139-F146 HydrophobicContact CB-CE2 3.97Å
140H70.9Confident74.3Confident99 Ų9958.7 Ų58.746%0.45829%0.286SS..Iπ-helixtrans-101.5-41.7-170.6-65.1-88000114.4H136 K143H136-H140 AromaticContact CD2-CD2 3.4Å; H136-H140 PolarHBondContact CD2-CD2 3.26Å; H136-H140 AromaticContact CD2-NE2 3.84Å; H136-H140 AromaticContact CE1-CD2 3.87Å; H136-H140 AromaticContact CE1-CG 3.96Å; H136-H140 AromaticContact CG-CD2 3.84Å; H136-H140 AromaticContact NE2-CD2 3.43Å; H136-H140 PolarHBondContact NE2-CD2 2.93Å; H136-H140 AromaticContact NE2-CG 3.79Å; H136-H140 AromaticContact NE2-NE2 3.9Å; H136-H140 WeakPolarHBondContact O-CB 3.33Å; H136-H140 PolarHBondContact O-CD2 3.38Å; H136-H140 PolarHBondContact O-N 3.05Å; H140-K143 WeakPolarHBondContact O-CG 3.3Å
141N67.5Low72.9Confident85 Ų8554.7 Ų54.746%0.45527%0.269SS..Iπ-helixtrans-87.3-50.7-177.3-79.9-60.6000112.1F137 A707F137-N141 HydrophobicContact CD2-CB 3.6Å; F137-N141 HydrophobicContact CE2-CB 3.93Å; F137-N141 HydrophobicContact CG-CB 4.29Å; F137-N141 WeakPolarHBondContact O-CA 3.49Å; F137-N141 WeakPolarHBondContact O-CB 3.27Å; F137-N141 PolarHBondContact O-N 3.16Å; N141-A707 PolarHBondContact ND2-O 3.02Å
142K67Low71.6Confident40 Ų4058.6 Ų58.617%0.17428%0.284CS..SBendtrans-80.2-17.6177.3-69.6-76.5174.9169.30113.3T93 F137 V144 T153 S701 N702T93-K142 PolarHBondContact O-NZ 2.91Å; F137-K142 HydrophobicContact CD1-CG 4.19Å; F137-K142 HydrophobicContact CE1-CD 4.4Å; F137-K142 HydrophobicContact CE1-CG 3.57Å; F137-K142 HydrophobicContact CZ-CD 4.28Å; F137-K142 HydrophobicContact CZ-CG 3.76Å; F137-K142 PolarHBondContact O-N 2.95Å; K142-V144 VanDerWaalsContact C-N 3.26Å; K142-V144 HydrophobicContact CB-CG2 4.1Å; K142-V144 PolarHBondContact O-N 3.41Å; K142-T153 WeakPolarHBondContact O-CG2 3.35Å; K142-S701 WeakPolarHBondContact CE-O 3.1Å; K142-N702 PolarHBondContact NZ-OD1 3.27Å
143K65.9Low70.4Confident121 Ų12158.2 Ų58.253%0.52628%0.278SS..  trans50.248.5-177.1-55.7-174.4-175.2-1770111.4L138 H140 D145 L154L138-K143 PolarHBondContact O-N 3.12Å; H140-K143 WeakPolarHBondContact O-CG 3.3Å; K143-D145 PolarHBondContact O-N 2.87Å; K143-L154 HydrophobicContact CB-CD1 4.18Å; K143-L154 HydrophobicContact CB-CG 4.44Å; K143-L154 HydrophobicContact CD-CD1 4.1Å
144V67.1Low69.3Low16 Ų1659.8 Ų59.810%0.09729%0.286CS..BIsolated β-bridgetrans-68.7122.5165.4178.50000106.8T114 L138 K142 F146 A151 T153T114-V144 HydrophobicContact CG2-CG1 4.18Å; L138-V144 HydrophobicContact CB-CG2 4.33Å; L138-V144 HydrophobicContact CD2-CG2 4.2Å; L138-V144 PolarHBondContact O-N 2.86Å; K142-V144 VanDerWaalsContact C-N 3.26Å; K142-V144 HydrophobicContact CB-CG2 4.1Å; K142-V144 PolarHBondContact O-N 3.41Å; V144-F146 HydrophobicContact CB-CE2 4.21Å; V144-F146 HydrophobicContact CG1-CD2 4.46Å; V144-F146 HydrophobicContact CG1-CE2 4.3Å; V144-F146 WeakPolarHBondContact O-CD2 3.19Å; V144-F146 PolarHBondContact O-N 3.13Å; V144-A151 HydrophobicContact CG1-CB 4.3Å; V144-T153 HydrophobicContact CG2-CG2 4.03Å
145D61.2Low68Low70 Ų7062.7 Ų62.737%0.37431%0.311SS..  trans-81.6114.2171.3-169.3-14.4000108.9K143 Q147 D148K143-D145 PolarHBondContact O-N 2.87Å; D145-Q147 PolarHBondContact O-N 3.41Å; D145-Q147 WeakPolarHBondContact OD1-CA 3.44Å; D145-Q147 WeakPolarHBondContact OD1-CB 3.48Å; D145-Q147 PolarHBondContact OD1-N 2.8Å; D145-D148 HydrophobicContact CB-CB 3.83Å; D145-D148 PolarHBondContact OD1-N 3.19Å
146F65.2Low67Low33 Ų3364 Ų6415%0.14532%0.317CS..SBendtrans-75.5-13178-72.5-104.7000112T114 E118 Y135 L138 R139 V144T114-F146 HydrophobicContact CG2-CB 4.35Å; T114-F146 HydrophobicContact CG2-CD1 3.34Å; T114-F146 HydrophobicContact CG2-CE1 3.66Å; T114-F146 HydrophobicContact CG2-CG 3.87Å; T114-F146 HydrophobicContact CG2-CZ 4.41Å; E118-F146 HydrophobicContact CB-CD1 3.91Å; E118-F146 HydrophobicContact CB-CE1 4.04Å; E118-F146 HydrophobicContact CG-CD1 4.36Å; Y135-F146 AromaticContact CD2-CE1 3.84Å; Y135-F146 HydrophobicContact CD2-CE1 3.84Å; Y135-F146 AromaticContact CD2-CZ 3.79Å; Y135-F146 HydrophobicContact CD2-CZ 3.79Å; Y135-F146 HydrophobicContact CE2-CD1 4.06Å; Y135-F146 AromaticContact CE2-CE1 3.53Å; Y135-F146 HydrophobicContact CE2-CE1 3.53Å; Y135-F146 HydrophobicContact CE2-CE2 4.26Å; Y135-F146 AromaticContact CE2-CZ 3.65Å; Y135-F146 HydrophobicContact CE2-CZ 3.65Å; L138-F146 HydrophobicContact CB-CE2 4.21Å; L138-F146 HydrophobicContact CB-CZ 3.93Å; L138-F146 HydrophobicContact CD1-CZ 4.38Å; R139-F146 HydrophobicContact CB-CE2 3.97Å; V144-F146 HydrophobicContact CB-CE2 4.21Å; V144-F146 HydrophobicContact CG1-CD2 4.46Å; V144-F146 HydrophobicContact CG1-CE2 4.3Å; V144-F146 WeakPolarHBondContact O-CD2 3.19Å; V144-F146 PolarHBondContact O-N 3.13Å
147Q59.8Low66.2Low183 Ų18367.1 Ų67.186%0.85533%0.326SS*.SBendtrans-97.2-18.3175.9-56.3-177.70.100112.9D145 T149D145-Q147 PolarHBondContact O-N 3.41Å; D145-Q147 WeakPolarHBondContact OD1-CA 3.44Å; D145-Q147 WeakPolarHBondContact OD1-CB 3.48Å; D145-Q147 PolarHBondContact OD1-N 2.8Å; Q147-T149 PolarHBondContact O-N 2.87Å
148D63.1Low65.7Low37 Ų3773 Ų7320%0.19835%0.352CS..SBendtrans-63.2131172.9175.532.3000110.5D145 N150 A151 R152D145-D148 HydrophobicContact CB-CB 3.83Å; D145-D148 PolarHBondContact OD1-N 3.19Å; D148-N150 PolarHBondContact O-N 3.17Å; D148-N150 PolarHBondContact OD1-N 3.43Å; D148-N150 PolarHBondContact OD2-N 3.45Å; D148-A151 PolarHBondContact O-N 3.29Å; D148-A151 PolarHBondContact OD2-N 3.42Å; D148-A151 VanDerWaalsContact OD2-N 3.12Å; D148-R152 IonicContact OD1-NH2 2.73Å; D148-R152 WeakPolarHBondContact OD2-CB 3.31Å; D148-R152 PolarHBondContact OD2-N 3.27Å; D148-R152 IonicContact OD2-NE 2.57Å
149T55.8Low65.1Low97 Ų9779.1 Ų79.160%0.59538%0.375SS*.THydrogen-bonded Turntrans-60.3-21.2177.855.20000112.8Q111 Q147Q111-T149 WeakPolarHBondContact CG-O 3.17Å; Q111-T149 PolarHBondContact NE2-O 2.89Å; Q147-T149 PolarHBondContact O-N 2.87Å
150N57.3Low64.7Low35 Ų3577.8 Ų77.819%0.18737%0.374CS..THydrogen-bonded Turntrans-110.23.6175.6-74.8-45.5000115Q111 D148 R152Q111-N150 PolarHBondContact NE2-OD1 3.05Å; D148-N150 PolarHBondContact O-N 3.17Å; D148-N150 PolarHBondContact OD1-N 3.43Å; D148-N150 PolarHBondContact OD2-N 3.45Å; N150-R152 HydrophobicContact CB-CG 4.13Å; N150-R152 PolarHBondContact O-N 2.78Å; N150-R152 VanDerWaalsContact O-N 3.13Å
151A58.8Low65.2Low4 Ų476.6 Ų76.63%0.03337%0.369CS..  trans44.341-176.500000114.1R110 T114 V144 D148R110-A151 HydrophobicContact CG-CB 4.24Å; T114-A151 HydrophobicContact CG2-CB 4.04Å; T114-A151 WeakPolarHBondContact OG1-CB 3.47Å; V144-A151 HydrophobicContact CG1-CB 4.3Å; D148-A151 PolarHBondContact O-N 3.29Å; D148-A151 PolarHBondContact OD2-N 3.42Å; D148-A151 VanDerWaalsContact OD2-N 3.12Å
152R62.6Low65.8Low82 Ų8277 Ų7731%0.30937%0.368SS..  trans-75.3146178.2-74.3174-72.6-166.8-7.5110.9D148 N150 E160D148-R152 IonicContact OD1-NH2 2.73Å; D148-R152 WeakPolarHBondContact OD2-CB 3.31Å; D148-R152 PolarHBondContact OD2-N 3.27Å; D148-R152 IonicContact OD2-NE 2.57Å; N150-R152 HydrophobicContact CB-CG 4.13Å; N150-R152 PolarHBondContact O-N 2.78Å; N150-R152 VanDerWaalsContact O-N 3.13Å; R152-E160 IonicContact CZ-OE2 3.13Å; R152-E160 IonicContact NH1-OE2 3.62Å; R152-E160 PolarHBondContact NH1-OE2 3.46Å
153T64.6Low66.3Low25 Ų2582 Ų8215%0.15339%0.39CS..BIsolated β-bridgetrans-74.3149.1167.562.50000110.6K142 V144 A155 E156 R157K142-T153 WeakPolarHBondContact O-CG2 3.35Å; V144-T153 HydrophobicContact CG2-CG2 4.03Å; T153-A155 PolarHBondContact O-N 3.41Å; T153-A155 VanDerWaalsContact O-N 3.09Å; T153-E156 WeakPolarHBondContact CB-OE2 3.14Å; T153-E156 PolarHBondContact N-OE2 2.71Å; T153-E156 PolarHBondContact O-N 3.05Å; T153-E156 VanDerWaalsContact OG1-CG 3.31Å; T153-E156 WeakPolarHBondContact OG1-CG 3.46Å; T153-E156 PolarHBondContact OG1-N 2.86Å; T153-E156 PolarHBondContact OG1-OE2 2.81Å; T153-R157 PolarHBondContact O-N 2.77Å
154L63.7Low67.2Low99 Ų9980.9 Ų80.952%0.51839%0.386SS..Hα-helixtrans-56.3-28.2175.2-66.7175.5000113K143 K158K143-L154 HydrophobicContact CB-CD1 4.18Å; K143-L154 HydrophobicContact CB-CG 4.44Å; K143-L154 HydrophobicContact CD-CD1 4.1Å; L154-K158 WeakPolarHBondContact O-CB 3.37Å; L154-K158 PolarHBondContact O-N 3.39Å
155A59.7Low68.1Low62 Ų6286.5 Ų86.551%0.51241%0.409SS..Hα-helixtrans-78.2-27.6176.500000113.7T153 R159T153-A155 PolarHBondContact O-N 3.41Å; T153-A155 VanDerWaalsContact O-N 3.09Å; A155-R159 VanDerWaalsContact O-CG 3.3Å; A155-R159 WeakPolarHBondContact O-CG 3.45Å; A155-R159 PolarHBondContact O-NE 2.82Å
156E65.8Low69.3Low49 Ų4988.8 Ų88.823%0.22942%0.418CS..Hα-helixtrans-69.4-50.4165-73.6160.8122.500110.1R110 T153 K158 R159 E160R110-E156 IonicContact CZ-OE1 2.66Å; R110-E156 IonicContact NH1-OE1 3.56Å; R110-E156 PolarHBondContact NH1-OE1 3Å; R110-E156 IonicContact NH1-OE2 3.68Å; R110-E156 PolarHBondContact NH1-OE2 3.47Å; R110-E156 IonicContact NH2-OE1 2.69Å; R110-E156 PolarHBondContact NH2-OE1 3.16Å; T153-E156 WeakPolarHBondContact CB-OE2 3.14Å; T153-E156 PolarHBondContact N-OE2 2.71Å; T153-E156 PolarHBondContact O-N 3.05Å; T153-E156 VanDerWaalsContact OG1-CG 3.31Å; T153-E156 WeakPolarHBondContact OG1-CG 3.46Å; T153-E156 PolarHBondContact OG1-N 2.86Å; T153-E156 PolarHBondContact OG1-OE2 2.81Å; E156-K158 PolarHBondContact O-N 2.84Å; E156-R159 PolarHBondContact O-N 3.02Å; E156-R159 VanDerWaalsContact O-N 3.12Å; E156-E160 WeakPolarHBondContact O-CB 3.46Å; E156-E160 PolarHBondContact O-N 3.06Å
157R69.1Low70.2Confident139 Ų13990.7 Ų90.753%0.52543%0.429SS..Hα-helixtrans-53.1-51.2179.9179.3176.5173.1161.23.3112.4T153 R159 E160 E161T153-R157 PolarHBondContact O-N 2.77Å; R157-R159 VanDerWaalsContact C-N 3.33Å; R157-R159 PolarHBondContact O-N 3.43Å; R157-E160 WeakPolarHBondContact O-CB 3.37Å; R157-E160 PolarHBondContact O-N 2.8Å; R157-E160 VanDerWaalsContact O-N 3.12Å; R157-E161 HydrophobicContact CG-CG 4.47Å; R157-E161 WeakPolarHBondContact CG-OE1 3.42Å; R157-E161 IonicContact CZ-OE1 2.67Å; R157-E161 IonicContact NE-OE1 3.55Å; R157-E161 PolarHBondContact NE-OE1 3.14Å; R157-E161 IonicContact NH2-OE1 3.12Å; R157-E161 PolarHBondContact NH2-OE1 3.02Å; R157-E161 WeakPolarHBondContact O-CG 3.29Å; R157-E161 PolarHBondContact O-N 3.21Å
158K70.7Confident71.6Confident127 Ų12784.8 Ų84.855%0.55240%0.403SS*.Hα-helixtrans-61.1-40.3179.4-166.6178.5-173-96.30112.5L154 E156 E160 E161 E162L154-K158 WeakPolarHBondContact O-CB 3.37Å; L154-K158 PolarHBondContact O-N 3.39Å; E156-K158 PolarHBondContact O-N 2.84Å; K158-E160 VanDerWaalsContact C-N 3.31Å; K158-E160 PolarHBondContact O-N 3.12Å; K158-E161 PolarHBondContact O-N 2.83Å; K158-E162 WeakPolarHBondContact CE-OE1 3.39Å; K158-E162 IonicContact NZ-OE1 2.81Å; K158-E162 PolarHBondContact NZ-OE1 3.24Å; K158-E162 WeakPolarHBondContact O-CB 3.41Å; K158-E162 WeakPolarHBondContact O-CG 3.45Å; K158-E162 PolarHBondContact O-N 3.48Å
159R71.6Confident72.9Confident128 Ų12888.3 Ų88.348%0.48342%0.417SS..Hα-helixtrans-69.1-28.3176.4-72.5-178.7-64.2161.72.9112.8A155 E156 R157 K163A155-R159 VanDerWaalsContact O-CG 3.3Å; A155-R159 WeakPolarHBondContact O-CG 3.45Å; A155-R159 PolarHBondContact O-NE 2.82Å; E156-R159 PolarHBondContact O-N 3.02Å; E156-R159 VanDerWaalsContact O-N 3.12Å; R157-R159 VanDerWaalsContact C-N 3.33Å; R157-R159 PolarHBondContact O-N 3.43Å; R159-K163 WeakPolarHBondContact O-CB 3.49Å; R159-K163 WeakPolarHBondContact O-CD 3.39Å; R159-K163 WeakPolarHBondContact O-CG 3.35Å; R159-K163 PolarHBondContact O-N 3.47Å; R159-K163 VanDerWaalsContact O-N 3.16Å
160E72.1Confident74.6Confident103 Ų10386 Ų8648%0.48140%0.4SS..Hα-helixtrans-74.5-46.1174.7-169.9155.2-108.700110.7R152 E156 R157 K158 E162 K163 Q164R152-E160 IonicContact CZ-OE2 3.13Å; R152-E160 IonicContact NH1-OE2 3.62Å; R152-E160 PolarHBondContact NH1-OE2 3.46Å; E156-E160 WeakPolarHBondContact O-CB 3.46Å; E156-E160 PolarHBondContact O-N 3.06Å; R157-E160 WeakPolarHBondContact O-CB 3.37Å; R157-E160 PolarHBondContact O-N 2.8Å; R157-E160 VanDerWaalsContact O-N 3.12Å; K158-E160 VanDerWaalsContact C-N 3.31Å; K158-E160 PolarHBondContact O-N 3.12Å; E160-E162 PolarHBondContact O-N 3.47Å; E160-K163 PolarHBondContact O-N 2.9Å; E160-Q164 PolarHBondContact O-N 3Å
161E80.2Confident76.1Confident74 Ų7488.3 Ų88.335%0.34641%0.407SS..Hα-helixtrans-61.3-39.5172.7-69176.1-166.900112.8R157 K158 Q164 K165R157-E161 HydrophobicContact CG-CG 4.47Å; R157-E161 WeakPolarHBondContact CG-OE1 3.42Å; R157-E161 IonicContact CZ-OE1 2.67Å; R157-E161 IonicContact NE-OE1 3.55Å; R157-E161 PolarHBondContact NE-OE1 3.14Å; R157-E161 IonicContact NH2-OE1 3.12Å; R157-E161 PolarHBondContact NH2-OE1 3.02Å; R157-E161 WeakPolarHBondContact O-CG 3.29Å; R157-E161 PolarHBondContact O-N 3.21Å; K158-E161 PolarHBondContact O-N 2.83Å; E161-Q164 PolarHBondContact O-N 3.29Å; E161-K165 WeakPolarHBondContact O-CB 3.41Å; E161-K165 WeakPolarHBondContact O-CD 3.46Å; E161-K165 VanDerWaalsContact O-CG 3.26Å; E161-K165 WeakPolarHBondContact O-CG 3.34Å; E161-K165 PolarHBondContact O-N 3.15Å
162E80.6Confident77.6Confident93 Ų9393 Ų9344%0.43543%0.429SS..Hα-helixtrans-66.8-38.4175.1-77.1168.1178.200112.4K158 E160 H166K158-E162 WeakPolarHBondContact CE-OE1 3.39Å; K158-E162 IonicContact NZ-OE1 2.81Å; K158-E162 PolarHBondContact NZ-OE1 3.24Å; K158-E162 WeakPolarHBondContact O-CB 3.41Å; K158-E162 WeakPolarHBondContact O-CG 3.45Å; K158-E162 PolarHBondContact O-N 3.48Å; E160-E162 PolarHBondContact O-N 3.47Å; E162-H166 WeakPolarHBondContact O-CB 3.26Å; E162-H166 PolarHBondContact O-N 3.01Å; E162-H166 VanDerWaalsContact O-N 3.12Å
163K78.7Confident79Confident144 Ų14493.9 Ų93.963%0.62644%0.436SS*.Hα-helixtrans-66.1-44.3172.9-77.2168.1-175.1177.30111.6R159 E160 H166 L167R159-K163 WeakPolarHBondContact O-CB 3.49Å; R159-K163 WeakPolarHBondContact O-CD 3.39Å; R159-K163 WeakPolarHBondContact O-CG 3.35Å; R159-K163 PolarHBondContact O-N 3.47Å; R159-K163 VanDerWaalsContact O-N 3.16Å; E160-K163 PolarHBondContact O-N 2.9Å; K163-H166 WeakPolarHBondContact O-CB 3.43Å; K163-H166 PolarHBondContact O-N 3.12Å; K163-L167 WeakPolarHBondContact O-CG 3.48Å; K163-L167 PolarHBondContact O-N 3.13Å
164Q83.1Confident80.3Confident98 Ų9899.5 Ų99.546%0.45845%0.454SS..Hα-helixtrans-60.7-52.4179.4-169.358.544.900110E160 E161 H166 L167 D168E160-Q164 PolarHBondContact O-N 3Å; E161-Q164 PolarHBondContact O-N 3.29Å; Q164-H166 PolarHBondContact O-N 3.38Å; Q164-H166 VanDerWaalsContact O-N 3.09Å; Q164-L167 CarbonylContact O-C 3.58Å; Q164-L167 WeakPolarHBondContact O-CA 3.35Å; Q164-L167 WeakPolarHBondContact O-CB 3.42Å; Q164-L167 PolarHBondContact O-N 3.43Å; Q164-D168 VanDerWaalsContact C-OD2 3.29Å; Q164-D168 PolarHBondContact NE2-OD1 3.43Å; Q164-D168 PolarHBondContact O-N 2.88Å; Q164-D168 VanDerWaalsContact O-OD2 3.12Å
165K87.4Confident81.6Confident134 Ų13495.1 Ų95.158%0.58343%0.433SS*.Hα-helixtrans-54.9-32.5175.1-71.5165.1-176.2166.30113.5E161 D168 K169E161-K165 WeakPolarHBondContact O-CB 3.41Å; E161-K165 WeakPolarHBondContact O-CD 3.46Å; E161-K165 VanDerWaalsContact O-CG 3.26Å; E161-K165 WeakPolarHBondContact O-CG 3.34Å; E161-K165 PolarHBondContact O-N 3.15Å; K165-D168 PolarHBondContact N-OD2 3.25Å; K165-K169 WeakPolarHBondContact O-CB 3.48Å; K165-K169 PolarHBondContact O-N 2.92Å; K165-K169 VanDerWaalsContact O-N 3.12Å
166H86Confident83.1Confident118 Ų11894.7 Ų94.755%0.54643%0.426SS..Hα-helixtrans-72.2-41.1174.3-176.234000112.8E162 K163 Q164 I170E162-H166 WeakPolarHBondContact O-CB 3.26Å; E162-H166 PolarHBondContact O-N 3.01Å; E162-H166 VanDerWaalsContact O-N 3.12Å; K163-H166 WeakPolarHBondContact O-CB 3.43Å; K163-H166 PolarHBondContact O-N 3.12Å; Q164-H166 PolarHBondContact O-N 3.38Å; Q164-H166 VanDerWaalsContact O-N 3.09Å; H166-I170 WeakPolarHBondContact O-CG1 3.19Å; H166-I170 PolarHBondContact O-N 3.29Å; H166-I170 VanDerWaalsContact O-N 3.09Å
167L84.3Confident84.4Confident73 Ų7395.9 Ų95.938%0.38243%0.431SS..Hα-helixtrans-65.6-46.7173.9-68172.1000111.2K163 Q164 K169 I170 Y171K163-L167 WeakPolarHBondContact O-CG 3.48Å; K163-L167 PolarHBondContact O-N 3.13Å; Q164-L167 CarbonylContact O-C 3.58Å; Q164-L167 WeakPolarHBondContact O-CA 3.35Å; Q164-L167 WeakPolarHBondContact O-CB 3.42Å; Q164-L167 PolarHBondContact O-N 3.43Å; L167-K169 VanDerWaalsContact C-N 3.28Å; L167-K169 PolarHBondContact O-N 2.86Å; L167-I170 WeakPolarHBondContact O-CA 3.45Å; L167-I170 WeakPolarHBondContact O-CB 3.4Å; L167-I170 PolarHBondContact O-N 2.96Å; L167-Y171 HydrophobicContact CB-CD2 4.48Å; L167-Y171 HydrophobicContact CB-CE2 4.05Å; L167-Y171 WeakPolarHBondContact O-CD2 3.29Å; L167-Y171 PolarHBondContact O-N 3.32Å
168D87.8Confident85.6Confident59 Ų5989.2 Ų89.232%0.31641%0.406SS..Hα-helixtrans-54.3-46176.1-55.2-27.7000110.5Q164 K165 I170 Y171 Q172Q164-D168 VanDerWaalsContact C-OD2 3.29Å; Q164-D168 PolarHBondContact NE2-OD1 3.43Å; Q164-D168 PolarHBondContact O-N 2.88Å; Q164-D168 VanDerWaalsContact O-OD2 3.12Å; K165-D168 PolarHBondContact N-OD2 3.25Å; D168-I170 PolarHBondContact O-N 3.07Å; D168-Y171 PolarHBondContact O-N 3.13Å; D168-Q172 VanDerWaalsContact O-CG 3.32Å; D168-Q172 WeakPolarHBondContact O-CG 3.42Å; D168-Q172 PolarHBondContact O-N 3.07Å
169K91.6Very high86.7Confident111 Ų11186.3 Ų86.348%0.48339%0.394SS..Hα-helixtrans-62.5-40175.3-171.3172.5-168.4-83.10112.8K165 L167 Y171 Q172 E173K165-K169 WeakPolarHBondContact O-CB 3.48Å; K165-K169 PolarHBondContact O-N 2.92Å; K165-K169 VanDerWaalsContact O-N 3.12Å; L167-K169 VanDerWaalsContact C-N 3.28Å; L167-K169 PolarHBondContact O-N 2.86Å; K169-Y171 VanDerWaalsContact C-N 3.33Å; K169-Q172 PolarHBondContact O-N 3.49Å; K169-E173 HydrophobicContact CG-CG 4.5Å; K169-E173 IonicContact NZ-OE1 2.62Å; K169-E173 PolarHBondContact NZ-OE1 3.25Å; K169-E173 WeakPolarHBondContact O-CB 3.47Å; K169-E173 VanDerWaalsContact O-CG 3.29Å; K169-E173 WeakPolarHBondContact O-CG 3.4Å; K169-E173 PolarHBondContact O-N 3.12Å
170I91.1Very high87.7Confident48 Ų4885.3 Ų85.325%0.24639%0.391CS..Hα-helixtrans-64.8-38.3175.6-70.4163.3000110.9H166 L167 D168 R174H166-I170 WeakPolarHBondContact O-CG1 3.19Å; H166-I170 PolarHBondContact O-N 3.29Å; H166-I170 VanDerWaalsContact O-N 3.09Å; L167-I170 WeakPolarHBondContact O-CA 3.45Å; L167-I170 WeakPolarHBondContact O-CB 3.4Å; L167-I170 PolarHBondContact O-N 2.96Å; D168-I170 PolarHBondContact O-N 3.07Å; I170-R174 WeakPolarHBondContact O-CB 3.18Å; I170-R174 VanDerWaalsContact O-CG 3.24Å; I170-R174 WeakPolarHBondContact O-CG 3.5Å; I170-R174 PolarHBondContact O-N 3.16Å; I170-R174 VanDerWaalsContact O-N 3.08Å
171Y88.7Confident88.8Confident84 Ų8482.5 Ų82.533%0.32938%0.378SS..Hα-helixtrans-70.9-39.9176.4-61-54.4000111.8L167 D168 K169 R174 A175 V354L167-Y171 HydrophobicContact CB-CD2 4.48Å; L167-Y171 HydrophobicContact CB-CE2 4.05Å; L167-Y171 WeakPolarHBondContact O-CD2 3.29Å; L167-Y171 PolarHBondContact O-N 3.32Å; D168-Y171 PolarHBondContact O-N 3.13Å; K169-Y171 VanDerWaalsContact C-N 3.33Å; Y171-R174 PolarHBondContact O-N 3.47Å; Y171-A175 PolarHBondContact O-N 2.98Å; Y171-V354 WeakPolarHBondContact O-CG2 3.47Å
172Q89.8Confident89.5Confident104 Ų10479.1 Ų79.149%0.48636%0.362SS..Hα-helixtrans-59-49171-72.7169.6-2.300111.8D168 K169 R174 A175 S176 V354D168-Q172 VanDerWaalsContact O-CG 3.32Å; D168-Q172 WeakPolarHBondContact O-CG 3.42Å; D168-Q172 PolarHBondContact O-N 3.07Å; K169-Q172 PolarHBondContact O-N 3.49Å; Q172-R174 PolarHBondContact O-N 3.21Å; Q172-A175 PolarHBondContact O-N 2.89Å; Q172-A175 VanDerWaalsContact O-N 3.12Å; Q172-S176 PolarHBondContact O-N 3.04Å; Q172-S176 PolarHBondContact O-OG 2.9Å; Q172-V354 HydrophobicContact CG-CG1 3.84Å
173E92.4Very high90.1Very high100 Ų10080 Ų8047%0.46737%0.366SS..Hα-helixtrans-57.6-36.9176-76.3171.6-177.600112.2K169 Q177K169-E173 HydrophobicContact CG-CG 4.5Å; K169-E173 IonicContact NZ-OE1 2.62Å; K169-E173 PolarHBondContact NZ-OE1 3.25Å; K169-E173 WeakPolarHBondContact O-CB 3.47Å; K169-E173 VanDerWaalsContact O-CG 3.29Å; K169-E173 WeakPolarHBondContact O-CG 3.4Å; K169-E173 PolarHBondContact O-N 3.12Å; E173-Q177 WeakPolarHBondContact O-CB 3.41Å; E173-Q177 PolarHBondContact O-N 2.91Å; E173-Q177 VanDerWaalsContact O-N 3.08Å
174R92Very high90.8Very high142 Ų14279.8 Ų79.854%0.53637%0.367SS..Hα-helixtrans-72.2-36.3175-74170.4176.3-146.2-3.4113.4I170 Y171 Q172 Q177 A178I170-R174 WeakPolarHBondContact O-CB 3.18Å; I170-R174 VanDerWaalsContact O-CG 3.24Å; I170-R174 WeakPolarHBondContact O-CG 3.5Å; I170-R174 PolarHBondContact O-N 3.16Å; I170-R174 VanDerWaalsContact O-N 3.08Å; Y171-R174 PolarHBondContact O-N 3.47Å; Q172-R174 PolarHBondContact O-N 3.21Å; R174-Q177 PolarHBondContact O-N 3.28Å; R174-A178 PolarHBondContact O-N 3.1Å
175A91.1Very high91.3Very high8 Ų877.1 Ų77.17%0.06636%0.355CS..Hα-helixtrans-69-44.2174.300000111.3Y171 Q172 Q177 A178 E179 F351 V354Y171-A175 PolarHBondContact O-N 2.98Å; Q172-A175 PolarHBondContact O-N 2.89Å; Q172-A175 VanDerWaalsContact O-N 3.12Å; A175-Q177 PolarHBondContact O-N 2.78Å; A175-A178 WeakPolarHBondContact O-CB 3.39Å; A175-A178 PolarHBondContact O-N 3.47Å; A175-A178 VanDerWaalsContact O-N 3.12Å; A175-E179 PolarHBondContact O-N 3.44Å; A175-F351 HydrophobicContact CB-CD1 4.12Å; A175-F351 WeakPolarHBondContact O-CE1 3.35Å; A175-V354 HydrophobicContact CB-CG2 3.8Å
176S91.6Very high91.5Very high53 Ų5372.3 Ų72.337%0.37134%0.339SS..Hα-helixtrans-63.7-25.9173.1-56.60000113Q172 R180Q172-S176 PolarHBondContact O-N 3.04Å; Q172-S176 PolarHBondContact O-OG 2.9Å; S176-R180 VanDerWaalsContact O-CZ 3.24Å; S176-R180 PolarHBondContact O-N 3.37Å; S176-R180 PolarHBondContact O-NH1 3.45Å
177Q93.4Very high91.8Very high73 Ų7368.4 Ų68.434%0.34133%0.33SS..Hα-helixtrans-75.3-41.5171176.457.130.700111.9E173 R174 A175 E179 R180 E181E173-Q177 WeakPolarHBondContact O-CB 3.41Å; E173-Q177 PolarHBondContact O-N 2.91Å; E173-Q177 VanDerWaalsContact O-N 3.08Å; R174-Q177 PolarHBondContact O-N 3.28Å; A175-Q177 PolarHBondContact O-N 2.78Å; Q177-E179 VanDerWaalsContact C-N 3.29Å; Q177-E179 PolarHBondContact O-N 3.25Å; Q177-R180 PolarHBondContact O-N 3.1Å; Q177-E181 VanDerWaalsContact CG-OE1 3.3Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.39Å; Q177-E181 PolarHBondContact NE2-OE1 2.87Å; Q177-E181 WeakPolarHBondContact O-CG 3.42Å; Q177-E181 PolarHBondContact O-N 2.92Å
178A93.8Very high92.3Very high0 Ų069.1 Ų69.10%033%0.331CS..Hα-helixtrans-59.5-39.1172.500000112.5R174 A175 E181 M182 W347 R350 F351R174-A178 PolarHBondContact O-N 3.1Å; A175-A178 WeakPolarHBondContact O-CB 3.39Å; A175-A178 PolarHBondContact O-N 3.47Å; A175-A178 VanDerWaalsContact O-N 3.12Å; A178-E181 PolarHBondContact O-N 2.92Å; A178-M182 VanDerWaalsContact O-CB 3.27Å; A178-M182 WeakPolarHBondContact O-CB 3.41Å; A178-M182 PolarHBondContact O-N 2.97Å; A178-W347 HydrophobicContact CB-CB 4.35Å; A178-W347 HydrophobicContact CB-CG 4.29Å; A178-R350 HydrophobicContact CB-CB 4.05Å; A178-R350 HydrophobicContact CB-CG 4.47Å; A178-F351 HydrophobicContact CB-CE1 3.93Å; A178-F351 HydrophobicContact CB-CZ 3.94Å
179E93.1Very high92.6Very high65 Ų6566.3 Ų66.330%0.30432%0.317SS..Hα-helixtrans-63.3-39.9176.9179.9169.4-149.800112.7A175 Q177 Q183 F351 C360A175-E179 PolarHBondContact O-N 3.44Å; Q177-E179 VanDerWaalsContact C-N 3.29Å; Q177-E179 PolarHBondContact O-N 3.25Å; E179-Q183 VanDerWaalsContact O-CG 3.28Å; E179-Q183 WeakPolarHBondContact O-CG 3.48Å; E179-Q183 PolarHBondContact O-N 3.47Å; E179-F351 HydrophobicContact CB-CE1 4.23Å; E179-F351 HydrophobicContact CB-CZ 4.32Å; E179-C360 PolarHBondContact OE1-SG 3.12Å
180R93.6Very high92.8Very high108 Ų10865.8 Ų65.841%0.40832%0.316SS..Hα-helixtrans-68.2-48173.4-73.5-174.5-64.5-83.70.7112.1S176 Q177 M182 Q183 E184S176-R180 VanDerWaalsContact O-CZ 3.24Å; S176-R180 PolarHBondContact O-N 3.37Å; S176-R180 PolarHBondContact O-NH1 3.45Å; Q177-R180 PolarHBondContact O-N 3.1Å; R180-M182 PolarHBondContact O-N 2.96Å; R180-Q183 PolarHBondContact O-N 3.06Å; R180-E184 WeakPolarHBondContact O-CB 3.24Å; R180-E184 VanDerWaalsContact O-CG 3.31Å; R180-E184 WeakPolarHBondContact O-CG 3.42Å; R180-E184 PolarHBondContact O-N 3.23Å
181E94.9Very high92.9Very high43 Ų4366.9 Ų66.920%0.20133%0.328CS..Hα-helixtrans-55.9-37.9176-71.5165.4-163.500111.9Q177 A178 M185 W347 R350Q177-E181 VanDerWaalsContact CG-OE1 3.3Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.39Å; Q177-E181 PolarHBondContact NE2-OE1 2.87Å; Q177-E181 WeakPolarHBondContact O-CG 3.42Å; Q177-E181 PolarHBondContact O-N 2.92Å; A178-E181 PolarHBondContact O-N 2.92Å; E181-M185 WeakPolarHBondContact O-CB 3.24Å; E181-M185 PolarHBondContact O-N 3.35Å; E181-W347 VanDerWaalsContact C-CZ2 3.48Å; E181-W347 HydrophobicContact CB-CZ2 3.96Å; E181-W347 WeakPolarHBondContact O-CZ2 3.48Å; E181-W347 PolarHBondContact OE2-NE1 2.81Å; E181-W347 VanDerWaalsContact OE2-NE1 3.1Å; E181-R350 VanDerWaalsContact CD-NH1 3.25Å; E181-R350 IonicContact OE1-NH1 2.97Å; E181-R350 PolarHBondContact OE1-NH1 2.84Å; E181-R350 VanDerWaalsContact OE1-NH1 3.12Å; E181-R350 IonicContact OE2-CZ 2.72Å; E181-R350 VanDerWaalsContact OE2-CZ 3.27Å; E181-R350 IonicContact OE2-NH1 2.75Å; E181-R350 PolarHBondContact OE2-NH1 3.1Å; E181-R350 IonicContact OE2-NH2 3.46Å; E181-R350 PolarHBondContact OE2-NH2 3.02Å
182M94.4Very high93.2Very high4 Ų463.6 Ų63.62%0.0232%0.317CS..Hα-helixtrans-69.9-39.4175.7-174.8179.665.600112.6A178 R180 S186 W347 F351 C360 R363 A364 L367A178-M182 VanDerWaalsContact O-CB 3.27Å; A178-M182 WeakPolarHBondContact O-CB 3.41Å; A178-M182 PolarHBondContact O-N 2.97Å; R180-M182 PolarHBondContact O-N 2.96Å; M182-S186 VanDerWaalsContact O-CB 3.28Å; M182-S186 WeakPolarHBondContact O-CB 3.46Å; M182-S186 PolarHBondContact O-N 2.98Å; M182-W347 HydrophobicContact CB-CD2 3.9Å; M182-W347 HydrophobicContact CB-CE3 3.71Å; M182-W347 HydrophobicContact CB-CH2 4.09Å; M182-W347 HydrophobicContact CB-CZ2 4.2Å; M182-W347 HydrophobicContact CB-CZ3 3.83Å; M182-W347 HydrophobicContact CG-CD2 4.36Å; M182-W347 HydrophobicContact CG-CE3 3.68Å; M182-W347 HydrophobicContact CG-CH2 4.33Å; M182-W347 HydrophobicContact CG-CZ3 3.68Å; M182-W347 HydrophobicContact SD-CE3 4.24Å; M182-F351 HydrophobicContact CE-CE2 4.38Å; M182-F351 HydrophobicContact CE-CZ 4.24Å; M182-F351 HydrophobicContact SD-CE2 4.26Å; M182-C360 HydrophobicContact CE-CB 3.96Å; M182-R363 HydrophobicContact SD-CB 4.44Å; M182-A364 HydrophobicContact SD-CB 3.92Å; M182-L367 HydrophobicContact CG-CD1 4.35Å
183Q92.7Very high93.3Very high112 Ų11259.9 Ų59.952%0.52330%0.3SS..Hα-helixtrans-69.1-34.4174-72.8167.20.600112.5E179 R180E179-Q183 VanDerWaalsContact O-CG 3.28Å; E179-Q183 WeakPolarHBondContact O-CG 3.48Å; E179-Q183 PolarHBondContact O-N 3.47Å; R180-Q183 PolarHBondContact O-N 3.06Å
184E94.2Very high93.4Very high139 Ų13959.4 Ų59.465%0.6530%0.304SS*.Hα-helixtrans-73.2-38.8179.2-73165.9-162.300111.6R180R180-E184 WeakPolarHBondContact O-CB 3.24Å; R180-E184 VanDerWaalsContact O-CG 3.31Å; R180-E184 WeakPolarHBondContact O-CG 3.42Å; R180-E184 PolarHBondContact O-N 3.23Å
185M93.8Very high93.5Very high42 Ų4257.1 Ų57.121%0.20730%0.3CS..Hα-helixtrans-96.1-6.9180-68.5-158.3-64.800115.4E181 G187 E188 I189 A343 W347E181-M185 WeakPolarHBondContact O-CB 3.24Å; E181-M185 PolarHBondContact O-N 3.35Å; M185-G187 PolarHBondContact O-N 3.09Å; M185-E188 PolarHBondContact O-N 2.96Å; M185-E188 VanDerWaalsContact O-N 3.16Å; M185-I189 HydrophobicContact CB-CD1 4.42Å; M185-I189 WeakPolarHBondContact O-CG1 3.4Å; M185-I189 PolarHBondContact O-N 3.27Å; M185-A343 HydrophobicContact CE-CB 3.76Å; M185-W347 HydrophobicContact CB-CH2 4.09Å; M185-W347 HydrophobicContact CB-CZ2 4.47Å; M185-W347 HydrophobicContact CE-CH2 3.84Å; M185-W347 HydrophobicContact CE-CZ2 3.44Å; M185-W347 VanDerWaalsContact CE-CZ2 3.44Å
186S91.4Very high93.6Very high33 Ų3356.8 Ų56.823%0.23130%0.297CS..Hα-helixtrans-60.9-44.2-178.675.80000112.1M182 E188 I189 E190M182-S186 VanDerWaalsContact O-CB 3.28Å; M182-S186 WeakPolarHBondContact O-CB 3.46Å; M182-S186 PolarHBondContact O-N 2.98Å; S186-E188 VanDerWaalsContact C-N 3.28Å; S186-E188 PolarHBondContact O-N 3.41Å; S186-I189 WeakPolarHBondContact O-CB 3.46Å; S186-I189 PolarHBondContact O-N 2.89Å; S186-E190 WeakPolarHBondContact CB-OE1 3.33Å; S186-E190 WeakPolarHBondContact O-CB 3.41Å; S186-E190 VanDerWaalsContact O-CG 3.26Å; S186-E190 WeakPolarHBondContact O-CG 3.33Å; S186-E190 PolarHBondContact O-N 3.21Å; S186-E190 PolarHBondContact OG-OE1 3.21Å
187G92.8Very high93.6Very high36 Ų3656.9 Ų56.937%0.37129%0.291SS..Hα-helixtrans-63.5-29.5176.900000114M185 S191M185-G187 PolarHBondContact O-N 3.09Å; G187-S191 VanDerWaalsContact O-CB 3.29Å; G187-S191 WeakPolarHBondContact O-CB 3.49Å; G187-S191 PolarHBondContact O-N 2.83Å; G187-S191 VanDerWaalsContact O-N 3.09Å; G187-S191 PolarHBondContact O-OG 3.31Å
188E94.7Very high93.5Very high87 Ų8756.5 Ų56.541%0.40730%0.297SS..Hα-helixtrans-71.2-41.6171.4-61.6-173.5167.700111.3M185 S186 S191 C192 K339 F340M185-E188 PolarHBondContact O-N 2.96Å; M185-E188 VanDerWaalsContact O-N 3.16Å; S186-E188 VanDerWaalsContact C-N 3.28Å; S186-E188 PolarHBondContact O-N 3.41Å; E188-S191 PolarHBondContact O-N 3.21Å; E188-C192 PolarHBondContact O-N 3.13Å; E188-C192 PolarHBondContact O-SG 2.9Å; E188-K339 IonicContact OE2-NZ 3.41Å; E188-K339 PolarHBondContact OE2-NZ 3.39Å; E188-F340 HydrophobicContact CB-CE1 4.01Å; E188-F340 HydrophobicContact CB-CZ 3.89Å
189I94.5Very high93.3Very high1 Ų157.1 Ų57.11%0.00530%0.301CS..Hα-helixtrans-64.4-50.2178.5-69.5164.9000110.5M185 S186 S191 C192 L193 F340 V344 W347 L367 L371M185-I189 HydrophobicContact CB-CD1 4.42Å; M185-I189 WeakPolarHBondContact O-CG1 3.4Å; M185-I189 PolarHBondContact O-N 3.27Å; S186-I189 WeakPolarHBondContact O-CB 3.46Å; S186-I189 PolarHBondContact O-N 2.89Å; I189-S191 VanDerWaalsContact C-N 3.33Å; I189-S191 PolarHBondContact O-N 2.65Å; I189-C192 PolarHBondContact O-N 2.99Å; I189-L193 HydrophobicContact CG2-CD1 3.82Å; I189-L193 HydrophobicContact CG2-CG 4.44Å; I189-L193 WeakPolarHBondContact O-CB 3.19Å; I189-L193 WeakPolarHBondContact O-CG 3.4Å; I189-L193 PolarHBondContact O-N 3.45Å; I189-F340 HydrophobicContact CD1-CB 4.43Å; I189-F340 HydrophobicContact CD1-CD1 4.04Å; I189-F340 HydrophobicContact CD1-CG 4.44Å; I189-F340 HydrophobicContact CG1-CB 4.02Å; I189-F340 HydrophobicContact CG1-CD1 3.38Å; I189-F340 HydrophobicContact CG1-CD2 4.27Å; I189-F340 HydrophobicContact CG1-CE1 3.78Å; I189-F340 HydrophobicContact CG1-CG 3.66Å; I189-F340 HydrophobicContact CG1-CZ 4.37Å; I189-V344 HydrophobicContact CD1-CG2 4.25Å; I189-W347 HydrophobicContact CD1-CH2 4.07Å; I189-W347 HydrophobicContact CD1-CZ3 4.11Å; I189-L367 HydrophobicContact CG2-CD2 3.95Å; I189-L371 HydrophobicContact CG2-CD1 4.26Å; I189-L371 HydrophobicContact CG2-CD2 4.12Å; I189-L371 HydrophobicContact CG2-CG 4.34Å
190E94.3Very high93.1Very high100 Ų10054.6 Ų54.647%0.46729%0.289SS..Hα-helixtrans-56.4-46.3175.4-70160.3-140.700110.7S186 L193 T194S186-E190 WeakPolarHBondContact CB-OE1 3.33Å; S186-E190 WeakPolarHBondContact O-CB 3.41Å; S186-E190 VanDerWaalsContact O-CG 3.26Å; S186-E190 WeakPolarHBondContact O-CG 3.33Å; S186-E190 PolarHBondContact O-N 3.21Å; S186-E190 PolarHBondContact OG-OE1 3.21Å; E190-L193 PolarHBondContact O-N 3.36Å; E190-T194 WeakPolarHBondContact O-CG2 3.38Å; E190-T194 PolarHBondContact O-N 3Å; E190-T194 PolarHBondContact O-OG1 3.16Å
191S94.4Very high92.8Very high70 Ų7056 Ų5649%0.4929%0.294SS..Hα-helixtrans-58.8-52.5176.7-61.40000111.8G187 E188 I189 L193 T194 E195G187-S191 VanDerWaalsContact O-CB 3.29Å; G187-S191 WeakPolarHBondContact O-CB 3.49Å; G187-S191 PolarHBondContact O-N 2.83Å; G187-S191 VanDerWaalsContact O-N 3.09Å; G187-S191 PolarHBondContact O-OG 3.31Å; E188-S191 PolarHBondContact O-N 3.21Å; I189-S191 VanDerWaalsContact C-N 3.33Å; I189-S191 PolarHBondContact O-N 2.65Å; S191-L193 VanDerWaalsContact C-N 3.32Å; S191-L193 PolarHBondContact O-N 3.17Å; S191-T194 PolarHBondContact O-N 2.8Å; S191-T194 VanDerWaalsContact O-N 3.15Å; S191-T194 PolarHBondContact O-OG1 3.33Å; S191-E195 PolarHBondContact O-N 3.36Å
192C93.6Very high92.4Very high15 Ų1559.9 Ų59.910%0.10132%0.316CS..Hα-helixtrans-66.9-30.5-179.3-69.60000113.1E188 I189 V196 F340E188-C192 PolarHBondContact O-N 3.13Å; E188-C192 PolarHBondContact O-SG 2.9Å; I189-C192 PolarHBondContact O-N 2.99Å; C192-V196 WeakPolarHBondContact O-CB 3.45Å; C192-V196 VanDerWaalsContact O-CG2 3.27Å; C192-V196 WeakPolarHBondContact O-CG2 3.43Å; C192-V196 PolarHBondContact O-N 3.1Å; C192-F340 HydrophobicContact CB-CE2 3.99Å
193L93.7Very high91.9Very high26 Ų2660.8 Ų60.814%0.13632%0.321CS..Hα-helixtrans-65.1-44.4170.6-75.4168.2000111.2I189 E190 S191 E195 V196 E197 I336 E370 L371 A374I189-L193 HydrophobicContact CG2-CD1 3.82Å; I189-L193 HydrophobicContact CG2-CG 4.44Å; I189-L193 WeakPolarHBondContact O-CB 3.19Å; I189-L193 WeakPolarHBondContact O-CG 3.4Å; I189-L193 PolarHBondContact O-N 3.45Å; E190-L193 PolarHBondContact O-N 3.36Å; S191-L193 VanDerWaalsContact C-N 3.32Å; S191-L193 PolarHBondContact O-N 3.17Å; L193-E195 VanDerWaalsContact C-N 3.34Å; L193-E195 PolarHBondContact O-N 3.08Å; L193-V196 PolarHBondContact O-N 2.96Å; L193-E197 WeakPolarHBondContact O-CB 3.27Å; L193-E197 PolarHBondContact O-N 3.08Å; L193-I336 HydrophobicContact CD2-CD1 4.22Å; L193-E370 HydrophobicContact CD1-CB 3.96Å; L193-L371 HydrophobicContact CD1-CD2 4.41Å; L193-L371 HydrophobicContact CD2-CD2 3.95Å; L193-L371 HydrophobicContact CG-CD2 4.18Å; L193-A374 HydrophobicContact CD2-CB 3.88Å
194T93.8Very high91.3Very high90 Ų9056.6 Ų56.655%0.55230%0.303SS*.Hα-helixtrans-68-31.2176.160.30000113.5E190 S191 S198E190-T194 WeakPolarHBondContact O-CG2 3.38Å; E190-T194 PolarHBondContact O-N 3Å; E190-T194 PolarHBondContact O-OG1 3.16Å; S191-T194 PolarHBondContact O-N 2.8Å; S191-T194 VanDerWaalsContact O-N 3.15Å; S191-T194 PolarHBondContact O-OG1 3.33Å; T194-S198 VanDerWaalsContact O-CB 3.28Å; T194-S198 WeakPolarHBondContact O-CB 3.31Å; T194-S198 PolarHBondContact O-N 3.49Å; T194-S198 PolarHBondContact O-OG 3.02Å
195E94Very high90Very high95 Ų9554.5 Ų54.544%0.44430%0.301SS..Hα-helixtrans-66.3-48173.8-169.5178.7-177.300110.9S191 L193 S198 C199 T332S191-E195 PolarHBondContact O-N 3.36Å; L193-E195 VanDerWaalsContact C-N 3.34Å; L193-E195 PolarHBondContact O-N 3.08Å; E195-S198 PolarHBondContact O-N 2.9Å; E195-C199 PolarHBondContact O-N 2.91Å; E195-C199 PolarHBondContact O-SG 3.41Å; E195-C199 VanDerWaalsContact O-SG 3.35Å; E195-T332 HydrophobicContact CB-CG2 4.42Å; E195-T332 HydrophobicContact CG-CG2 3.91Å; E195-T332 WeakPolarHBondContact OE2-CG2 3.31Å
196V92.6Very high88.3Confident1 Ų160 Ų601%0.00632%0.324CS..Hα-helixtrans-59.6-48.1174.4167.60000111.8C192 L193 S198 C199 F200 T332 L333 I336 A374C192-V196 WeakPolarHBondContact O-CB 3.45Å; C192-V196 VanDerWaalsContact O-CG2 3.27Å; C192-V196 WeakPolarHBondContact O-CG2 3.43Å; C192-V196 PolarHBondContact O-N 3.1Å; L193-V196 PolarHBondContact O-N 2.96Å; V196-S198 VanDerWaalsContact C-N 3.29Å; V196-S198 PolarHBondContact O-N 3.33Å; V196-C199 WeakPolarHBondContact O-CB 3.39Å; V196-C199 PolarHBondContact O-N 3.29Å; V196-C199 VanDerWaalsContact O-N 3.15Å; V196-F200 HydrophobicContact CG1-CD1 4.49Å; V196-F200 HydrophobicContact CG1-CD2 3.96Å; V196-F200 HydrophobicContact CG1-CE1 3.92Å; V196-F200 HydrophobicContact CG1-CE2 3.3Å; V196-F200 HydrophobicContact CG1-CZ 3.28Å; V196-F200 WeakPolarHBondContact O-CG 3.13Å; V196-F200 PolarHBondContact O-N 2.66Å; V196-T332 WeakPolarHBondContact CG2-OG1 3.49Å; V196-L333 HydrophobicContact CG1-CD2 4.06Å; V196-L333 HydrophobicContact CG1-CG 4.42Å; V196-L333 HydrophobicContact CG2-CD2 4.29Å; V196-L333 HydrophobicContact CG2-CG 4.2Å; V196-I336 HydrophobicContact CG2-CD1 3.94Å; V196-A374 HydrophobicContact CG1-CB 4.19Å
197E91.2Very high86.4Confident54 Ų5463.8 Ų63.825%0.25234%0.342SS..Hα-helixtrans-64.9-34179.4-167.866.8-156.200111.9L193 F200 R201 K377L193-E197 WeakPolarHBondContact O-CB 3.27Å; L193-E197 PolarHBondContact O-N 3.08Å; E197-F200 PolarHBondContact O-N 3.37Å; E197-R201 WeakPolarHBondContact O-CG 3.35Å; E197-R201 PolarHBondContact O-N 2.85Å; E197-K377 IonicContact OE1-NZ 3.28Å; E197-K377 PolarHBondContact OE1-NZ 3.45Å; E197-K377 IonicContact OE2-NZ 3.5Å; E197-K377 PolarHBondContact OE2-NZ 3.37Å
198S91.9Very high84.3Confident66 Ų6669.9 Ų69.946%0.46236%0.358SS..Hα-helixtrans-66.5-40.9172.6-60.20000111.7T194 E195 V196 R201 L202T194-S198 VanDerWaalsContact O-CB 3.28Å; T194-S198 WeakPolarHBondContact O-CB 3.31Å; T194-S198 PolarHBondContact O-N 3.49Å; T194-S198 PolarHBondContact O-OG 3.02Å; E195-S198 PolarHBondContact O-N 2.9Å; V196-S198 VanDerWaalsContact C-N 3.29Å; V196-S198 PolarHBondContact O-N 3.33Å; S198-R201 PolarHBondContact O-N 2.76Å; S198-L202 WeakPolarHBondContact O-CG 3.17Å; S198-L202 PolarHBondContact O-N 3.41Å; S198-L202 VanDerWaalsContact O-N 3.09Å
199C90.1Very high81.8Confident12 Ų1272.7 Ų72.78%0.08138%0.376CS..Hα-helixtrans-62.7-42.3172.1-67.80000111.7E195 V196 R201 L202 L203 V325 A329E195-C199 PolarHBondContact O-N 2.91Å; E195-C199 PolarHBondContact O-SG 3.41Å; E195-C199 VanDerWaalsContact O-SG 3.35Å; V196-C199 WeakPolarHBondContact O-CB 3.39Å; V196-C199 PolarHBondContact O-N 3.29Å; V196-C199 VanDerWaalsContact O-N 3.15Å; C199-R201 PolarHBondContact O-N 2.96Å; C199-L202 PolarHBondContact O-N 3.03Å; C199-L203 WeakPolarHBondContact O-CG 3.42Å; C199-L203 PolarHBondContact O-N 3.47Å; C199-V325 HydrophobicContact CB-CG1 3.8Å; C199-A329 HydrophobicContact CB-CB 3.94Å
200F88.8Confident79.3Confident13 Ų1377.4 Ų77.46%0.05741%0.407CS..Hα-helixtrans-60.7-43.8175.6-63.7-23.1000112.1V196 E197 L202 L203 V204 L333 A374 K377 Y378 L381V196-F200 HydrophobicContact CG1-CD1 4.49Å; V196-F200 HydrophobicContact CG1-CD2 3.96Å; V196-F200 HydrophobicContact CG1-CE1 3.92Å; V196-F200 HydrophobicContact CG1-CE2 3.3Å; V196-F200 HydrophobicContact CG1-CZ 3.28Å; V196-F200 WeakPolarHBondContact O-CG 3.13Å; V196-F200 PolarHBondContact O-N 2.66Å; E197-F200 PolarHBondContact O-N 3.37Å; F200-L202 VanDerWaalsContact C-N 3.29Å; F200-L202 PolarHBondContact O-N 3.42Å; F200-L203 PolarHBondContact O-N 3.49Å; F200-L203 VanDerWaalsContact O-N 3.15Å; F200-V204 PolarHBondContact O-N 3.27Å; F200-L333 HydrophobicContact CE1-CD1 4.42Å; F200-L333 HydrophobicContact CZ-CD1 4.39Å; F200-A374 WeakPolarHBondContact CZ-O 3.4Å; F200-K377 HydrophobicContact CD2-CB 3.96Å; F200-K377 HydrophobicContact CD2-CD 3.72Å; F200-K377 HydrophobicContact CE2-CB 3.42Å; F200-K377 VanDerWaalsContact CE2-CB 3.42Å; F200-K377 HydrophobicContact CE2-CD 3.8Å; F200-K377 HydrophobicContact CE2-CG 4.24Å; F200-K377 HydrophobicContact CZ-CB 3.9Å; F200-Y378 HydrophobicContact CE1-CD2 4.27Å; F200-L381 HydrophobicContact CD1-CD1 3.59Å; F200-L381 HydrophobicContact CE1-CD1 3.93Å; F200-L381 HydrophobicContact CG-CD1 4.38Å
201R87.6Confident76.4Confident138 Ų13877.4 Ų77.452%0.52141%0.41SS..Hα-helixtrans-65.1-27.4175.9-76.9176.8161.6161.6-0.9114.4E197 S198 C199 V204 P205 D207E197-R201 WeakPolarHBondContact O-CG 3.35Å; E197-R201 PolarHBondContact O-N 2.85Å; S198-R201 PolarHBondContact O-N 2.76Å; C199-R201 PolarHBondContact O-N 2.96Å; R201-V204 CarbonylContact O-C 3.54Å; R201-P205 WeakPolarHBondContact O-CA 3.24Å; R201-D207 IonicContact CZ-OD1 3.02Å; R201-D207 IonicContact NE-OD1 2.68Å; R201-D207 PolarHBondContact NE-OD1 3.06Å; R201-D207 IonicContact NH2-OD1 3.86Å; R201-D207 PolarHBondContact NH2-OD1 3.45Å
202L87.1Confident73.8Confident123 Ų12379.8 Ų79.864%0.64442%0.424SS*.Hα-helixtrans-77.5-30.4173.1-71.8170.9000112.5S198 C199 F200 V325S198-L202 WeakPolarHBondContact O-CG 3.17Å; S198-L202 PolarHBondContact O-N 3.41Å; S198-L202 VanDerWaalsContact O-N 3.09Å; C199-L202 PolarHBondContact O-N 3.03Å; F200-L202 VanDerWaalsContact C-N 3.29Å; F200-L202 PolarHBondContact O-N 3.42Å; L202-V325 HydrophobicContact CB-CG1 3.96Å; L202-V325 HydrophobicContact CD1-CG1 4.33Å; L202-V325 HydrophobicContact CD1-CG2 4.35Å
203L83.9Confident71Confident24 Ų2486.1 Ų86.113%0.12645%0.452CS..Hα-helixtrans-82.5-34.1176.2-64.9172.3000112.5C199 F200 V316 N322 V325 V326 L381 I383C199-L203 WeakPolarHBondContact O-CG 3.42Å; C199-L203 PolarHBondContact O-N 3.47Å; F200-L203 PolarHBondContact O-N 3.49Å; F200-L203 VanDerWaalsContact O-N 3.15Å; L203-V316 HydrophobicContact CD2-CG1 4.41Å; L203-N322 HydrophobicContact CD2-CB 3.89Å; L203-V325 HydrophobicContact CD1-CG1 4.35Å; L203-V325 HydrophobicContact CD2-CB 4.21Å; L203-V325 HydrophobicContact CD2-CG1 4.08Å; L203-V325 HydrophobicContact CG-CG1 3.89Å; L203-V326 HydrophobicContact CD1-CG2 4.09Å; L203-V326 HydrophobicContact CD2-CG2 3.68Å; L203-L381 HydrophobicContact CD1-CD1 4.37Å; L203-I383 HydrophobicContact CD1-CD1 4.4Å
204V78.4Confident68.2Low24 Ų2491.4 Ų91.415%0.14549%0.485CS..  trans-133.290.8178.5-172.10000109.1F200 R201 F206 F208 L314 V316 L381F200-V204 PolarHBondContact O-N 3.27Å; R201-V204 CarbonylContact O-C 3.54Å; V204-F206 PolarHBondContact O-N 2.53Å; V204-F208 HydrophobicContact CG1-CD2 4.27Å; V204-F208 HydrophobicContact CG1-CE2 4.44Å; V204-L314 HydrophobicContact CG1-CD1 4.32Å; V204-L314 HydrophobicContact CG2-CD2 3.63Å; V204-V316 HydrophobicContact CG2-CG2 4.36Å; V204-L381 HydrophobicContact CG2-CD2 3.51Å
205P67.7Low65.3Low95 Ų9596.3 Ų96.362%0.61750%0.502SS*.  trans-71.515.9-178.7-21.735.5000115.9R201R201-P205 WeakPolarHBondContact O-CA 3.24Å
206F58.8Low62.5Low158 Ų15896.7 Ų96.769%0.69352%0.515SS*.SBendtrans-123.2114.7179.9-59.3-75.3000108.3V204 F208V204-F206 PolarHBondContact O-N 2.53Å; F206-F208 PolarHBondContact O-N 3.12Å
207D51.6Low59.7Low112 Ų112105 Ų10560%0.59956%0.559SS**  trans-67.595.5179.8-62.9-78.1000110.3R201 D209R201-D207 IonicContact CZ-OD1 3.02Å; R201-D207 IonicContact NE-OD1 2.68Å; R201-D207 PolarHBondContact NE-OD1 3.06Å; R201-D207 IonicContact NH2-OD1 3.86Å; R201-D207 PolarHBondContact NH2-OD1 3.45Å; D207-D209 PolarHBondContact O-N 3.02Å
208F48.8Very low56.7Low164 Ų164106.1 Ų106.172%0.71959%0.585SS**  trans-74.775.4161.4-76.9-81.4000109.2V204 F206 P210 L314V204-F208 HydrophobicContact CG1-CD2 4.27Å; V204-F208 HydrophobicContact CG1-CE2 4.44Å; F206-F208 PolarHBondContact O-N 3.12Å; F208-P210 WeakPolarHBondContact O-CD 3.46Å; F208-L314 HydrophobicContact CE2-CD1 4.04Å
209D41.4Very low53.7Low145 Ų145109.3 Ų109.378%0.77560%0.601SS**  trans-59.7122.1167.1-102.7-27.2000109D207 N211D207-D209 PolarHBondContact O-N 3.02Å; D209-N211 PolarHBondContact O-N 3.12Å
210P41.3Very low50.6Low101 Ų101113.8 Ų113.866%0.65664%0.639SS**  trans-70.3108.617927.4-32.7000109.8F208F208-P210 WeakPolarHBondContact O-CD 3.46Å
211N34.7Very low47.8Very low99 Ų99118.1 Ų118.153%0.52967%0.671SS.*  trans-46.3122178.9179.131.6000111.8D209 E213D209-N211 PolarHBondContact O-N 3.12Å; N211-E213 PolarHBondContact ND2-OE2 2.84Å; N211-E213 PolarHBondContact O-N 3.36Å
212P38.9Very low44.9Very low121 Ų121117.4 Ų117.479%0.78669%0.687SS**THydrogen-bonded Turntrans-74.526.3-168.530.6-38.3000115.6
213E35.3Very low42.1Very low147 Ų147118.5 Ų118.569%0.68770%0.699SS**THydrogen-bonded Turntrans-90.4-10-176.9-66-172.2122.800113.9N211N211-E213 PolarHBondContact ND2-OE2 2.84Å; N211-E213 PolarHBondContact O-N 3.36Å
214T33.6Very low39.4Very low137 Ų137122.8 Ų122.884%0.8473%0.731SS**THydrogen-bonded Turntrans-85.1-0.8-177.233.80000116.2S216T214-S216 VanDerWaalsContact C-N 3.33Å
215E33Very low36.9Very low193 Ų193129.4 Ų129.490%0.90277%0.766SS**THydrogen-bonded Turntrans-83.7-4.6168.8-68.3-145.914000113.7L217E215-L217 PolarHBondContact O-N 2.7Å
216S36.7Very low34.8Very low103 Ų103129.4 Ų129.472%0.7277%0.774SS**SBendtrans-98.460.4-177.3-178.10000114.3T214T214-S216 VanDerWaalsContact C-N 3.33Å
217L32.4Very low33.3Very low177 Ų177129.8 Ų129.893%0.92778%0.782SS**SBendtrans-177.4116.4153.5-104.5163000110.4E215E215-L217 PolarHBondContact O-N 2.7Å
218G28.2Very low32Very low77 Ų77133.3 Ų133.379%0.79479%0.794SS**  trans162.5-13.2166.400000122.3
219V29.1Very low30.9Very low133 Ų133130.9 Ų130.981%0.80680%0.798SS**  trans-124.587.3177.3-1720000112S221V219-S221 PolarHBondContact O-N 3.4Å
220A26.5Very low30.2Very low105 Ų105129.1 Ų129.187%0.86880%0.797SS**  trans-76.8113.5160.800000109.2
221S28.8Very low29.4Very low105 Ų105129.7 Ų129.773%0.73480%0.802SS**  trans-134.1116.8166.8-81.50000109.6V219 T223V219-S221 PolarHBondContact O-N 3.4Å; S221-T223 PolarHBondContact O-N 2.94Å
222S27.2Very low29.1Very low122 Ų122129.7 Ų129.785%0.85382%0.815SS**  trans-82.6113.9-166.842.80000113
223T27.5Very low28.4Very low146 Ų146127.4 Ų127.490%0.89681%0.814SS**  trans-133.1145.7152.1470000108.9S221S221-T223 PolarHBondContact O-N 2.94Å
224S28.6Very low28Very low114 Ų114129.3 Ų129.380%0.79782%0.823SS**  trans-103.8139.9-168.4540000112.6
225D24.5Very low27.7Very low164 Ų164129.2 Ų129.288%0.87782%0.822SS**  trans-58.1147.5172.1-87.8-54.4000114.1
226A24.2Very low27.4Very low95 Ų95123 Ų12379%0.78581%0.81SS**  trans-143.788.916800000110.8
227L26.4Very low27.6Very low165 Ų165124 Ų12486%0.86481%0.814SS**  trans-42.1137.8179.9-65.7154.6000116.2
228H25.5Very low27.2Very low186 Ų186121 Ų12186%0.86181%0.806SS**  trans-117.9110.4143.4-87.2-128.5000106.4
229S25.7Very low27Very low114 Ų114128.8 Ų128.880%0.79781%0.812SS**  83.7137.264.4-163.60000113.2
230S25.7Very low26.7Very low108 Ų108127.6 Ų127.676%0.75581%0.81SS**  trans-90.2172.3-166.859.10000112.4
231C25.9Very low26.6Very low113 Ų113126.4 Ų126.476%0.76481%0.807SS**  cis-177.2177.842.752.10000113.8
232A26.6Very low26.6Very low98 Ų98127.7 Ų127.781%0.8181%0.811SS**  trans65.5102.8150.800000120.3
233G25.3Very low26.9Very low73 Ų73127.9 Ų127.975%0.75381%0.809SS**  trans-90.8-155.2174.700000116.1
234Q27.7Very low27Very low187 Ų187127.8 Ų127.887%0.87480%0.803SS**  trans-169.6136.6155.2-112.4-174.78000114
235V25.8Very low27.8Very low135 Ų135126.3 Ų126.382%0.81879%0.791SS**  trans60.3136.4154.3-168.40000120.3
236G26.5Very low28Very low64 Ų64129 Ų12966%0.6679%0.789SS**  trans-110.8-136172.800000112.6
237P41.4Very low28.4Very low123 Ų123131.5 Ų131.580%0.79979%0.789SS**  cis-142.1165.3-543.7-26.5000117.1
238C24.3Very low28.6Very low114 Ų114127.1 Ų127.177%0.7778%0.784SS**  trans57.5156142.1-960000125.6
239W23Very low28.9Very low240 Ų240126.5 Ų126.591%0.90978%0.781SS**  trans82.8147.6164.1-63.84.3000118.5
240S24.6Very low29.1Very low109 Ų109129.1 Ų129.176%0.76278%0.781SS**  cis174.2144.8-3848.80000109.2
241G23.1Very low29.8Very low79 Ų79129.2 Ų129.281%0.81478%0.779SS**  trans125.7120.2157.500000116.9
242T28.7Very low30.2Very low132 Ų132129.5 Ų129.581%0.8178%0.781SS**  trans-90.6170.1153.357.60000108.8
243P33.3Very low30.4Very low126 Ų126129.6 Ų129.682%0.81878%0.775SS**  -145.6169.581.336.5-17.4000116.6
244D30.2Very low30.7Very low144 Ų144131.2 Ų131.277%0.7777%0.774SS**  trans-60.3179.7165.2-72-65.2000113.7
245P45.1Very low30.9Very low84 Ų84131.7 Ų131.755%0.54577%0.768SS.*  cis-152.7-179.724.646.7-26.1000121
246W28.4Very low31.2Very low221 Ų221131 Ų13184%0.83776%0.76SS**  trans69.2150.7155.9-54.9-35.2000118.8
247D32.3Very low31.3Very low147 Ų147135.9 Ų135.979%0.78677%0.77SS**  cis-166.2171.1-17.3-99-13.7000108.1
248G30.6Very low31.3Very low73 Ų73135.7 Ų135.775%0.75377%0.769SS**  cis144.267.3-4.600000114.9
249E32Very low31.7Very low172 Ų172134.6 Ų134.680%0.80477%0.768SS**  trans-139.1114.3-175.6-145.6-168.6-102.800115.8
250Q30.5Very low32Very low170 Ų170129.2 Ų129.279%0.79477%0.767SS**  160.8153.2126.9-75.8-129.3-29.100113
251P41.3Very low32.4Very low109 Ų109129.1 Ų129.171%0.70877%0.773SS**  trans-110.2-178.7-15712.611.7000113.4
252C33.3Very low32.6Very low120 Ų120128.9 Ų128.981%0.81177%0.77SS**  cis-171.6167-21.4-990000105.2
253C30.5Very low32.9Very low100 Ų100131.7 Ų131.768%0.67677%0.773SS**  cis-147.9-176.60.3-120.80000106.1
254S31.7Very low33.1Very low106 Ų106131.8 Ų131.874%0.74177%0.774SS**  cis-124.8-176.712.9-68.30000109.2
255R32.5Very low33Very low198 Ų198136.3 Ų136.375%0.74778%0.78SS**  cis72.6114.628.4-55.4-15967.8166.3-2.3116.1
256D31.2Very low32.3Very low121 Ų121137 Ų13765%0.64779%0.793SS**  cis-142.3167.3-3.5-84.2-37.2000112
257L28.6Very low32.3Very low165 Ų165130.5 Ų130.586%0.86480%0.795SS**  trans-91.7178.1-179-75.4169.8000111.6
258P42.4Very low32.2Very low120 Ų120127.3 Ų127.378%0.77980%0.797SS**  cis-136.2171.88.642.1-25.4000117.2
259A31.6Very low32.1Very low91 Ų91135.6 Ų135.675%0.75281%0.805SS**  trans-124.1142.115000000109.5
260S30.1Very low31.9Very low127 Ų127131.6 Ų131.689%0.88880%0.802SS**  trans-163.9123.2163.6-82.40000110.9
261A32.3Very low31.9Very low107 Ų107132.4 Ų132.488%0.88481%0.806SS**  trans-87.4157.7172.800000111.3
262G27.8Very low32.4Very low73 Ų73132.2 Ų132.275%0.75381%0.805SS**  trans-175.777.717900000114.5
263H35.8Very low33.2Very low191 Ų191131 Ų13188%0.88480%0.795SS**  trans-64.6151.9169.5-65.5-73.2000112
264P36.2Very low33.5Very low128 Ų128135 Ų13583%0.83180%0.804SS**  trans-126.1167.9131.335.1-26.9000113
265R28.2Very low33.4Very low239 Ų239136.1 Ų136.190%0.90281%0.806SS**  trans-127.2130.5-166162.3-177.6159.6-175.5-4.7112.8
266A31.3Very low33.5Very low99 Ų99130.6 Ų130.682%0.81880%0.803SS**  trans64.1144.915500000120.4
267G29Very low33.7Very low84 Ų84130.4 Ų130.487%0.86681%0.806SS**  trans137.2103.5164.800000112.9
268G29.5Very low33.9Very low81 Ų81129.7 Ų129.784%0.83580%0.803SS**  trans-135.2144.3-179.700000113.9
269R28.4Very low34Very low246 Ų246130.9 Ų130.993%0.92880%0.803SS**  trans-161.8122.9159.1-162.4172-177-165.2-0.9113
270A28Very low34.6Very low88 Ų88132.1 Ų132.173%0.72780%0.804SS**  trans20.9118.115800000122.3
271Q29.4Very low35.2Very low188 Ų188130 Ų13088%0.87979%0.789SS**  39.6162.399.7-98.3-169.412.400121.2
272P53.3Low36.1Very low105 Ų105133.2 Ų133.268%0.68279%0.791SS**  cis-132.7-149.5-2.945-26.4000111.1
273P49.9Very low37.1Very low94 Ų94137.3 Ų137.361%0.6179%0.79SS**  cis-135.5160.1-14.538.4-20.3000118
274Q35.3Very low37.9Very low185 Ų185135.5 Ų135.586%0.86479%0.787SS**  trans65.8149.4148.8-68.4160.30.700118.5
275T30Very low38.7Very low129 Ų129138.3 Ų138.379%0.79179%0.789SS**  cis-133161.818.950.30000115.5
276A34.4Very low39.9Very low81 Ų81132 Ų13267%0.66977%0.774SS**  trans-8.6153.6144.300000120.1
277T36.1Very low41.2Very low117 Ų117131.1 Ų131.172%0.71876%0.762SS**  cis-160.4175.5-0.621.60000111.2
278D33.8Very low42.9Very low150 Ų150133.2 Ų133.280%0.80275%0.753SS**  trans86.1132.1156.7-53.3-52.4000118.2
279D43.3Very low44.4Very low146 Ų146131.9 Ų131.978%0.78173%0.726SS**  trans-88.1143.7-178.1-166-13.5000109S281D279-S281 PolarHBondContact OD1-N 2.63Å
280P45.3Very low46.1Very low117 Ų117125.1 Ų125.176%0.7671%0.705SS**  -153148.711038.3-21000117.8
281S42.1Very low48Very low83 Ų83127.4 Ų127.458%0.5870%0.701SS**  trans84.9111.1138.9-143.80000119.9D279 E283D279-S281 PolarHBondContact OD1-N 2.63Å; S281-E283 PolarHBondContact O-N 3.1Å
282D51.4Low49.9Very low173 Ų173123.4 Ų123.493%0.92568%0.681SS**  trans-76.386.2163.6-52.7-73.4000111.4
283E49.1Very low50.9Low159 Ų159119.2 Ų119.274%0.74365%0.653SS**  trans-129.5-10.5172.6-70.7-164.5165.600116S281S281-E283 PolarHBondContact O-N 3.1Å
284D51.3Low51.9Low154 Ų154122.7 Ų122.782%0.82465%0.654SS**SBendtrans-87.1-20.7-173.4-76.1-43.1000115.7
285E52.9Low53.6Low186 Ų186117.7 Ų117.787%0.86964%0.64SS**Hα-helixtrans-78.3-21.4-176.2-71.9-159.1160.200114.9
286D54.1Low55.7Low107 Ų107117.1 Ų117.157%0.57263%0.628SS**Hα-helixtrans-79.2-17.5-176.8-89.3-33.5000113.5L289 E290D286-L289 WeakPolarHBondContact O-CB 3.27Å; D286-E290 PolarHBondContact O-N 3.31Å; D286-E290 VanDerWaalsContact O-N 3.08Å
287S59.3Low57.4Low81 Ų81116.7 Ų116.757%0.56663%0.631SS**Hα-helixtrans-69.1-55.4-175.4-179.60000113L289 E290 E291S287-L289 PolarHBondContact O-N 3.1Å; S287-E290 PolarHBondContact O-N 3.44Å; S287-E290 VanDerWaalsContact O-N 3.13Å; S287-E291 PolarHBondContact O-N 3.5Å; S287-E291 VanDerWaalsContact O-N 3.08Å
288D64.6Low59Low127 Ų127114.6 Ų114.668%0.67962%0.615SS**Hα-helixtrans-58.4-33.5177.1-74.39000111.3E291 F292D288-E291 PolarHBondContact O-N 2.78Å; D288-F292 PolarHBondContact O-N 2.91Å
289L59.9Low60.6Low53 Ų53111.3 Ų111.328%0.27762%0.617SS.*Hα-helixtrans-68.8-37.3-179.8-158.156.9000111.9D286 S287 V293 H301D286-L289 WeakPolarHBondContact O-CB 3.27Å; S287-L289 PolarHBondContact O-N 3.1Å; L289-V293 VanDerWaalsContact O-CG2 3.26Å; L289-V293 WeakPolarHBondContact O-CG2 3.48Å; L289-V293 PolarHBondContact O-N 3.21Å; L289-H301 HydrophobicContact CD1-CB 3.62Å; L289-H301 HydrophobicContact CD2-CB 4.47Å; L289-H301 VanDerWaalsContact CD2-CD2 3.5Å; L289-H301 WeakPolarHBondContact CD2-CD2 3.07Å; L289-H301 WeakPolarHBondContact CD2-NE2 3.48Å; L289-H301 HydrophobicContact CG-CB 3.86Å
290E64.6Low61.8Low105 Ų105106.7 Ų106.749%0.49160%0.596SS.*Hα-helixtrans-78.9-28.9175.8-139.9-174.5-154.100112.8D286 S287 R294D286-E290 PolarHBondContact O-N 3.31Å; D286-E290 VanDerWaalsContact O-N 3.08Å; S287-E290 PolarHBondContact O-N 3.44Å; S287-E290 VanDerWaalsContact O-N 3.13Å; E290-R294 VanDerWaalsContact CD-NH1 3.33Å; E290-R294 WeakPolarHBondContact O-CB 3.26Å; E290-R294 WeakPolarHBondContact O-CG 3.38Å; E290-R294 PolarHBondContact O-N 3.2Å; E290-R294 IonicContact OE1-NH2 2.61Å; E290-R294 PolarHBondContact OE1-NH2 3.28Å; E290-R294 IonicContact OE2-CZ 2.68Å; E290-R294 IonicContact OE2-NH1 3.99Å; E290-R294 PolarHBondContact OE2-NH1 2.84Å; E290-R294 IonicContact OE2-NH2 3.4Å; E290-R294 PolarHBondContact OE2-NH2 3.49Å
291E67.8Low62.7Low135 Ų135106 Ų10663%0.63158%0.582SS**Hα-helixtrans-69.1-41.2170.9-176.9163.4-162.200112S287 D288 V293 R294 S295S287-E291 PolarHBondContact O-N 3.5Å; S287-E291 VanDerWaalsContact O-N 3.08Å; D288-E291 PolarHBondContact O-N 2.78Å; E291-V293 VanDerWaalsContact C-N 3.31Å; E291-V293 PolarHBondContact O-N 3.37Å; E291-R294 PolarHBondContact O-N 2.91Å; E291-S295 WeakPolarHBondContact O-CB 3.4Å; E291-S295 PolarHBondContact O-N 3.26Å; E291-S295 PolarHBondContact O-OG 2.98Å
292F70.3Confident63.8Low104 Ų104109.8 Ų109.846%0.45659%0.588SS.*Hα-helixtrans-58.3-43.4173.1178.5-97.3000111.9D288 S295 H296 L298D288-F292 PolarHBondContact O-N 2.91Å; F292-S295 WeakPolarHBondContact CA-OG 3.46Å; F292-S295 PolarHBondContact O-OG 3.43Å; F292-S295 VanDerWaalsContact O-OG 3.05Å; F292-H296 AromaticContact CD2-CE1 3.64Å; F292-H296 AromaticContact CD2-ND1 3.67Å; F292-H296 AromaticContact CE2-CE1 3.52Å; F292-H296 AromaticContact CE2-ND1 3.66Å; F292-H296 PolarHBondContact O-N 2.97Å; F292-H296 PolarHBondContact O-ND1 3.45Å; F292-L298 HydrophobicContact CE1-CD1 4.5Å
293V72.4Confident64.4Low18 Ų18108.4 Ų108.411%0.10957%0.571CS.*Hα-helixtrans-66.1-43.4178.4170.10000111.6L289 E291 G297 L298 H301L289-V293 VanDerWaalsContact O-CG2 3.26Å; L289-V293 WeakPolarHBondContact O-CG2 3.48Å; L289-V293 PolarHBondContact O-N 3.21Å; E291-V293 VanDerWaalsContact C-N 3.31Å; E291-V293 PolarHBondContact O-N 3.37Å; V293-G297 PolarHBondContact O-N 3.39Å; V293-L298 WeakPolarHBondContact CG1-O 3.27Å; V293-L298 PolarHBondContact O-N 3.42Å; V293-L298 VanDerWaalsContact O-N 3.11Å; V293-H301 HydrophobicContact CG2-CB 4.07Å
294R71.1Confident65.3Low166 Ų166106.5 Ų106.563%0.62657%0.57SS**Hα-helixtrans-66.4-42.9177.2-75.5-177.3-178.3102.68.9113.6E290 E291 H296 G297E290-R294 VanDerWaalsContact CD-NH1 3.33Å; E290-R294 WeakPolarHBondContact O-CB 3.26Å; E290-R294 WeakPolarHBondContact O-CG 3.38Å; E290-R294 PolarHBondContact O-N 3.2Å; E290-R294 IonicContact OE1-NH2 2.61Å; E290-R294 PolarHBondContact OE1-NH2 3.28Å; E290-R294 IonicContact OE2-CZ 2.68Å; E290-R294 IonicContact OE2-NH1 3.99Å; E290-R294 PolarHBondContact OE2-NH1 2.84Å; E290-R294 IonicContact OE2-NH2 3.4Å; E290-R294 PolarHBondContact OE2-NH2 3.49Å; E291-R294 PolarHBondContact O-N 2.91Å; R294-H296 VanDerWaalsContact C-N 3.32Å; R294-H296 PolarHBondContact O-N 3Å; R294-G297 PolarHBondContact O-N 3.17Å
295S72.3Confident66.1Low80 Ų80104.8 Ų104.856%0.55956%0.561SS**Hα-helixtrans-67.3-29.9-176.9490000113.5E291 F292E291-S295 WeakPolarHBondContact O-CB 3.4Å; E291-S295 PolarHBondContact O-N 3.26Å; E291-S295 PolarHBondContact O-OG 2.98Å; F292-S295 WeakPolarHBondContact CA-OG 3.46Å; F292-S295 PolarHBondContact O-OG 3.43Å; F292-S295 VanDerWaalsContact O-OG 3.05Å
296H73.2Confident67Low118 Ų118102.3 Ų102.355%0.54655%0.554SS.*THydrogen-bonded Turntrans-100.21.8179.4-60.285.4000114F292 R294 L298F292-H296 AromaticContact CD2-CE1 3.64Å; F292-H296 AromaticContact CD2-ND1 3.67Å; F292-H296 AromaticContact CE2-CE1 3.52Å; F292-H296 AromaticContact CE2-ND1 3.66Å; F292-H296 PolarHBondContact O-N 2.97Å; F292-H296 PolarHBondContact O-ND1 3.45Å; R294-H296 VanDerWaalsContact C-N 3.32Å; R294-H296 PolarHBondContact O-N 3Å; H296-L298 VanDerWaalsContact C-N 3.26Å; H296-L298 HydrophobicContact CB-CD1 4.21Å; H296-L298 HydrophobicContact CB-CG 4.11Å; H296-L298 PolarHBondContact O-N 3.33Å
297G69.9Low67.7Low71 Ų71102.4 Ų102.473%0.73256%0.558SS**THydrogen-bonded Turntrans66.623.3179.100000114.7V293 R294V293-G297 PolarHBondContact O-N 3.39Å; R294-G297 PolarHBondContact O-N 3.17Å
298L70.8Confident68Low73 Ų73107.1 Ų107.138%0.38257%0.568SS.*  trans-86.2162.1-179.4-62.7177.6000111.2F292 V293 H296 Y303F292-L298 HydrophobicContact CE1-CD1 4.5Å; V293-L298 WeakPolarHBondContact CG1-O 3.27Å; V293-L298 PolarHBondContact O-N 3.42Å; V293-L298 VanDerWaalsContact O-N 3.11Å; H296-L298 VanDerWaalsContact C-N 3.26Å; H296-L298 HydrophobicContact CB-CD1 4.21Å; H296-L298 HydrophobicContact CB-CG 4.11Å; H296-L298 PolarHBondContact O-N 3.33Å; L298-Y303 HydrophobicContact CD2-CD1 4.46Å
299G65.8Low68.2Low82 Ų82108.1 Ų108.185%0.84557%0.572SS**SBendtrans-93.4-14.9178.700000115.2
300S69.6Low67.7Low48 Ų48110.7 Ų110.734%0.33659%0.594SS.*  trans-168.8151.8179.2-178.60000110.5K302S300-K302 PolarHBondContact O-N 3.12Å; S300-K302 PolarHBondContact OG-N 2.8Å
301H64.4Low67.4Low103 Ų103112.2 Ų112.248%0.47762%0.616SS.*THydrogen-bonded Turntrans-69.4-16.2169.460.1-76.2000114.1L289 V293 Y303L289-H301 HydrophobicContact CD1-CB 3.62Å; L289-H301 HydrophobicContact CD2-CB 4.47Å; L289-H301 VanDerWaalsContact CD2-CD2 3.5Å; L289-H301 WeakPolarHBondContact CD2-CD2 3.07Å; L289-H301 WeakPolarHBondContact CD2-NE2 3.48Å; L289-H301 HydrophobicContact CG-CB 3.86Å; V293-H301 HydrophobicContact CG2-CB 4.07Å; H301-Y303 VanDerWaalsContact C-N 3.33Å; H301-Y303 PolarHBondContact O-N 2.92Å
302K64.9Low66.9Low162 Ų162112.1 Ų112.170%0.70462%0.615SS**THydrogen-bonded Turntrans-97.836.6178.5-75.9160.5-176.3161.20112.3S300S300-K302 PolarHBondContact O-N 3.12Å; S300-K302 PolarHBondContact OG-N 2.8Å
303Y63.9Low66.4Low144 Ų144109.7 Ų109.757%0.56562%0.62SS**  trans-100.9100178.5-174.3-119.2000111.8L298 H301 L305L298-Y303 HydrophobicContact CD2-CD1 4.46Å; H301-Y303 VanDerWaalsContact C-N 3.33Å; H301-Y303 PolarHBondContact O-N 2.92Å; Y303-L305 HydrophobicContact CD1-CG 4.16Å; Y303-L305 HydrophobicContact CE1-CD1 4.12Å; Y303-L305 HydrophobicContact CE1-CD2 3.57Å; Y303-L305 HydrophobicContact CE1-CG 3.56Å; Y303-L305 WeakPolarHBondContact OH-CD2 3.48Å
304T67.8Low66.1Low119 Ų119112 Ų11273%0.7363%0.632SS**  trans-87.6120.4172.344.90000111.2
305L68.9Low66.2Low118 Ų118108.2 Ų108.262%0.61862%0.62SS**  trans-88.499.8171.5-81167.5000110.8Y303 V307Y303-L305 HydrophobicContact CD1-CG 4.16Å; Y303-L305 HydrophobicContact CE1-CD1 4.12Å; Y303-L305 HydrophobicContact CE1-CD2 3.57Å; Y303-L305 HydrophobicContact CE1-CG 3.56Å; Y303-L305 WeakPolarHBondContact OH-CD2 3.48Å; L305-V307 VanDerWaalsContact C-N 3.25Å; L305-V307 HydrophobicContact CB-CG2 4.23Å; L305-V307 PolarHBondContact O-N 3.09Å
306D70.7Confident66.5Low135 Ų135105.2 Ų105.272%0.72260%0.598SS**  trans-72.579168.1-78.8-17.6000110.3K308D306-K308 VanDerWaalsContact C-N 3.31Å; D306-K308 PolarHBondContact O-N 2.97Å
307V69Low66.7Low109 Ų109105.7 Ų105.766%0.66160%0.6SS**  trans-71.187.4175.1-175.30000109.6L305 L309L305-V307 VanDerWaalsContact C-N 3.25Å; L305-V307 HydrophobicContact CB-CG2 4.23Å; L305-V307 PolarHBondContact O-N 3.09Å; V307-L309 VanDerWaalsContact C-N 3.34Å; V307-L309 HydrophobicContact CG1-CD2 4.05Å; V307-L309 HydrophobicContact CG1-CG 4.43Å; V307-L309 PolarHBondContact O-N 3.18Å
308K66.5Low67.4Low179 Ų179103 Ų10378%0.77857%0.569SS**  trans-73.288.3171-68.3176.9-176.71730109.5D306 C310D306-K308 VanDerWaalsContact C-N 3.31Å; D306-K308 PolarHBondContact O-N 2.97Å; K308-C310 PolarHBondContact O-N 3.05Å
309L68.4Low68Low148 Ų148102.6 Ų102.678%0.77557%0.567SS**  trans-58.6119.1161.6-59.7178.5000107.8V307 S311V307-L309 VanDerWaalsContact C-N 3.34Å; V307-L309 HydrophobicContact CG1-CD2 4.05Å; V307-L309 HydrophobicContact CG1-CG 4.43Å; V307-L309 PolarHBondContact O-N 3.18Å; L309-S311 PolarHBondContact O-N 2.81Å
310C48.7Very low68.8Low108 Ų108106.1 Ų106.173%0.7356%0.561SS**  trans-61.7135.1173.2-650000109K308 E312K308-C310 PolarHBondContact O-N 3.05Å; C310-E312 PolarHBondContact O-N 3.35Å
311S58.6Low69.4Low136 Ų136110.8 Ų110.895%0.95158%0.583SS**SBendtrans-79.63.4175-47.30000113.2L309L309-S311 PolarHBondContact O-N 2.81Å
312E57Low70.5Confident133 Ų133107 Ų10762%0.62157%0.566SS**SBendtrans-78145.5165.5-65.3-177.3-141.200109.5C310 K315C310-E312 PolarHBondContact O-N 3.35Å; E312-K315 IonicContact OE2-NZ 3.98Å; E312-K315 PolarHBondContact OE2-NZ 3.5Å
313G60.8Low71.6Confident54 Ų54103 Ų10356%0.55755%0.551SS**  trans-64.9173.9-176.500000114.4K315G313-K315 PolarHBondContact O-N 3.47Å
314L66.9Low72.8Confident67 Ų6799.8 Ų99.835%0.35156%0.555SS.*  trans-71.399.4175.9-176.5131.8000109.5V204 F208 V316 L381V204-L314 HydrophobicContact CG1-CD1 4.32Å; V204-L314 HydrophobicContact CG2-CD2 3.63Å; F208-L314 HydrophobicContact CE2-CD1 4.04Å; L314-V316 HydrophobicContact CD2-CG2 3.69Å; L314-L381 HydrophobicContact CD2-CD2 3.57Å; L314-L381 CarbonylContact O-C 3.58Å; L314-L381 WeakPolarHBondContact O-CA 3.06Å
315K73Confident73.9Confident86 Ų8695.7 Ų95.737%0.37453%0.53SS..  trans-90.1112.2-180-71.3171.2174.3-177.40111.4E312 G313 D382 E384E312-K315 IonicContact OE2-NZ 3.98Å; E312-K315 PolarHBondContact OE2-NZ 3.5Å; G313-K315 PolarHBondContact O-N 3.47Å; K315-D382 WeakPolarHBondContact CE-OD2 3.41Å; K315-D382 HydrophobicContact CG-CB 4.14Å; K315-D382 WeakPolarHBondContact CG-OD2 3.46Å; K315-E384 IonicContact NZ-OE1 3.21Å
316V77.6Confident74.8Confident16 Ų1690 Ų9010%0.09750%0.5CS..  trans-94.8107.8173.1-177.70000109.5L203 V204 L314 L381 D382 I383 E384L203-V316 HydrophobicContact CD2-CG1 4.41Å; V204-V316 HydrophobicContact CG2-CG2 4.36Å; L314-V316 HydrophobicContact CD2-CG2 3.69Å; V316-L381 HydrophobicContact CG2-CB 4.35Å; V316-L381 HydrophobicContact CG2-CD2 4.45Å; V316-L381 PolarHBondContact N-O 3.46Å; V316-L381 VanDerWaalsContact N-O 3.17Å; V316-D382 PolarHBondContact N-O 3.15Å; V316-I383 HydrophobicContact CB-CG1 4.29Å; V316-I383 CarbonylContact O-C 3.55Å; V316-I383 VanDerWaalsContact O-CA 3.25Å; V316-I383 WeakPolarHBondContact O-CA 3.5Å; V316-I383 VanDerWaalsContact O-CG2 3.32Å; V316-I383 WeakPolarHBondContact O-CG2 3.46Å; V316-E384 PolarHBondContact O-N 2.85Å
317Q77.9Confident75.7Confident128 Ų12887.8 Ų87.860%0.59849%0.485SS*.  trans-77133.3175.5-65.8-170.5-27.200111.3N322 E384Q317-N322 PolarHBondContact O-ND2 2.78Å; Q317-E384 HydrophobicContact CG-CB 4.25Å; Q317-E384 WeakPolarHBondContact CG-OE2 3.36Å; Q317-E384 PolarHBondContact NE2-OE2 3.46Å
318E84.1Confident76.8Confident15 Ų1584.3 Ų84.37%0.0747%0.468CS..  trans-67.3135.3173.5-65.7-16493.600111.5N322 V326 R330 I383 E384 P385 K386E318-N322 WeakPolarHBondContact CA-OD1 3.46Å; E318-V326 HydrophobicContact CG-CG1 4.37Å; E318-V326 HydrophobicContact CG-CG2 4.44Å; E318-V326 WeakPolarHBondContact OE1-CG1 3.32Å; E318-R330 IonicContact OE1-CZ 2.7Å; E318-R330 IonicContact OE1-NH1 3.53Å; E318-R330 PolarHBondContact OE1-NH1 2.03Å; E318-R330 IonicContact OE1-NH2 2.65Å; E318-R330 PolarHBondContact OE1-NH2 3.15Å; E318-R330 IonicContact OE2-CZ 3.49Å; E318-R330 VanDerWaalsContact OE2-CZ 3.31Å; E318-R330 IonicContact OE2-NH1 2.66Å; E318-R330 PolarHBondContact OE2-NH1 3.27Å; E318-R330 IonicContact OE2-NH2 2.78Å; E318-R330 PolarHBondContact OE2-NH2 2.82Å; E318-I383 HydrophobicContact CG-CG2 3.73Å; E318-E384 PolarHBondContact N-O 2.87Å; E318-P385 WeakPolarHBondContact OE2-CA 3.38Å; E318-K386 HydrophobicContact CB-CB 4.32Å; E318-K386 WeakPolarHBondContact O-CB 3.37Å; E318-K386 WeakPolarHBondContact O-CD 3.45Å; E318-K386 WeakPolarHBondContact O-CG 3.45Å
319N84Confident78Confident65 Ų6575.8 Ų75.835%0.34843%0.431SS..  trans-143172.6176.870.129.3000110.3D321 N322 L323N319-D321 PolarHBondContact O-N 2.94Å; N319-D321 PolarHBondContact OD1-N 3.34Å; N319-D321 VanDerWaalsContact OD1-N 3.13Å; N319-N322 PolarHBondContact N-OD1 2.99Å; N319-N322 PolarHBondContact O-N 2.61Å; N319-N322 PolarHBondContact O-OD1 3.38Å; N319-N322 PolarHBondContact OD1-N 3.06Å; N319-N322 PolarHBondContact OD1-OD1 3.05Å; N319-L323 VanDerWaalsContact O-CB 3.26Å; N319-L323 WeakPolarHBondContact O-CB 3.47Å; N319-L323 PolarHBondContact O-N 3.35Å
320E83.4Confident79Confident156 Ų15671.2 Ų71.273%0.72940%0.403SS*.THydrogen-bonded Turntrans-66.5-24-173.2-75.1148.7-117.800113.2K386E320-K386 IonicContact OE1-NZ 2.84Å; E320-K386 PolarHBondContact OE1-NZ 2.91Å
321D81.8Confident81.1Confident146 Ų14670.1 Ų70.178%0.78139%0.39SS*.THydrogen-bonded Turntrans-82.2-35.7178.3-56.2-59.9000112.6N319N319-D321 PolarHBondContact O-N 2.94Å; N319-D321 PolarHBondContact OD1-N 3.34Å; N319-D321 VanDerWaalsContact OD1-N 3.13Å
322N87.1Confident82.7Confident24 Ų2464.1 Ų64.113%0.12835%0.348CS..THydrogen-bonded Turntrans-96.2-18-176.47715.5000114.5L203 Q317 E318 N319 A324 V325 V326L203-N322 HydrophobicContact CD2-CB 3.89Å; Q317-N322 PolarHBondContact O-ND2 2.78Å; E318-N322 WeakPolarHBondContact CA-OD1 3.46Å; N319-N322 PolarHBondContact N-OD1 2.99Å; N319-N322 PolarHBondContact O-N 2.61Å; N319-N322 PolarHBondContact O-OD1 3.38Å; N319-N322 PolarHBondContact OD1-N 3.06Å; N319-N322 PolarHBondContact OD1-OD1 3.05Å; N322-A324 VanDerWaalsContact C-N 3.25Å; N322-A324 PolarHBondContact O-N 3.17Å; N322-A324 VanDerWaalsContact O-N 3.12Å; N322-V325 WeakPolarHBondContact O-CA 3.5Å; N322-V325 WeakPolarHBondContact O-CB 3.33Å; N322-V325 PolarHBondContact O-N 2.88Å; N322-V326 PolarHBondContact O-N 3.02Å
323L88.3Confident84.3Confident76 Ų7658.3 Ų58.340%0.39832%0.321SS..Hα-helixtrans-49.1-43.3-176.7-17967.6000113N319 V325 V326 H327N319-L323 VanDerWaalsContact O-CB 3.26Å; N319-L323 WeakPolarHBondContact O-CB 3.47Å; N319-L323 PolarHBondContact O-N 3.35Å; L323-V325 VanDerWaalsContact C-N 3.35Å; L323-V325 PolarHBondContact O-N 3.12Å; L323-V326 PolarHBondContact O-N 2.9Å; L323-H327 WeakPolarHBondContact O-CB 3.45Å; L323-H327 PolarHBondContact O-CD2 3.38Å; L323-H327 VanDerWaalsContact O-CD2 3.32Å; L323-H327 PolarHBondContact O-N 3.32Å
324A88.7Confident85.9Confident77 Ų7760.8 Ų60.864%0.63632%0.316SS*.Hα-helixtrans-64.1-37.5178.800000112.9N322 A328N322-A324 VanDerWaalsContact C-N 3.25Å; N322-A324 PolarHBondContact O-N 3.17Å; N322-A324 VanDerWaalsContact O-N 3.12Å; A324-A328 WeakPolarHBondContact O-CB 3.48Å; A324-A328 PolarHBondContact O-N 2.83Å
325V90.4Very high87.1Confident33 Ų3360.8 Ų60.820%0.232%0.316CS..Hα-helixtrans-72.8-41.9177.8-175.50000110.6C199 L202 L203 N322 L323 H327 A328 A329C199-V325 HydrophobicContact CB-CG1 3.8Å; L202-V325 HydrophobicContact CB-CG1 3.96Å; L202-V325 HydrophobicContact CD1-CG1 4.33Å; L202-V325 HydrophobicContact CD1-CG2 4.35Å; L203-V325 HydrophobicContact CD1-CG1 4.35Å; L203-V325 HydrophobicContact CD2-CB 4.21Å; L203-V325 HydrophobicContact CD2-CG1 4.08Å; L203-V325 HydrophobicContact CG-CG1 3.89Å; N322-V325 WeakPolarHBondContact O-CA 3.5Å; N322-V325 WeakPolarHBondContact O-CB 3.33Å; N322-V325 PolarHBondContact O-N 2.88Å; L323-V325 VanDerWaalsContact C-N 3.35Å; L323-V325 PolarHBondContact O-N 3.12Å; V325-H327 PolarHBondContact O-N 3.08Å; V325-A328 PolarHBondContact O-N 3.26Å; V325-A329 WeakPolarHBondContact O-CB 3.42Å; V325-A329 PolarHBondContact O-N 3.4Å
326V88.8Confident88.1Confident0 Ų056.7 Ų56.70%030%0.299CS..Hα-helixtrans-64.1-40.5175.8-177.80000111L203 E318 N322 L323 A329 R330 I383L203-V326 HydrophobicContact CD1-CG2 4.09Å; L203-V326 HydrophobicContact CD2-CG2 3.68Å; E318-V326 HydrophobicContact CG-CG1 4.37Å; E318-V326 HydrophobicContact CG-CG2 4.44Å; E318-V326 WeakPolarHBondContact OE1-CG1 3.32Å; N322-V326 PolarHBondContact O-N 3.02Å; L323-V326 PolarHBondContact O-N 2.9Å; V326-A329 PolarHBondContact O-N 2.81Å; V326-R330 HydrophobicContact CG1-CG 4.4Å; V326-R330 WeakPolarHBondContact O-CB 3.34Å; V326-R330 VanDerWaalsContact O-CG 3.23Å; V326-R330 WeakPolarHBondContact O-CG 3.44Å; V326-R330 PolarHBondContact O-N 2.88Å; V326-I383 HydrophobicContact CG1-CD1 4.08Å; V326-I383 HydrophobicContact CG1-CG2 4.01Å; V326-I383 HydrophobicContact CG2-CG2 4.43Å
327H89.7Confident88.9Confident87 Ų8764.4 Ų64.440%0.40333%0.326SS..Hα-helixtrans-63.2-44.4173.2-91.9-88000112.7L323 V325 A329 R330 D331L323-H327 WeakPolarHBondContact O-CB 3.45Å; L323-H327 PolarHBondContact O-CD2 3.38Å; L323-H327 VanDerWaalsContact O-CD2 3.32Å; L323-H327 PolarHBondContact O-N 3.32Å; V325-H327 PolarHBondContact O-N 3.08Å; H327-A329 PolarHBondContact O-N 3.45Å; H327-R330 PolarHBondContact O-N 2.79Å; H327-D331 PolarHBondContact O-N 3.4Å
328A91.9Very high89.7Confident36 Ų3663.8 Ų63.830%0.29833%0.327SS..Hα-helixtrans-60.7-44.4175.800000112A324 V325 D331 T332A324-A328 WeakPolarHBondContact O-CB 3.48Å; A324-A328 PolarHBondContact O-N 2.83Å; V325-A328 PolarHBondContact O-N 3.26Å; A328-D331 PolarHBondContact O-N 3.38Å; A328-T332 WeakPolarHBondContact O-CB 3.41Å; A328-T332 WeakPolarHBondContact O-CG2 3.09Å; A328-T332 PolarHBondContact O-N 3.48Å; A328-T332 PolarHBondContact O-OG1 3.08Å
329A90.3Very high90.2Very high0 Ų066.8 Ų66.80%034%0.339CS..Hα-helixtrans-59.7-46.9172.800000111.8C199 V325 V326 H327 D331 T332 L333C199-A329 HydrophobicContact CB-CB 3.94Å; V325-A329 WeakPolarHBondContact O-CB 3.42Å; V325-A329 PolarHBondContact O-N 3.4Å; V326-A329 PolarHBondContact O-N 2.81Å; H327-A329 PolarHBondContact O-N 3.45Å; A329-D331 PolarHBondContact O-N 3Å; A329-T332 WeakPolarHBondContact CA-OG1 3.41Å; A329-T332 PolarHBondContact O-OG1 3.06Å; A329-L333 VanDerWaalsContact O-CB 3.24Å; A329-L333 WeakPolarHBondContact O-CB 3.42Å; A329-L333 VanDerWaalsContact O-CD1 3.26Å; A329-L333 WeakPolarHBondContact O-CD1 3.34Å; A329-L333 WeakPolarHBondContact O-CG 3.28Å; A329-L333 PolarHBondContact O-N 3.42Å
330R90.6Very high90.7Very high52 Ų5263.7 Ų63.720%0.19632%0.323CS..Hα-helixtrans-59.6-42.9178.3-76.7168176.4161.6-0.8112.3E318 V326 H327 K334 Y378E318-R330 IonicContact OE1-CZ 2.7Å; E318-R330 IonicContact OE1-NH1 3.53Å; E318-R330 PolarHBondContact OE1-NH1 2.03Å; E318-R330 IonicContact OE1-NH2 2.65Å; E318-R330 PolarHBondContact OE1-NH2 3.15Å; E318-R330 IonicContact OE2-CZ 3.49Å; E318-R330 VanDerWaalsContact OE2-CZ 3.31Å; E318-R330 IonicContact OE2-NH1 2.66Å; E318-R330 PolarHBondContact OE2-NH1 3.27Å; E318-R330 IonicContact OE2-NH2 2.78Å; E318-R330 PolarHBondContact OE2-NH2 2.82Å; V326-R330 HydrophobicContact CG1-CG 4.4Å; V326-R330 WeakPolarHBondContact O-CB 3.34Å; V326-R330 VanDerWaalsContact O-CG 3.23Å; V326-R330 WeakPolarHBondContact O-CG 3.44Å; V326-R330 PolarHBondContact O-N 2.88Å; H327-R330 PolarHBondContact O-N 2.79Å; R330-K334 VanDerWaalsContact O-CG 3.23Å; R330-K334 WeakPolarHBondContact O-CG 3.35Å; R330-K334 PolarHBondContact O-N 3.06Å; R330-Y378 HydrophobicContact CG-CE2 4.06Å; R330-Y378 WeakPolarHBondContact CG-OH 3.44Å; R330-Y378 PolarHBondContact NE-OH 3.37Å; R330-Y378 VanDerWaalsContact NE-OH 3.1Å
331D92.6Very high91.2Very high85 Ų8557.7 Ų57.746%0.45530%0.296SS..Hα-helixtrans-76.4-36.1-176.6-74-18.4000113.2H327 A328 A329 K334 L335H327-D331 PolarHBondContact O-N 3.4Å; A328-D331 PolarHBondContact O-N 3.38Å; A329-D331 PolarHBondContact O-N 3Å; D331-K334 WeakPolarHBondContact O-CB 3.18Å; D331-K334 PolarHBondContact O-N 3Å; D331-K334 WeakPolarHBondContact OD1-CD 3.32Å; D331-K334 WeakPolarHBondContact OD1-CE 3.43Å; D331-K334 IonicContact OD1-NZ 3.1Å; D331-K334 PolarHBondContact OD1-NZ 3.06Å; D331-L335 PolarHBondContact O-N 2.98Å; D331-L335 VanDerWaalsContact O-N 3.12Å
332T91.1Very high91.9Very high10 Ų1054 Ų546%0.06128%0.279CS..Hα-helixtrans-67.3-39.1170.848.10000112.1E195 V196 A328 A329 L335 I336E195-T332 HydrophobicContact CB-CG2 4.42Å; E195-T332 HydrophobicContact CG-CG2 3.91Å; E195-T332 WeakPolarHBondContact OE2-CG2 3.31Å; V196-T332 WeakPolarHBondContact CG2-OG1 3.49Å; A328-T332 WeakPolarHBondContact O-CB 3.41Å; A328-T332 WeakPolarHBondContact O-CG2 3.09Å; A328-T332 PolarHBondContact O-N 3.48Å; A328-T332 PolarHBondContact O-OG1 3.08Å; A329-T332 WeakPolarHBondContact CA-OG1 3.41Å; A329-T332 PolarHBondContact O-OG1 3.06Å; T332-L335 WeakPolarHBondContact O-CB 3.5Å; T332-L335 PolarHBondContact O-N 3.4Å; T332-L335 VanDerWaalsContact O-N 3.13Å; T332-I336 PolarHBondContact O-N 2.92Å
333L91.5Very high92.3Very high11 Ų1153.7 Ų53.76%0.05828%0.281CS..Hα-helixtrans-68.2-33174.3-70.2163.4000113V196 F200 A329 L335 I336 R337 A374 L375 Y378V196-L333 HydrophobicContact CG1-CD2 4.06Å; V196-L333 HydrophobicContact CG1-CG 4.42Å; V196-L333 HydrophobicContact CG2-CD2 4.29Å; V196-L333 HydrophobicContact CG2-CG 4.2Å; F200-L333 HydrophobicContact CE1-CD1 4.42Å; F200-L333 HydrophobicContact CZ-CD1 4.39Å; A329-L333 VanDerWaalsContact O-CB 3.24Å; A329-L333 WeakPolarHBondContact O-CB 3.42Å; A329-L333 VanDerWaalsContact O-CD1 3.26Å; A329-L333 WeakPolarHBondContact O-CD1 3.34Å; A329-L333 WeakPolarHBondContact O-CG 3.28Å; A329-L333 PolarHBondContact O-N 3.42Å; L333-L335 VanDerWaalsContact C-N 3.33Å; L333-I336 HydrophobicContact CD2-CD1 4.31Å; L333-I336 PolarHBondContact O-N 2.76Å; L333-R337 WeakPolarHBondContact O-CB 3.24Å; L333-R337 PolarHBondContact O-N 3.46Å; L333-A374 HydrophobicContact CD2-CB 4.4Å; L333-L375 HydrophobicContact CB-CD2 4.5Å; L333-L375 HydrophobicContact CD2-CD2 4.06Å; L333-Y378 VanDerWaalsContact CD1-CB 3.46Å; L333-Y378 HydrophobicContact CD1-CD1 4.16Å; L333-Y378 HydrophobicContact CD1-CD2 3.24Å; L333-Y378 HydrophobicContact CD1-CE2 4.02Å; L333-Y378 HydrophobicContact CD1-CG 3.33Å
334K93.6Very high92.7Very high107 Ų10750.1 Ų50.147%0.46526%0.262SS..Hα-helixtrans-60.4-42.4167.7-73165.3-156.9167.80111R330 D331 R337 N338R330-K334 VanDerWaalsContact O-CG 3.23Å; R330-K334 WeakPolarHBondContact O-CG 3.35Å; R330-K334 PolarHBondContact O-N 3.06Å; D331-K334 WeakPolarHBondContact O-CB 3.18Å; D331-K334 PolarHBondContact O-N 3Å; D331-K334 WeakPolarHBondContact OD1-CD 3.32Å; D331-K334 WeakPolarHBondContact OD1-CE 3.43Å; D331-K334 IonicContact OD1-NZ 3.1Å; D331-K334 PolarHBondContact OD1-NZ 3.06Å; K334-R337 PolarHBondContact O-N 2.9Å; K334-N338 WeakPolarHBondContact O-CB 3.45Å; K334-N338 VanDerWaalsContact O-CG 3.24Å; K334-N338 PolarHBondContact O-N 3.34Å
335L93.8Very high93Very high67 Ų6748.4 Ų48.435%0.35125%0.245SC..Hα-helixtrans-65-41.6177.3-171.565000111.8D331 T332 L333 K339 F340D331-L335 PolarHBondContact O-N 2.98Å; D331-L335 VanDerWaalsContact O-N 3.12Å; T332-L335 WeakPolarHBondContact O-CB 3.5Å; T332-L335 PolarHBondContact O-N 3.4Å; T332-L335 VanDerWaalsContact O-N 3.13Å; L333-L335 VanDerWaalsContact C-N 3.33Å; L335-K339 HydrophobicContact CD1-CB 3.88Å; L335-K339 HydrophobicContact CD1-CD 3.72Å; L335-K339 HydrophobicContact CD1-CG 4.46Å; L335-K339 HydrophobicContact CG-CD 4.45Å; L335-K339 WeakPolarHBondContact O-CB 3.26Å; L335-K339 PolarHBondContact O-N 3.31Å; L335-F340 HydrophobicContact CD2-CE2 3.71Å; L335-F340 HydrophobicContact CD2-CZ 4.11Å; L335-F340 HydrophobicContact CG-CD2 4.19Å; L335-F340 HydrophobicContact CG-CE2 3.68Å; L335-F340 HydrophobicContact CG-CZ 4.27Å; L335-F340 PolarHBondContact O-N 3.23Å
336I93.5Very high93.3Very high0 Ų048.8 Ų48.80%025%0.249CC..Iπ-helixtrans-57.8-52.7172.1-73.7174.3000111.3L193 V196 T332 L333 N338 F340 L341 L371 A374 L375L193-I336 HydrophobicContact CD2-CD1 4.22Å; V196-I336 HydrophobicContact CG2-CD1 3.94Å; T332-I336 PolarHBondContact O-N 2.92Å; L333-I336 HydrophobicContact CD2-CD1 4.31Å; L333-I336 PolarHBondContact O-N 2.76Å; I336-N338 PolarHBondContact O-N 3.29Å; I336-F340 HydrophobicContact CG1-CD2 4.26Å; I336-F340 PolarHBondContact O-N 2.87Å; I336-L341 WeakPolarHBondContact O-CB 3.39Å; I336-L341 PolarHBondContact O-N 3.12Å; I336-L371 HydrophobicContact CB-CD2 4.13Å; I336-L371 HydrophobicContact CD1-CD2 4Å; I336-L371 HydrophobicContact CG1-CD2 3.66Å; I336-L371 HydrophobicContact CG2-CB 4.09Å; I336-L371 HydrophobicContact CG2-CD2 3.63Å; I336-L371 HydrophobicContact CG2-CG 4.44Å; I336-A374 HydrophobicContact CD1-CB 4.33Å; I336-L375 HydrophobicContact CG2-CD1 3.92Å; I336-L375 HydrophobicContact CG2-CD2 4.33Å; I336-L375 HydrophobicContact CG2-CG 3.92Å
337R93.6Very high93.6Very high177 Ų17748.8 Ų48.867%0.66825%0.249SC*.Iπ-helixtrans-63.5-40.1-178.4-175176.4176170.8-3.1112.9L333 K334 P342 L375L333-R337 WeakPolarHBondContact O-CB 3.24Å; L333-R337 PolarHBondContact O-N 3.46Å; K334-R337 PolarHBondContact O-N 2.9Å; R337-P342 WeakPolarHBondContact O-CD 3.17Å; R337-L375 HydrophobicContact CB-CD2 4.44Å
338N94.4Very high93.7Very high115 Ų11546.1 Ų46.162%0.61524%0.237SC*.Iπ-helixtrans-100.3-27.6-166.9-61.3-10.9000114.3K334 I336K334-N338 WeakPolarHBondContact O-CB 3.45Å; K334-N338 VanDerWaalsContact O-CG 3.24Å; K334-N338 PolarHBondContact O-N 3.34Å; I336-N338 PolarHBondContact O-N 3.29Å
339K94.9Very high93.8Very high78 Ų7849.8 Ų49.834%0.33925%0.248SC..Iπ-helixtrans-108.7-58-179.9-179.4-170.5171-169.20112E188 L335 A343E188-K339 IonicContact OE2-NZ 3.41Å; E188-K339 PolarHBondContact OE2-NZ 3.39Å; L335-K339 HydrophobicContact CD1-CB 3.88Å; L335-K339 HydrophobicContact CD1-CD 3.72Å; L335-K339 HydrophobicContact CD1-CG 4.46Å; L335-K339 HydrophobicContact CG-CD 4.45Å; L335-K339 WeakPolarHBondContact O-CB 3.26Å; L335-K339 PolarHBondContact O-N 3.31Å; K339-A343 WeakPolarHBondContact O-CB 3.4Å; K339-A343 PolarHBondContact O-N 2.62Å
340F94.9Very high93.9Very high1 Ų153.1 Ų53.10%0.00426%0.261CS..Iπ-helixtrans-78.7-50-165.7-61.3-52.1000113.3E188 I189 C192 L335 I336 A343 V344 L371E188-F340 HydrophobicContact CB-CE1 4.01Å; E188-F340 HydrophobicContact CB-CZ 3.89Å; I189-F340 HydrophobicContact CD1-CB 4.43Å; I189-F340 HydrophobicContact CD1-CD1 4.04Å; I189-F340 HydrophobicContact CD1-CG 4.44Å; I189-F340 HydrophobicContact CG1-CB 4.02Å; I189-F340 HydrophobicContact CG1-CD1 3.38Å; I189-F340 HydrophobicContact CG1-CD2 4.27Å; I189-F340 HydrophobicContact CG1-CE1 3.78Å; I189-F340 HydrophobicContact CG1-CG 3.66Å; I189-F340 HydrophobicContact CG1-CZ 4.37Å; C192-F340 HydrophobicContact CB-CE2 3.99Å; L335-F340 HydrophobicContact CD2-CE2 3.71Å; L335-F340 HydrophobicContact CD2-CZ 4.11Å; L335-F340 HydrophobicContact CG-CD2 4.19Å; L335-F340 HydrophobicContact CG-CE2 3.68Å; L335-F340 HydrophobicContact CG-CZ 4.27Å; L335-F340 PolarHBondContact O-N 3.23Å; I336-F340 HydrophobicContact CG1-CD2 4.26Å; I336-F340 PolarHBondContact O-N 2.87Å; F340-A343 WeakPolarHBondContact O-CB 3.29Å; F340-A343 PolarHBondContact O-N 2.89Å; F340-A343 VanDerWaalsContact O-N 3.07Å; F340-V344 WeakPolarHBondContact O-CG2 3.45Å; F340-V344 PolarHBondContact O-N 3.27Å; F340-L371 HydrophobicContact CB-CD1 4.02Å; F340-L371 HydrophobicContact CB-CD2 4.28Å
341L94.9Very high94Very high30 Ų3050.9 Ų50.916%0.15725%0.252CS..Hα-helixtrans-59-41.7-180-174.268.9000112.9I336 C345 K368 L371 E372 L375I336-L341 WeakPolarHBondContact O-CB 3.39Å; I336-L341 PolarHBondContact O-N 3.12Å; L341-C345 WeakPolarHBondContact O-CB 3.4Å; L341-C345 PolarHBondContact O-N 3.42Å; L341-C345 PolarHBondContact O-SG 2.88Å; L341-C345 VanDerWaalsContact O-SG 3.38Å; L341-K368 HydrophobicContact CD1-CG 4.03Å; L341-L371 HydrophobicContact CD1-CB 4.35Å; L341-E372 HydrophobicContact CD1-CG 3.92Å; L341-L375 HydrophobicContact CD2-CD1 4.06Å
342P96.5Very high93.9Very high67 Ų6750.6 Ų50.644%0.43525%0.254SS..Hα-helixtrans-64.2-37.5172.2-24.736.4000113.9R337 S346R337-P342 WeakPolarHBondContact O-CD 3.17Å; P342-S346 PolarHBondContact O-N 3.24Å
343A95.6Very high93.7Very high19 Ų1958 Ų5816%0.15728%0.281CS..Hα-helixtrans-65.5-46.7177.500000111.7M185 K339 F340 C345 S346 W347M185-A343 HydrophobicContact CE-CB 3.76Å; K339-A343 WeakPolarHBondContact O-CB 3.4Å; K339-A343 PolarHBondContact O-N 2.62Å; F340-A343 WeakPolarHBondContact O-CB 3.29Å; F340-A343 PolarHBondContact O-N 2.89Å; F340-A343 VanDerWaalsContact O-N 3.07Å; A343-C345 PolarHBondContact O-N 2.86Å; A343-S346 WeakPolarHBondContact O-CA 3.48Å; A343-S346 VanDerWaalsContact O-CB 3.23Å; A343-S346 WeakPolarHBondContact O-CB 3.12Å; A343-S346 PolarHBondContact O-N 3.22Å; A343-W347 HydrophobicContact CB-CH2 4.43Å; A343-W347 HydrophobicContact CB-CZ2 4.18Å; A343-W347 PolarHBondContact O-N 3.09Å
344V96Very high93.3Very high0 Ų059.5 Ų59.50%029%0.291CS..Hα-helixtrans-60.7-45.4176.7177.50000111.2I189 F340 S346 W347 I348 A364 L367 K368 L371I189-V344 HydrophobicContact CD1-CG2 4.25Å; F340-V344 WeakPolarHBondContact O-CG2 3.45Å; F340-V344 PolarHBondContact O-N 3.27Å; V344-S346 VanDerWaalsContact C-N 3.29Å; V344-S346 PolarHBondContact O-N 2.9Å; V344-W347 HydrophobicContact CB-CE3 4.27Å; V344-W347 HydrophobicContact CB-CZ3 4.45Å; V344-W347 HydrophobicContact CG2-CE3 3.94Å; V344-W347 HydrophobicContact CG2-CZ3 3.65Å; V344-W347 PolarHBondContact O-N 3.01Å; V344-W347 VanDerWaalsContact O-N 3.12Å; V344-I348 HydrophobicContact CG1-CD1 4.14Å; V344-I348 WeakPolarHBondContact O-CG1 3.46Å; V344-I348 PolarHBondContact O-N 3.36Å; V344-A364 WeakPolarHBondContact CG1-O 3.49Å; V344-L367 HydrophobicContact CG2-CB 4.48Å; V344-K368 HydrophobicContact CG1-CB 3.77Å; V344-L371 HydrophobicContact CG2-CD1 3.92Å
345C94.9Very high92.5Very high42 Ų4256.4 Ų56.428%0.28429%0.289SS..Hα-helixtrans-58.6-38.2172.5-76.30000112.6L341 A343 Q349L341-C345 WeakPolarHBondContact O-CB 3.4Å; L341-C345 PolarHBondContact O-N 3.42Å; L341-C345 PolarHBondContact O-SG 2.88Å; L341-C345 VanDerWaalsContact O-SG 3.38Å; A343-C345 PolarHBondContact O-N 2.86Å; C345-Q349 WeakPolarHBondContact O-CG 3.35Å; C345-Q349 PolarHBondContact O-N 2.97Å; C345-Q349 VanDerWaalsContact O-N 3.13Å
346S95.4Very high91.4Very high40 Ų4056 Ų5628%0.2829%0.289SS..Hα-helixtrans-62.7-42.6173.6-163.50000111.9P342 A343 V344 Q349 R350P342-S346 PolarHBondContact O-N 3.24Å; A343-S346 WeakPolarHBondContact O-CA 3.48Å; A343-S346 VanDerWaalsContact O-CB 3.23Å; A343-S346 WeakPolarHBondContact O-CB 3.12Å; A343-S346 PolarHBondContact O-N 3.22Å; V344-S346 VanDerWaalsContact C-N 3.29Å; V344-S346 PolarHBondContact O-N 2.9Å; S346-Q349 PolarHBondContact O-N 3.47Å; S346-R350 WeakPolarHBondContact O-CG 3.47Å; S346-R350 PolarHBondContact O-N 2.99Å; S346-R350 PolarHBondContact OG-NE 2.94Å; S346-R350 VanDerWaalsContact OG-NE 3.14Å; S346-R350 PolarHBondContact OG-NH2 3.16Å
347W95.1Very high90Very high1 Ų163.7 Ų63.70%0.00433%0.325CS..Hα-helixtrans-65.9-46.4178.5-57.4-31.9000112.3A178 E181 M182 M185 I189 A343 V344 Q349 R350 F351A178-W347 HydrophobicContact CB-CB 4.35Å; A178-W347 HydrophobicContact CB-CG 4.29Å; E181-W347 VanDerWaalsContact C-CZ2 3.48Å; E181-W347 HydrophobicContact CB-CZ2 3.96Å; E181-W347 WeakPolarHBondContact O-CZ2 3.48Å; E181-W347 PolarHBondContact OE2-NE1 2.81Å; E181-W347 VanDerWaalsContact OE2-NE1 3.1Å; M182-W347 HydrophobicContact CB-CD2 3.9Å; M182-W347 HydrophobicContact CB-CE3 3.71Å; M182-W347 HydrophobicContact CB-CH2 4.09Å; M182-W347 HydrophobicContact CB-CZ2 4.2Å; M182-W347 HydrophobicContact CB-CZ3 3.83Å; M182-W347 HydrophobicContact CG-CD2 4.36Å; M182-W347 HydrophobicContact CG-CE3 3.68Å; M182-W347 HydrophobicContact CG-CH2 4.33Å; M182-W347 HydrophobicContact CG-CZ3 3.68Å; M182-W347 HydrophobicContact SD-CE3 4.24Å; M185-W347 HydrophobicContact CB-CH2 4.09Å; M185-W347 HydrophobicContact CB-CZ2 4.47Å; M185-W347 HydrophobicContact CE-CH2 3.84Å; M185-W347 HydrophobicContact CE-CZ2 3.44Å; M185-W347 VanDerWaalsContact CE-CZ2 3.44Å; I189-W347 HydrophobicContact CD1-CH2 4.07Å; I189-W347 HydrophobicContact CD1-CZ3 4.11Å; A343-W347 HydrophobicContact CB-CH2 4.43Å; A343-W347 HydrophobicContact CB-CZ2 4.18Å; A343-W347 PolarHBondContact O-N 3.09Å; V344-W347 HydrophobicContact CB-CE3 4.27Å; V344-W347 HydrophobicContact CB-CZ3 4.45Å; V344-W347 HydrophobicContact CG2-CE3 3.94Å; V344-W347 HydrophobicContact CG2-CZ3 3.65Å; V344-W347 PolarHBondContact O-N 3.01Å; V344-W347 VanDerWaalsContact O-N 3.12Å; W347-Q349 VanDerWaalsContact C-N 3.3Å; W347-Q349 PolarHBondContact O-N 3.31Å; W347-R350 WeakPolarHBondContact O-CB 3.47Å; W347-R350 PolarHBondContact O-N 3.27Å; W347-F351 HydrophobicContact CB-CD2 4.34Å; W347-F351 HydrophobicContact CB-CE2 3.86Å; W347-F351 HydrophobicContact CB-CZ 4.49Å; W347-F351 WeakPolarHBondContact O-CD2 3.16Å; W347-F351 WeakPolarHBondContact O-CG 3.46Å; W347-F351 PolarHBondContact O-N 3.21Å
348I93.4Very high89.1Confident31 Ų3157.3 Ų57.316%0.15931%0.314CS..Hα-helixtrans-54.3-47.5174.8-65.8168.4000110.3V344 R350 F351 T352 L361 A364 I365 K368V344-I348 HydrophobicContact CG1-CD1 4.14Å; V344-I348 WeakPolarHBondContact O-CG1 3.46Å; V344-I348 PolarHBondContact O-N 3.36Å; I348-R350 VanDerWaalsContact C-N 3.33Å; I348-R350 PolarHBondContact O-N 2.84Å; I348-F351 PolarHBondContact O-N 3.31Å; I348-T352 WeakPolarHBondContact O-CB 3.24Å; I348-T352 PolarHBondContact O-N 3.47Å; I348-T352 PolarHBondContact O-OG1 3.31Å; I348-L361 HydrophobicContact CG2-CD1 4.14Å; I348-A364 HydrophobicContact CG1-CB 3.74Å; I348-I365 HydrophobicContact CD1-CG1 4.15Å; I348-I365 HydrophobicContact CG1-CG1 4.36Å; I348-K368 HydrophobicContact CD1-CB 4.21Å; I348-K368 HydrophobicContact CD1-CD 3.75Å
349Q92.8Very high88.6Confident113 Ų11354 Ų5453%0.52831%0.307SS..Hα-helixtrans-61.5-36.5176.3-71179.623.800113.5C345 S346 W347 R353C345-Q349 WeakPolarHBondContact O-CG 3.35Å; C345-Q349 PolarHBondContact O-N 2.97Å; C345-Q349 VanDerWaalsContact O-N 3.13Å; S346-Q349 PolarHBondContact O-N 3.47Å; W347-Q349 VanDerWaalsContact C-N 3.3Å; W347-Q349 PolarHBondContact O-N 3.31Å; Q349-R353 VanDerWaalsContact O-CG 3.26Å; Q349-R353 WeakPolarHBondContact O-CG 3.39Å; Q349-R353 PolarHBondContact O-N 3.08Å
350R92.2Very high88.2Confident69 Ų6951.5 Ų51.526%0.2630%0.299SS..Hα-helixtrans-70-43.4177.9-67.3165.5-157.3-164.616.8111.5A178 E181 S346 W347 I348A178-R350 HydrophobicContact CB-CB 4.05Å; A178-R350 HydrophobicContact CB-CG 4.47Å; E181-R350 VanDerWaalsContact CD-NH1 3.25Å; E181-R350 IonicContact OE1-NH1 2.97Å; E181-R350 PolarHBondContact OE1-NH1 2.84Å; E181-R350 VanDerWaalsContact OE1-NH1 3.12Å; E181-R350 IonicContact OE2-CZ 2.72Å; E181-R350 VanDerWaalsContact OE2-CZ 3.27Å; E181-R350 IonicContact OE2-NH1 2.75Å; E181-R350 PolarHBondContact OE2-NH1 3.1Å; E181-R350 IonicContact OE2-NH2 3.46Å; E181-R350 PolarHBondContact OE2-NH2 3.02Å; S346-R350 WeakPolarHBondContact O-CG 3.47Å; S346-R350 PolarHBondContact O-N 2.99Å; S346-R350 PolarHBondContact OG-NE 2.94Å; S346-R350 VanDerWaalsContact OG-NE 3.14Å; S346-R350 PolarHBondContact OG-NH2 3.16Å; W347-R350 WeakPolarHBondContact O-CB 3.47Å; W347-R350 PolarHBondContact O-N 3.27Å; I348-R350 VanDerWaalsContact C-N 3.33Å; I348-R350 PolarHBondContact O-N 2.84Å
351F92.7Very high88.1Confident5 Ų552.2 Ų52.22%0.02230%0.303CS..Hα-helixtrans-67.3-47.2178-63-45.3000112.3A175 A178 E179 M182 W347 I348 R353 V354 G355 T356 C360 L361 A364A175-F351 HydrophobicContact CB-CD1 4.12Å; A175-F351 WeakPolarHBondContact O-CE1 3.35Å; A178-F351 HydrophobicContact CB-CE1 3.93Å; A178-F351 HydrophobicContact CB-CZ 3.94Å; E179-F351 HydrophobicContact CB-CE1 4.23Å; E179-F351 HydrophobicContact CB-CZ 4.32Å; M182-F351 HydrophobicContact CE-CE2 4.38Å; M182-F351 HydrophobicContact CE-CZ 4.24Å; M182-F351 HydrophobicContact SD-CE2 4.26Å; W347-F351 HydrophobicContact CB-CD2 4.34Å; W347-F351 HydrophobicContact CB-CE2 3.86Å; W347-F351 HydrophobicContact CB-CZ 4.49Å; W347-F351 WeakPolarHBondContact O-CD2 3.16Å; W347-F351 WeakPolarHBondContact O-CG 3.46Å; W347-F351 PolarHBondContact O-N 3.21Å; I348-F351 PolarHBondContact O-N 3.31Å; F351-R353 PolarHBondContact O-N 3.02Å; F351-V354 PolarHBondContact O-N 3.4Å; F351-G355 PolarHBondContact O-N 3.08Å; F351-T356 PolarHBondContact O-N 3Å; F351-T356 PolarHBondContact O-OG1 2.82Å; F351-T356 VanDerWaalsContact O-OG1 3.1Å; F351-C360 HydrophobicContact CE1-CB 4.39Å; F351-C360 WeakPolarHBondContact CE2-O 3.39Å; F351-C360 HydrophobicContact CZ-CB 4.17Å; F351-L361 HydrophobicContact CB-CB 4.19Å; F351-L361 HydrophobicContact CB-CD1 4.01Å; F351-L361 HydrophobicContact CD2-CB 4.47Å; F351-L361 HydrophobicContact CD2-CD1 4.46Å; F351-A364 HydrophobicContact CD2-CB 4.32Å; F351-A364 HydrophobicContact CE2-CB 4.11Å
352T90.8Very high88Confident80 Ų8057.2 Ų57.249%0.49132%0.323SS..Hα-helixtrans-59.2-34.8179.5-61.40000112.2I348 V354 G355I348-T352 WeakPolarHBondContact O-CB 3.24Å; I348-T352 PolarHBondContact O-N 3.47Å; I348-T352 PolarHBondContact O-OG1 3.31Å; T352-V354 PolarHBondContact O-N 3.46Å; T352-G355 PolarHBondContact O-N 2.85Å; T352-G355 VanDerWaalsContact O-N 3.14Å
353R87.1Confident87.7Confident164 Ų16459 Ų5962%0.61932%0.322SS*.THydrogen-bonded Turntrans-67.5-15.9176.7-76.8176-175.5-172.75.1115.1Q349 F351Q349-R353 VanDerWaalsContact O-CG 3.26Å; Q349-R353 WeakPolarHBondContact O-CG 3.39Å; Q349-R353 PolarHBondContact O-N 3.08Å; F351-R353 PolarHBondContact O-N 3.02Å
354V84.3Confident87.7Confident44 Ų4458.1 Ų58.127%0.26731%0.314SS..THydrogen-bonded Turntrans-101.2-6.4175.2-166.80000111.4Y171 Q172 A175 F351 T352 T356Y171-V354 WeakPolarHBondContact O-CG2 3.47Å; Q172-V354 HydrophobicContact CG-CG1 3.84Å; A175-V354 HydrophobicContact CB-CG2 3.8Å; F351-V354 PolarHBondContact O-N 3.4Å; T352-V354 PolarHBondContact O-N 3.46Å; V354-T356 HydrophobicContact CB-CG2 3.88Å; V354-T356 HydrophobicContact CG1-CG2 3.72Å; V354-T356 PolarHBondContact O-N 2.96Å
355G75.8Confident87.6Confident42 Ų4262.3 Ų62.343%0.43334%0.336SS..THydrogen-bonded Turntrans66.621.2-171.200000113F351 T352 H357F351-G355 PolarHBondContact O-N 3.08Å; T352-G355 PolarHBondContact O-N 2.85Å; T352-G355 VanDerWaalsContact O-N 3.14Å; G355-H357 VanDerWaalsContact C-N 3.29Å; G355-H357 PolarHBondContact O-CD2 3.32Å; G355-H357 PolarHBondContact O-N 2.96Å
356T70.9Confident87.6Confident58 Ų5863 Ų6336%0.35634%0.336SS..  trans-79.377-178.950.50000110.8F351 V354 G358F351-T356 PolarHBondContact O-N 3Å; F351-T356 PolarHBondContact O-OG1 2.82Å; F351-T356 VanDerWaalsContact O-OG1 3.1Å; V354-T356 HydrophobicContact CB-CG2 3.88Å; V354-T356 HydrophobicContact CG1-CG2 3.72Å; V354-T356 PolarHBondContact O-N 2.96Å; T356-G358 PolarHBondContact O-N 3Å
357H64.6Low87.5Confident162 Ų16261.8 Ų61.875%0.7533%0.327SS*.  trans-72.645171.3-58.6-78.8000112.3G355G355-H357 VanDerWaalsContact C-N 3.29Å; G355-H357 PolarHBondContact O-CD2 3.32Å; G355-H357 PolarHBondContact O-N 2.96Å
358G74.6Confident87.6Confident42 Ų4264.4 Ų64.443%0.43334%0.338SS..SBendtrans-95.9174.717600000112.2T356 C360 L361 K362T356-G358 PolarHBondContact O-N 3Å; G358-C360 PolarHBondContact O-N 3.41Å; G358-L361 PolarHBondContact O-N 2.7Å; G358-K362 PolarHBondContact O-N 2.68Å
359G83Confident87.7Confident46 Ų4665.3 Ų65.347%0.47435%0.35SS..Hα-helixtrans-56.7-20.3-178.800000114.9K362 R363G359-K362 PolarHBondContact O-N 3.14Å; G359-R363 WeakPolarHBondContact O-CG 3.37Å; G359-R363 PolarHBondContact O-N 3.08Å; G359-R363 PolarHBondContact O-NH1 3.38Å
360C87.7Confident87.8Confident26 Ų2664.3 Ų64.318%0.17635%0.346CS..Hα-helixtrans-73.9-32.7177.3-48.80000112.6E179 M182 F351 G358 R363 A364E179-C360 PolarHBondContact OE1-SG 3.12Å; M182-C360 HydrophobicContact CE-CB 3.96Å; F351-C360 HydrophobicContact CE1-CB 4.39Å; F351-C360 WeakPolarHBondContact CE2-O 3.39Å; F351-C360 HydrophobicContact CZ-CB 4.17Å; G358-C360 PolarHBondContact O-N 3.41Å; C360-R363 PolarHBondContact SG-NH2 3.04Å; C360-A364 PolarHBondContact O-N 2.86Å
361L92.1Very high87.9Confident15 Ų1561 Ų618%0.07933%0.333CS..Hα-helixtrans-69.9-40.2168.5175.361.1000110.6I348 F351 G358 A364 I365I348-L361 HydrophobicContact CG2-CD1 4.14Å; F351-L361 HydrophobicContact CB-CB 4.19Å; F351-L361 HydrophobicContact CB-CD1 4.01Å; F351-L361 HydrophobicContact CD2-CB 4.47Å; F351-L361 HydrophobicContact CD2-CD1 4.46Å; G358-L361 PolarHBondContact O-N 2.7Å; L361-A364 PolarHBondContact O-N 2.89Å; L361-I365 HydrophobicContact CD1-CD1 4.04Å; L361-I365 HydrophobicContact CD1-CG1 4.4Å; L361-I365 HydrophobicContact CG-CD1 4.03Å; L361-I365 WeakPolarHBondContact O-CG1 3.27Å; L361-I365 PolarHBondContact O-N 3.47Å; L361-I365 VanDerWaalsContact O-N 3.12Å
362K92.4Very high87.9Confident135 Ų13564.1 Ų64.159%0.58735%0.348SS*.Hα-helixtrans-60.3-54.9176-164-163159176.90111G358 G359 A364 I365 D366G358-K362 PolarHBondContact O-N 2.68Å; G359-K362 PolarHBondContact O-N 3.14Å; K362-A364 PolarHBondContact O-N 2.86Å; K362-A364 VanDerWaalsContact O-N 3.14Å; K362-I365 CarbonylContact O-C 3.59Å; K362-I365 WeakPolarHBondContact O-CA 3.45Å; K362-I365 WeakPolarHBondContact O-CB 3.46Å; K362-I365 PolarHBondContact O-N 2.92Å; K362-D366 WeakPolarHBondContact CE-OD1 3.25Å; K362-D366 VanDerWaalsContact CE-OD2 3.24Å; K362-D366 WeakPolarHBondContact CE-OD2 3.46Å; K362-D366 WeakPolarHBondContact CG-OD2 3.3Å; K362-D366 PolarHBondContact O-N 3.42Å
363R91.3Very high88Confident106 Ų10663.4 Ų63.440%0.434%0.341SS..Hα-helixtrans-54.5-36.8178.4-70.5-167.7-49.7-82.43113.1M182 G359 C360 D366 L367M182-R363 HydrophobicContact SD-CB 4.44Å; G359-R363 WeakPolarHBondContact O-CG 3.37Å; G359-R363 PolarHBondContact O-N 3.08Å; G359-R363 PolarHBondContact O-NH1 3.38Å; C360-R363 PolarHBondContact SG-NH2 3.04Å; R363-D366 PolarHBondContact O-N 3.23Å; R363-L367 WeakPolarHBondContact O-CB 3.39Å; R363-L367 VanDerWaalsContact O-CG 3.24Å; R363-L367 WeakPolarHBondContact O-CG 3.16Å; R363-L367 PolarHBondContact O-N 3.14Å
364A94.1Very high88.2Confident0 Ų055.9 Ų55.90%031%0.313CS..Hα-helixtrans-68.2-33175.300000112.9M182 V344 I348 F351 C360 L361 K362 K368M182-A364 HydrophobicContact SD-CB 3.92Å; V344-A364 WeakPolarHBondContact CG1-O 3.49Å; I348-A364 HydrophobicContact CG1-CB 3.74Å; F351-A364 HydrophobicContact CD2-CB 4.32Å; F351-A364 HydrophobicContact CE2-CB 4.11Å; C360-A364 PolarHBondContact O-N 2.86Å; L361-A364 PolarHBondContact O-N 2.89Å; K362-A364 PolarHBondContact O-N 2.86Å; K362-A364 VanDerWaalsContact O-N 3.14Å; A364-K368 WeakPolarHBondContact O-CB 3.36Å; A364-K368 PolarHBondContact O-N 3.01Å
365I94.2Very high88.5Confident87 Ų8755.7 Ų55.745%0.44631%0.311SS..Hα-helixtrans-73.2-42.4173.1-65.9164.4000110.6I348 L361 K362 K368 A369I348-I365 HydrophobicContact CD1-CG1 4.15Å; I348-I365 HydrophobicContact CG1-CG1 4.36Å; L361-I365 HydrophobicContact CD1-CD1 4.04Å; L361-I365 HydrophobicContact CD1-CG1 4.4Å; L361-I365 HydrophobicContact CG-CD1 4.03Å; L361-I365 WeakPolarHBondContact O-CG1 3.27Å; L361-I365 PolarHBondContact O-N 3.47Å; L361-I365 VanDerWaalsContact O-N 3.12Å; K362-I365 CarbonylContact O-C 3.59Å; K362-I365 WeakPolarHBondContact O-CA 3.45Å; K362-I365 WeakPolarHBondContact O-CB 3.46Å; K362-I365 PolarHBondContact O-N 2.92Å; I365-K368 WeakPolarHBondContact O-CB 3.2Å; I365-K368 PolarHBondContact O-N 2.96Å; I365-K368 VanDerWaalsContact O-N 3.17Å; I365-A369 PolarHBondContact O-N 3Å
366D94.7Very high89.2Confident56 Ų5659.6 Ų59.630%0.29931%0.312SS..Hα-helixtrans-58.8-53177.4-54.5-31.7000110.2K362 R363 K368 A369 E370K362-D366 WeakPolarHBondContact CE-OD1 3.25Å; K362-D366 VanDerWaalsContact CE-OD2 3.24Å; K362-D366 WeakPolarHBondContact CE-OD2 3.46Å; K362-D366 WeakPolarHBondContact CG-OD2 3.3Å; K362-D366 PolarHBondContact O-N 3.42Å; R363-D366 PolarHBondContact O-N 3.23Å; D366-K368 VanDerWaalsContact C-N 3.26Å; D366-K368 PolarHBondContact O-N 3.03Å; D366-A369 WeakPolarHBondContact O-CB 3.28Å; D366-A369 PolarHBondContact O-N 3.46Å; D366-E370 PolarHBondContact O-N 3.1Å
367L94.7Very high90Very high16 Ų1659.5 Ų59.58%0.08431%0.307CS..Hα-helixtrans-58.3-33.6174.7-71.7170.8000113M182 I189 V344 R363 L371M182-L367 HydrophobicContact CG-CD1 4.35Å; I189-L367 HydrophobicContact CG2-CD2 3.95Å; V344-L367 HydrophobicContact CG2-CB 4.48Å; R363-L367 WeakPolarHBondContact O-CB 3.39Å; R363-L367 VanDerWaalsContact O-CG 3.24Å; R363-L367 WeakPolarHBondContact O-CG 3.16Å; R363-L367 PolarHBondContact O-N 3.14Å; L367-L371 WeakPolarHBondContact O-CB 3.38Å; L367-L371 WeakPolarHBondContact O-CD1 3.47Å; L367-L371 VanDerWaalsContact O-CG 3.22Å; L367-L371 WeakPolarHBondContact O-CG 3.4Å; L367-L371 PolarHBondContact O-N 3.27Å; L367-L371 VanDerWaalsContact O-N 3.11Å
368K95.5Very high91.1Very high56 Ų5654.6 Ų54.624%0.24328%0.282CS..Hα-helixtrans-66-44.7174.9-176.7178.4174.8-71.50110.7L341 V344 I348 A364 I365 D366 L371 E372L341-K368 HydrophobicContact CD1-CG 4.03Å; V344-K368 HydrophobicContact CG1-CB 3.77Å; I348-K368 HydrophobicContact CD1-CB 4.21Å; I348-K368 HydrophobicContact CD1-CD 3.75Å; A364-K368 WeakPolarHBondContact O-CB 3.36Å; A364-K368 PolarHBondContact O-N 3.01Å; I365-K368 WeakPolarHBondContact O-CB 3.2Å; I365-K368 PolarHBondContact O-N 2.96Å; I365-K368 VanDerWaalsContact O-N 3.17Å; D366-K368 VanDerWaalsContact C-N 3.26Å; D366-K368 PolarHBondContact O-N 3.03Å; K368-L371 PolarHBondContact O-N 3.12Å; K368-E372 VanDerWaalsContact CE-OE1 3.28Å; K368-E372 WeakPolarHBondContact CE-OE1 3.28Å; K368-E372 IonicContact NZ-OE1 3.39Å; K368-E372 PolarHBondContact NZ-OE1 3.23Å; K368-E372 IonicContact NZ-OE2 3.14Å; K368-E372 PolarHBondContact NZ-OE2 3Å; K368-E372 WeakPolarHBondContact O-CB 3.4Å; K368-E372 WeakPolarHBondContact O-CG 3.4Å; K368-E372 PolarHBondContact O-N 3.08Å
369A96.1Very high91.6Very high50 Ų5060.4 Ų60.441%0.41330%0.296SS..Hα-helixtrans-65.1-38.1179.800000112.1I365 D366 E372 L373I365-A369 PolarHBondContact O-N 3Å; D366-A369 WeakPolarHBondContact O-CB 3.28Å; D366-A369 PolarHBondContact O-N 3.46Å; A369-E372 PolarHBondContact O-N 3.27Å; A369-L373 VanDerWaalsContact O-CB 3.3Å; A369-L373 WeakPolarHBondContact O-CB 3.27Å; A369-L373 PolarHBondContact O-N 3.28Å
370E94.6Very high91.6Very high91 Ų9163.9 Ų63.943%0.42530%0.3SS..Hα-helixtrans-64-47.6174.2-69.8168-170.700112.1L193 D366 E372 L373 A374L193-E370 HydrophobicContact CD1-CB 3.96Å; D366-E370 PolarHBondContact O-N 3.1Å; E370-E372 VanDerWaalsContact C-N 3.33Å; E370-E372 PolarHBondContact O-N 3.4Å; E370-L373 WeakPolarHBondContact O-CB 3.49Å; E370-L373 PolarHBondContact O-N 3.42Å; E370-L373 VanDerWaalsContact O-N 3.13Å; E370-A374 PolarHBondContact O-N 2.9Å
371L94.5Very high91.3Very high0 Ų063.4 Ų63.40%030%0.295CS..Hα-helixtrans-63.9-36.4176.7-69.1165.9000112.4I189 L193 I336 F340 L341 V344 L367 K368 L375I189-L371 HydrophobicContact CG2-CD1 4.26Å; I189-L371 HydrophobicContact CG2-CD2 4.12Å; I189-L371 HydrophobicContact CG2-CG 4.34Å; L193-L371 HydrophobicContact CD1-CD2 4.41Å; L193-L371 HydrophobicContact CD2-CD2 3.95Å; L193-L371 HydrophobicContact CG-CD2 4.18Å; I336-L371 HydrophobicContact CB-CD2 4.13Å; I336-L371 HydrophobicContact CD1-CD2 4Å; I336-L371 HydrophobicContact CG1-CD2 3.66Å; I336-L371 HydrophobicContact CG2-CB 4.09Å; I336-L371 HydrophobicContact CG2-CD2 3.63Å; I336-L371 HydrophobicContact CG2-CG 4.44Å; F340-L371 HydrophobicContact CB-CD1 4.02Å; F340-L371 HydrophobicContact CB-CD2 4.28Å; L341-L371 HydrophobicContact CD1-CB 4.35Å; V344-L371 HydrophobicContact CG2-CD1 3.92Å; L367-L371 WeakPolarHBondContact O-CB 3.38Å; L367-L371 WeakPolarHBondContact O-CD1 3.47Å; L367-L371 VanDerWaalsContact O-CG 3.22Å; L367-L371 WeakPolarHBondContact O-CG 3.4Å; L367-L371 PolarHBondContact O-N 3.27Å; L367-L371 VanDerWaalsContact O-N 3.11Å; K368-L371 PolarHBondContact O-N 3.12Å; L371-L375 WeakPolarHBondContact O-CG 3.2Å; L371-L375 PolarHBondContact O-N 2.93Å
372E94Very high90.6Very high70 Ų7066.5 Ų66.533%0.32731%0.312SS..Hα-helixtrans-77.9-18.6174.2-71.8175.5153.200113.5L341 K368 A369 E370 R376L341-E372 HydrophobicContact CD1-CG 3.92Å; K368-E372 VanDerWaalsContact CE-OE1 3.28Å; K368-E372 WeakPolarHBondContact CE-OE1 3.28Å; K368-E372 IonicContact NZ-OE1 3.39Å; K368-E372 PolarHBondContact NZ-OE1 3.23Å; K368-E372 IonicContact NZ-OE2 3.14Å; K368-E372 PolarHBondContact NZ-OE2 3Å; K368-E372 WeakPolarHBondContact O-CB 3.4Å; K368-E372 WeakPolarHBondContact O-CG 3.4Å; K368-E372 PolarHBondContact O-N 3.08Å; A369-E372 PolarHBondContact O-N 3.27Å; E370-E372 VanDerWaalsContact C-N 3.33Å; E370-E372 PolarHBondContact O-N 3.4Å; E372-R376 VanDerWaalsContact O-CG 3.31Å; E372-R376 WeakPolarHBondContact O-CG 3.26Å; E372-R376 PolarHBondContact O-N 2.67Å; E372-R376 PolarHBondContact O-NE 2.75Å
373L92.4Very high90Very high65 Ų6561 Ų6134%0.3429%0.289SS..Hα-helixtrans-76-45.8169-179.463.4000110.7A369 E370 L375 R376 K377A369-L373 VanDerWaalsContact O-CB 3.3Å; A369-L373 WeakPolarHBondContact O-CB 3.27Å; A369-L373 PolarHBondContact O-N 3.28Å; E370-L373 WeakPolarHBondContact O-CB 3.49Å; E370-L373 PolarHBondContact O-N 3.42Å; E370-L373 VanDerWaalsContact O-N 3.13Å; L373-L375 VanDerWaalsContact C-N 3.3Å; L373-L375 PolarHBondContact O-N 3.03Å; L373-R376 WeakPolarHBondContact O-CA 3.31Å; L373-R376 WeakPolarHBondContact O-CB 3.5Å; L373-R376 PolarHBondContact O-N 2.92Å; L373-K377 PolarHBondContact O-N 3.41Å
374A90.6Very high88.9Confident6 Ų659.3 Ų59.35%0.0529%0.285CS..Hα-helixtrans-58.5-41.3175.400000112.4L193 V196 F200 L333 I336 E370 R376 Y378L193-A374 HydrophobicContact CD2-CB 3.88Å; V196-A374 HydrophobicContact CG1-CB 4.19Å; F200-A374 WeakPolarHBondContact CZ-O 3.4Å; L333-A374 HydrophobicContact CD2-CB 4.4Å; I336-A374 HydrophobicContact CD1-CB 4.33Å; E370-A374 PolarHBondContact O-N 2.9Å; A374-R376 VanDerWaalsContact C-N 3.29Å; A374-R376 PolarHBondContact O-N 3.01Å; A374-Y378 PolarHBondContact O-N 3.24Å
375L91.2Very high87.7Confident40 Ų4063.7 Ų63.721%0.20931%0.314CS..Hα-helixtrans-70-19.6174.1-73.2169.1000114.3L333 I336 R337 L341 L371 L373L333-L375 HydrophobicContact CB-CD2 4.5Å; L333-L375 HydrophobicContact CD2-CD2 4.06Å; I336-L375 HydrophobicContact CG2-CD1 3.92Å; I336-L375 HydrophobicContact CG2-CD2 4.33Å; I336-L375 HydrophobicContact CG2-CG 3.92Å; R337-L375 HydrophobicContact CB-CD2 4.44Å; L341-L375 HydrophobicContact CD2-CD1 4.06Å; L371-L375 WeakPolarHBondContact O-CG 3.2Å; L371-L375 PolarHBondContact O-N 2.93Å; L373-L375 VanDerWaalsContact C-N 3.3Å; L373-L375 PolarHBondContact O-N 3.03Å
376R89.9Confident85.7Confident124 Ų12465.7 Ų65.747%0.46832%0.319SS..Hα-helixtrans-83.3-50.4172.8-84.1-179-67.7149.4-3.2111.4E372 L373 A374 Y378 K379 E380E372-R376 VanDerWaalsContact O-CG 3.31Å; E372-R376 WeakPolarHBondContact O-CG 3.26Å; E372-R376 PolarHBondContact O-N 2.67Å; E372-R376 PolarHBondContact O-NE 2.75Å; L373-R376 WeakPolarHBondContact O-CA 3.31Å; L373-R376 WeakPolarHBondContact O-CB 3.5Å; L373-R376 PolarHBondContact O-N 2.92Å; A374-R376 VanDerWaalsContact C-N 3.29Å; A374-R376 PolarHBondContact O-N 3.01Å; R376-Y378 VanDerWaalsContact C-N 3.27Å; R376-Y378 PolarHBondContact O-N 3.17Å; R376-K379 WeakPolarHBondContact O-CA 3.39Å; R376-K379 WeakPolarHBondContact O-CB 3.3Å; R376-K379 PolarHBondContact O-N 3.42Å; R376-E380 PolarHBondContact O-N 3.42Å
377K88.1Confident83.4Confident56 Ų5666.4 Ų66.424%0.24334%0.34CS..Hα-helixtrans-46.9-49174.9-76.2-171.1175.7-176.10111.9E197 F200 L373 K379 E380 L381E197-K377 IonicContact OE1-NZ 3.28Å; E197-K377 PolarHBondContact OE1-NZ 3.45Å; E197-K377 IonicContact OE2-NZ 3.5Å; E197-K377 PolarHBondContact OE2-NZ 3.37Å; F200-K377 HydrophobicContact CD2-CB 3.96Å; F200-K377 HydrophobicContact CD2-CD 3.72Å; F200-K377 HydrophobicContact CE2-CB 3.42Å; F200-K377 VanDerWaalsContact CE2-CB 3.42Å; F200-K377 HydrophobicContact CE2-CD 3.8Å; F200-K377 HydrophobicContact CE2-CG 4.24Å; F200-K377 HydrophobicContact CZ-CB 3.9Å; L373-K377 PolarHBondContact O-N 3.41Å; K377-K379 VanDerWaalsContact C-N 3.28Å; K377-K379 PolarHBondContact O-N 3.43Å; K377-E380 WeakPolarHBondContact O-CB 3.32Å; K377-E380 PolarHBondContact O-N 3.1Å; K377-L381 WeakPolarHBondContact O-CG 3.24Å; K377-L381 PolarHBondContact O-N 3.38Å; K377-L381 VanDerWaalsContact O-N 3.16Å
378Y86.6Confident80.6Confident59 Ų5973.8 Ų73.823%0.23137%0.374CS..Hα-helixtrans-60.6-31.9178.3-179.8-91.6000114.5F200 R330 L333 A374 R376 I383F200-Y378 HydrophobicContact CE1-CD2 4.27Å; R330-Y378 HydrophobicContact CG-CE2 4.06Å; R330-Y378 WeakPolarHBondContact CG-OH 3.44Å; R330-Y378 PolarHBondContact NE-OH 3.37Å; R330-Y378 VanDerWaalsContact NE-OH 3.1Å; L333-Y378 VanDerWaalsContact CD1-CB 3.46Å; L333-Y378 HydrophobicContact CD1-CD1 4.16Å; L333-Y378 HydrophobicContact CD1-CD2 3.24Å; L333-Y378 HydrophobicContact CD1-CE2 4.02Å; L333-Y378 HydrophobicContact CD1-CG 3.33Å; A374-Y378 PolarHBondContact O-N 3.24Å; R376-Y378 VanDerWaalsContact C-N 3.27Å; R376-Y378 PolarHBondContact O-N 3.17Å; Y378-I383 HydrophobicContact CD2-CD1 4.1Å; Y378-I383 HydrophobicContact CE2-CD1 3.59Å
379K85.3Confident77.8Confident165 Ų16579.9 Ų79.972%0.71740%0.403SS*.Hα-helixtrans-74.5-32.1174.3-66.7179.3174.2-166.60112R376 K377 L381 D382R376-K379 WeakPolarHBondContact O-CA 3.39Å; R376-K379 WeakPolarHBondContact O-CB 3.3Å; R376-K379 PolarHBondContact O-N 3.42Å; K377-K379 VanDerWaalsContact C-N 3.28Å; K377-K379 PolarHBondContact O-N 3.43Å; K379-L381 PolarHBondContact O-N 2.96Å; K379-D382 PolarHBondContact O-N 2.99Å
380E84.4Confident75Confident118 Ų11888.1 Ų88.155%0.55142%0.424SS*.Hα-helixtrans-73.6-14.8178-66.8154.2-16300112.5R376 K377R376-E380 PolarHBondContact O-N 3.42Å; K377-E380 WeakPolarHBondContact O-CB 3.32Å; K377-E380 PolarHBondContact O-N 3.1Å
381L80.8Confident72.1Confident17 Ų1792.2 Ų92.29%0.08944%0.442CS..THydrogen-bonded Turntrans-83.1-3.6173.1-64.8-177.4000115.1F200 L203 V204 L314 V316 K377 K379 I383F200-L381 HydrophobicContact CD1-CD1 3.59Å; F200-L381 HydrophobicContact CE1-CD1 3.93Å; F200-L381 HydrophobicContact CG-CD1 4.38Å; L203-L381 HydrophobicContact CD1-CD1 4.37Å; V204-L381 HydrophobicContact CG2-CD2 3.51Å; L314-L381 HydrophobicContact CD2-CD2 3.57Å; L314-L381 CarbonylContact O-C 3.58Å; L314-L381 WeakPolarHBondContact O-CA 3.06Å; V316-L381 HydrophobicContact CG2-CB 4.35Å; V316-L381 HydrophobicContact CG2-CD2 4.45Å; V316-L381 PolarHBondContact N-O 3.46Å; V316-L381 VanDerWaalsContact N-O 3.17Å; K377-L381 WeakPolarHBondContact O-CG 3.24Å; K377-L381 PolarHBondContact O-N 3.38Å; K377-L381 VanDerWaalsContact O-N 3.16Å; K379-L381 PolarHBondContact O-N 2.96Å; L381-I383 HydrophobicContact CB-CD1 4.22Å; L381-I383 HydrophobicContact CB-CG1 3.83Å; L381-I383 HydrophobicContact CD1-CD1 4.43Å; L381-I383 WeakPolarHBondContact O-CG1 3.39Å; L381-I383 PolarHBondContact O-N 3.26Å
382D77.4Confident69.3Low79 Ų79103.1 Ų103.142%0.42248%0.484SS..  trans28.963176.4-160.425.6000114.4K315 V316 K379 E384K315-D382 WeakPolarHBondContact CE-OD2 3.41Å; K315-D382 HydrophobicContact CG-CB 4.14Å; K315-D382 WeakPolarHBondContact CG-OD2 3.46Å; V316-D382 PolarHBondContact N-O 3.15Å; K379-D382 PolarHBondContact O-N 2.99Å; D382-E384 PolarHBondContact O-N 2.9Å
383I79.4Confident66.2Low20 Ų20106.2 Ų106.210%0.10351%0.507CS..  trans-78.895.6-165.2-50.3-171.2000110.9L203 V316 E318 V326 Y378 L381 P385L203-I383 HydrophobicContact CD1-CD1 4.4Å; V316-I383 HydrophobicContact CB-CG1 4.29Å; V316-I383 CarbonylContact O-C 3.55Å; V316-I383 VanDerWaalsContact O-CA 3.25Å; V316-I383 WeakPolarHBondContact O-CA 3.5Å; V316-I383 VanDerWaalsContact O-CG2 3.32Å; V316-I383 WeakPolarHBondContact O-CG2 3.46Å; E318-I383 HydrophobicContact CG-CG2 3.73Å; V326-I383 HydrophobicContact CG1-CD1 4.08Å; V326-I383 HydrophobicContact CG1-CG2 4.01Å; V326-I383 HydrophobicContact CG2-CG2 4.43Å; Y378-I383 HydrophobicContact CD2-CD1 4.1Å; Y378-I383 HydrophobicContact CE2-CD1 3.59Å; L381-I383 HydrophobicContact CB-CD1 4.22Å; L381-I383 HydrophobicContact CB-CG1 3.83Å; L381-I383 HydrophobicContact CD1-CD1 4.43Å; L381-I383 WeakPolarHBondContact O-CG1 3.39Å; L381-I383 PolarHBondContact O-N 3.26Å; I383-P385 WeakPolarHBondContact O-CD 3.35Å
384E69.3Low63.6Low70 Ų70111.6 Ų111.633%0.32753%0.531SS..  trans-65.5115.6175.3-69.5-176.1164.600110.9K315 V316 Q317 E318 D382K315-E384 IonicContact NZ-OE1 3.21Å; V316-E384 PolarHBondContact O-N 2.85Å; Q317-E384 HydrophobicContact CG-CB 4.25Å; Q317-E384 WeakPolarHBondContact CG-OE2 3.36Å; Q317-E384 PolarHBondContact NE2-OE2 3.46Å; E318-E384 PolarHBondContact N-O 2.87Å; D382-E384 PolarHBondContact O-N 2.9Å
385P67.7Low60.6Low93 Ų93116 Ų11660%0.60457%0.567SS**  trans-68.9134.9174.429.1-33.6000110.3E318 I383 G387E318-P385 WeakPolarHBondContact OE2-CA 3.38Å; I383-P385 WeakPolarHBondContact O-CD 3.35Å; P385-G387 PolarHBondContact O-N 3.37Å
386K52.3Low58Low128 Ų128122.8 Ų122.856%0.55760%0.603SS**  trans-60104.9-176.5-159.4-177.4-174.8-178.80110.2E318 E320 E388E318-K386 HydrophobicContact CB-CB 4.32Å; E318-K386 WeakPolarHBondContact O-CB 3.37Å; E318-K386 WeakPolarHBondContact O-CD 3.45Å; E318-K386 WeakPolarHBondContact O-CG 3.45Å; E320-K386 IonicContact OE1-NZ 2.84Å; E320-K386 PolarHBondContact OE1-NZ 2.91Å; K386-E388 PolarHBondContact O-N 3.37Å
387G45.9Very low55.2Low71 Ų71120.5 Ų120.573%0.73262%0.618SS**  trans-64107.8-170.200000113.9P385P385-G387 PolarHBondContact O-N 3.37Å
388E36Very low52.5Low171 Ų171125.9 Ų125.980%0.79965%0.649SS**  trans-61.3138151.5-73.4-162.7146.600109.1K386 R390K386-E388 PolarHBondContact O-N 3.37Å; E388-R390 VanDerWaalsContact C-N 3.29Å; E388-R390 PolarHBondContact O-N 3.02Å
389Q37.9Very low50.5Low184 Ų184126.7 Ų126.786%0.8667%0.668SS**  trans-73.179.6179.1-70.9-178.9-28.600111.9
390R36.7Very low48.1Very low224 Ų224127.3 Ų127.385%0.84567%0.673SS**  trans-84.5113152.2-70-170.2178.2-163.70.5107.9E388 R392E388-R390 VanDerWaalsContact C-N 3.29Å; E388-R390 PolarHBondContact O-N 3.02Å; R390-R392 PolarHBondContact O-N 2.95Å; R390-R392 VanDerWaalsContact O-N 3.12Å
391H32.8Very low46.5Very low176 Ų176130.1 Ų130.182%0.81569%0.687SS**  trans-59114.5-176.7-81.7-90.2000111.6
392R36.2Very low44.2Very low229 Ų229137.2 Ų137.286%0.86473%0.725SS**PPolyproline II helixtrans-81.9123.2162.4-165.9-180-163.7173.46.4108.3R390R390-R392 PolarHBondContact O-N 2.95Å; R390-R392 VanDerWaalsContact O-N 3.12Å
393T29Very low42.5Very low135 Ų135142.3 Ų142.383%0.82875%0.746SS**PPolyproline II helixtrans-100.6137159.6-50.50000107
394E37.7Very low40.5Very low179 Ų179149.9 Ų149.984%0.83679%0.787SS**PPolyproline II helixtrans-82.5142.5-166.4-59176.2142.600112.8
395A28.3Very low38.9Very low97 Ų97154.1 Ų154.180%0.80281%0.812SS**  trans-138.8122.6160.200000109
396L36.3Very low37.9Very low183 Ų183158.6 Ų158.696%0.95882%0.824SS**  trans-83.6143.5161.7-56166.4000106.8
397G31.2Very low37.4Very low76 Ų76159.8 Ų159.878%0.78484%0.837SS**  cis149.197.9-0.200000110.1
398D30.6Very low37.3Very low169 Ų169165.3 Ų165.390%0.90484%0.841SS**  trans-144.4159.4162.7-155.7-4000107.9
399A45.8Very low37.9Very low77 Ų77163.7 Ų163.764%0.63684%0.843SS**  trans-87.1143.9-167.200000113.9
400E34.5Very low38.7Very low177 Ų177163.4 Ų163.483%0.82784%0.841SS**  -162.7172.1107.5-88.1-48.1157.700109.7
401E50Low39.9Very low177 Ų177158.6 Ų158.683%0.82784%0.836SS**  trans-77.8133.7176.4-55.4178.514500112.2
402D33.8Very low40.7Very low167 Ų167155.6 Ų155.689%0.89383%0.833SS**  trans-154.8164.7160.3-109.2-36.7000112
403E40.8Very low41.6Very low186 Ų186153.4 Ų153.487%0.86983%0.832SS**  trans-86.8151.1-166.3-58-179.3128.400113.8D405E403-D405 PolarHBondContact O-N 3.37Å
404D37.2Very low42.6Very low179 Ų179156.4 Ų156.496%0.95783%0.834SS**  trans-68.287.5-179.6-72.3-62.2000113.1
405D37.3Very low43Very low158 Ų158157.2 Ų157.285%0.84584%0.837SS**  trans-89.5143.6160.6-104.6-30.2000110.9E403 D407E403-D405 PolarHBondContact O-N 3.37Å; D405-D407 VanDerWaalsContact C-N 3.31Å; D405-D407 PolarHBondContact O-N 3.03Å
406E46.7Very low44.1Very low187 Ų187156.3 Ų156.387%0.87484%0.838SS**  trans-76.172.4-177.3-67.3-169.9132.600112.6
407D41.3Very low44.8Very low153 Ų153156.8 Ų156.882%0.81883%0.828SS**  trans-70.6134.7-174.7-159.614.9000113.5D405D405-D407 VanDerWaalsContact C-N 3.31Å; D405-D407 PolarHBondContact O-N 3.03Å
408F43.5Very low45.6Very low188 Ų188160.9 Ų160.983%0.82583%0.827SS**  trans-87.4113.2-179.5-91.9-108.6000109.4E410F408-E410 PolarHBondContact O-N 2.97Å
409V49.4Very low46.8Very low137 Ų137158 Ų15883%0.8382%0.817SS**  trans-46.7104.5-177.9-176.20000112.1V411V409-V411 PolarHBondContact O-N 3.05Å
410E54Low46.9Very low177 Ų177160.6 Ų160.683%0.82782%0.816SS**PPolyproline II helixtrans-66.7119.3175.2-173.9163-128.100109.2F408 P412F408-E410 PolarHBondContact O-N 2.97Å; E410-P412 WeakPolarHBondContact O-CD 3.24Å
411V62.6Low47.7Very low123 Ų123156 Ų15675%0.74580%0.796SS**PPolyproline II helixtrans-72.7119.1178.7177.80000107.7V409 E413V409-V411 PolarHBondContact O-N 3.05Å; V411-E413 PolarHBondContact O-N 2.91Å
412P49.6Very low47.7Very low113 Ų113150.2 Ų150.273%0.73477%0.774SS**PPolyproline II helixtrans-53.5129.3-176.5-28.636000111.8E410 K414E410-P412 WeakPolarHBondContact O-CD 3.24Å; P412-K414 PolarHBondContact O-N 3.23Å; P412-K414 VanDerWaalsContact O-N 3.17Å
413E53.8Low48.5Very low184 Ų184148 Ų14886%0.8676%0.762SS**PPolyproline II helixtrans-56.9123.7-177.9-72.3-155134.500110.3V411 E415V411-E413 PolarHBondContact O-N 2.91Å; E413-E415 PolarHBondContact O-N 3.34Å
414K49.5Very low48.8Very low197 Ų197146.1 Ų146.186%0.85775%0.753SS**  trans-8186.9-173.9-161.7175.2-171.8179.30109.7P412 G416P412-K414 PolarHBondContact O-N 3.23Å; P412-K414 VanDerWaalsContact O-N 3.17Å; K414-G416 PolarHBondContact O-N 3.44Å
415E47.5Very low49.4Very low196 Ų196140.9 Ų140.992%0.91673%0.725SS**SBendtrans-45.2124.1177.2-64.6-169.215000111E413E413-E415 PolarHBondContact O-N 3.34Å
416G51.8Low50.2Low78 Ų78138.1 Ų138.180%0.80470%0.702SS**  trans122.38.8-174.200000116.3K414 E418K414-G416 PolarHBondContact O-N 3.44Å; G416-E418 PolarHBondContact O-N 3.01Å
417Y50.2Low50.5Low193 Ų193133.7 Ų133.776%0.75769%0.692SS**  trans-78.792.5171-172.7-105.4000112.1P419Y417-P419 HydrophobicContact CD1-CB 4.43Å; Y417-P419 HydrophobicContact CD1-CG 3.94Å; Y417-P419 HydrophobicContact CE1-CB 3.8Å; Y417-P419 HydrophobicContact CE1-CG 3.77Å; Y417-P419 WeakPolarHBondContact O-CD 3.43Å
418E47.1Very low51Low163 Ų163134.1 Ų134.176%0.76269%0.689SS**  trans-79.5115.4162.4-71.7-164.613700110G416 H420G416-E418 PolarHBondContact O-N 3.01Å; E418-H420 PolarHBondContact O-N 3.05Å
419P55.5Low51.4Low107 Ų107133.5 Ų133.570%0.69568%0.682SS**SBendtrans-71.2-2.1-171.5-20.633.5000116Y417Y417-P419 HydrophobicContact CD1-CB 4.43Å; Y417-P419 HydrophobicContact CD1-CG 3.94Å; Y417-P419 HydrophobicContact CE1-CB 3.8Å; Y417-P419 HydrophobicContact CE1-CG 3.77Å; Y417-P419 WeakPolarHBondContact O-CD 3.43Å
420H49.6Very low51.6Low132 Ų132130 Ų13061%0.61167%0.674SS**  trans-147.293.8-171.1-172.676.5000113.1E418 P422E418-H420 PolarHBondContact O-N 3.05Å; H420-P422 WeakPolarHBondContact O-CD 2.97Å
421I50.6Low51.4Low81 Ų81127.3 Ų127.342%0.41567%0.665SS.*  trans-69.3118.9169.3-58.3173.7000109.2L425 R426I421-L425 HydrophobicContact CG2-CB 3.98Å; I421-R426 HydrophobicContact CG2-CG 4.4Å; I421-R426 PolarHBondContact O-NH1 3.44Å
422P50.1Low50.5Low55 Ų55130.4 Ų130.436%0.35767%0.671SS.*  trans-61.2146.9179.7-24.835.7000113.2H420 H424 L425H420-P422 WeakPolarHBondContact O-CD 2.97Å; P422-H424 PolarHBondContact O-N 2.81Å; P422-L425 PolarHBondContact O-N 3Å
423D50.9Low50.3Low120 Ų120129.8 Ų129.864%0.64268%0.676SS**G310 helixtrans-57.7-27.6-165.8-69.3-39.2000115.9L425 R426D423-L425 VanDerWaalsContact C-N 3.3Å; D423-L425 PolarHBondContact O-N 3.1Å; D423-R426 PolarHBondContact O-N 3.12Å; D423-R426 WeakPolarHBondContact OD1-CD 3.36Å; D423-R426 IonicContact OD1-NE 3.84Å
424H47.6Very low49.3Very low148 Ų148127.6 Ų127.669%0.68568%0.675SS**G310 helixtrans-73.2-15.3179.964.2-87.4000114.6P422P422-H424 PolarHBondContact O-N 2.81Å
425L48.3Very low48.8Very low69 Ų69125.9 Ų125.936%0.36167%0.674SS.*G310 helixtrans-100-7.5178-62.8176.9000113.4I421 P422 D423 S427 E428I421-L425 HydrophobicContact CG2-CB 3.98Å; P422-L425 PolarHBondContact O-N 3Å; D423-L425 VanDerWaalsContact C-N 3.3Å; D423-L425 PolarHBondContact O-N 3.1Å; L425-S427 PolarHBondContact O-N 3.23Å; L425-E428 PolarHBondContact O-N 2.64Å
426R54.6Low48.6Very low100 Ų100124.3 Ų124.338%0.37767%0.667SS.*THydrogen-bonded Turntrans-66.9-25.7-175.6-57.4-179.779.392.30.2113I421 D423 Y429 L431I421-R426 HydrophobicContact CG2-CG 4.4Å; I421-R426 PolarHBondContact O-NH1 3.44Å; D423-R426 PolarHBondContact O-N 3.12Å; D423-R426 WeakPolarHBondContact OD1-CD 3.36Å; D423-R426 IonicContact OD1-NE 3.84Å; R426-Y429 PolarHBondContact O-N 3.02Å; R426-L431 PolarHBondContact O-N 2.84Å
427S53.2Low47.9Very low94 Ų94129.8 Ų129.866%0.65767%0.668SS**THydrogen-bonded Turntrans-62.5-41.2178.5-44.80000113L425 Y429 G430L425-S427 PolarHBondContact O-N 3.23Å; S427-Y429 VanDerWaalsContact C-N 3.26Å; S427-Y429 PolarHBondContact O-N 3.14Å; S427-G430 PolarHBondContact O-N 3.46Å; S427-G430 VanDerWaalsContact O-N 3.1Å
428E52.6Low47.1Very low162 Ų162127.3 Ų127.376%0.75767%0.668SS**THydrogen-bonded Turntrans-71.4-24.1-175.7-61.1-171.9146.100112.3L425L425-E428 PolarHBondContact O-N 2.64Å
429Y51.3Low46.9Very low174 Ų174126.2 Ų126.268%0.68267%0.673SS**THydrogen-bonded Turntrans-92.39.8173.4-67.4-89.3000113.4R426 S427R426-Y429 PolarHBondContact O-N 3.02Å; S427-Y429 VanDerWaalsContact C-N 3.26Å; S427-Y429 PolarHBondContact O-N 3.14Å
430G52.6Low46.4Very low63 Ų63125.5 Ų125.565%0.64968%0.676SS**THydrogen-bonded Turntrans75.124.916700000116.4S427S427-G430 PolarHBondContact O-N 3.46Å; S427-G430 VanDerWaalsContact O-N 3.1Å
431L50.2Low46.3Very low121 Ų121124.9 Ų124.963%0.63468%0.681SS**  trans-114.186.4-178.6-67.4176.6000112.5R426R426-L431 PolarHBondContact O-N 2.84Å
432E43.4Very low45.9Very low189 Ų189130.8 Ų130.888%0.88370%0.699SS**  trans-72.1147.5171.2-68.2-169.415200112.7
433A45.3Very low45.8Very low100 Ų100130.6 Ų130.683%0.82671%0.706SS**  trans-109.7132.2176.200000111.4
434T34.5Very low45.5Very low138 Ų138131.8 Ų131.885%0.84771%0.712SS**  trans-135137.217239.80000111.8
435L37.2Very low45.6Very low161 Ų161135 Ų13584%0.84372%0.718SS**  trans-96.5143.5175.5-84.1163.3000111.3
436E44.2Very low45.7Very low163 Ų163136.1 Ų136.176%0.76273%0.728SS**  trans35.699.7152.2-59-173.3-175.600119.9
437K37.6Very low45.5Very low192 Ų192140.5 Ų140.584%0.83574%0.744SS**  -175.6175.7110.2-101.3158.3-172.81650115.4
438D33.3Very low45.4Very low141 Ų141143.1 Ų143.175%0.75475%0.748SS**  trans62.691.1166.5-64.60.6000119A440D438-A440 PolarHBondContact O-N 2.85Å
439T42.4Very low45.4Very low141 Ų141144.6 Ų144.687%0.86575%0.746SS**  trans-80.9-4.9-178.846.10000115.5
440A45.9Very low45.5Very low92 Ų92142.7 Ų142.776%0.7674%0.742SS**SBendtrans-74.4-37.1-169.900000114.9D438D438-A440 PolarHBondContact O-N 2.85Å
441V46.8Very low45.7Very low118 Ų118143.8 Ų143.872%0.71573%0.733SS**THydrogen-bonded Turntrans-83.5-20.5-167-174.80000113.2G443V441-G443 PolarHBondContact O-N 3.38Å
442R42.8Very low46.1Very low206 Ų206144.8 Ų144.878%0.77773%0.734SS**Hα-helixtrans-65.9-23.5-175-150.7171.8-171.3170.33.3113.3L444 T446R442-L444 PolarHBondContact O-N 3.14Å; R442-T446 PolarHBondContact O-N 3.12Å; R442-T446 PolarHBondContact O-OG1 3.2Å; R442-T446 VanDerWaalsContact O-OG1 3.05Å
443G46.8Very low47Very low50 Ų50140.6 Ų140.652%0.51572%0.715SS.*Hα-helixtrans-65.4-32.1-172.200000116.2V441V441-G443 PolarHBondContact O-N 3.38Å
444L45.9Very low47.7Very low146 Ų146136.7 Ų136.776%0.76468%0.682SS**Hα-helixtrans-78.1-47.4-179.6-105.671.2000112.5R442 T446 R447R442-L444 PolarHBondContact O-N 3.14Å; L444-T446 VanDerWaalsContact C-N 3.33Å; L444-T446 PolarHBondContact O-N 3.22Å; L444-R447 WeakPolarHBondContact O-CB 3.43Å; L444-R447 PolarHBondContact O-N 2.94Å
445R49.8Very low49.1Very low216 Ų216135 Ų13582%0.81568%0.676SS**Hα-helixtrans-64.6-34.6-176.2-74.2-175.2171.2-177.1-3.2112.9R447R445-R447 PolarHBondContact O-N 3.41Å
446T49.9Very low50.7Low91 Ų91130.9 Ų130.956%0.55866%0.655SS**Hα-helixtrans-70.4-16.6175.4-48.80000113.1R442 L444R442-T446 PolarHBondContact O-N 3.12Å; R442-T446 PolarHBondContact O-OG1 3.2Å; R442-T446 VanDerWaalsContact O-OG1 3.05Å; L444-T446 VanDerWaalsContact C-N 3.33Å; L444-T446 PolarHBondContact O-N 3.22Å
447R50Low51.5Low192 Ų192128 Ų12873%0.72565%0.65SS**Hα-helixtrans-81.5-51179.7-136.4174.2-174.2169.31111.7L444 R445 R449 K450L444-R447 WeakPolarHBondContact O-CB 3.43Å; L444-R447 PolarHBondContact O-N 2.94Å; R445-R447 PolarHBondContact O-N 3.41Å; R447-R449 PolarHBondContact O-N 2.8Å; R447-K450 PolarHBondContact O-N 3.3Å; R447-K450 VanDerWaalsContact O-N 3.13Å
448M49.9Very low52.7Low149 Ų149124.1 Ų124.173%0.73464%0.643SS**Hα-helixtrans-62.1-44.3-176.3-64.4-164.372.400113.1K450 D451 E452M448-K450 PolarHBondContact O-N 3.07Å; M448-K450 VanDerWaalsContact O-N 3.07Å; M448-D451 PolarHBondContact O-N 2.99Å; M448-D451 VanDerWaalsContact O-N 3.11Å; M448-E452 PolarHBondContact O-N 3.12Å
449R53.8Low54.8Low193 Ų193118.2 Ų118.273%0.72861%0.612SS**Hα-helixtrans-54.9-30.7176.7-116.3-168.4-178.5-155.4-0.1113.3R447 E453R447-R449 PolarHBondContact O-N 2.8Å; R449-E453 WeakPolarHBondContact O-CB 3.26Å; R449-E453 WeakPolarHBondContact O-CG 3.41Å; R449-E453 PolarHBondContact O-N 3.35Å
450K53.3Low56Low135 Ų135114.6 Ų114.659%0.58760%0.597SS**Hα-helixtrans-84.4-13.9-174.8-160.4165.3-170.9167.40114R447 M448R447-K450 PolarHBondContact O-N 3.3Å; R447-K450 VanDerWaalsContact O-N 3.13Å; M448-K450 PolarHBondContact O-N 3.07Å; M448-K450 VanDerWaalsContact O-N 3.07Å
451D56.8Low57.3Low85 Ų85111 Ų11146%0.45557%0.567SS.*Hα-helixtrans-93.3-30.1170.1-75.8-57.1000111.5M448 A454 S455 R465M448-D451 PolarHBondContact O-N 2.99Å; M448-D451 VanDerWaalsContact O-N 3.11Å; D451-A454 PolarHBondContact O-N 3.05Å; D451-S455 PolarHBondContact O-OG 3.47Å; D451-R465 IonicContact OD1-CZ 2.7Å; D451-R465 IonicContact OD1-NH1 2.63Å; D451-R465 IonicContact OD1-NH2 2.78Å; D451-R465 PolarHBondContact OD1-NH2 3.43Å
452E58.4Low58.6Low142 Ų142106.1 Ų106.166%0.66454%0.539SS*.Hα-helixtrans-63.7-50.5165.5-69.3-179.212000111.3M448 A454 S455M448-E452 PolarHBondContact O-N 3.12Å; E452-A454 PolarHBondContact O-N 2.96Å; E452-S455 WeakPolarHBondContact O-CB 3.46Å; E452-S455 PolarHBondContact O-N 2.95Å
453E61.4Low59.9Low102 Ų102101.5 Ų101.548%0.47753%0.526SS..THydrogen-bonded Turntrans-55.2-24.9173.5-86.6-174.4126.900113.5R449 S455 S459 A461R449-E453 WeakPolarHBondContact O-CB 3.26Å; R449-E453 WeakPolarHBondContact O-CG 3.41Å; R449-E453 PolarHBondContact O-N 3.35Å; E453-S455 VanDerWaalsContact C-N 3.3Å; E453-S459 WeakPolarHBondContact O-CB 3.42Å; E453-S459 PolarHBondContact O-OG 3.26Å; E453-A461 HydrophobicContact CB-CB 3.86Å
454A61.8Low61Low17 Ų17104.7 Ų104.714%0.1453%0.531CS..THydrogen-bonded Turntrans-85.3-2.4179.800000113.8D451 E452 A461D451-A454 PolarHBondContact O-N 3.05Å; E452-A454 PolarHBondContact O-N 2.96Å; A454-A461 HydrophobicContact CB-CB 4.46Å
455S64.1Low62.2Low102 Ų102103.6 Ų103.671%0.71352%0.517SS*.THydrogen-bonded Turntrans-98.6-16.3177.9-55.60000113.1D451 E452 E453D451-S455 PolarHBondContact O-OG 3.47Å; E452-S455 WeakPolarHBondContact O-CB 3.46Å; E452-S455 PolarHBondContact O-N 2.95Å; E453-S455 VanDerWaalsContact C-N 3.3Å
456D70.3Confident63.1Low76 Ų76101.4 Ų101.441%0.40651%0.509SS..SBendtrans-82.1119.9172178.1-18000109.9T458 S459 A462D456-T458 PolarHBondContact O-N 3.05Å; D456-T458 WeakPolarHBondContact OD1-CA 3.35Å; D456-T458 VanDerWaalsContact OD1-CB 3.31Å; D456-T458 WeakPolarHBondContact OD1-CB 3.47Å; D456-T458 PolarHBondContact OD1-N 2.93Å; D456-T458 PolarHBondContact OD1-OG1 3.13Å; D456-S459 WeakPolarHBondContact O-CB 3.43Å; D456-S459 PolarHBondContact O-N 3.16Å; D456-A462 WeakPolarHBondContact O-CB 3.23Å
457P60Low63.7Low103 Ų103102.4 Ų102.467%0.66951%0.51SS*.THydrogen-bonded Turntrans-66.5-16.7-177.529.6-36.7000114.2
458T62.7Low64.5Low110 Ų110102.7 Ų102.768%0.67551%0.511SS*.THydrogen-bonded Turntrans-92.8-16.4-179.2-4.40000112.7D456D456-T458 PolarHBondContact O-N 3.05Å; D456-T458 WeakPolarHBondContact OD1-CA 3.35Å; D456-T458 VanDerWaalsContact OD1-CB 3.31Å; D456-T458 WeakPolarHBondContact OD1-CB 3.47Å; D456-T458 PolarHBondContact OD1-N 2.93Å; D456-T458 PolarHBondContact OD1-OG1 3.13Å
459S78.2Confident65.2Low16 Ų16102.8 Ų102.811%0.11251%0.51CS..SBendtrans-71.3142.9-177.2167.60000113.4E453 D456 A461 A462 Q463E453-S459 WeakPolarHBondContact O-CB 3.42Å; E453-S459 PolarHBondContact O-OG 3.26Å; D456-S459 WeakPolarHBondContact O-CB 3.43Å; D456-S459 PolarHBondContact O-N 3.16Å; S459-A461 PolarHBondContact O-N 2.57Å; S459-A461 VanDerWaalsContact O-N 3.16Å; S459-A461 PolarHBondContact OG-N 2.89Å; S459-A461 VanDerWaalsContact OG-N 3.14Å; S459-A462 PolarHBondContact O-N 2.94Å; S459-Q463 PolarHBondContact O-N 2.8Å
460A66.4Low65.3Low65 Ų65101.2 Ų101.254%0.53751%0.51SS..Hα-helixtrans-56.1-29.8172.600000112.8L464A460-L464 WeakPolarHBondContact O-CB 3.31Å; A460-L464 VanDerWaalsContact O-CG 3.25Å; A460-L464 WeakPolarHBondContact O-CG 3.41Å; A460-L464 PolarHBondContact O-N 3.04Å
461A73.6Confident65.2Low18 Ų18100.5 Ų100.515%0.14951%0.512CS..Hα-helixtrans-68.8-37.5176.400000112.5E453 A454 S459 R465E453-A461 HydrophobicContact CB-CB 3.86Å; A454-A461 HydrophobicContact CB-CB 4.46Å; S459-A461 PolarHBondContact O-N 2.57Å; S459-A461 VanDerWaalsContact O-N 3.16Å; S459-A461 PolarHBondContact OG-N 2.89Å; S459-A461 VanDerWaalsContact OG-N 3.14Å; A461-R465 PolarHBondContact O-N 2.75Å
462A74.3Confident64.9Low15 Ų15101.6 Ų101.612%0.12452%0.524CS..Hα-helixtrans-74.2-40.7175.900000111.8D456 S459 L464 R465 R466D456-A462 WeakPolarHBondContact O-CB 3.23Å; S459-A462 PolarHBondContact O-N 2.94Å; A462-L464 VanDerWaalsContact C-N 3.32Å; A462-L464 PolarHBondContact O-N 3.36Å; A462-R465 PolarHBondContact O-N 3.21Å; A462-R465 VanDerWaalsContact O-N 3.08Å; A462-R466 PolarHBondContact O-N 3.1Å
463Q70.8Confident64.7Low108 Ų108100.3 Ų100.351%0.50553%0.528SS..Hα-helixtrans-58.4-43.5172.8-66.9-177.83.100111.6S459 R465 R466 L467S459-Q463 PolarHBondContact O-N 2.8Å; Q463-R465 VanDerWaalsContact C-N 3.31Å; Q463-R465 PolarHBondContact O-N 3.39Å; Q463-R466 PolarHBondContact O-N 2.92Å; Q463-L467 WeakPolarHBondContact O-CB 3.39Å; Q463-L467 WeakPolarHBondContact O-CG 3.43Å; Q463-L467 PolarHBondContact O-N 3.29Å
464L68.6Low63.7Low118 Ų118101.3 Ų101.362%0.61854%0.543SS*.Hα-helixtrans-66.1-26.8174.8-75.2169.9000113.8A460 A462 R468A460-L464 WeakPolarHBondContact O-CB 3.31Å; A460-L464 VanDerWaalsContact O-CG 3.25Å; A460-L464 WeakPolarHBondContact O-CG 3.41Å; A460-L464 PolarHBondContact O-N 3.04Å; A462-L464 VanDerWaalsContact C-N 3.32Å; A462-L464 PolarHBondContact O-N 3.36Å; L464-R468 WeakPolarHBondContact O-CB 3.49Å; L464-R468 PolarHBondContact O-N 3.44Å
465R71.8Confident62.5Low123 Ų123105.6 Ų105.646%0.46457%0.572SS.*Hα-helixtrans-71.1-49.1170.6-75.7-171.6-177.1-176.12.4111.4D451 A461 A462 Q463 L467 R468 E469D451-R465 IonicContact OD1-CZ 2.7Å; D451-R465 IonicContact OD1-NH1 2.63Å; D451-R465 IonicContact OD1-NH2 2.78Å; D451-R465 PolarHBondContact OD1-NH2 3.43Å; A461-R465 PolarHBondContact O-N 2.75Å; A462-R465 PolarHBondContact O-N 3.21Å; A462-R465 VanDerWaalsContact O-N 3.08Å; Q463-R465 VanDerWaalsContact C-N 3.31Å; Q463-R465 PolarHBondContact O-N 3.39Å; R465-L467 PolarHBondContact O-N 2.84Å; R465-R468 WeakPolarHBondContact O-CA 3.32Å; R465-R468 WeakPolarHBondContact O-CB 3.37Å; R465-R468 PolarHBondContact O-N 3.21Å; R465-E469 PolarHBondContact O-N 3.02Å
466R68.4Low61.7Low170 Ų170107 Ų10764%0.64258%0.582SS**Hα-helixtrans-56.8-46175.5-80.6-178.2163179.8-5112.6A462 Q463 R468 E469 H470A462-R466 PolarHBondContact O-N 3.1Å; Q463-R466 PolarHBondContact O-N 2.92Å; R466-R468 PolarHBondContact O-N 3.43Å; R466-E469 PolarHBondContact O-N 3.44Å; R466-H470 PolarHBondContact O-CD2 3.31Å; R466-H470 PolarHBondContact O-N 2.87Å
467L62.7Low60.2Low112 Ų112106.7 Ų106.759%0.58659%0.59SS**Hα-helixtrans-60-32.7175.5-74.7167.4000112.4Q463 R465 L471Q463-L467 WeakPolarHBondContact O-CB 3.39Å; Q463-L467 WeakPolarHBondContact O-CG 3.43Å; Q463-L467 PolarHBondContact O-N 3.29Å; R465-L467 PolarHBondContact O-N 2.84Å; L467-L471 WeakPolarHBondContact O-CG 3.29Å; L467-L471 PolarHBondContact O-N 3.15Å
468R66.7Low59.3Low198 Ų198107.1 Ų107.175%0.74760%0.595SS**Hα-helixtrans-76.6-29.2177.3-170.5174.2-175.1164.12.9113.5L464 R465 R466 H470 L471L464-R468 WeakPolarHBondContact O-CB 3.49Å; L464-R468 PolarHBondContact O-N 3.44Å; R465-R468 WeakPolarHBondContact O-CA 3.32Å; R465-R468 WeakPolarHBondContact O-CB 3.37Å; R465-R468 PolarHBondContact O-N 3.21Å; R466-R468 PolarHBondContact O-N 3.43Å; R468-H470 VanDerWaalsContact C-N 3.34Å; R468-L471 PolarHBondContact O-N 2.86Å
469E64.2Low58.4Low151 Ų151106.8 Ų106.871%0.70660%0.595SS**Hα-helixtrans-73.4-27.1174.8-71.3168.8175.200112.4R465 R466R465-E469 PolarHBondContact O-N 3.02Å; R466-E469 PolarHBondContact O-N 3.44Å
470H57.7Low56.6Low159 Ų159111.6 Ų111.674%0.73663%0.626SS**SBendtrans-85.1-6172.9-67.9-57.4000114.6R466 R468R466-H470 PolarHBondContact O-CD2 3.31Å; R466-H470 PolarHBondContact O-N 2.87Å; R468-H470 VanDerWaalsContact C-N 3.34Å
471L51.1Low55.7Low120 Ų120120.3 Ų120.363%0.62865%0.645SS**SBendtrans-83.4132170.1-74.4170.6000110.1L467 R468L467-L471 WeakPolarHBondContact O-CG 3.29Å; L467-L471 PolarHBondContact O-N 3.15Å; R468-L471 PolarHBondContact O-N 2.86Å
472P49.8Very low54.7Low108 Ų108125.3 Ų125.370%0.70167%0.674SS**PPolyproline II helixtrans-61.1142.6172.727-33.9000109.8
473P53.7Low53.8Low115 Ų115132.2 Ų132.275%0.74771%0.708SS**PPolyproline II helixtrans-59.5139.1-178.224.5-34000110.3S475P473-S475 PolarHBondContact O-N 3.29Å; P473-S475 VanDerWaalsContact O-N 3.16Å
474P41.3Very low52.9Low124 Ų124130.2 Ų130.281%0.80570%0.704SS**PPolyproline II helixtrans-59.7124.3-178.624.9-33.9000109.4S476P474-S476 PolarHBondContact O-N 2.81Å
475S36.3Very low52.4Low107 Ų107131 Ų13175%0.74871%0.705SS**  trans-61.3111.9-177.7-169.20000109.8P473 A477P473-S475 PolarHBondContact O-N 3.29Å; P473-S475 VanDerWaalsContact O-N 3.16Å; S475-A477 PolarHBondContact O-N 3.15Å; S475-A477 WeakPolarHBondContact OG-CB 3.36Å
476S47.4Very low52Low130 Ų130130 Ų13091%0.90971%0.714SS**  trans-74.655.8176.6-173.70000110.8P474P474-S476 PolarHBondContact O-N 2.81Å
477A39.7Very low51.6Low71 Ų71128.9 Ų128.959%0.58772%0.716SS**  trans-129.428.9-171.200000112.2S475 P479S475-A477 PolarHBondContact O-N 3.15Å; S475-A477 WeakPolarHBondContact OG-CB 3.36Å; A477-P479 WeakPolarHBondContact O-CD 3.38Å
478S39.3Very low51.7Low111 Ų111128.7 Ų128.778%0.77671%0.712SS**PPolyproline II helixtrans-69.2117.6146.7-68.40000106.9
479P44.4Very low51.8Low103 Ų103121.4 Ų121.467%0.66969%0.694SS**PPolyproline II helixtrans-58.9149.5164.228-33.8000108.3A477 R481A477-P479 WeakPolarHBondContact O-CD 3.38Å; P479-R481 PolarHBondContact O-N 2.89Å
480P41.1Very low52.2Low118 Ų118120.8 Ų120.877%0.76669%0.691SS**PPolyproline II helixtrans-55.9127.8177.824.2-33.5000109V482P480-V482 VanDerWaalsContact C-N 3.27Å; P480-V482 PolarHBondContact O-N 2.87Å
481R46.8Very low53.2Low247 Ų247119.7 Ų119.793%0.93268%0.684SS**  trans-65.893.2171.1-86.9-170.9174.7179.31.1108.3P479 L483P479-R481 PolarHBondContact O-N 2.89Å; R481-L483 PolarHBondContact O-N 3.26Å
482V52.4Low54.4Low124 Ų124117.3 Ų117.375%0.75267%0.672SS**PPolyproline II helixtrans-49.6129.3158.6-179.60000106.9P480 P484P480-V482 VanDerWaalsContact C-N 3.27Å; P480-V482 PolarHBondContact O-N 2.87Å; V482-P484 WeakPolarHBondContact O-CD 3.48Å
483L54.9Low55.8Low160 Ų160114.7 Ų114.784%0.83866%0.659SS**PPolyproline II helixtrans-62.3116.4173-75164.2000107.3R481R481-L483 PolarHBondContact O-N 3.26Å
484P53.8Low57.2Low65 Ų65112.2 Ų112.242%0.42265%0.649SS.*PPolyproline II helixtrans-63.4140.4-178.526.6-33.7000109.3V482 E488V482-P484 WeakPolarHBondContact O-CD 3.48Å; P484-E488 HydrophobicContact CB-CB 4.14Å
485E58.2Low59Low136 Ų136112.1 Ų112.164%0.63664%0.638SS**PPolyproline II helixtrans-58.2152.4179.3-70.3-164.2132.900110.9Q487 E488 A489E485-Q487 PolarHBondContact O-N 2.94Å; E485-E488 PolarHBondContact O-N 3.41Å; E485-A489 PolarHBondContact O-N 3.47Å
486P62.2Low61.1Low101 Ų101115.3 Ų115.366%0.65663%0.633SS**Hα-helixtrans-52.5-30.8-176.3-29.936.4000114.5Q490P486-Q490 WeakPolarHBondContact O-CB 3.39Å; P486-Q490 VanDerWaalsContact O-CG 3.28Å; P486-Q490 WeakPolarHBondContact O-CG 3.41Å; P486-Q490 PolarHBondContact O-N 2.97Å
487Q59.3Low62.6Low146 Ų146113.4 Ų113.468%0.68263%0.625SS**Hα-helixtrans-72.6-36.7175.7-63.2-169.85.500113.4E485 Q490 K491E485-Q487 PolarHBondContact O-N 2.94Å; Q487-Q490 PolarHBondContact O-N 2.97Å; Q487-K491 PolarHBondContact O-N 3.45Å
488E64.9Low64.7Low109 Ų109120.9 Ų120.951%0.50964%0.638SS.*Hα-helixtrans-72.1-39.5173.8-64.7-159.4132.400111.2P484 E485 Q490 K491 L492P484-E488 HydrophobicContact CB-CB 4.14Å; E485-E488 PolarHBondContact O-N 3.41Å; E488-Q490 VanDerWaalsContact C-N 3.3Å; E488-Q490 PolarHBondContact O-N 3.44Å; E488-K491 PolarHBondContact O-N 2.99Å; E488-L492 WeakPolarHBondContact O-CB 3.28Å; E488-L492 VanDerWaalsContact O-CG 3.29Å; E488-L492 WeakPolarHBondContact O-CG 3.39Å; E488-L492 PolarHBondContact O-N 3.11Å
489A69Low66.6Low45 Ų45118 Ų11837%0.37262%0.621SS.*Hα-helixtrans-58.3-42.1171.400000111.6E485 A493E485-A489 PolarHBondContact O-N 3.47Å; A489-A493 VanDerWaalsContact O-CB 3.32Å; A489-A493 WeakPolarHBondContact O-CB 3.22Å; A489-A493 PolarHBondContact O-N 3.01Å
490Q73.6Confident68.2Low137 Ų137118.4 Ų118.464%0.6462%0.624SS**Hα-helixtrans-66.9-42.1174.1-78.1177.5200113.2P486 Q487 E488 A493 A494P486-Q490 WeakPolarHBondContact O-CB 3.39Å; P486-Q490 VanDerWaalsContact O-CG 3.28Å; P486-Q490 WeakPolarHBondContact O-CG 3.41Å; P486-Q490 PolarHBondContact O-N 2.97Å; Q487-Q490 PolarHBondContact O-N 2.97Å; E488-Q490 VanDerWaalsContact C-N 3.3Å; E488-Q490 PolarHBondContact O-N 3.44Å; Q490-A493 PolarHBondContact O-N 2.63Å; Q490-A494 WeakPolarHBondContact O-CB 3.38Å; Q490-A494 PolarHBondContact O-N 2.66Å
491K77.4Confident70Confident137 Ų137119.8 Ų119.860%0.59663%0.63SS**Hα-helixtrans-58.5-50.7172.6-80.2178.2179170.70111.3Q487 E488 A493 A494 E495Q487-K491 PolarHBondContact O-N 3.45Å; E488-K491 PolarHBondContact O-N 2.99Å; K491-A493 PolarHBondContact O-N 3.17Å; K491-A494 PolarHBondContact O-N 3.03Å; K491-A494 VanDerWaalsContact O-N 3.15Å; K491-E495 WeakPolarHBondContact O-CB 3.28Å; K491-E495 WeakPolarHBondContact O-CG 3.29Å; K491-E495 PolarHBondContact O-N 3.23Å
492L76.2Confident71.4Confident69 Ų69111.4 Ų111.436%0.36161%0.606SS.*Hα-helixtrans-65.7-24.6178.7-67.8169.5000112.7E488 R496E488-L492 WeakPolarHBondContact O-CB 3.28Å; E488-L492 VanDerWaalsContact O-CG 3.29Å; E488-L492 WeakPolarHBondContact O-CG 3.39Å; E488-L492 PolarHBondContact O-N 3.11Å; L492-R496 WeakPolarHBondContact O-CB 3.35Å; L492-R496 WeakPolarHBondContact O-CG 3.32Å; L492-R496 PolarHBondContact O-N 3.09Å; L492-R496 VanDerWaalsContact O-N 3.15Å; L492-R496 PolarHBondContact O-NH1 3.45Å
493A79.3Confident72.7Confident53 Ų53110.1 Ų110.144%0.43860%0.6SS.*Hα-helixtrans-75-44.6170.800000111.7A489 Q490 K491 R496 A497A489-A493 VanDerWaalsContact O-CB 3.32Å; A489-A493 WeakPolarHBondContact O-CB 3.22Å; A489-A493 PolarHBondContact O-N 3.01Å; Q490-A493 PolarHBondContact O-N 2.63Å; K491-A493 PolarHBondContact O-N 3.17Å; A493-R496 PolarHBondContact O-N 3.46Å; A493-A497 WeakPolarHBondContact O-CB 3.47Å; A493-A497 PolarHBondContact O-N 2.66Å
494A82.9Confident73.9Confident64 Ų64110.6 Ų110.653%0.52959%0.592SS.*Hα-helixtrans-64.8-37.5175.600000112.4Q490 K491 A497 R498Q490-A494 WeakPolarHBondContact O-CB 3.38Å; Q490-A494 PolarHBondContact O-N 2.66Å; K491-A494 PolarHBondContact O-N 3.03Å; K491-A494 VanDerWaalsContact O-N 3.15Å; A494-A497 PolarHBondContact O-N 2.89Å; A494-R498 VanDerWaalsContact O-CB 3.32Å; A494-R498 WeakPolarHBondContact O-CB 3.43Å; A494-R498 PolarHBondContact O-N 3.32Å
495E80.3Confident75.2Confident122 Ų122108.4 Ų108.457%0.5758%0.581SS**Hα-helixtrans-66.7-42.5173.3-73.8174.8172.500111.6K491 R498 A499K491-E495 WeakPolarHBondContact O-CB 3.28Å; K491-E495 WeakPolarHBondContact O-CG 3.29Å; K491-E495 PolarHBondContact O-N 3.23Å; E495-R498 CarbonylContact O-C 3.56Å; E495-R498 PolarHBondContact O-N 3Å; E495-A499 WeakPolarHBondContact O-CB 3.4Å; E495-A499 PolarHBondContact O-N 3.47Å
496R79.3Confident76.2Confident173 Ų173105.9 Ų105.965%0.65358%0.575SS**Hα-helixtrans-64.1-38.1172.6-77.2176.4-171.5109.30.1112.9L492 A493 R498 A499L492-R496 WeakPolarHBondContact O-CB 3.35Å; L492-R496 WeakPolarHBondContact O-CG 3.32Å; L492-R496 PolarHBondContact O-N 3.09Å; L492-R496 VanDerWaalsContact O-N 3.15Å; L492-R496 PolarHBondContact O-NH1 3.45Å; A493-R496 PolarHBondContact O-N 3.46Å; R496-R498 VanDerWaalsContact C-N 3.25Å; R496-R498 PolarHBondContact O-N 3.38Å; R496-A499 PolarHBondContact O-N 3Å
497A80.3Confident76.9Confident91 Ų91102 Ų10275%0.75255%0.549SS*.Hα-helixtrans-69.7-22.4175.400000113.1A493 A494A493-A497 WeakPolarHBondContact O-CB 3.47Å; A493-A497 PolarHBondContact O-N 2.66Å; A494-A497 PolarHBondContact O-N 2.89Å
498R82.8Confident78Confident227 Ų22798.1 Ų98.186%0.85753%0.532SS*.Hα-helixtrans-94.2-20.4176-168.4175.8-175-176.63.6113.4A494 E495 R496A494-R498 VanDerWaalsContact O-CB 3.32Å; A494-R498 WeakPolarHBondContact O-CB 3.43Å; A494-R498 PolarHBondContact O-N 3.32Å; E495-R498 CarbonylContact O-C 3.56Å; E495-R498 PolarHBondContact O-N 3Å; R496-R498 VanDerWaalsContact C-N 3.25Å; R496-R498 PolarHBondContact O-N 3.38Å
499A79.8Confident78.8Confident51 Ų5197.3 Ų97.342%0.42153%0.528SS..SBendtrans-67.9136.9177.900000110.5E495 R496 V501E495-A499 WeakPolarHBondContact O-CB 3.4Å; E495-A499 PolarHBondContact O-N 3.47Å; R496-A499 PolarHBondContact O-N 3Å; A499-V501 PolarHBondContact O-N 2.93Å
500P76.9Confident79.2Confident112 Ų11298.3 Ų98.373%0.72752%0.523SS*.PPolyproline II helixtrans-64.9125.8174.127.3-33.1000109.6V502P500-V502 HydrophobicContact CB-CG2 4.45Å; P500-V502 PolarHBondContact O-N 3.07Å
501V79.8Confident79.4Confident146 Ų146100.9 Ų100.989%0.88553%0.527SS*.PPolyproline II helixtrans-73.3116.6171.6-179.20000108.1A499A499-V501 PolarHBondContact O-N 2.93Å
502V75.9Confident79.2Confident72 Ų7298.4 Ų98.444%0.43654%0.54SS..  trans-114.8124.8-175.81730000108P500 L508P500-V502 HydrophobicContact CB-CG2 4.45Å; P500-V502 PolarHBondContact O-N 3.07Å; V502-L508 HydrophobicContact CG1-CD1 4.33Å
503P80Confident79.2Confident96 Ų96100.9 Ų100.962%0.62355%0.55SS*.  trans-65.6147.6-178.225.9-33.3000111.1R552P503-R552 PolarHBondContact O-NH1 3.48Å; P503-R552 PolarHBondContact O-NH2 2.9Å
504Y80.9Confident78.6Confident171 Ų171107.7 Ų107.767%0.67157%0.572SS**  trans-57.6144.1177.1-171.8-99.3000111.1L508 H509Y504-L508 HydrophobicContact CD2-CB 4.35Å; Y504-L508 HydrophobicContact CE2-CB 4.39Å; Y504-H509 WeakPolarHBondContact OH-CA 3.32Å; Y504-H509 VanDerWaalsContact OH-CB 3.29Å; Y504-H509 WeakPolarHBondContact OH-CB 3.48Å; Y504-H509 PolarHBondContact OH-ND1 2.9Å
505G79.4Confident77.6Confident19 Ų19106.9 Ų106.920%0.19656%0.559CS.*  trans-159.7169-174.800000111.3D507 L508 H509G505-D507 PolarHBondContact O-N 3.48Å; G505-L508 WeakPolarHBondContact O-CA 3.39Å; G505-L508 WeakPolarHBondContact O-CB 3.49Å; G505-L508 PolarHBondContact O-N 3.28Å; G505-H509 PolarHBondContact O-N 3.31Å
506V79.6Confident76.8Confident82 Ų82104.6 Ų104.650%0.49756%0.555SS.*Hα-helixtrans-64.1-32.4-176.1-1700000111.7L508 H509 Y510 L549V506-L508 VanDerWaalsContact C-N 3.28Å; V506-L508 PolarHBondContact O-N 3.45Å; V506-H509 WeakPolarHBondContact O-CB 3.41Å; V506-H509 PolarHBondContact O-N 3.31Å; V506-Y510 HydrophobicContact CG1-CD2 3.9Å; V506-Y510 HydrophobicContact CG1-CE2 3.59Å; V506-Y510 WeakPolarHBondContact O-CD2 3.38Å; V506-Y510 PolarHBondContact O-N 3.35Å; V506-L549 HydrophobicContact CG1-CD2 3.6Å
507D78.3Confident75.8Confident20 Ų20101.7 Ų101.711%0.10756%0.557CS.*Hα-helixtrans-60.9-31.617166.5-37.6000113.6G505 R552G505-D507 PolarHBondContact O-N 3.48Å; D507-R552 IonicContact OD1-CZ 2.82Å; D507-R552 IonicContact OD1-NE 3.73Å; D507-R552 IonicContact OD1-NH2 2.83Å; D507-R552 PolarHBondContact OD1-NH2 3.15Å; D507-R552 IonicContact OD2-CZ 2.72Å; D507-R552 IonicContact OD2-NE 3.96Å; D507-R552 PolarHBondContact OD2-NE 2.93Å; D507-R552 IonicContact OD2-NH2 3.52Å; D507-R552 PolarHBondContact OD2-NH2 2.96Å; D507-R552 VanDerWaalsContact OD2-NH2 3.16Å
508L82.3Confident74.8Confident65 Ų6597.7 Ų97.734%0.3452%0.523SS..Hα-helixtrans-85.3-27.1173.9-69.8176.1000112.7V502 Y504 G505 V506 W511V502-L508 HydrophobicContact CG1-CD1 4.33Å; Y504-L508 HydrophobicContact CD2-CB 4.35Å; Y504-L508 HydrophobicContact CE2-CB 4.39Å; G505-L508 WeakPolarHBondContact O-CA 3.39Å; G505-L508 WeakPolarHBondContact O-CB 3.49Å; G505-L508 PolarHBondContact O-N 3.28Å; V506-L508 VanDerWaalsContact C-N 3.28Å; V506-L508 PolarHBondContact O-N 3.45Å; L508-W511 HydrophobicContact CD2-CE3 4.44Å; L508-W511 WeakPolarHBondContact O-CB 3.39Å; L508-W511 PolarHBondContact O-N 3.22Å
509H80.9Confident73.7Confident92 Ų9289.2 Ų89.243%0.42651%0.507SS..Hα-helixtrans-63.2-45.3178.6-175.943.3000112.1Y504 G505 V506 W511 Q513Y504-H509 WeakPolarHBondContact OH-CA 3.32Å; Y504-H509 VanDerWaalsContact OH-CB 3.29Å; Y504-H509 WeakPolarHBondContact OH-CB 3.48Å; Y504-H509 PolarHBondContact OH-ND1 2.9Å; G505-H509 PolarHBondContact O-N 3.31Å; V506-H509 WeakPolarHBondContact O-CB 3.41Å; V506-H509 PolarHBondContact O-N 3.31Å; H509-W511 VanDerWaalsContact C-N 3.34Å; H509-Q513 PolarHBondContact O-NE2 3.48Å; H509-Q513 VanDerWaalsContact O-NE2 3.09Å
510Y76.8Confident72.7Confident66 Ų6692.8 Ų92.826%0.25951%0.513SS..THydrogen-bonded Turntrans-92.512.9178.3-57.8-67000113.6V506 G512 Q513 L515 P516 L549V506-Y510 HydrophobicContact CG1-CD2 3.9Å; V506-Y510 HydrophobicContact CG1-CE2 3.59Å; V506-Y510 WeakPolarHBondContact O-CD2 3.38Å; V506-Y510 PolarHBondContact O-N 3.35Å; Y510-G512 PolarHBondContact O-N 2.87Å; Y510-G512 VanDerWaalsContact O-N 3.13Å; Y510-Q513 PolarHBondContact O-N 2.86Å; Y510-L515 VanDerWaalsContact CB-CD2 3.43Å; Y510-L515 HydrophobicContact CD1-CD2 4.4Å; Y510-L515 HydrophobicContact CD2-CD2 3.75Å; Y510-L515 HydrophobicContact CG-CD2 3.61Å; Y510-P516 HydrophobicContact CE1-CG 4.29Å; Y510-L549 HydrophobicContact CD2-CD2 4.13Å; Y510-L549 HydrophobicContact CE2-CD2 3.88Å
511W77.8Confident71.7Confident191 Ų19191.4 Ų91.472%0.72350%0.498SS*.THydrogen-bonded Turntrans-63.3116.8-172.7-173.8-89.6000112.4L508 H509 Q513L508-W511 HydrophobicContact CD2-CE3 4.44Å; L508-W511 WeakPolarHBondContact O-CB 3.39Å; L508-W511 PolarHBondContact O-N 3.22Å; H509-W511 VanDerWaalsContact C-N 3.34Å; W511-Q513 VanDerWaalsContact C-N 3.31Å
512G74.4Confident70.6Confident84 Ų8489.3 Ų89.387%0.86648%0.482SS*.THydrogen-bonded Turntrans80.84.2-178.300000115.1Y510Y510-G512 PolarHBondContact O-N 2.87Å; Y510-G512 VanDerWaalsContact O-N 3.13Å
513Q75.8Confident69.4Low121 Ų12190.6 Ų90.657%0.56548%0.481SS*.SBendtrans-94.8159.1172.1-57.7179.44400110.3H509 Y510 W511 L515H509-Q513 PolarHBondContact O-NE2 3.48Å; H509-Q513 VanDerWaalsContact O-NE2 3.09Å; Y510-Q513 PolarHBondContact O-N 2.86Å; W511-Q513 VanDerWaalsContact C-N 3.31Å; Q513-L515 PolarHBondContact O-N 2.69Å
514E65.9Low68.1Low196 Ų19691 Ų9192%0.91649%0.487SS*.PPolyproline II helixtrans-74.8119.7164-67.9-162.8145.300108.4
515L63.6Low66.7Low47 Ų4789.3 Ų89.325%0.24649%0.489CS..PPolyproline II helixtrans-65.7138.4-175.6-84.6162.4000111.3Y510 Q513 L549 R550Y510-L515 VanDerWaalsContact CB-CD2 3.43Å; Y510-L515 HydrophobicContact CD1-CD2 4.4Å; Y510-L515 HydrophobicContact CD2-CD2 3.75Å; Y510-L515 HydrophobicContact CG-CD2 3.61Å; Q513-L515 PolarHBondContact O-N 2.69Å; L515-L549 HydrophobicContact CD1-CB 4.34Å; L515-L549 HydrophobicContact CD2-CB 3.88Å; L515-L549 HydrophobicContact CD2-CD1 4.37Å; L515-R550 HydrophobicContact CD1-CG 3.44Å; L515-R550 VanDerWaalsContact CD1-CG 3.44Å
516P63.2Low65.5Low74 Ų7491.2 Ų91.248%0.48150%0.499SS..PPolyproline II helixtrans-52.1143.3163.7-23.333.6000110.5Y510 A518Y510-P516 HydrophobicContact CE1-CG 4.29Å; P516-A518 PolarHBondContact O-N 2.73Å
517T57.8Low64.4Low113 Ų11396.3 Ų96.369%0.69352%0.518SS*.  trans-57.2115.8172.2-54.60000108.2G519T517-G519 PolarHBondContact O-N 3Å
518A59.3Low63.4Low6 Ų6102 Ų1025%0.0554%0.543CS..PPolyproline II helixtrans-54.6130.2175.600000108.5P516 K520 V541 V545 L549P516-A518 PolarHBondContact O-N 2.73Å; A518-K520 PolarHBondContact O-N 3.1Å; A518-V541 HydrophobicContact CB-CG1 4.26Å; A518-V545 HydrophobicContact CB-CB 4.44Å; A518-V545 HydrophobicContact CB-CG1 4.03Å; A518-L549 HydrophobicContact CB-CD1 4.31Å
519G59Low62.1Low50 Ų50110.9 Ų110.952%0.51557%0.572SS.*PPolyproline II helixtrans-48.1132.2-169.300000111.9T517 I521T517-G519 PolarHBondContact O-N 3Å; G519-I521 PolarHBondContact O-N 3.03Å
520K58.6Low60.8Low126 Ų126115.4 Ų115.455%0.54859%0.591SS.*BIsolated β-bridgetrans-62.1124.9172.9-54.7-173.2-168.8-176.30107.2A518 E539A518-K520 PolarHBondContact O-N 3.1Å; K520-E539 HydrophobicContact CD-CB 4.3Å; K520-E539 HydrophobicContact CD-CG 4.27Å; K520-E539 WeakPolarHBondContact CD-OE1 3.45Å; K520-E539 WeakPolarHBondContact CE-OE1 3.34Å; K520-E539 WeakPolarHBondContact CE-OE2 3.18Å; K520-E539 IonicContact NZ-OE1 3.91Å; K520-E539 PolarHBondContact NZ-OE1 3.32Å; K520-E539 IonicContact NZ-OE2 3.31Å; K520-E539 PolarHBondContact NZ-OE2 2.81Å
521I56.2Low59.5Low82 Ų82123.1 Ų123.142%0.42162%0.62SS.*  trans-118.5120.1175-65.7168000105.8G519 K523 N542G519-I521 PolarHBondContact O-N 3.03Å; I521-K523 PolarHBondContact O-N 3.08Å; I521-K523 VanDerWaalsContact O-N 3.1Å; I521-N542 HydrophobicContact CD1-CB 4.2Å
522L57.1Low57.9Low102 Ų102119.3 Ų119.353%0.53461%0.609SS.*  trans-60.7111.1168.5-13372.8000107.7S524 E537L522-S524 PolarHBondContact O-N 3.15Å; L522-E537 HydrophobicContact CD1-CB 4.12Å
523K50.5Low56.6Low99 Ų99120.5 Ų120.543%0.4360%0.601SS.*  trans-92.798.6175.4-79.3-165.4175.5-174.50109.2I521 D525 D544I521-K523 PolarHBondContact O-N 3.08Å; I521-K523 VanDerWaalsContact O-N 3.1Å; K523-D525 VanDerWaalsContact C-N 3.29Å; K523-D525 PolarHBondContact O-N 3.14Å; K523-D544 IonicContact NZ-OD2 3.86Å
524S53.2Low55.2Low106 Ų106120.8 Ų120.874%0.74162%0.617SS**  trans-67.883.4174-54.30000110.9L522 S526L522-S524 PolarHBondContact O-N 3.15Å; S524-S526 PolarHBondContact O-N 3.28Å
525D51.7Low54.3Low134 Ų134119.7 Ų119.772%0.71761%0.611SS**  trans-70.312.7-171-121.840.8000114.9K523 K532K523-D525 VanDerWaalsContact C-N 3.29Å; K523-D525 PolarHBondContact O-N 3.14Å; D525-K532 PolarHBondContact O-NZ 2.89Å
526S54.4Low53.7Low59 Ų59123.7 Ų123.741%0.41364%0.637SS.*  trans-176.6134.8166.352.20000112S524 H528S524-S526 PolarHBondContact O-N 3.28Å; S526-H528 PolarHBondContact O-N 2.82Å
527E56.2Low52.9Low190 Ų190127 Ų12789%0.88865%0.646SS**SBendtrans-71.1-12.6174.9-63169.3165.500113.9
528H56.5Low52.6Low138 Ų138129.2 Ų129.264%0.63965%0.649SS**  trans-100.996.1-173.5-71.8-38.8000113.8S526 F530 W531S526-H528 PolarHBondContact O-N 2.82Å; H528-F530 PolarHBondContact O-N 2.95Å; H528-W531 PolarHBondContact O-N 3.3Å
529R55.4Low52.4Low252 Ų252134.6 Ų134.695%0.95167%0.673SS**THydrogen-bonded Turntrans-50.9-16172.9-75.916770.2164.2-0.7115.6
530F54.2Low52.3Low188 Ų188135.3 Ų135.383%0.82567%0.667SS**THydrogen-bonded Turntrans-93.3-16.6-169.8-151.2-90.4000115.5H528H528-F530 PolarHBondContact O-N 2.95Å
531W48.7Very low52.3Low228 Ų228132.6 Ų132.686%0.86466%0.661SS**SBendtrans-116.8-0.9-169.8-69.983.5000115.5H528H528-W531 PolarHBondContact O-N 3.3Å
532K44.3Very low52.7Low111 Ų111129.4 Ų129.448%0.48365%0.645SS.*SBendtrans-132.8134.8168.1-81.7-178.9177.6171.40109.1D525D525-K532 PolarHBondContact O-NZ 2.89Å
533P47.3Very low53.2Low108 Ų108127.7 Ų127.770%0.70165%0.645SS**  trans-63.7152.4161.7-18.232.3000111.3E535P533-E535 PolarHBondContact O-N 3.27Å
534S46.5Very low53.9Low128 Ų128127.4 Ų127.490%0.89565%0.649SS**  trans-77.165.6175.1570000112V536S534-V536 PolarHBondContact O-N 3.08Å
535E46.9Very low54.7Low172 Ų172124.9 Ų124.980%0.80463%0.629SS**  trans-79.598.9169.7-73.1-176.6-179.900109.8P533P533-E535 PolarHBondContact O-N 3.27Å
536V49.9Very low55.6Low131 Ų131119.3 Ų119.379%0.79460%0.6SS**  trans41.3113.6166.2-173.80000116.5S534 E538S534-V536 PolarHBondContact O-N 3.08Å; V536-E538 PolarHBondContact O-N 3.3Å
537E48.5Very low56.4Low143 Ų143122 Ų12267%0.66861%0.606SS**  trans-57.498.9169.1-63.5175166.500111.1L522 E539L522-E537 HydrophobicContact CD1-CB 4.12Å; E537-E539 PolarHBondContact O-N 3.38Å
538E50.6Low57.1Low160 Ų160118.6 Ų118.675%0.74859%0.592SS**  trans-73.6114.2-178.5-160.8171.7-135.100108.8V536 V540V536-E538 PolarHBondContact O-N 3.3Å; E538-V540 HydrophobicContact CB-CG2 4.19Å; E538-V540 HydrophobicContact CG-CG2 4.07Å; E538-V540 PolarHBondContact O-N 2.97Å
539E54.9Low57.9Low120 Ų120113.7 Ų113.756%0.56157%0.57SS**  trans-68.865.5179.5-65.3-167.6129.700112.1K520 E537 V541K520-E539 HydrophobicContact CD-CB 4.3Å; K520-E539 HydrophobicContact CD-CG 4.27Å; K520-E539 WeakPolarHBondContact CD-OE1 3.45Å; K520-E539 WeakPolarHBondContact CE-OE1 3.34Å; K520-E539 WeakPolarHBondContact CE-OE2 3.18Å; K520-E539 IonicContact NZ-OE1 3.91Å; K520-E539 PolarHBondContact NZ-OE1 3.32Å; K520-E539 IonicContact NZ-OE2 3.31Å; K520-E539 PolarHBondContact NZ-OE2 2.81Å; E537-E539 PolarHBondContact O-N 3.38Å; E539-V541 PolarHBondContact O-N 3.31Å
540V56.4Low58.8Low65 Ų65109 Ų10939%0.39455%0.552SS.*  trans-72102-178.1-177.20000109.4E538 N542E538-V540 HydrophobicContact CB-CG2 4.19Å; E538-V540 HydrophobicContact CG-CG2 4.07Å; E538-V540 PolarHBondContact O-N 2.97Å; V540-N542 PolarHBondContact O-N 3.4Å
541V58.2Low59.7Low68 Ų68101.9 Ų101.941%0.41253%0.526SS..BIsolated β-bridgetrans-48.7116.3166.6177.40000108.2A518 E539 A543A518-V541 HydrophobicContact CB-CG1 4.26Å; E539-V541 PolarHBondContact O-N 3.31Å; V541-A543 PolarHBondContact O-N 2.72Å
542N65.8Low61Low16 Ų1694.6 Ų94.69%0.08650%0.498CS..  trans-63.5106.1-172.9-175.2-37.4000109.6I521 V540 D544 V545 S546I521-N542 HydrophobicContact CD1-CB 4.2Å; V540-N542 PolarHBondContact O-N 3.4Å; N542-D544 VanDerWaalsContact C-N 3.26Å; N542-D544 PolarHBondContact O-N 2.74Å; N542-D544 VanDerWaalsContact OD1-CB 3.32Å; N542-D544 WeakPolarHBondContact OD1-CB 3.37Å; N542-D544 PolarHBondContact OD1-N 3.13Å; N542-D544 VanDerWaalsContact OD1-N 3.08Å; N542-D544 PolarHBondContact OD1-OD2 3.35Å; N542-V545 HydrophobicContact CB-CB 4.19Å; N542-V545 HydrophobicContact CB-CG2 4.06Å; N542-V545 PolarHBondContact O-N 3.03Å; N542-V545 PolarHBondContact OD1-N 3.16Å; N542-V545 VanDerWaalsContact OD1-N 3.15Å; N542-S546 WeakPolarHBondContact O-CB 3.44Å; N542-S546 PolarHBondContact O-N 2.91Å
543A66.8Low62.3Low65 Ų6596.3 Ų96.354%0.53751%0.508SS..Hα-helixtrans-60.6-39.1-175.100000111.4V541 S546 E547V541-A543 PolarHBondContact O-N 2.72Å; A543-S546 CarbonylContact O-C 3.32Å; A543-S546 PolarHBondContact O-N 2.99Å; A543-E547 VanDerWaalsContact O-CB 3.31Å; A543-E547 WeakPolarHBondContact O-CB 3.32Å; A543-E547 PolarHBondContact O-N 2.99Å
544D66.7Low63.4Low94 Ų9497.7 Ų97.750%0.50351%0.508SS..Hα-helixtrans-62.7-45.8-179.1-39.9-57.1000110.3K523 N542 E547 M548K523-D544 IonicContact NZ-OD2 3.86Å; N542-D544 VanDerWaalsContact C-N 3.26Å; N542-D544 PolarHBondContact O-N 2.74Å; N542-D544 VanDerWaalsContact OD1-CB 3.32Å; N542-D544 WeakPolarHBondContact OD1-CB 3.37Å; N542-D544 PolarHBondContact OD1-N 3.13Å; N542-D544 VanDerWaalsContact OD1-N 3.08Å; N542-D544 PolarHBondContact OD1-OD2 3.35Å; D544-E547 PolarHBondContact O-N 2.76Å; D544-M548 WeakPolarHBondContact O-CG 3.34Å; D544-M548 PolarHBondContact O-N 3.31Å
545V69.2Low64.4Low53 Ų5397.9 Ų97.932%0.32150%0.504SS..Hα-helixtrans-65.9-42.8174.4178.80000111.1A518 N542 E547 M548 L549A518-V545 HydrophobicContact CB-CB 4.44Å; A518-V545 HydrophobicContact CB-CG1 4.03Å; N542-V545 HydrophobicContact CB-CB 4.19Å; N542-V545 HydrophobicContact CB-CG2 4.06Å; N542-V545 PolarHBondContact O-N 3.03Å; N542-V545 PolarHBondContact OD1-N 3.16Å; N542-V545 VanDerWaalsContact OD1-N 3.15Å; V545-E547 PolarHBondContact O-N 3.42Å; V545-M548 PolarHBondContact O-N 3.32Å; V545-L549 WeakPolarHBondContact O-CG 3.45Å; V545-L549 PolarHBondContact O-N 2.96Å; V545-L549 VanDerWaalsContact O-N 3.08Å
546S69.9Low65.6Low17 Ų1796.9 Ų96.912%0.11950%0.497CS..Hα-helixtrans-66.5-21.7176.6-157.20000113.4N542 A543 R550N542-S546 WeakPolarHBondContact O-CB 3.44Å; N542-S546 PolarHBondContact O-N 2.91Å; A543-S546 CarbonylContact O-C 3.32Å; A543-S546 PolarHBondContact O-N 2.99Å; S546-R550 WeakPolarHBondContact O-CD 3.38Å; S546-R550 WeakPolarHBondContact O-CG 3.3Å; S546-R550 PolarHBondContact O-NH1 2.84Å; S546-R550 PolarHBondContact OG-NH1 3.25Å; S546-R550 PolarHBondContact OG-NH2 2.94Å
547E72.4Confident66.4Low114 Ų11496.1 Ų96.153%0.53350%0.504SS..Hα-helixtrans-86.6-38174-177.9155.1-152.200111.7A543 D544 V545 L549 R550 S551A543-E547 VanDerWaalsContact O-CB 3.31Å; A543-E547 WeakPolarHBondContact O-CB 3.32Å; A543-E547 PolarHBondContact O-N 2.99Å; D544-E547 PolarHBondContact O-N 2.76Å; V545-E547 PolarHBondContact O-N 3.42Å; E547-L549 VanDerWaalsContact C-N 3.28Å; E547-L549 PolarHBondContact O-N 3.13Å; E547-R550 CarbonylContact O-C 3.56Å; E547-R550 PolarHBondContact O-N 3.47Å; E547-S551 WeakPolarHBondContact CG-OG 3.4Å; E547-S551 WeakPolarHBondContact O-CB 3.45Å; E547-S551 PolarHBondContact O-N 2.95Å; E547-S551 PolarHBondContact O-OG 2.78Å
548M70.1Confident67.7Low119 Ų11991 Ų9159%0.58649%0.491SS*.Hα-helixtrans-61.1-33.8170.9-73.9179.467.700113D544 V545 R550D544-M548 WeakPolarHBondContact O-CG 3.34Å; D544-M548 PolarHBondContact O-N 3.31Å; V545-M548 PolarHBondContact O-N 3.32Å; M548-R550 PolarHBondContact O-N 3.42Å
549L73.5Confident68.7Low35 Ų3594.8 Ų94.818%0.18350%0.498CS..THydrogen-bonded Turntrans-70.2-11.8172.6-68.9176000114V506 Y510 L515 A518 V545 E547V506-L549 HydrophobicContact CG1-CD2 3.6Å; Y510-L549 HydrophobicContact CD2-CD2 4.13Å; Y510-L549 HydrophobicContact CE2-CD2 3.88Å; L515-L549 HydrophobicContact CD1-CB 4.34Å; L515-L549 HydrophobicContact CD2-CB 3.88Å; L515-L549 HydrophobicContact CD2-CD1 4.37Å; A518-L549 HydrophobicContact CB-CD1 4.31Å; V545-L549 WeakPolarHBondContact O-CG 3.45Å; V545-L549 PolarHBondContact O-N 2.96Å; V545-L549 VanDerWaalsContact O-N 3.08Å; E547-L549 VanDerWaalsContact C-N 3.28Å; E547-L549 PolarHBondContact O-N 3.13Å
550R73.1Confident69.6Low153 Ų15396.8 Ų96.858%0.57751%0.505SS*.THydrogen-bonded Turntrans-117.5-15.2-178.1-67.4179.2-173.6116.17113.8L515 S546 E547 M548L515-R550 HydrophobicContact CD1-CG 3.44Å; L515-R550 VanDerWaalsContact CD1-CG 3.44Å; S546-R550 WeakPolarHBondContact O-CD 3.38Å; S546-R550 WeakPolarHBondContact O-CG 3.3Å; S546-R550 PolarHBondContact O-NH1 2.84Å; S546-R550 PolarHBondContact OG-NH1 3.25Å; S546-R550 PolarHBondContact OG-NH2 2.94Å; E547-R550 CarbonylContact O-C 3.56Å; E547-R550 PolarHBondContact O-N 3.47Å; M548-R550 PolarHBondContact O-N 3.42Å
551S73.6Confident70.5Confident39 Ų39100.8 Ų100.827%0.27352%0.519SS..  trans-150.5142.5-16972.70000111.6E547E547-S551 WeakPolarHBondContact CG-OG 3.4Å; E547-S551 WeakPolarHBondContact O-CB 3.45Å; E547-S551 PolarHBondContact O-N 2.95Å; E547-S551 PolarHBondContact O-OG 2.78Å
552R75.9Confident71.5Confident75 Ų75102.1 Ų102.128%0.28353%0.53SS..  trans-97.2125.3177.254.2-179.960-137.4-3.9111.4P503 D507 I554P503-R552 PolarHBondContact O-NH1 3.48Å; P503-R552 PolarHBondContact O-NH2 2.9Å; D507-R552 IonicContact OD1-CZ 2.82Å; D507-R552 IonicContact OD1-NE 3.73Å; D507-R552 IonicContact OD1-NH2 2.83Å; D507-R552 PolarHBondContact OD1-NH2 3.15Å; D507-R552 IonicContact OD2-CZ 2.72Å; D507-R552 IonicContact OD2-NE 3.96Å; D507-R552 PolarHBondContact OD2-NE 2.93Å; D507-R552 IonicContact OD2-NH2 3.52Å; D507-R552 PolarHBondContact OD2-NH2 2.96Å; D507-R552 VanDerWaalsContact OD2-NH2 3.16Å; R552-I554 HydrophobicContact CG-CD1 4.27Å; R552-I554 HydrophobicContact CG-CG1 4.21Å; R552-I554 PolarHBondContact O-N 3.35Å
553H71.2Confident72.2Confident147 Ų147102.7 Ų102.768%0.68153%0.534SS*.  trans-80.6108.8168-73.483000109.1
554I72.1Confident72.9Confident137 Ų137109 Ų10970%0.70355%0.552SS**  trans-101.2113.4175.5-57.5176.3000108R552 F556R552-I554 HydrophobicContact CG-CD1 4.27Å; R552-I554 HydrophobicContact CG-CG1 4.21Å; R552-I554 PolarHBondContact O-N 3.35Å; I554-F556 PolarHBondContact O-N 2.93Å
555T66.4Low73.6Confident132 Ų132109 Ų10981%0.8155%0.548SS*.  trans-67.5126.5176.242.70000110.6A557T555-A557 PolarHBondContact O-N 3.39Å; T555-A557 VanDerWaalsContact O-N 3.1Å
556F72.1Confident74.5Confident151 Ų151112.5 Ų112.566%0.66256%0.556SS**  trans-7798.7179.7-179.8-103.9000110.2I554 G558I554-F556 PolarHBondContact O-N 2.93Å; F556-G558 WeakPolarHBondContact CD1-O 3.27Å; F556-G558 VanDerWaalsContact CE1-C 3.49Å; F556-G558 VanDerWaalsContact CE1-CA 3.46Å; F556-G558 VanDerWaalsContact CE1-O 3.3Å; F556-G558 WeakPolarHBondContact CE1-O 3.46Å; F556-G558 PolarHBondContact O-N 3.43Å
557A67.6Low75.3Confident115 Ų115111.8 Ų111.895%0.9555%0.551SS**  trans-71.421.2-178.500000115.1T555T555-A557 PolarHBondContact O-N 3.39Å; T555-A557 VanDerWaalsContact O-N 3.1Å
558G74.2Confident76Confident37 Ų37110.1 Ų110.138%0.38154%0.54SS..SBendtrans-112.7155.3179.700000112.6F556F556-G558 WeakPolarHBondContact CD1-O 3.27Å; F556-G558 VanDerWaalsContact CE1-C 3.49Å; F556-G558 VanDerWaalsContact CE1-CA 3.46Å; F556-G558 VanDerWaalsContact CE1-O 3.3Å; F556-G558 WeakPolarHBondContact CE1-O 3.46Å; F556-G558 PolarHBondContact O-N 3.43Å
559R72Confident76.8Confident239 Ų239104.6 Ų104.690%0.90251%0.514SS*.  trans-69.9144.9173.9-67.5-179.6177170.8-1.1110.7E561R559-E561 PolarHBondContact O-N 3.35Å
560F73.8Confident77.4Confident161 Ų161106.5 Ų106.571%0.70653%0.528SS*.  trans-85108.8179.7179.6-92.2000111.5P562F560-P562 HydrophobicContact CE1-CB 4.33Å
561E76.3Confident77.9Confident149 Ų149103.5 Ų103.570%0.69652%0.516SS*.PPolyproline II helixtrans-89.5128.1168.5-64.9178169.500111.2R559 R582R559-E561 PolarHBondContact O-N 3.35Å; E561-R582 PolarHBondContact O-NH2 3.02Å
562P78.3Confident77.9Confident97 Ų97107.9 Ų107.963%0.6354%0.544SS*.PPolyproline II helixtrans-71.9147.9177.929.8-34.6000112F560 Q564F560-P562 HydrophobicContact CE1-CB 4.33Å; P562-Q564 PolarHBondContact O-N 3.19Å
563V81.6Confident77.8Confident28 Ų28109.4 Ų109.417%0.1756%0.558CS.*PPolyproline II helixtrans-82.8116.3-175-171.20000110.6Q580 R582V563-Q580 HydrophobicContact CB-CB 4.23Å; V563-Q580 HydrophobicContact CG1-CB 4.35Å; V563-Q580 WeakPolarHBondContact CG2-O 3.42Å; V563-R582 HydrophobicContact CG2-CG 3.45Å; V563-R582 VanDerWaalsContact CG2-CG 3.45Å
564Q81Confident78Confident196 Ų196105.7 Ų105.792%0.91656%0.56SS**  trans-81.4-14.6-176.3-60.1-178.18.200113.8P562P562-Q564 PolarHBondContact O-N 3.19Å
565H81.3Confident78.7Confident94 Ų94107.7 Ų107.744%0.43556%0.558SS.*  trans-108.6150.3-174.962.8-109000113.6D581 R582H565-D581 PolarHBondContact NE2-O 2.81Å; H565-R582 PolarHBondContact CE1-O 2.91Å; H565-R582 WeakPolarHBondContact NE2-CA 3.38Å; H565-R582 PolarHBondContact NE2-O 3.41Å; H565-R582 VanDerWaalsContact NE2-O 3.15Å
566R87.4Confident79.8Confident127 Ų127103.6 Ų103.648%0.47953%0.531SS..  trans-109148.7171.6-67.3-177.6-173-1533.4110.6R568 R579 Q580R566-R568 VanDerWaalsContact C-N 3.27Å; R566-R568 HydrophobicContact CB-CG 4.13Å; R566-R568 PolarHBondContact O-N 3.48Å; R566-R579 CarbonylContact C-O 3.55Å; R566-R579 WeakPolarHBondContact CA-O 3.36Å; R566-Q580 HydrophobicContact CG-CG 3.66Å
567C87.8Confident80.6Confident3 Ų396.7 Ų96.72%0.0250%0.502CS..  trans-58.8-34.6-178.5171.50000113.5A569 C577 R579 C585 H588 I591 R594C567-A569 PolarHBondContact O-N 3.39Å; C567-C577 HydrophobicContact CB-CB 3.93Å; C567-C577 VanDerWaalsContact SG-SG 3.7Å; C567-R579 HydrophobicContact CB-CB 4.49Å; C567-R579 WeakPolarHBondContact CB-O 3.16Å; C567-R579 PolarHBondContact N-O 3.09Å; C567-C585 HydrophobicContact CB-CB 4.08Å; C567-C585 WeakPolarHBondContact SG-CB 3.35Å; C567-C585 VanDerWaalsContact SG-SG 3.65Å; C567-H588 PolarHBondContact SG-ND1 3.02Å; C567-H588 VanDerWaalsContact SG-ND1 3.41Å; C567-I591 HydrophobicContact CB-CD1 4.19Å; C567-I591 HydrophobicContact CB-CG1 4.15Å; C567-R594 WeakPolarHBondContact O-CD 3.38Å; C567-R594 PolarHBondContact O-NE 2.67Å
568R86Confident81.7Confident78 Ų7897.3 Ų97.329%0.29449%0.485SS..  trans53.82.9172.5-76.8175.8168.1-122-6.4117.2R566 L576 C577 R594 D595 D596 G598R566-R568 VanDerWaalsContact C-N 3.27Å; R566-R568 HydrophobicContact CB-CG 4.13Å; R566-R568 PolarHBondContact O-N 3.48Å; R568-L576 HydrophobicContact CB-CD1 4.45Å; R568-C577 PolarHBondContact N-O 3.18Å; R568-R594 VanDerWaalsContact C-CD 3.44Å; R568-R594 HydrophobicContact CB-CB 3.84Å; R568-R594 HydrophobicContact CB-CG 4.42Å; R568-R594 PolarHBondContact NH1-O 3.37Å; R568-D595 PolarHBondContact NH1-O 3.3Å; R568-D596 IonicContact CZ-OD1 3.38Å; R568-D596 IonicContact NH1-OD1 2.7Å; R568-D596 PolarHBondContact NH1-OD1 2.95Å; R568-D596 IonicContact NH2-OD1 2.62Å; R568-D596 PolarHBondContact NH2-OD1 2.89Å; R568-G598 WeakPolarHBondContact O-CA 3.49Å
569A87Confident82.3Confident4 Ų499.9 Ų99.93%0.03348%0.483CS..PPolyproline II helixtrans-65.3141176.700000111.4C567 R571 L576 C577 H588C567-A569 PolarHBondContact O-N 3.39Å; A569-R571 PolarHBondContact O-N 2.94Å; A569-L576 CarbonylContact O-C 3.49Å; A569-C577 HydrophobicContact CB-CB 4.48Å; A569-C577 WeakPolarHBondContact O-CB 3.35Å; A569-C577 PolarHBondContact O-N 3.35Å; A569-H588 HydrophobicContact CB-CB 3.92Å
570P85.9Confident82.9Confident74 Ų7493 Ų9348%0.48146%0.461SS..BIsolated β-bridgetrans-68.5129.5178.627.6-34.4000111.4L576P570-L576 HydrophobicContact CB-CD2 4.19Å
571R83.9Confident83.5Confident90 Ų9087 Ų8734%0.3444%0.436SS..PPolyproline II helixtrans-91.1159.6176.7-59177.859.4-101.3-13.9110.4A569 D573 G574 R575 C577A569-R571 PolarHBondContact O-N 2.94Å; R571-D573 IonicContact CZ-OD2 3.55Å; R571-D573 IonicContact NH1-OD2 3.51Å; R571-D573 PolarHBondContact NH1-OD2 2.62Å; R571-D573 IonicContact NH2-OD1 3.46Å; R571-D573 IonicContact NH2-OD2 2.83Å; R571-D573 PolarHBondContact NH2-OD2 3.28Å; R571-D573 PolarHBondContact O-N 2.91Å; R571-D573 VanDerWaalsContact O-N 3.13Å; R571-G574 PolarHBondContact O-N 3.35Å; R571-R575 WeakPolarHBondContact CB-O 3.22Å; R571-R575 WeakPolarHBondContact CG-O 3.46Å; R571-R575 PolarHBondContact N-O 2.91Å; R571-C577 HydrophobicContact CG-CB 4.41Å
572P74.6Confident83.7Confident132 Ų13285 Ų8586%0.85742%0.422SS*.THydrogen-bonded Turntrans-53.9-31.8174.6-27.136.2000113.7G574P572-G574 PolarHBondContact O-N 3.27Å; P572-G574 VanDerWaalsContact O-N 3.08Å
573D73.4Confident83.7Confident106 Ų10686.9 Ų86.957%0.56743%0.427SS*.THydrogen-bonded Turntrans-73.211.6177.7-40.8-12.5000113.9R571 R575R571-D573 IonicContact CZ-OD2 3.55Å; R571-D573 IonicContact NH1-OD2 3.51Å; R571-D573 PolarHBondContact NH1-OD2 2.62Å; R571-D573 IonicContact NH2-OD1 3.46Å; R571-D573 IonicContact NH2-OD2 2.83Å; R571-D573 PolarHBondContact NH2-OD2 3.28Å; R571-D573 PolarHBondContact O-N 2.91Å; R571-D573 VanDerWaalsContact O-N 3.13Å; D573-R575 PolarHBondContact O-N 3.12Å
574G76Confident83.9Confident70 Ų7092.9 Ų92.972%0.72245%0.451SS*.SBendtrans73.3-10.5-179.200000116.1R571 P572R571-G574 PolarHBondContact O-N 3.35Å; P572-G574 PolarHBondContact O-N 3.27Å; P572-G574 VanDerWaalsContact O-N 3.08Å
575R86.2Confident84.1Confident178 Ų17883.7 Ų83.767%0.67241%0.408SS*.SBendtrans-89.6154.4177.6-59.9-173.4-176-166.30.5112.4R571 D573R571-R575 WeakPolarHBondContact CB-O 3.22Å; R571-R575 WeakPolarHBondContact CG-O 3.46Å; R571-R575 PolarHBondContact N-O 2.91Å; D573-R575 PolarHBondContact O-N 3.12Å
576L89.8Confident84.3Confident46 Ų4683.8 Ų83.824%0.24142%0.417CS..BIsolated β-bridgetrans-76.8159.4173.7-57.7-165.5000112.8R568 A569 P570 E578 D596R568-L576 HydrophobicContact CB-CD1 4.45Å; A569-L576 CarbonylContact O-C 3.49Å; P570-L576 HydrophobicContact CB-CD2 4.19Å; L576-E578 PolarHBondContact O-N 3.04Å; L576-D596 VanDerWaalsContact CD1-O 3.26Å; L576-D596 WeakPolarHBondContact CD1-O 3.46Å
577C88.8Confident84Confident6 Ų684.8 Ų84.84%0.04143%0.425CS..  trans-79.4111.3178.1-171.20000112.5C567 R568 A569 R571 R579 H588C567-C577 HydrophobicContact CB-CB 3.93Å; C567-C577 VanDerWaalsContact SG-SG 3.7Å; R568-C577 PolarHBondContact N-O 3.18Å; A569-C577 HydrophobicContact CB-CB 4.48Å; A569-C577 WeakPolarHBondContact O-CB 3.35Å; A569-C577 PolarHBondContact O-N 3.35Å; R571-C577 HydrophobicContact CG-CB 4.41Å; C577-R579 VanDerWaalsContact C-N 3.33Å; C577-R579 PolarHBondContact O-N 3.34Å; C577-H588 PolarHBondContact SG-CE1 3.33Å; C577-H588 PolarHBondContact SG-ND1 3.39Å
578E89.9Confident83.6Confident129 Ų12987.5 Ų87.560%0.60344%0.437SS*.  trans-78.5-9.4-176.9-65172.4-163.400114.9L576L576-E578 PolarHBondContact O-N 3.04Å
579R86.4Confident83.5Confident90 Ų9085.6 Ų85.634%0.3444%0.442SS..  trans-60.3144.1-176.1-71.4-177.262.212913.6113.3R566 C567 C577 D581R566-R579 CarbonylContact C-O 3.55Å; R566-R579 WeakPolarHBondContact CA-O 3.36Å; C567-R579 HydrophobicContact CB-CB 4.49Å; C567-R579 WeakPolarHBondContact CB-O 3.16Å; C567-R579 PolarHBondContact N-O 3.09Å; C577-R579 VanDerWaalsContact C-N 3.33Å; C577-R579 PolarHBondContact O-N 3.34Å; R579-D581 WeakPolarHBondContact CB-OD2 3.45Å; R579-D581 IonicContact CZ-OD1 2.71Å; R579-D581 IonicContact CZ-OD2 3.64Å; R579-D581 IonicContact NE-OD1 3.27Å; R579-D581 PolarHBondContact NE-OD1 3.02Å; R579-D581 IonicContact NE-OD2 3.24Å; R579-D581 PolarHBondContact NE-OD2 3.4Å; R579-D581 IonicContact NH2-OD1 3.43Å; R579-D581 PolarHBondContact NH2-OD1 3.17Å; R579-D581 IonicContact NH2-OD2 2.74Å
580Q86.6Confident83.4Confident94 Ų9492.2 Ų92.244%0.43947%0.47SS..  trans-118.455.4-175.7-65.3168.134.400110.9V563 R566V563-Q580 HydrophobicContact CB-CB 4.23Å; V563-Q580 HydrophobicContact CG1-CB 4.35Å; V563-Q580 WeakPolarHBondContact CG2-O 3.42Å; R566-Q580 HydrophobicContact CG-CG 3.66Å
581D84.9Confident83.3Confident35 Ų3589.8 Ų89.819%0.18745%0.453CS..  trans-81.2140.9178.8-47.7-71.2000110.7H565 R579 L583 K584 C585 I591H565-D581 PolarHBondContact NE2-O 2.81Å; R579-D581 WeakPolarHBondContact CB-OD2 3.45Å; R579-D581 IonicContact CZ-OD1 2.71Å; R579-D581 IonicContact CZ-OD2 3.64Å; R579-D581 IonicContact NE-OD1 3.27Å; R579-D581 PolarHBondContact NE-OD1 3.02Å; R579-D581 IonicContact NE-OD2 3.24Å; R579-D581 PolarHBondContact NE-OD2 3.4Å; R579-D581 IonicContact NH2-OD1 3.43Å; R579-D581 PolarHBondContact NH2-OD1 3.17Å; R579-D581 IonicContact NH2-OD2 2.74Å; D581-L583 PolarHBondContact O-N 3.33Å; D581-K584 VanDerWaalsContact CB-O 3.25Å; D581-K584 WeakPolarHBondContact CB-O 3.44Å; D581-C585 WeakPolarHBondContact OD2-CA 3.29Å; D581-I591 HydrophobicContact CB-CD1 3.76Å; D581-I591 WeakPolarHBondContact O-CD1 3.5Å
582R80.3Confident83.5Confident107 Ų10786.2 Ų86.240%0.40444%0.44SS..SBendtrans-62.3-32.4-172.5-82-174177176.21.6115.6E561 V563 H565E561-R582 PolarHBondContact O-NH2 3.02Å; V563-R582 HydrophobicContact CG2-CG 3.45Å; V563-R582 VanDerWaalsContact CG2-CG 3.45Å; H565-R582 PolarHBondContact CE1-O 2.91Å; H565-R582 WeakPolarHBondContact NE2-CA 3.38Å; H565-R582 PolarHBondContact NE2-O 3.41Å; H565-R582 VanDerWaalsContact NE2-O 3.15Å
583L79.6Confident83.9Confident138 Ų13884 Ų8472%0.72343%0.425SS*.SBendtrans-141-37.9-171.1-67173.8000114.4D581 I591D581-L583 PolarHBondContact O-N 3.33Å; L583-I591 PolarHBondContact O-N 3.43Å
584K85.8Confident84.5Confident154 Ų15479.8 Ų79.867%0.6740%0.402SS*.EExtended strand (participates in β ladder)trans-140.8129-176-64.4176-177.7172.80109.6D581 G589D581-K584 VanDerWaalsContact CB-O 3.25Å; D581-K584 WeakPolarHBondContact CB-O 3.44Å; K584-G589 CarbonylContact C-O 3Å; K584-G589 VanDerWaalsContact CA-O 3.24Å; K584-G589 WeakPolarHBondContact CA-O 3.49Å
585C84.1Confident84.8Confident2 Ų278.2 Ų78.21%0.01438%0.377CS..EExtended strand (participates in β ladder)trans-85.4122.6167.51750000108.8C567 D581 F587 H588 G589 I591C567-C585 HydrophobicContact CB-CB 4.08Å; C567-C585 WeakPolarHBondContact SG-CB 3.35Å; C567-C585 VanDerWaalsContact SG-SG 3.65Å; D581-C585 WeakPolarHBondContact OD2-CA 3.29Å; C585-F587 PolarHBondContact O-N 2.74Å; C585-H588 HydrophobicContact CB-CB 4.35Å; C585-H588 PolarHBondContact O-N 2.67Å; C585-H588 PolarHBondContact SG-ND1 2.99Å; C585-G589 PolarHBondContact N-O 2.84Å; C585-G589 PolarHBondContact O-N 3.24Å; C585-I591 HydrophobicContact CB-CD1 3.95Å; C585-I591 HydrophobicContact CB-CG1 3.89Å
586P85.1Confident84.5Confident97 Ų9775.5 Ų75.563%0.6338%0.376SS*.THydrogen-bonded Turntrans-52.5-26178.4-30.837.2000115.4
587F81.2Confident83.9Confident148 Ų14879.3 Ų79.365%0.64939%0.392SS*.THydrogen-bonded Turntrans-90.1-23.9178.6-57.4-56.1000115C585C585-F587 PolarHBondContact O-N 2.74Å
588H80.7Confident83.6Confident59 Ų5979.1 Ų79.127%0.27339%0.392SS..THydrogen-bonded Turntrans-130.5-1.1-166.8-52115.7000114.3C567 A569 C577 C585C567-H588 PolarHBondContact SG-ND1 3.02Å; C567-H588 VanDerWaalsContact SG-ND1 3.41Å; A569-H588 HydrophobicContact CB-CB 3.92Å; C577-H588 PolarHBondContact SG-CE1 3.33Å; C577-H588 PolarHBondContact SG-ND1 3.39Å; C585-H588 HydrophobicContact CB-CB 4.35Å; C585-H588 PolarHBondContact O-N 2.67Å; C585-H588 PolarHBondContact SG-ND1 2.99Å
589G84.6Confident83.2Confident38 Ų3880.5 Ų80.539%0.39239%0.391SS..EExtended strand (participates in β ladder)trans86.3-146.7178.700000113.4K584 C585 I591K584-G589 CarbonylContact C-O 3Å; K584-G589 VanDerWaalsContact CA-O 3.24Å; K584-G589 WeakPolarHBondContact CA-O 3.49Å; C585-G589 PolarHBondContact N-O 2.84Å; C585-G589 PolarHBondContact O-N 3.24Å; G589-I591 PolarHBondContact O-N 2.89Å
590K84.6Confident83.3Confident143 Ų14376.5 Ų76.562%0.62238%0.377SS*.EExtended strand (participates in β ladder)trans-57.4131.5177.7-174.8-163.6170.5-1610109.3I592K590-I592 HydrophobicContact CD-CG2 4.13Å; K590-I592 HydrophobicContact CG-CG2 4.35Å
591I83.8Confident83.1Confident24 Ų2477 Ų7712%0.12338%0.382CS..  trans-77.5136.8172.5-70.8164.6000109C567 D581 L583 C585 G589C567-I591 HydrophobicContact CB-CD1 4.19Å; C567-I591 HydrophobicContact CB-CG1 4.15Å; D581-I591 HydrophobicContact CB-CD1 3.76Å; D581-I591 WeakPolarHBondContact O-CD1 3.5Å; L583-I591 PolarHBondContact O-N 3.43Å; C585-I591 HydrophobicContact CB-CD1 3.95Å; C585-I591 HydrophobicContact CB-CG1 3.89Å; G589-I591 PolarHBondContact O-N 2.89Å
592I87.3Confident83Confident14 Ų1478.6 Ų78.67%0.07239%0.39CS..  trans-138.2148.8-175.260.4175.6000107.9K590 P600 D605K590-I592 HydrophobicContact CD-CG2 4.13Å; K590-I592 HydrophobicContact CG-CG2 4.35Å; I592-P600 HydrophobicContact CD1-CB 3.97Å; I592-P600 HydrophobicContact CD1-CG 3.8Å; I592-D605 HydrophobicContact CD1-CB 3.87Å; I592-D605 VanDerWaalsContact CG2-OD2 3.31Å; I592-D605 WeakPolarHBondContact CG2-OD2 3.43Å
593P84.1Confident83Confident85 Ų8578.1 Ų78.155%0.55240%0.401SS*.  trans-68.8136.2-17828.9-35.1000111.2L601P593-L601 HydrophobicContact CB-CD1 4.17Å; P593-L601 PolarHBondContact O-N 3.05Å
594R84.1Confident83.2Confident18 Ų1878 Ų787%0.06840%0.397CS..BIsolated β-bridgetrans-137.6150.3-176-65.4170.1-172.8-84.6-3.7111.3C567 R568 G598 R599 E609C567-R594 WeakPolarHBondContact O-CD 3.38Å; C567-R594 PolarHBondContact O-NE 2.67Å; R568-R594 VanDerWaalsContact C-CD 3.44Å; R568-R594 HydrophobicContact CB-CB 3.84Å; R568-R594 HydrophobicContact CB-CG 4.42Å; R568-R594 PolarHBondContact NH1-O 3.37Å; R594-G598 VanDerWaalsContact CD-O 3.3Å; R594-G598 WeakPolarHBondContact CD-O 3.31Å; R594-G598 PolarHBondContact NH1-O 2.92Å; R594-R599 WeakPolarHBondContact CA-O 3.42Å; R594-R599 WeakPolarHBondContact CB-O 3.36Å; R594-E609 IonicContact CZ-OE1 3.27Å; R594-E609 IonicContact CZ-OE2 3.73Å; R594-E609 IonicContact NH1-OE1 2.64Å; R594-E609 IonicContact NH1-OE2 2.67Å; R594-E609 PolarHBondContact NH1-OE2 3.48Å; R594-E609 VanDerWaalsContact NH2-CD 3.32Å; R594-E609 IonicContact NH2-OE1 3.23Å; R594-E609 PolarHBondContact NH2-OE1 2.97Å; R594-E609 IonicContact NH2-OE2 3.41Å; R594-E609 PolarHBondContact NH2-OE2 3.4Å
595D82.5Confident83Confident37 Ų3771.4 Ų71.420%0.19837%0.369CS..  trans-67.8-176.6170.654.727.2000112.6R568 E597 G598 R599 L601R568-D595 PolarHBondContact NH1-O 3.3Å; D595-E597 PolarHBondContact O-N 3.15Å; D595-E597 PolarHBondContact OD1-N 2.97Å; D595-G598 PolarHBondContact O-N 3.35Å; D595-G598 PolarHBondContact OD1-N 3.31Å; D595-R599 PolarHBondContact N-O 3.4Å; D595-R599 PolarHBondContact OD1-N 2.98Å; D595-R599 WeakPolarHBondContact OD2-CB 3.28Å; D595-L601 HydrophobicContact CB-CD2 3.99Å
596D81.1Confident82.9Confident122 Ų12276 Ų7665%0.65239%0.386SS*.THydrogen-bonded Turntrans-75.3-11.7178.9-69-49.6000112.6R568 L576R568-D596 IonicContact CZ-OD1 3.38Å; R568-D596 IonicContact NH1-OD1 2.7Å; R568-D596 PolarHBondContact NH1-OD1 2.95Å; R568-D596 IonicContact NH2-OD1 2.62Å; R568-D596 PolarHBondContact NH2-OD1 2.89Å; L576-D596 VanDerWaalsContact CD1-O 3.26Å; L576-D596 WeakPolarHBondContact CD1-O 3.46Å
597E77.8Confident82.8Confident125 Ų12572.8 Ų72.858%0.58437%0.367SS*.THydrogen-bonded Turntrans-91.2-4.3169.8-59.581.7176.700113.4D595 R599D595-E597 PolarHBondContact O-N 3.15Å; D595-E597 PolarHBondContact OD1-N 2.97Å; E597-R599 HydrophobicContact CB-CG 4.24Å
598G81Confident82.9Confident3 Ų371.5 Ų71.53%0.03136%0.358CS..  trans81.813.9176.100000115.8R568 R594 D595R568-G598 WeakPolarHBondContact O-CA 3.49Å; R594-G598 VanDerWaalsContact CD-O 3.3Å; R594-G598 WeakPolarHBondContact CD-O 3.31Å; R594-G598 PolarHBondContact NH1-O 2.92Å; D595-G598 PolarHBondContact O-N 3.35Å; D595-G598 PolarHBondContact OD1-N 3.31Å
599R82.3Confident82.8Confident158 Ų15871.2 Ų71.260%0.59636%0.357SS*.  trans-85.6142177.8-44.1170.9173.9-169.5-2.6109.7R594 D595 E597 L601R594-R599 WeakPolarHBondContact CA-O 3.42Å; R594-R599 WeakPolarHBondContact CB-O 3.36Å; D595-R599 PolarHBondContact N-O 3.4Å; D595-R599 PolarHBondContact OD1-N 2.98Å; D595-R599 WeakPolarHBondContact OD2-CB 3.28Å; E597-R599 HydrophobicContact CB-CG 4.24Å; R599-L601 PolarHBondContact O-N 3.41Å
600P88.6Confident82.5Confident6 Ų674.4 Ų74.44%0.03936%0.362CS..BIsolated β-bridgetrans-60.6133174.4-24.535.7000111.5I592 D602 D605 R606 E609I592-P600 HydrophobicContact CD1-CB 3.97Å; I592-P600 HydrophobicContact CD1-CG 3.8Å; P600-D602 VanDerWaalsContact C-N 3.32Å; P600-D605 HydrophobicContact CB-CB 4.34Å; P600-R606 HydrophobicContact CB-CB 4.24Å; P600-R606 HydrophobicContact CG-CB 4.47Å; P600-R606 PolarHBondContact O-NE 2.73Å; P600-R606 VanDerWaalsContact O-NE 3.1Å; P600-R606 PolarHBondContact O-NH2 3.13Å; P600-E609 HydrophobicContact CG-CG 4.38Å; P600-E609 WeakPolarHBondContact CG-OE2 3.39Å
601L81.3Confident82.3Confident103 Ų10374.6 Ų74.654%0.53936%0.359SS..SBendtrans-67.9-36.9172.9-61.6-175.2000111.1P593 D595 R599P593-L601 HydrophobicContact CB-CD1 4.17Å; P593-L601 PolarHBondContact O-N 3.05Å; D595-L601 HydrophobicContact CB-CD2 3.99Å; R599-L601 PolarHBondContact O-N 3.41Å
602D83Confident81.8Confident69 Ų6982 Ų8237%0.36939%0.385SS..SBendtrans-74.2127.2178-173.2-42.8000111.5P600 E604 D605 R606P600-D602 VanDerWaalsContact C-N 3.32Å; D602-E604 WeakPolarHBondContact OD1-CA 3.36Å; D602-E604 WeakPolarHBondContact OD1-CB 3.15Å; D602-E604 PolarHBondContact OD1-N 3.42Å; D602-D605 HydrophobicContact CB-CB 4.37Å; D602-D605 PolarHBondContact OD1-N 2.98Å; D602-R606 WeakPolarHBondContact O-CB 3.48Å; D602-R606 PolarHBondContact O-N 3.16Å
603P81.5Confident81Confident97 Ų9786.5 Ų86.563%0.6341%0.406SS*.Hα-helixtrans-68.1-29.9179.428.7-35.2000114.1A607P603-A607 WeakPolarHBondContact O-CB 3.43Å; P603-A607 PolarHBondContact O-N 2.76Å
604E82.2Confident80.5Confident135 Ų13587 Ų8763%0.63140%0.403SS*.Hα-helixtrans-67.7-46.8176.7-71.9-157.617800111.3D602 R606 A607 R608D602-E604 WeakPolarHBondContact OD1-CA 3.36Å; D602-E604 WeakPolarHBondContact OD1-CB 3.15Å; D602-E604 PolarHBondContact OD1-N 3.42Å; E604-R606 VanDerWaalsContact C-N 3.34Å; E604-A607 CarbonylContact O-C 3.57Å; E604-A607 PolarHBondContact O-N 3.06Å; E604-R608 WeakPolarHBondContact O-CB 3.13Å; E604-R608 PolarHBondContact O-N 3.01Å
605D83Confident79.6Confident16 Ų1692 Ų929%0.08643%0.427CS..Hα-helixtrans-69.9-33178.1-82.2-18.7000111.1I592 P600 D602 R608 E609I592-D605 HydrophobicContact CD1-CB 3.87Å; I592-D605 VanDerWaalsContact CG2-OD2 3.31Å; I592-D605 WeakPolarHBondContact CG2-OD2 3.43Å; P600-D605 HydrophobicContact CB-CB 4.34Å; D602-D605 HydrophobicContact CB-CB 4.37Å; D602-D605 PolarHBondContact OD1-N 2.98Å; D605-R608 WeakPolarHBondContact O-CB 3.45Å; D605-R608 PolarHBondContact O-N 3.42Å; D605-R608 VanDerWaalsContact O-N 3.16Å; D605-R608 IonicContact OD1-CZ 2.72Å; D605-R608 IonicContact OD1-NE 2.74Å; D605-R608 PolarHBondContact OD1-NE 2.95Å; D605-R608 IonicContact OD1-NH2 3.35Å; D605-R608 PolarHBondContact OD1-NH2 3.01Å; D605-E609 WeakPolarHBondContact O-CG 3.24Å; D605-E609 PolarHBondContact O-N 3.35Å
606R81.6Confident78.7Confident100 Ų10098.3 Ų98.338%0.37745%0.453SS..Hα-helixtrans-57.9-48.2168.6-168.3179.9-61.8177.31.3111.7P600 D602 E604 R608 E609 Q610P600-R606 HydrophobicContact CB-CB 4.24Å; P600-R606 HydrophobicContact CG-CB 4.47Å; P600-R606 PolarHBondContact O-NE 2.73Å; P600-R606 VanDerWaalsContact O-NE 3.1Å; P600-R606 PolarHBondContact O-NH2 3.13Å; D602-R606 WeakPolarHBondContact O-CB 3.48Å; D602-R606 PolarHBondContact O-N 3.16Å; E604-R606 VanDerWaalsContact C-N 3.34Å; R606-R608 VanDerWaalsContact C-N 3.31Å; R606-R608 PolarHBondContact O-N 2.79Å; R606-E609 PolarHBondContact O-N 3Å; R606-Q610 WeakPolarHBondContact O-CG 3.5Å; R606-Q610 PolarHBondContact O-N 3.36Å
607A83.4Confident77.5Confident28 Ų28100 Ų10023%0.23146%0.457CS..Hα-helixtrans-67.7-30.2175.200000112.5P603 E604 R611P603-A607 WeakPolarHBondContact O-CB 3.43Å; P603-A607 PolarHBondContact O-N 2.76Å; E604-A607 CarbonylContact O-C 3.57Å; E604-A607 PolarHBondContact O-N 3.06Å; A607-R611 VanDerWaalsContact C-NH2 3.35Å; A607-R611 VanDerWaalsContact CB-NH2 3.32Å; A607-R611 WeakPolarHBondContact O-CB 3.49Å; A607-R611 WeakPolarHBondContact O-CG 3.42Å; A607-R611 PolarHBondContact O-N 3.16Å; A607-R611 PolarHBondContact O-NE 3.25Å
608R81.6Confident76.4Confident121 Ų121101 Ų10146%0.45746%0.462SS..Hα-helixtrans-66.5-41.5173.6-160.2-168.8-48.2-76-6.5111.6E604 D605 R606 R612E604-R608 WeakPolarHBondContact O-CB 3.13Å; E604-R608 PolarHBondContact O-N 3.01Å; D605-R608 WeakPolarHBondContact O-CB 3.45Å; D605-R608 PolarHBondContact O-N 3.42Å; D605-R608 VanDerWaalsContact O-N 3.16Å; D605-R608 IonicContact OD1-CZ 2.72Å; D605-R608 IonicContact OD1-NE 2.74Å; D605-R608 PolarHBondContact OD1-NE 2.95Å; D605-R608 IonicContact OD1-NH2 3.35Å; D605-R608 PolarHBondContact OD1-NH2 3.01Å; R606-R608 VanDerWaalsContact C-N 3.31Å; R606-R608 PolarHBondContact O-N 2.79Å; R608-R612 WeakPolarHBondContact O-CG 3.47Å; R608-R612 PolarHBondContact O-N 3.05Å
609E79.3Confident75.1Confident53 Ų53108.6 Ų108.625%0.24849%0.49CS..Hα-helixtrans-70.9-42.8175.6-67.2-155.6132.900111.9R594 P600 D605 R606 R611 R612 Q613R594-E609 IonicContact CZ-OE1 3.27Å; R594-E609 IonicContact CZ-OE2 3.73Å; R594-E609 IonicContact NH1-OE1 2.64Å; R594-E609 IonicContact NH1-OE2 2.67Å; R594-E609 PolarHBondContact NH1-OE2 3.48Å; R594-E609 VanDerWaalsContact NH2-CD 3.32Å; R594-E609 IonicContact NH2-OE1 3.23Å; R594-E609 PolarHBondContact NH2-OE1 2.97Å; R594-E609 IonicContact NH2-OE2 3.41Å; R594-E609 PolarHBondContact NH2-OE2 3.4Å; P600-E609 HydrophobicContact CG-CG 4.38Å; P600-E609 WeakPolarHBondContact CG-OE2 3.39Å; D605-E609 WeakPolarHBondContact O-CG 3.24Å; D605-E609 PolarHBondContact O-N 3.35Å; R606-E609 PolarHBondContact O-N 3Å; E609-R611 PolarHBondContact O-N 3.03Å; E609-R612 CarbonylContact O-C 3.49Å; E609-R612 WeakPolarHBondContact O-CA 3.37Å; E609-R612 WeakPolarHBondContact O-CB 3.49Å; E609-R612 PolarHBondContact O-N 2.86Å; E609-R612 VanDerWaalsContact O-N 3.1Å; E609-Q613 WeakPolarHBondContact O-CG 3.45Å; E609-Q613 PolarHBondContact O-N 3.09Å
610Q77.9Confident74.1Confident106 Ų106103.7 Ų103.750%0.49548%0.478SS..Hα-helixtrans-58.2-47.2175.4-74.8171.6-24.800112.1R606 R612 Q613 L614R606-Q610 WeakPolarHBondContact O-CG 3.5Å; R606-Q610 PolarHBondContact O-N 3.36Å; Q610-R612 VanDerWaalsContact C-N 3.28Å; Q610-R612 PolarHBondContact O-N 3.18Å; Q610-Q613 PolarHBondContact O-N 3.22Å; Q610-Q613 VanDerWaalsContact O-N 3.11Å; Q610-L614 WeakPolarHBondContact O-CG 3.43Å; Q610-L614 PolarHBondContact O-N 3.31Å
611R80.1Confident72.5Confident146 Ų146112.4 Ų112.455%0.55152%0.518SS*.Hα-helixtrans-59.8-36.3174.5-76173.6-72.9-137.83.7112.7A607 E609 Q615A607-R611 VanDerWaalsContact C-NH2 3.35Å; A607-R611 VanDerWaalsContact CB-NH2 3.32Å; A607-R611 WeakPolarHBondContact O-CB 3.49Å; A607-R611 WeakPolarHBondContact O-CG 3.42Å; A607-R611 PolarHBondContact O-N 3.16Å; A607-R611 PolarHBondContact O-NE 3.25Å; E609-R611 PolarHBondContact O-N 3.03Å; R611-Q615 WeakPolarHBondContact O-CB 3.44Å; R611-Q615 WeakPolarHBondContact O-CG 3.23Å; R611-Q615 PolarHBondContact O-N 3.5Å; R611-Q615 VanDerWaalsContact O-N 3.12Å
612R74.8Confident71.6Confident179 Ų179115.5 Ų115.568%0.67552%0.523SS*.Hα-helixtrans-71.9-30.5174.3-80.3176.4164.2-94.5-3.5113.7R608 E609 Q610 K616R608-R612 WeakPolarHBondContact O-CG 3.47Å; R608-R612 PolarHBondContact O-N 3.05Å; E609-R612 CarbonylContact O-C 3.49Å; E609-R612 WeakPolarHBondContact O-CA 3.37Å; E609-R612 WeakPolarHBondContact O-CB 3.49Å; E609-R612 PolarHBondContact O-N 2.86Å; E609-R612 VanDerWaalsContact O-N 3.1Å; Q610-R612 VanDerWaalsContact C-N 3.28Å; Q610-R612 PolarHBondContact O-N 3.18Å; R612-K616 WeakPolarHBondContact O-CB 3.35Å; R612-K616 PolarHBondContact O-N 2.88Å
613Q70.1Confident70.4Confident109 Ų109116.3 Ų116.351%0.50953%0.525SS..Hα-helixtrans-72.8-44.3174.7-73.1176.3-0.600110.9E609 Q610 K616 Q617E609-Q613 WeakPolarHBondContact O-CG 3.45Å; E609-Q613 PolarHBondContact O-N 3.09Å; Q610-Q613 PolarHBondContact O-N 3.22Å; Q610-Q613 VanDerWaalsContact O-N 3.11Å; Q613-K616 CarbonylContact O-C 3.56Å; Q613-K616 WeakPolarHBondContact O-CA 3.38Å; Q613-K616 WeakPolarHBondContact O-CB 3.34Å; Q613-K616 PolarHBondContact O-N 3.05Å; Q613-Q617 PolarHBondContact O-N 3.45Å
614L72.6Confident69.6Low96 Ų96115.5 Ų115.550%0.50352%0.515SS..Hα-helixtrans-57.7-52.5174.5-69.3167.2000111.2Q610 K616 Q617 E618Q610-L614 WeakPolarHBondContact O-CG 3.43Å; Q610-L614 PolarHBondContact O-N 3.31Å; L614-K616 PolarHBondContact O-N 3.24Å; L614-Q617 PolarHBondContact O-N 3.49Å; L614-E618 WeakPolarHBondContact O-CG 3.26Å; L614-E618 PolarHBondContact O-N 2.66Å
615Q66.4Low68.8Low122 Ų122111 Ų11157%0.5750%0.498SS*.Hα-helixtrans-60.5-9.5174.8-73.3-179.8-8.900115.4R611 R619R611-Q615 WeakPolarHBondContact O-CB 3.44Å; R611-Q615 WeakPolarHBondContact O-CG 3.23Å; R611-Q615 PolarHBondContact O-N 3.5Å; R611-Q615 VanDerWaalsContact O-N 3.12Å; Q615-R619 PolarHBondContact O-NE 2.91Å
616K62.6Low67.9Low171 Ų171116.5 Ų116.574%0.74352%0.523SS*.Hα-helixtrans-101.4-24.5174.3-160.8-178.4-179.9-168.60112.5R612 Q613 L614R612-K616 WeakPolarHBondContact O-CB 3.35Å; R612-K616 PolarHBondContact O-N 2.88Å; Q613-K616 CarbonylContact O-C 3.56Å; Q613-K616 WeakPolarHBondContact O-CA 3.38Å; Q613-K616 WeakPolarHBondContact O-CB 3.34Å; Q613-K616 PolarHBondContact O-N 3.05Å; L614-K616 PolarHBondContact O-N 3.24Å
617Q56.7Low67.4Low157 Ų157115.9 Ų115.973%0.73453%0.526SS*.Hα-helixtrans-86.9-29.1172.4-69.7-1780.200112.7Q613 L614 R619Q613-Q617 PolarHBondContact O-N 3.45Å; L614-Q617 PolarHBondContact O-N 3.49Å; Q617-R619 PolarHBondContact O-N 3.05Å
618E53.5Low66.9Low147 Ų147115.4 Ų115.469%0.68752%0.52SS*.SBendtrans-66.50.5175-72.7174.4145.800114.1L614 P620L614-E618 WeakPolarHBondContact O-CG 3.26Å; L614-E618 PolarHBondContact O-N 2.66Å; E618-P620 WeakPolarHBondContact O-CD 3.46Å
619R55.2Low66.4Low162 Ų162114.8 Ų114.861%0.61152%0.517SS*.SBendtrans-99.4112.5176.9-63.2-177.4-176.5-138.7-5.6109.6Q615 Q617Q615-R619 PolarHBondContact O-NE 2.91Å; Q617-R619 PolarHBondContact O-N 3.05Å
620P60.9Low65.8Low55 Ų55117 Ų11736%0.35753%0.531SS..  trans-60.5139.5171.9-21.333.5000110.8E618 W622 Q623E618-P620 WeakPolarHBondContact O-CD 3.46Å; P620-W622 VanDerWaalsContact CB-CD1 3.44Å; P620-W622 HydrophobicContact CB-CG 4.21Å; P620-W622 VanDerWaalsContact CB-NE1 3.3Å; P620-W622 PolarHBondContact O-N 2.95Å; P620-Q623 PolarHBondContact O-N 2.91Å
621E55.6Low65.5Low188 Ų188114.7 Ų114.788%0.87952%0.524SS*.G310 helixtrans-58.7-25.3-177-65.3-173.112400113.5Q623 D624E621-Q623 PolarHBondContact O-N 3.45Å; E621-D624 PolarHBondContact O-N 3.44Å
622W62.3Low65.5Low169 Ų169109.1 Ų109.164%0.6450%0.504SS*.G310 helixtrans-69.3-12176.167.9-99.1000114.4P620P620-W622 VanDerWaalsContact CB-CD1 3.44Å; P620-W622 HydrophobicContact CB-CG 4.21Å; P620-W622 VanDerWaalsContact CB-NE1 3.3Å; P620-W622 PolarHBondContact O-N 2.95Å
623Q56.1Low65.3Low86 Ų86104.8 Ų104.840%0.40251%0.506SS..G310 helixtrans-94.724.1176.7-63.6-171.4-8.100113.5P620 E621 P625P620-Q623 PolarHBondContact O-N 2.91Å; E621-Q623 PolarHBondContact O-N 3.45Å; Q623-P625 VanDerWaalsContact O-CD 3.31Å; Q623-P625 WeakPolarHBondContact O-CD 3.23Å
624D65.9Low65.3Low79 Ų79103.7 Ų103.742%0.42252%0.516SS..  trans-64.2121171-178.3-8.9000110.9E621 E626 L627 M628E621-D624 PolarHBondContact O-N 3.44Å; D624-E626 PolarHBondContact O-N 2.79Å; D624-E626 VanDerWaalsContact O-N 3.13Å; D624-E626 PolarHBondContact OD1-N 3.15Å; D624-L627 HydrophobicContact CB-CB 3.94Å; D624-L627 PolarHBondContact O-N 3.36Å; D624-L627 VanDerWaalsContact O-N 3.12Å; D624-M628 WeakPolarHBondContact O-CG 3.37Å; D624-M628 PolarHBondContact O-N 3.45Å
625P64.3Low65Low42 Ų42103.1 Ų103.127%0.27352%0.517SS..THydrogen-bonded Turntrans-63.3-10.9177-22.535000115.7Q623 R629Q623-P625 VanDerWaalsContact O-CD 3.31Å; Q623-P625 WeakPolarHBondContact O-CD 3.23Å; P625-R629 VanDerWaalsContact O-CZ 3.26Å; P625-R629 PolarHBondContact O-NE 2.88Å; P625-R629 PolarHBondContact O-NH2 3.46Å
626E65.8Low65Low130 Ų130100.7 Ų100.761%0.60753%0.525SS*.THydrogen-bonded Turntrans-84.1-47.1165.6-78-169.5176.300111.8D624 M628 R629 D630D624-E626 PolarHBondContact O-N 2.79Å; D624-E626 VanDerWaalsContact O-N 3.13Å; D624-E626 PolarHBondContact OD1-N 3.15Å; E626-M628 PolarHBondContact O-N 3.4Å; E626-R629 PolarHBondContact O-N 2.96Å; E626-R629 VanDerWaalsContact O-N 3.16Å; E626-R629 IonicContact OE1-NH2 3.29Å; E626-D630 PolarHBondContact O-N 3.12Å
627L70.3Confident64.9Low87 Ų8799.1 Ų99.146%0.45552%0.52SS..Hα-helixtrans-59-44.5176.4-176.262.5000112.1D624 R629 D630 V631D624-L627 HydrophobicContact CB-CB 3.94Å; D624-L627 PolarHBondContact O-N 3.36Å; D624-L627 VanDerWaalsContact O-N 3.12Å; L627-R629 VanDerWaalsContact C-N 3.31Å; L627-R629 PolarHBondContact O-N 3.42Å; L627-D630 PolarHBondContact O-N 3.1Å; L627-V631 WeakPolarHBondContact O-CG2 3.43Å; L627-V631 PolarHBondContact O-N 2.72Å
628M72.2Confident65.7Low19 Ų1997.2 Ų97.29%0.09452%0.515CS..Hα-helixtrans-62.6-36.7177.9-64-157.5-5100112D624 E626 V631 E632 L639D624-M628 WeakPolarHBondContact O-CG 3.37Å; D624-M628 PolarHBondContact O-N 3.45Å; E626-M628 PolarHBondContact O-N 3.4Å; M628-V631 PolarHBondContact O-N 3.46Å; M628-E632 VanDerWaalsContact O-CB 3.3Å; M628-E632 WeakPolarHBondContact O-CB 3.44Å; M628-E632 WeakPolarHBondContact O-CG 3.4Å; M628-E632 PolarHBondContact O-N 2.9Å; M628-L639 HydrophobicContact SD-CB 4.38Å
629R70.8Confident66.3Low107 Ų10794.7 Ų94.740%0.40451%0.506SS..Hα-helixtrans-66.4-40.6174.4-87.3179.8-76.8145.20.5113P625 E626 L627 V631 A633 S641P625-R629 VanDerWaalsContact O-CZ 3.26Å; P625-R629 PolarHBondContact O-NE 2.88Å; P625-R629 PolarHBondContact O-NH2 3.46Å; E626-R629 PolarHBondContact O-N 2.96Å; E626-R629 VanDerWaalsContact O-N 3.16Å; E626-R629 IonicContact OE1-NH2 3.29Å; L627-R629 VanDerWaalsContact C-N 3.31Å; L627-R629 PolarHBondContact O-N 3.42Å; R629-V631 VanDerWaalsContact C-N 3.32Å; R629-A633 WeakPolarHBondContact O-CB 3.38Å; R629-A633 PolarHBondContact O-N 3.01Å; R629-S641 WeakPolarHBondContact CG-OG 3.48Å
630D68.3Low66.8Low100 Ų10087.4 Ų87.454%0.53548%0.481SS..Hα-helixtrans-69.1-31177.2-90.8-13.9000111.5E626 L627 A634E626-D630 PolarHBondContact O-N 3.12Å; L627-D630 PolarHBondContact O-N 3.1Å; D630-A634 WeakPolarHBondContact O-CB 3.46Å; D630-A634 PolarHBondContact O-N 2.99Å
631V71.6Confident67.1Low57 Ų5785.1 Ų85.135%0.34547%0.466SS..Hα-helixtrans-71.6-51.6171.1175.30000111.4L627 M628 R629 A633 A634 T635 L639L627-V631 WeakPolarHBondContact O-CG2 3.43Å; L627-V631 PolarHBondContact O-N 2.72Å; M628-V631 PolarHBondContact O-N 3.46Å; R629-V631 VanDerWaalsContact C-N 3.32Å; V631-A633 PolarHBondContact O-N 3.27Å; V631-A634 WeakPolarHBondContact O-CA 3.43Å; V631-A634 PolarHBondContact O-N 3.26Å; V631-T635 HydrophobicContact CG1-CG2 4.25Å; V631-T635 PolarHBondContact O-N 3.4Å; V631-T635 PolarHBondContact O-OG1 3.32Å; V631-T635 VanDerWaalsContact O-OG1 3.11Å; V631-L639 HydrophobicContact CB-CD1 4.19Å; V631-L639 HydrophobicContact CG1-CD1 3.68Å
632E79.5Confident67.2Low29 Ų2979.5 Ų79.514%0.13645%0.447CS..Hα-helixtrans-53-41.7176.1-74164.3-177.100111.7M628 A634 G636 Q637 L639 G640 S641M628-E632 VanDerWaalsContact O-CB 3.3Å; M628-E632 WeakPolarHBondContact O-CB 3.44Å; M628-E632 WeakPolarHBondContact O-CG 3.4Å; M628-E632 PolarHBondContact O-N 2.9Å; E632-A634 VanDerWaalsContact C-N 3.3Å; E632-A634 PolarHBondContact O-N 2.75Å; E632-G636 VanDerWaalsContact O-CA 3.27Å; E632-G636 WeakPolarHBondContact O-CA 3.48Å; E632-G636 PolarHBondContact O-N 2.97Å; E632-Q637 WeakPolarHBondContact CG-O 3.34Å; E632-L639 HydrophobicContact CG-CB 4Å; E632-L639 HydrophobicContact CG-CD1 4.49Å; E632-L639 HydrophobicContact CG-CG 4.06Å; E632-L639 WeakPolarHBondContact OE1-CA 3.5Å; E632-L639 WeakPolarHBondContact OE1-CB 3.4Å; E632-L639 PolarHBondContact OE1-N 2.94Å; E632-G640 PolarHBondContact OE1-N 3.21Å; E632-G640 VanDerWaalsContact OE1-N 3.17Å; E632-S641 VanDerWaalsContact CD-OG 3.28Å; E632-S641 WeakPolarHBondContact OE1-CB 3.47Å; E632-S641 PolarHBondContact OE1-N 3.2Å; E632-S641 PolarHBondContact OE1-OG 3.17Å; E632-S641 VanDerWaalsContact OE2-CB 3.27Å; E632-S641 WeakPolarHBondContact OE2-CB 3.49Å; E632-S641 PolarHBondContact OE2-OG 3.06Å
633A71Confident67Low88 Ų8881.6 Ų81.673%0.72746%0.455SS*.Hα-helixtrans-73.2-17.3177.600000114.2R629 V631R629-A633 WeakPolarHBondContact O-CB 3.38Å; R629-A633 PolarHBondContact O-N 3.01Å; V631-A633 PolarHBondContact O-N 3.27Å
634A69.1Low66.9Low87 Ų8784.7 Ų84.772%0.71946%0.464SS*.Hα-helixtrans-97.5-33.8178.600000113.2D630 V631 E632D630-A634 WeakPolarHBondContact O-CB 3.46Å; D630-A634 PolarHBondContact O-N 2.99Å; V631-A634 WeakPolarHBondContact O-CA 3.43Å; V631-A634 PolarHBondContact O-N 3.26Å; E632-A634 VanDerWaalsContact C-N 3.3Å; E632-A634 PolarHBondContact O-N 2.75Å
635T67Low66Low84 Ų8484.4 Ų84.452%0.51547%0.469SS..Hα-helixtrans-101.6-17.7-179.463.40000113.8V631 Q637V631-T635 HydrophobicContact CG1-CG2 4.25Å; V631-T635 PolarHBondContact O-N 3.4Å; V631-T635 PolarHBondContact O-OG1 3.32Å; V631-T635 VanDerWaalsContact O-OG1 3.11Å; T635-Q637 VanDerWaalsContact C-N 3.29Å; T635-Q637 PolarHBondContact O-N 2.95Å
636G66.4Low65.2Low71 Ų7185.7 Ų85.773%0.73249%0.489SS*.  trans75.69.4-178.600000115.1E632E632-G636 VanDerWaalsContact O-CA 3.27Å; E632-G636 WeakPolarHBondContact O-CA 3.48Å; E632-G636 PolarHBondContact O-N 2.97Å
637Q61.3Low64Low137 Ų13789.9 Ų89.964%0.6451%0.505SS*.  trans-109.3127.4-179.3-63.1-179.4-2.600110.3E632 T635 L639E632-Q637 WeakPolarHBondContact CG-O 3.34Å; T635-Q637 VanDerWaalsContact C-N 3.29Å; T635-Q637 PolarHBondContact O-N 2.95Å; Q637-L639 PolarHBondContact O-N 3.02Å
638D72.1Confident62.5Low118 Ų11889 Ų8963%0.63152%0.518SS*.  trans-71119.1-179.8-175.411.1000111.2G640D638-G640 WeakPolarHBondContact OD1-CA 3.45Å; D638-G640 PolarHBondContact OD1-N 3.19Å
639L67.6Low61.2Low94 Ų94100 Ų10049%0.49256%0.558SS.*  trans-100.34.6176-58.8178.9000111.7M628 V631 E632 Q637M628-L639 HydrophobicContact SD-CB 4.38Å; V631-L639 HydrophobicContact CB-CD1 4.19Å; V631-L639 HydrophobicContact CG1-CD1 3.68Å; E632-L639 HydrophobicContact CG-CB 4Å; E632-L639 HydrophobicContact CG-CD1 4.49Å; E632-L639 HydrophobicContact CG-CG 4.06Å; E632-L639 WeakPolarHBondContact OE1-CA 3.5Å; E632-L639 WeakPolarHBondContact OE1-CB 3.4Å; E632-L639 PolarHBondContact OE1-N 2.94Å; Q637-L639 PolarHBondContact O-N 3.02Å
640G65.9Low60.2Low9 Ų998 Ų989%0.09357%0.571CS.*SBendtrans9113.7174.800000114.9E632 D638 S642 R643E632-G640 PolarHBondContact OE1-N 3.21Å; E632-G640 VanDerWaalsContact OE1-N 3.17Å; D638-G640 WeakPolarHBondContact OD1-CA 3.45Å; D638-G640 PolarHBondContact OD1-N 3.19Å; G640-S642 PolarHBondContact O-N 3.04Å; G640-S642 VanDerWaalsContact O-N 3.12Å; G640-R643 WeakPolarHBondContact O-CB 3.49Å; G640-R643 WeakPolarHBondContact O-CG 3.49Å; G640-R643 PolarHBondContact O-N 2.82Å
641S65.5Low59.2Low6 Ų6103.3 Ų103.34%0.04259%0.589CS.*G310 helixtrans-55.6-31.6177.381.30000112.7R629 E632 R643 Y644R629-S641 WeakPolarHBondContact CG-OG 3.48Å; E632-S641 VanDerWaalsContact CD-OG 3.28Å; E632-S641 WeakPolarHBondContact OE1-CB 3.47Å; E632-S641 PolarHBondContact OE1-N 3.2Å; E632-S641 PolarHBondContact OE1-OG 3.17Å; E632-S641 VanDerWaalsContact OE2-CB 3.27Å; E632-S641 WeakPolarHBondContact OE2-CB 3.49Å; E632-S641 PolarHBondContact OE2-OG 3.06Å; S641-R643 PolarHBondContact O-N 3.49Å; S641-R643 VanDerWaalsContact O-N 3.12Å; S641-Y644 PolarHBondContact O-N 3.17Å
642S59Low58.3Low70 Ų70110.1 Ų110.149%0.4961%0.614SS.*G310 helixtrans-52.6-29.9175.760.80000113.5G640 Y644 S645G640-S642 PolarHBondContact O-N 3.04Å; G640-S642 VanDerWaalsContact O-N 3.12Å; S642-Y644 VanDerWaalsContact C-N 3.27Å; S642-Y644 PolarHBondContact O-N 3.19Å; S642-S645 PolarHBondContact O-N 3.41Å
643R57.4Low57.3Low213 Ų213117.5 Ų117.580%0.80464%0.641SS**G310 helixtrans-69.8-21.3-179.6-58.8-178.9-175.9-163.82.1113.6G640 S641G640-R643 WeakPolarHBondContact O-CB 3.49Å; G640-R643 WeakPolarHBondContact O-CG 3.49Å; G640-R643 PolarHBondContact O-N 2.82Å; S641-R643 PolarHBondContact O-N 3.49Å; S641-R643 VanDerWaalsContact O-N 3.12Å
644Y54.3Low56.5Low152 Ų152124.2 Ų124.260%0.59665%0.647SS**G310 helixtrans-103.6-8-177.4-58.6-78.6000113.2S641 S642S641-Y644 PolarHBondContact O-N 3.17Å; S642-Y644 VanDerWaalsContact C-N 3.27Å; S642-Y644 PolarHBondContact O-N 3.19Å
645S46.8Very low56.2Low73 Ų73128 Ų12851%0.5164%0.644SS.*  trans-97.8101.8180-169.70000111.2S642S642-S645 PolarHBondContact O-N 3.41Å
646G46.5Very low56Low69 Ų69129.6 Ų129.671%0.71166%0.656SS**  trans-57.6141.1166.600000110.5G648G646-G648 VanDerWaalsContact C-N 3.3Å; G646-G648 PolarHBondContact O-N 2.89Å
647K41.5Very low56Low217 Ų217131.5 Ų131.594%0.94366%0.658SS**  trans-58.874.6-166.5-70.6-179.5175.8174.20115.5R649K647-R649 PolarHBondContact O-N 2.84Å
648G39.3Very low56.2Low69 Ų69131 Ų13171%0.71166%0.659SS**  trans-70.6121.9166.700000110.6G646 G650G646-G648 VanDerWaalsContact C-N 3.3Å; G646-G648 PolarHBondContact O-N 2.89Å; G648-G650 VanDerWaalsContact C-N 3.33Å; G648-G650 PolarHBondContact O-N 3.34Å
649R45.1Very low55.8Low251 Ų251131.3 Ų131.395%0.94767%0.666SS**  trans-69.986.3174-76.4-176.3172.8-176.6-1.2110.5K647 K651K647-R649 PolarHBondContact O-N 2.84Å; R649-K651 PolarHBondContact O-N 3.13Å
650G48.7Very low55.5Low65 Ų65130.9 Ų130.967%0.6766%0.664SS**PPolyproline II helixtrans-55.6130.716500000110.2G648 K652G648-G650 VanDerWaalsContact C-N 3.33Å; G648-G650 PolarHBondContact O-N 3.34Å; G650-K652 PolarHBondContact O-N 3.01Å; G650-K652 VanDerWaalsContact O-N 3.1Å
651K47.9Very low55.6Low210 Ų210136.9 Ų136.991%0.91369%0.693SS**PPolyproline II helixtrans-58.5116.3179.8-72.1-176.5176.4-179.30109.3R649 R653R649-K651 PolarHBondContact O-N 3.13Å; K651-R653 PolarHBondContact O-N 3.25Å
652K51.7Low55.4Low200 Ų200145 Ų14587%0.8773%0.728SS**PPolyproline II helixtrans-54.9135.6171.5-76.1-172.2174.8-175.60109G650 R654G650-K652 PolarHBondContact O-N 3.01Å; G650-K652 VanDerWaalsContact O-N 3.1Å; K652-R654 PolarHBondContact O-N 2.96Å
653R58.7Low55.5Low185 Ų185144 Ų14470%0.69872%0.724SS**PPolyproline II helixtrans-60.9132171.6-69-177.6174-175.8-1108.4K651 Y655K651-R653 PolarHBondContact O-N 3.25Å; R653-Y655 PolarHBondContact O-N 2.87Å; R653-Y655 VanDerWaalsContact O-N 3.17Å
654R55.6Low55.6Low229 Ų229141.7 Ų141.786%0.86472%0.722SS**SBendtrans-58.4-28.6-177.4-78.7-172.9171.6-178.9-3.6113.1K652K652-R654 PolarHBondContact O-N 2.96Å
655Y61.5Low56Low165 Ų165137.7 Ų137.765%0.64772%0.72SS**  trans-132.2105.7175.5-52-75.5000109.2R653 L658R653-Y655 PolarHBondContact O-N 2.87Å; R653-Y655 VanDerWaalsContact O-N 3.17Å; Y655-L658 HydrophobicContact CG-CD1 4.33Å
656P62.9Low57Low118 Ų118137.5 Ų137.577%0.76671%0.714SS**SBendtrans-74.9-27-179.7-20.334000114.3
657S65.8Low58.7Low112 Ų112137.8 Ų137.878%0.78370%0.702SS**SBendtrans-952.5-167.344.50000115.4
658L67.2Low60.3Low125 Ų125130.3 Ų130.365%0.65468%0.681SS**SBendtrans-103.6124.8179.6-69.3174.3000111.3Y655 N660Y655-L658 HydrophobicContact CG-CD1 4.33Å; L658-N660 PolarHBondContact O-N 3.03Å
659T63Low62.2Low126 Ų126137.7 Ų137.777%0.77369%0.687SS**  trans-64.3104.5176.2-55.10000110.8L661T659-L661 PolarHBondContact O-N 3.33Å
660N61.6Low63.8Low85 Ų85127.3 Ų127.346%0.45566%0.655SS.*  trans-76.495.7-179.6-174.9-11000110.8L658 K662 A663L658-N660 PolarHBondContact O-N 3.03Å; N660-K662 PolarHBondContact O-N 3.4Å; N660-K662 VanDerWaalsContact O-N 3.12Å; N660-K662 WeakPolarHBondContact OD1-CB 3.25Å; N660-K662 PolarHBondContact OD1-N 3.21Å; N660-K662 VanDerWaalsContact OD1-N 3.08Å; N660-A663 HydrophobicContact CB-CB 4.38Å; N660-A663 WeakPolarHBondContact O-CB 3.32Å; N660-A663 PolarHBondContact O-N 3.03Å
661L67.1Low65.2Low134 Ų134129.8 Ų129.870%0.70264%0.644SS**G310 helixtrans-53.2-31.9178.3-60.4175.1000113.1T659 A663 Q664T659-L661 PolarHBondContact O-N 3.33Å; L661-A663 PolarHBondContact O-N 3.08Å; L661-Q664 PolarHBondContact O-N 3.42Å
662K61.1Low66.7Low177 Ų177124.9 Ų124.977%0.7763%0.626SS**G310 helixtrans-71.1-13.1177.9-60.1-175.9179.3-1800113.2N660 A665N660-K662 PolarHBondContact O-N 3.4Å; N660-K662 VanDerWaalsContact O-N 3.12Å; N660-K662 WeakPolarHBondContact OD1-CB 3.25Å; N660-K662 PolarHBondContact OD1-N 3.21Å; N660-K662 VanDerWaalsContact OD1-N 3.08Å; K662-A665 PolarHBondContact O-N 3Å
663A62.8Low68.2Low50 Ų50116.1 Ų116.141%0.41359%0.593SS.*G310 helixtrans-71.3-31.417600000112.9N660 L661 A665 D666N660-A663 HydrophobicContact CB-CB 4.38Å; N660-A663 WeakPolarHBondContact O-CB 3.32Å; N660-A663 PolarHBondContact O-N 3.03Å; L661-A663 PolarHBondContact O-N 3.08Å; A663-A665 PolarHBondContact O-N 3.46Å; A663-D666 PolarHBondContact O-N 3.33Å; A663-D666 VanDerWaalsContact O-N 3.08Å
664Q59.3Low69.3Low163 Ų163114.3 Ų114.376%0.76259%0.586SS**THydrogen-bonded Turntrans-63.7-26.8175.2-70.6179.7-20.200112.2L661L661-Q664 PolarHBondContact O-N 3.42Å
665A62.3Low70.5Confident68 Ų68111.5 Ų111.556%0.56258%0.58SS**THydrogen-bonded Turntrans-80.7-13.4175.100000114K662 A663 T667 A670K662-A665 PolarHBondContact O-N 3Å; A663-A665 PolarHBondContact O-N 3.46Å; A665-T667 PolarHBondContact O-N 3.24Å; A665-A670 WeakPolarHBondContact O-CB 3.4Å
666D67.9Low71.6Confident70 Ų70107.5 Ų107.537%0.37457%0.573SS.*  trans-8336.5-170.2-152.511000114.1A663 R671 R674A663-D666 PolarHBondContact O-N 3.33Å; A663-D666 VanDerWaalsContact O-N 3.08Å; D666-R671 PolarHBondContact O-NE 3.16Å; D666-R671 VanDerWaalsContact OD1-CG 3.31Å; D666-R671 WeakPolarHBondContact OD1-CG 3.33Å; D666-R674 IonicContact OD1-CZ 2.7Å; D666-R674 IonicContact OD1-NH1 3.16Å; D666-R674 PolarHBondContact OD1-NH1 2.72Å; D666-R674 IonicContact OD1-NH2 3.47Å; D666-R674 PolarHBondContact OD1-NH2 3.32Å
667T81.8Confident72.5Confident74 Ų74109.5 Ų109.545%0.45457%0.57SS.*  trans-57.1156.2-179.565.50000112.3A665 R669 A670 R671A665-T667 PolarHBondContact O-N 3.24Å; T667-R669 PolarHBondContact O-N 3.06Å; T667-A670 PolarHBondContact O-N 2.94Å; T667-A670 WeakPolarHBondContact OG1-CB 3.41Å; T667-A670 PolarHBondContact OG1-N 2.88Å; T667-A670 VanDerWaalsContact OG1-N 3.1Å; T667-R671 PolarHBondContact O-N 2.79Å
668A76.1Confident73.7Confident61 Ų61106 Ų10650%0.50455%0.548SS..Hα-helixtrans-53.4-40.7173.200000111.8A670 R671 I672A668-A670 PolarHBondContact O-N 3.26Å; A668-R671 PolarHBondContact O-N 2.82Å; A668-I672 WeakPolarHBondContact O-CB 3.26Å; A668-I672 VanDerWaalsContact O-CG1 3.29Å; A668-I672 WeakPolarHBondContact O-CG1 3.37Å; A668-I672 PolarHBondContact O-N 3.23Å
669R77.9Confident74.5Confident224 Ų224107.8 Ų107.885%0.84555%0.55SS**Hα-helixtrans-61.9-41.2175.5-168.2173.8-176.6169.40.8112.4T667 G673T667-R669 PolarHBondContact O-N 3.06Å; R669-G673 PolarHBondContact O-N 2.68Å
670A78.5Confident75.4Confident33 Ų33104.7 Ų104.727%0.27354%0.537SS..Hα-helixtrans-70.9-34175.700000113A665 T667 A668 R674A665-A670 WeakPolarHBondContact O-CB 3.4Å; T667-A670 PolarHBondContact O-N 2.94Å; T667-A670 WeakPolarHBondContact OG1-CB 3.41Å; T667-A670 PolarHBondContact OG1-N 2.88Å; T667-A670 VanDerWaalsContact OG1-N 3.1Å; A668-A670 PolarHBondContact O-N 3.26Å; A670-R674 PolarHBondContact O-N 3Å; A670-R674 VanDerWaalsContact O-N 3.16Å; A670-R674 PolarHBondContact O-NE 3.05Å; A670-R674 PolarHBondContact O-NH2 2.9Å
671R77.8Confident76.3Confident117 Ų117101.2 Ų101.244%0.44252%0.521SS..Hα-helixtrans-69.7-43.6174.1-75.2-172.5-89.7147.7-6.7111.9D666 T667 A668 R674 K675D666-R671 PolarHBondContact O-NE 3.16Å; D666-R671 VanDerWaalsContact OD1-CG 3.31Å; D666-R671 WeakPolarHBondContact OD1-CG 3.33Å; T667-R671 PolarHBondContact O-N 2.79Å; A668-R671 PolarHBondContact O-N 2.82Å; R671-R674 VanDerWaalsContact CG-NH2 3.33Å; R671-K675 PolarHBondContact O-N 3.04Å
672I81Confident77.1Confident106 Ų10698.2 Ų98.254%0.54451%0.508SS..Hα-helixtrans-64.7-45.9173.5-67.4165.6000110.4A668 R674 K675 V676A668-I672 WeakPolarHBondContact O-CB 3.26Å; A668-I672 VanDerWaalsContact O-CG1 3.29Å; A668-I672 WeakPolarHBondContact O-CG1 3.37Å; A668-I672 PolarHBondContact O-N 3.23Å; I672-R674 VanDerWaalsContact C-N 3.34Å; I672-R674 PolarHBondContact O-N 2.75Å; I672-K675 WeakPolarHBondContact O-CA 3.39Å; I672-K675 WeakPolarHBondContact O-CB 3.25Å; I672-K675 PolarHBondContact O-N 3.14Å; I672-V676 HydrophobicContact CG2-CG2 3.93Å; I672-V676 WeakPolarHBondContact O-CG2 3.35Å; I672-V676 PolarHBondContact O-N 3.41Å
673G81.9Confident78Confident17 Ų1797.5 Ų97.518%0.17550%0.5CS..Hα-helixtrans-54.6-45.6177.500000113R669 K675 V676 F677R669-G673 PolarHBondContact O-N 2.68Å; G673-K675 VanDerWaalsContact C-N 3.3Å; G673-K675 PolarHBondContact O-N 3.46Å; G673-V676 PolarHBondContact O-N 2.87Å; G673-F677 WeakPolarHBondContact O-CB 3.45Å; G673-F677 WeakPolarHBondContact O-CD2 3.49Å; G673-F677 PolarHBondContact O-N 3.43Å
674R82.6Confident78.9Confident146 Ų146103.5 Ų103.555%0.55151%0.512SS*.Hα-helixtrans-64.2-28.5175-81.2170.4-70.7174.51.7114D666 A670 R671 I672D666-R674 IonicContact OD1-CZ 2.7Å; D666-R674 IonicContact OD1-NH1 3.16Å; D666-R674 PolarHBondContact OD1-NH1 2.72Å; D666-R674 IonicContact OD1-NH2 3.47Å; D666-R674 PolarHBondContact OD1-NH2 3.32Å; A670-R674 PolarHBondContact O-N 3Å; A670-R674 VanDerWaalsContact O-N 3.16Å; A670-R674 PolarHBondContact O-NE 3.05Å; A670-R674 PolarHBondContact O-NH2 2.9Å; R671-R674 VanDerWaalsContact CG-NH2 3.33Å; I672-R674 VanDerWaalsContact C-N 3.34Å; I672-R674 PolarHBondContact O-N 2.75Å
675K81.1Confident80.1Confident170 Ų170100 Ų10074%0.73950%0.501SS*.Hα-helixtrans-77.5-42.2173.6-71.3-178.2176.8-178.50112.3R671 I672 G673R671-K675 PolarHBondContact O-N 3.04Å; I672-K675 WeakPolarHBondContact O-CA 3.39Å; I672-K675 WeakPolarHBondContact O-CB 3.25Å; I672-K675 PolarHBondContact O-N 3.14Å; G673-K675 VanDerWaalsContact C-N 3.3Å; G673-K675 PolarHBondContact O-N 3.46Å
676V83.6Confident81Confident82 Ų82102.3 Ų102.350%0.49750%0.502SS..Hα-helixtrans-76.9-47.5-175.7174.30000111.9I672 G673 A678I672-V676 HydrophobicContact CG2-CG2 3.93Å; I672-V676 WeakPolarHBondContact O-CG2 3.35Å; I672-V676 PolarHBondContact O-N 3.41Å; G673-V676 PolarHBondContact O-N 2.87Å; V676-A678 VanDerWaalsContact C-N 3.27Å; V676-A678 PolarHBondContact O-N 3.35Å
677F83.1Confident81.6Confident160 Ų160102.5 Ų102.570%0.70251%0.506SS*.SBendtrans-86.810.7-179.4-58.3-64.9000113.7G673 K679G673-F677 WeakPolarHBondContact O-CB 3.45Å; G673-F677 WeakPolarHBondContact O-CD2 3.49Å; G673-F677 PolarHBondContact O-N 3.43Å; F677-K679 PolarHBondContact O-N 2.88Å
678A89.6Confident81.5Confident38 Ų38101.2 Ų101.231%0.31450%0.503SS..  trans-56.5132.3171.200000110.2V676 A680 A681 V682V676-A678 VanDerWaalsContact C-N 3.27Å; V676-A678 PolarHBondContact O-N 3.35Å; A678-A680 PolarHBondContact O-N 2.99Å; A678-A681 HydrophobicContact CB-CB 4.12Å; A678-A681 WeakPolarHBondContact O-CA 3.46Å; A678-A681 WeakPolarHBondContact O-CB 3.34Å; A678-A681 PolarHBondContact O-N 2.91Å; A678-V682 PolarHBondContact O-N 2.8Å
679K84.8Confident81.6Confident162 Ų162104.1 Ų104.170%0.70451%0.508SS*.Hα-helixtrans-51.9-33.3-176.2-163.1171.3-173.2172.70113.1F677 R683F677-K679 PolarHBondContact O-N 2.88Å; K679-R683 WeakPolarHBondContact O-CB 3.43Å; K679-R683 WeakPolarHBondContact O-CD 3.33Å; K679-R683 WeakPolarHBondContact O-CG 3.38Å; K679-R683 PolarHBondContact O-N 2.76Å; K679-R683 VanDerWaalsContact O-N 3.17Å
680A82.1Confident81.4Confident61 Ų6197.9 Ų97.950%0.50449%0.491SS..Hα-helixtrans-73.9-38173.600000113.9A678 R684A678-A680 PolarHBondContact O-N 2.99Å; A680-R684 WeakPolarHBondContact O-CG 3.46Å; A680-R684 PolarHBondContact O-N 3.12Å; A680-R684 VanDerWaalsContact O-N 3.08Å
681A79.3Confident81.1Confident13 Ų13101.3 Ų101.311%0.10750%0.501CS..Hα-helixtrans-67.9-47.4176.500000111.3A678 R683 R684 V685A678-A681 HydrophobicContact CB-CB 4.12Å; A678-A681 WeakPolarHBondContact O-CA 3.46Å; A678-A681 WeakPolarHBondContact O-CB 3.34Å; A678-A681 PolarHBondContact O-N 2.91Å; A681-R683 VanDerWaalsContact C-N 3.35Å; A681-R683 PolarHBondContact O-N 2.83Å; A681-R684 PolarHBondContact O-N 3.27Å; A681-R684 VanDerWaalsContact O-N 3.15Å; A681-V685 PolarHBondContact O-N 2.67Å
682V85.1Confident80.7Confident71 Ų71101.8 Ų101.843%0.4351%0.51SS..Hα-helixtrans-58.5-45.3175.6179.50000111A678 R684 V685 M686A678-V682 PolarHBondContact O-N 2.8Å; V682-R684 PolarHBondContact O-N 3.18Å; V682-V685 PolarHBondContact O-N 2.95Å; V682-M686 WeakPolarHBondContact O-CB 3.31Å; V682-M686 PolarHBondContact O-N 3.05Å
683R80.6Confident80.2Confident161 Ų161100.1 Ų100.161%0.60850%0.502SS*.Hα-helixtrans-57.5-45.2173.9-81.5172.8170.4-175.8-6112.6K679 A681 V685 M686 T687K679-R683 WeakPolarHBondContact O-CB 3.43Å; K679-R683 WeakPolarHBondContact O-CD 3.33Å; K679-R683 WeakPolarHBondContact O-CG 3.38Å; K679-R683 PolarHBondContact O-N 2.76Å; K679-R683 VanDerWaalsContact O-N 3.17Å; A681-R683 VanDerWaalsContact C-N 3.35Å; A681-R683 PolarHBondContact O-N 2.83Å; R683-V685 PolarHBondContact O-N 3.33Å; R683-M686 PolarHBondContact O-N 2.99Å; R683-T687 PolarHBondContact O-N 3.11Å; R683-T687 PolarHBondContact O-OG1 3.34Å; R683-T687 VanDerWaalsContact O-OG1 3.1Å
684R81.7Confident79.2Confident177 Ų177103.1 Ų103.167%0.66851%0.512SS*.Hα-helixtrans-61.5-43.2177.3-73.5-175.8-56.2-139.33.5112.4A680 A681 V682 T687 A688A680-R684 WeakPolarHBondContact O-CG 3.46Å; A680-R684 PolarHBondContact O-N 3.12Å; A680-R684 VanDerWaalsContact O-N 3.08Å; A681-R684 PolarHBondContact O-N 3.27Å; A681-R684 VanDerWaalsContact O-N 3.15Å; V682-R684 PolarHBondContact O-N 3.18Å; R684-T687 PolarHBondContact O-N 3.07Å; R684-A688 WeakPolarHBondContact O-CB 3.47Å; R684-A688 PolarHBondContact O-N 3.04Å
685V83.6Confident78.4Confident88 Ų88102.2 Ų102.253%0.53351%0.512SS..Hα-helixtrans-64.6-46177.5175.80000110.7A681 V682 R683 T687 A688 M689A681-V685 PolarHBondContact O-N 2.67Å; V682-V685 PolarHBondContact O-N 2.95Å; R683-V685 PolarHBondContact O-N 3.33Å; V685-T687 PolarHBondContact O-N 3.13Å; V685-A688 PolarHBondContact O-N 3.05Å; V685-M689 HydrophobicContact CG1-CG 4.34Å; V685-M689 HydrophobicContact CG1-SD 3.97Å; V685-M689 WeakPolarHBondContact O-CB 3.03Å; V685-M689 WeakPolarHBondContact O-CG 3.43Å; V685-M689 PolarHBondContact O-N 3.42Å
686M82.1Confident77.4Confident117 Ų117100.8 Ų100.858%0.57651%0.505SS*.Hα-helixtrans-59.4-46.6176.7-172.1-178.1-172.600111.9V682 R683 A688 M689 N690V682-M686 WeakPolarHBondContact O-CB 3.31Å; V682-M686 PolarHBondContact O-N 3.05Å; R683-M686 PolarHBondContact O-N 2.99Å; M686-A688 PolarHBondContact O-N 3.2Å; M686-M689 PolarHBondContact O-N 3.23Å; M686-N690 WeakPolarHBondContact O-CB 3.07Å; M686-N690 PolarHBondContact O-N 3.47Å; M686-N690 PolarHBondContact O-OD1 3.46Å
687T79Confident76.2Confident75 Ų75102.6 Ų102.646%0.4651%0.508SS..Hα-helixtrans-62.1-42176.1-60.20000111.8R683 R684 V685 N690 Q691R683-T687 PolarHBondContact O-N 3.11Å; R683-T687 PolarHBondContact O-OG1 3.34Å; R683-T687 VanDerWaalsContact O-OG1 3.1Å; R684-T687 PolarHBondContact O-N 3.07Å; V685-T687 PolarHBondContact O-N 3.13Å; T687-N690 PolarHBondContact O-N 3.2Å; T687-Q691 WeakPolarHBondContact O-CB 3.49Å; T687-Q691 VanDerWaalsContact O-CG 3.3Å; T687-Q691 WeakPolarHBondContact O-CG 3.46Å; T687-Q691 PolarHBondContact O-N 3.13Å
688A79.9Confident74.9Confident46 Ų4698 Ų9838%0.3849%0.489SS..Hα-helixtrans-65.6-42.3177.700000112.4R684 V685 M686 Q691 M692R684-A688 WeakPolarHBondContact O-CB 3.47Å; R684-A688 PolarHBondContact O-N 3.04Å; V685-A688 PolarHBondContact O-N 3.05Å; M686-A688 PolarHBondContact O-N 3.2Å; A688-Q691 PolarHBondContact O-N 3.08Å; A688-M692 WeakPolarHBondContact O-CB 3.44Å; A688-M692 WeakPolarHBondContact O-CG 3.48Å; A688-M692 PolarHBondContact O-N 3.22Å
689M78Confident73.2Confident123 Ų123103.6 Ų103.661%0.60651%0.506SS*.Hα-helixtrans-63.3-45.2174.8-72.3-178.969.600111.6V685 M686 Q691 M692 D693V685-M689 HydrophobicContact CG1-CG 4.34Å; V685-M689 HydrophobicContact CG1-SD 3.97Å; V685-M689 WeakPolarHBondContact O-CB 3.03Å; V685-M689 WeakPolarHBondContact O-CG 3.43Å; V685-M689 PolarHBondContact O-N 3.42Å; M686-M689 PolarHBondContact O-N 3.23Å; M689-Q691 PolarHBondContact O-N 3.08Å; M689-M692 PolarHBondContact O-N 3.01Å; M689-D693 PolarHBondContact O-N 3.18Å
690N73.6Confident71.9Confident92 Ų92102 Ų10249%0.49250%0.5SS..Hα-helixtrans-61-43.3176.3-68.8-2.8000111.5M686 T687 D693 Q694M686-N690 WeakPolarHBondContact O-CB 3.07Å; M686-N690 PolarHBondContact O-N 3.47Å; M686-N690 PolarHBondContact O-OD1 3.46Å; T687-N690 PolarHBondContact O-N 3.2Å; N690-D693 PolarHBondContact O-N 3.42Å; N690-Q694 VanDerWaalsContact O-CB 3.28Å; N690-Q694 WeakPolarHBondContact O-CB 3.14Å; N690-Q694 PolarHBondContact O-N 3.17Å
691Q73.1Confident70.7Confident105 Ų105101.9 Ų101.949%0.49150%0.495SS..Hα-helixtrans-64.4-38174.8-75.7177.61.900112.8T687 A688 M689 K695T687-Q691 WeakPolarHBondContact O-CB 3.49Å; T687-Q691 VanDerWaalsContact O-CG 3.3Å; T687-Q691 WeakPolarHBondContact O-CG 3.46Å; T687-Q691 PolarHBondContact O-N 3.13Å; A688-Q691 PolarHBondContact O-N 3.08Å; M689-Q691 PolarHBondContact O-N 3.08Å; Q691-K695 WeakPolarHBondContact O-CB 3.48Å; Q691-K695 VanDerWaalsContact O-CG 3.24Å; Q691-K695 WeakPolarHBondContact O-CG 3.26Å; Q691-K695 PolarHBondContact O-N 3.24Å
692M70Confident69.7Low127 Ų127102.4 Ų102.463%0.62650%0.496SS*.Hα-helixtrans-66.5-40.2175.2-77.6178.863.600111.8A688 M689 K695 K696A688-M692 WeakPolarHBondContact O-CB 3.44Å; A688-M692 WeakPolarHBondContact O-CG 3.48Å; A688-M692 PolarHBondContact O-N 3.22Å; M689-M692 PolarHBondContact O-N 3.01Å; M692-K695 PolarHBondContact O-N 3.28Å; M692-K696 WeakPolarHBondContact O-CG 3.35Å; M692-K696 PolarHBondContact O-N 3.49Å
693D68.9Low68.8Low72 Ų72102.5 Ų102.539%0.38549%0.492SS..Hα-helixtrans-75.4-37.7-178.7-149.760.1000112.1M689 N690 K695 K696 H697M689-D693 PolarHBondContact O-N 3.18Å; N690-D693 PolarHBondContact O-N 3.42Å; D693-K695 VanDerWaalsContact C-N 3.33Å; D693-K695 PolarHBondContact O-N 3.4Å; D693-K696 WeakPolarHBondContact O-CB 3.35Å; D693-K696 PolarHBondContact O-N 3.25Å; D693-K696 VanDerWaalsContact O-N 3.14Å; D693-K696 IonicContact OD1-NZ 3.51Å; D693-K696 PolarHBondContact OD1-NZ 3.34Å; D693-H697 PolarHBondContact O-N 3.11Å; D693-H697 PolarHBondContact O-ND1 3.45Å; D693-H697 IonicContact OD2-CE1 3.39Å; D693-H697 PolarHBondContact OD2-CE1 3.38Å; D693-H697 IonicContact OD2-ND1 3.78Å
694Q62Low68.3Low80 Ų8095 Ų9537%0.37446%0.464SS..Hα-helixtrans-56.1-47.6168.4-166.2-179.2-43.400110.6N690 K696 H697 E698N690-Q694 VanDerWaalsContact O-CB 3.28Å; N690-Q694 WeakPolarHBondContact O-CB 3.14Å; N690-Q694 PolarHBondContact O-N 3.17Å; Q694-K696 PolarHBondContact O-N 2.95Å; Q694-H697 PolarHBondContact O-N 3.18Å; Q694-E698 HydrophobicContact CG-CG 4.13Å; Q694-E698 WeakPolarHBondContact CG-OE1 3.32Å; Q694-E698 PolarHBondContact NE2-OE1 3.22Å; Q694-E698 WeakPolarHBondContact O-CG 3.5Å; Q694-E698 PolarHBondContact O-N 3.49Å
695K65.2Low67.5Low127 Ų12790 Ų9055%0.55245%0.45SS*.Hα-helixtrans-64-18.1176.6-77.3172.5179.3177.70115.8Q691 M692 D693 E698Q691-K695 WeakPolarHBondContact O-CB 3.48Å; Q691-K695 VanDerWaalsContact O-CG 3.24Å; Q691-K695 WeakPolarHBondContact O-CG 3.26Å; Q691-K695 PolarHBondContact O-N 3.24Å; M692-K695 PolarHBondContact O-N 3.28Å; D693-K695 VanDerWaalsContact C-N 3.33Å; D693-K695 PolarHBondContact O-N 3.4Å; K695-E698 WeakPolarHBondContact CA-OE2 3.35Å; K695-E698 VanDerWaalsContact CG-OE2 3.3Å; K695-E698 WeakPolarHBondContact CG-OE2 3.14Å
696K60.9Low66.5Low139 Ų13992 Ų9260%0.60445%0.449SS*.Hα-helixtrans-75.9-42.8168.8-65.8174.1-160.6156.30110.9M692 D693 Q694M692-K696 WeakPolarHBondContact O-CG 3.35Å; M692-K696 PolarHBondContact O-N 3.49Å; D693-K696 WeakPolarHBondContact O-CB 3.35Å; D693-K696 PolarHBondContact O-N 3.25Å; D693-K696 VanDerWaalsContact O-N 3.14Å; D693-K696 IonicContact OD1-NZ 3.51Å; D693-K696 PolarHBondContact OD1-NZ 3.34Å; Q694-K696 PolarHBondContact O-N 2.95Å
697H56.9Low65.3Low121 Ų12187.7 Ų87.756%0.5643%0.432SS*.Hα-helixtrans-76.9-33.4-178.2-65.789.7000112.7D693 Q694 K699 S701D693-H697 PolarHBondContact O-N 3.11Å; D693-H697 PolarHBondContact O-ND1 3.45Å; D693-H697 IonicContact OD2-CE1 3.39Å; D693-H697 PolarHBondContact OD2-CE1 3.38Å; D693-H697 IonicContact OD2-ND1 3.78Å; Q694-H697 PolarHBondContact O-N 3.18Å; H697-K699 VanDerWaalsContact C-N 3.31Å; H697-K699 PolarHBondContact O-N 3.03Å; H697-S701 VanDerWaalsContact O-CB 3.23Å; H697-S701 WeakPolarHBondContact O-CB 3.2Å; H697-S701 PolarHBondContact O-OG 3.4Å
698E56.7Low64Low63 Ų6388 Ų8829%0.29443%0.431SS..Hα-helixtrans-58.1-35-176.1-83.9168.9170.200114.4Q694 K695 F700Q694-E698 HydrophobicContact CG-CG 4.13Å; Q694-E698 WeakPolarHBondContact CG-OE1 3.32Å; Q694-E698 PolarHBondContact NE2-OE1 3.22Å; Q694-E698 WeakPolarHBondContact O-CG 3.5Å; Q694-E698 PolarHBondContact O-N 3.49Å; K695-E698 WeakPolarHBondContact CA-OE2 3.35Å; K695-E698 VanDerWaalsContact CG-OE2 3.3Å; K695-E698 WeakPolarHBondContact CG-OE2 3.14Å; E698-F700 PolarHBondContact O-N 2.7Å
699K54.8Low62.1Low156 Ų15696 Ų9668%0.67847%0.466SS*.Hα-helixtrans-54.6-30.2-162.9-73.8-170.3174.6-173.70115.6H697H697-K699 VanDerWaalsContact C-N 3.31Å; H697-K699 PolarHBondContact O-N 3.03Å
700F56.3Low61.3Low128 Ų12894.6 Ų94.656%0.56146%0.459SS*.Hα-helixtrans-137.8-13.3176.2-58.2-74.2000114.4E698 N702 Q703 Y706E698-F700 PolarHBondContact O-N 2.7Å; F700-N702 VanDerWaalsContact C-N 3.3Å; F700-N702 PolarHBondContact O-N 3.21Å; F700-Q703 PolarHBondContact O-N 2.68Å; F700-Y706 HydrophobicContact CD1-CD2 4.43Å; F700-Y706 HydrophobicContact CD1-CG 4.11Å
701S56.4Low60.7Low58 Ų5894.7 Ų94.741%0.40646%0.458SS..Hα-helixtrans-73.1-12.6-171.665.90000115.9F137 K142 H697F137-S701 WeakPolarHBondContact CE2-O 3.33Å; F137-S701 VanDerWaalsContact CZ-O 3.26Å; F137-S701 WeakPolarHBondContact CZ-O 3.18Å; K142-S701 WeakPolarHBondContact CE-O 3.1Å; H697-S701 VanDerWaalsContact O-CB 3.23Å; H697-S701 WeakPolarHBondContact O-CB 3.2Å; H697-S701 PolarHBondContact O-OG 3.4Å
702N58.7Low60Low24 Ų2494.2 Ų94.213%0.12846%0.456CS..THydrogen-bonded Turntrans-92.1-19.4173.3-76.1-2.5000113D94 F137 K142 F700D94-N702 PolarHBondContact OD1-ND2 3.39Å; F137-N702 WeakPolarHBondContact CZ-O 3.3Å; K142-N702 PolarHBondContact NZ-OD1 3.27Å; F700-N702 VanDerWaalsContact C-N 3.3Å; F700-N702 PolarHBondContact O-N 3.21Å
703Q66.1Low59.4Low73 Ų7392.2 Ų92.234%0.34145%0.446SS..  trans-104.4101.3-169.4-58.8-162.6-2.800112F700 N705 Y706 A707F700-Q703 PolarHBondContact O-N 2.68Å; Q703-N705 PolarHBondContact O-N 3.45Å; Q703-Y706 HydrophobicContact CB-CD2 3.95Å; Q703-Y706 PolarHBondContact O-N 3.37Å; Q703-Y706 VanDerWaalsContact OE1-CE2 3.25Å; Q703-A707 PolarHBondContact O-N 3.47Å
704F70.3Confident58.8Low5 Ų593.5 Ų93.52%0.02245%0.45CS..G310 helixtrans-59.4-22.6-179.870.8-101000114F83 Q84 K130 L133 F137 Y706 A707F83-F704 HydrophobicContact CB-CE1 4.47Å; F83-F704 HydrophobicContact CB-CZ 4.2Å; F83-F704 HydrophobicContact CD1-CE1 4.13Å; F83-F704 HydrophobicContact CD1-CZ 4.03Å; Q84-F704 HydrophobicContact CB-CE1 3.96Å; Q84-F704 HydrophobicContact CG-CD1 4.42Å; Q84-F704 HydrophobicContact CG-CE1 4.33Å; K130-F704 WeakPolarHBondContact O-CE2 3.4Å; L133-F704 HydrophobicContact CB-CD2 3.89Å; L133-F704 HydrophobicContact CB-CE2 4.22Å; F137-F704 HydrophobicContact CB-CB 3.47Å; F137-F704 VanDerWaalsContact CB-CB 3.47Å; F137-F704 HydrophobicContact CD1-CB 3.88Å; F137-F704 HydrophobicContact CD2-CB 3.77Å; F137-F704 HydrophobicContact CE2-CB 4.44Å; F137-F704 HydrophobicContact CG-CB 3.45Å; F137-F704 VanDerWaalsContact CG-CB 3.45Å; F704-Y706 PolarHBondContact O-N 3.1Å; F704-A707 PolarHBondContact O-N 3.38Å
705N65.9Low58.6Low70 Ų7094.4 Ų94.437%0.37446%0.455SS..G310 helixtrans-61.4-19.5173.8-58.8-69.5000113.8Q84 Q703Q84-N705 PolarHBondContact OE1-ND2 3.47Å; Q703-N705 PolarHBondContact O-N 3.45Å
706Y62.8Low58.1Low131 Ų13192.1 Ų92.151%0.51445%0.448SS..G310 helixtrans-118.1-1.5179.6-62.6-80000113.5F700 Q703 F704 L708F700-Y706 HydrophobicContact CD1-CD2 4.43Å; F700-Y706 HydrophobicContact CD1-CG 4.11Å; Q703-Y706 HydrophobicContact CB-CD2 3.95Å; Q703-Y706 PolarHBondContact O-N 3.37Å; Q703-Y706 VanDerWaalsContact OE1-CE2 3.25Å; F704-Y706 PolarHBondContact O-N 3.1Å; Y706-L708 VanDerWaalsContact C-N 3.32Å; Y706-L708 PolarHBondContact O-N 2.99Å
707A55.9Low57.9Low27 Ų2788.5 Ų88.522%0.22344%0.436CS..THydrogen-bonded Turntrans-92.214-173.100000114.1F137 N141 Q703 F704F137-A707 HydrophobicContact CD2-CB 3.73Å; F137-A707 HydrophobicContact CE2-CB 4.08Å; N141-A707 PolarHBondContact ND2-O 3.02Å; Q703-A707 PolarHBondContact O-N 3.47Å; F704-A707 PolarHBondContact O-N 3.38Å
708L51.2Low58Low82 Ų8285.8 Ų85.843%0.42943%0.425SS..THydrogen-bonded Turntrans-144.526.8-172.4-81172.8000113.1L133 Y706L133-L708 HydrophobicContact CB-CD1 4.29Å; L133-L708 HydrophobicContact CD2-CD1 3.38Å; L133-L708 HydrophobicContact CG-CD1 4.42Å; Y706-L708 VanDerWaalsContact C-N 3.32Å; Y706-L708 PolarHBondContact O-N 2.99Å
709N40.6Very low58.1Low212 Ų21287.8 Ų87.8100%1.13444%0.437SS*.  trans-106.90163.9-74.3-10.4000109.3

Retrieved 709 of 709 residues in 123.5 ms (Link to these results)

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