A0A087X7K1_POEFO Loading...

Cullin-2

AlphaFold DB (A0A3B3TRU8), UniProt , Accession A0A087X7K1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 745 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
1M40.7Very low64.6Low217 Ų217102.6 Ų102.6100%1.06954%0.54SS*.  01330-85.1-166.2-103.600108.8L3M1-L3 PolarHBondContact O-N 3.02Å
2S38Very low66.1Low97 Ų97103.1 Ų103.168%0.67854%0.537SS*.  trans-70.9119.9179.2-1740000110K4S2-K4 VanDerWaalsContact C-N 3.34Å; S2-K4 PolarHBondContact O-N 3.25Å; S2-K4 WeakPolarHBondContact OG-CE 3.49Å
3L53.3Low67.3Low127 Ų12796.3 Ų96.367%0.66550%0.503SS*.  trans-7875.1-179.4-72149.3000110.4M1 Y43M1-L3 PolarHBondContact O-N 3.02Å; L3-Y43 HydrophobicContact CD2-CD1 3.93Å; L3-Y43 HydrophobicContact CD2-CD2 4.45Å; L3-Y43 HydrophobicContact CD2-CE1 3.32Å; L3-Y43 HydrophobicContact CD2-CE2 3.89Å; L3-Y43 HydrophobicContact CD2-CG 4.48Å
4K58.5Low68.5Low151 Ų15190.9 Ų90.966%0.65747%0.472SS*.  trans-110.7145.6173.7-61.2-176.6-177.2-1770110.1S2 R6S2-K4 VanDerWaalsContact C-N 3.34Å; S2-K4 PolarHBondContact O-N 3.25Å; S2-K4 WeakPolarHBondContact OG-CE 3.49Å; K4-R6 PolarHBondContact O-N 3.45Å
5P61.7Low69.5Low84 Ų8491.1 Ų91.155%0.54547%0.474SS..  trans-51.4131.6169.5-23.332.5000110.1V47P5-V47 WeakPolarHBondContact CA-O 2.83Å; P5-V47 HydrophobicContact CB-CG1 4.39Å; P5-V47 HydrophobicContact CG-CG1 4.08Å
6R69.6Low70.4Confident125 Ų12590.9 Ų90.947%0.47247%0.469SS..  trans-129.5151.3-179.560.5177.1-176.1-177.62.4109.6K4 V8 Y49K4-R6 PolarHBondContact O-N 3.45Å; R6-V8 HydrophobicContact CG-CG2 3.71Å; R6-V8 PolarHBondContact O-N 2.62Å; R6-Y49 PolarHBondContact O-N 3.22Å
7V72.3Confident71.2Confident122 Ų12285.6 Ų85.674%0.73944%0.441SS*.  trans-70.6123.1168.8-178.20000107Y49V7-Y49 HydrophobicContact CG2-CD1 4.41Å
8V75.6Confident72Confident23 Ų2383.6 Ų83.614%0.13943%0.431CS..  trans-123132.3-178.2-173.10000108.3R6 F10 T13 A44 L45 A48R6-V8 HydrophobicContact CG-CG2 3.71Å; R6-V8 PolarHBondContact O-N 2.62Å; V8-F10 PolarHBondContact O-N 2.9Å; V8-T13 HydrophobicContact CG1-CG2 3.55Å; V8-A44 HydrophobicContact CG2-CB 4.21Å; V8-L45 HydrophobicContact CG1-CD2 4.19Å; V8-A48 HydrophobicContact CG2-CB 4.46Å
9D80.1Confident72.6Confident94 Ų9484.3 Ų84.350%0.50344%0.44SS..  trans-74.3113.4166.2-172-24.1000108.9D11 E12 T13D9-D11 VanDerWaalsContact C-N 3.35Å; D9-D11 PolarHBondContact OD1-N 2.95Å; D9-E12 HydrophobicContact CB-CB 4.23Å; D9-E12 PolarHBondContact OD1-N 3.26Å; D9-T13 PolarHBondContact O-N 3.43Å; D9-T13 PolarHBondContact O-OG1 2.91Å
10F80.6Confident73.2Confident7 Ų780.7 Ų80.73%0.03142%0.422CS..Hα-helixtrans-62.5-41.7-180-178.7-89.1000111.5V8 T13 W14 L45 L53 R56 L57 E60V8-F10 PolarHBondContact O-N 2.9Å; F10-T13 PolarHBondContact O-N 2.95Å; F10-T13 PolarHBondContact O-OG1 3.27Å; F10-W14 HydrophobicContact CD1-CB 4.1Å; F10-W14 HydrophobicContact CE1-CB 3.84Å; F10-W14 AromaticContact CE1-CG 3.96Å; F10-W14 HydrophobicContact CE1-CG 3.96Å; F10-W14 HydrophobicContact CZ-CB 4.23Å; F10-W14 HydrophobicContact CZ-CD2 4.45Å; F10-W14 HydrophobicContact CZ-CG 4.28Å; F10-W14 WeakPolarHBondContact O-CA 2.8Å; F10-W14 WeakPolarHBondContact O-CB 3.34Å; F10-W14 PolarHBondContact O-N 3.13Å; F10-L45 HydrophobicContact CD2-CD2 3.81Å; F10-L45 HydrophobicContact CE2-CD2 4.44Å; F10-L53 HydrophobicContact CB-CD1 4.32Å; F10-L53 HydrophobicContact CB-CD2 4.27Å; F10-L53 HydrophobicContact CD2-CB 3.99Å; F10-L53 HydrophobicContact CD2-CD1 4.35Å; F10-L53 HydrophobicContact CD2-CD2 4.09Å; F10-L53 HydrophobicContact CD2-CG 4.39Å; F10-L53 HydrophobicContact CE2-CB 4.47Å; F10-L53 HydrophobicContact CG-CD2 4.45Å; F10-R56 HydrophobicContact CD1-CG 4.48Å; F10-R56 HydrophobicContact CE1-CG 3.95Å; F10-R56 HydrophobicContact CE2-CB 4.07Å; F10-R56 HydrophobicContact CE2-CG 3.97Å; F10-R56 HydrophobicContact CZ-CB 4.19Å; F10-R56 HydrophobicContact CZ-CG 3.67Å; F10-L57 HydrophobicContact CE2-CB 4.13Å; F10-E60 HydrophobicContact CE1-CG 4.11Å; F10-E60 HydrophobicContact CZ-CG 4.02Å
11D80.3Confident73.6Confident82 Ų8276.9 Ų76.944%0.43940%0.401SS..Hα-helixtrans-72.6-37.4-170.5-62.2-35.5000110.6D9 N15 R56D9-D11 VanDerWaalsContact C-N 3.35Å; D9-D11 PolarHBondContact OD1-N 2.95Å; D11-N15 WeakPolarHBondContact O-CB 3.42Å; D11-N15 PolarHBondContact O-N 2.91Å; D11-N15 PolarHBondContact O-ND2 2.97Å; D11-R56 IonicContact OD1-CZ 2.71Å; D11-R56 IonicContact OD1-NH2 3.31Å; D11-R56 PolarHBondContact OD1-NH2 3.04Å
12E82.3Confident75.7Confident108 Ų10872.4 Ų72.451%0.50538%0.376SS..Hα-helixtrans-67.1-44.8176-163.7-164.2154.300112.1D9 K16D9-E12 HydrophobicContact CB-CB 4.23Å; D9-E12 PolarHBondContact OD1-N 3.26Å; E12-K16 WeakPolarHBondContact O-CG 3.46Å; E12-K16 PolarHBondContact O-N 2.86Å; E12-K16 WeakPolarHBondContact OE1-CE 2.97Å; E12-K16 IonicContact OE1-NZ 2.72Å; E12-K16 PolarHBondContact OE1-NZ 3.26Å
13T81.5Confident77.8Confident15 Ų1568.7 Ų68.79%0.09235%0.352CS..Hα-helixtrans-74.2-36.8-179.250.80000112.2V8 D9 F10 K16 L17 L45V8-T13 HydrophobicContact CG1-CG2 3.55Å; D9-T13 PolarHBondContact O-N 3.43Å; D9-T13 PolarHBondContact O-OG1 2.91Å; F10-T13 PolarHBondContact O-N 2.95Å; F10-T13 PolarHBondContact O-OG1 3.27Å; T13-K16 PolarHBondContact O-N 3.12Å; T13-L17 WeakPolarHBondContact O-CB 3.25Å; T13-L17 PolarHBondContact O-N 3.09Å; T13-L45 WeakPolarHBondContact OG1-CD2 3.24Å
14W85Confident79.2Confident20 Ų2063 Ų638%0.07632%0.322CS..Hα-helixtrans-62.1-43.8172.4176.3-119.3000111.7F10 K16 L17 L18 I21 L57 E60F10-W14 HydrophobicContact CD1-CB 4.1Å; F10-W14 HydrophobicContact CE1-CB 3.84Å; F10-W14 AromaticContact CE1-CG 3.96Å; F10-W14 HydrophobicContact CE1-CG 3.96Å; F10-W14 HydrophobicContact CZ-CB 4.23Å; F10-W14 HydrophobicContact CZ-CD2 4.45Å; F10-W14 HydrophobicContact CZ-CG 4.28Å; F10-W14 WeakPolarHBondContact O-CA 2.8Å; F10-W14 WeakPolarHBondContact O-CB 3.34Å; F10-W14 PolarHBondContact O-N 3.13Å; W14-K16 VanDerWaalsContact C-N 3.32Å; W14-K16 PolarHBondContact O-N 3.24Å; W14-L17 HydrophobicContact CE3-CB 4.5Å; W14-L17 HydrophobicContact CE3-CD2 4.17Å; W14-L17 HydrophobicContact CZ3-CD2 4.23Å; W14-L17 CarbonylContact O-C 3.59Å; W14-L17 PolarHBondContact O-N 2.93Å; W14-L17 VanDerWaalsContact O-N 3.1Å; W14-L18 HydrophobicContact CH2-CD1 4.44Å; W14-L18 HydrophobicContact CZ2-CB 4.46Å; W14-L18 HydrophobicContact CZ2-CD1 3.89Å; W14-L18 WeakPolarHBondContact O-CB 3.24Å; W14-L18 PolarHBondContact O-N 3.44Å; W14-I21 HydrophobicContact CH2-CD1 4.07Å; W14-I21 HydrophobicContact CZ3-CD1 3.98Å; W14-L57 HydrophobicContact CE3-CD1 3.61Å; W14-L57 HydrophobicContact CZ3-CD1 3.54Å; W14-E60 HydrophobicContact CD2-CB 4.24Å; W14-E60 HydrophobicContact CH2-CB 3.81Å; W14-E60 HydrophobicContact CZ2-CB 3.45Å; W14-E60 VanDerWaalsContact CZ2-CB 3.45Å; W14-E60 HydrophobicContact CZ3-CB 4.33Å
15N83.6Confident80.1Confident94 Ų9456 Ų5650%0.50329%0.292SS..Hα-helixtrans-61.6-39.6178.1-78.8-44.2000112.7D11 L17 T19D11-N15 WeakPolarHBondContact O-CB 3.42Å; D11-N15 PolarHBondContact O-N 2.91Å; D11-N15 PolarHBondContact O-ND2 2.97Å; N15-L17 VanDerWaalsContact C-N 3.35Å; N15-T19 PolarHBondContact O-N 2.97Å; N15-T19 VanDerWaalsContact O-N 3.17Å; N15-T19 PolarHBondContact O-OG1 3.26Å
16K83.6Confident80.9Confident89 Ų8955 Ų5539%0.38728%0.28SS..Hα-helixtrans-66.3-37.6174-68.4173.1-169.5168.70111.8E12 T13 W14 T20 R38E12-K16 WeakPolarHBondContact O-CG 3.46Å; E12-K16 PolarHBondContact O-N 2.86Å; E12-K16 WeakPolarHBondContact OE1-CE 2.97Å; E12-K16 IonicContact OE1-NZ 2.72Å; E12-K16 PolarHBondContact OE1-NZ 3.26Å; T13-K16 PolarHBondContact O-N 3.12Å; W14-K16 VanDerWaalsContact C-N 3.32Å; W14-K16 PolarHBondContact O-N 3.24Å; K16-T20 PolarHBondContact O-N 2.85Å; K16-T20 PolarHBondContact O-OG1 3.26Å; K16-R38 PolarHBondContact O-NE 3.1Å
17L84.6Confident81.4Confident0 Ų052.4 Ų52.40%028%0.276CS..Hα-helixtrans-72.6-45178.4-169.963.9000112.3T13 W14 N15 T19 T20 I21 R38 I42 L45 L57 L104 Y105T13-L17 WeakPolarHBondContact O-CB 3.25Å; T13-L17 PolarHBondContact O-N 3.09Å; W14-L17 HydrophobicContact CE3-CB 4.5Å; W14-L17 HydrophobicContact CE3-CD2 4.17Å; W14-L17 HydrophobicContact CZ3-CD2 4.23Å; W14-L17 CarbonylContact O-C 3.59Å; W14-L17 PolarHBondContact O-N 2.93Å; W14-L17 VanDerWaalsContact O-N 3.1Å; N15-L17 VanDerWaalsContact C-N 3.35Å; L17-T19 VanDerWaalsContact C-N 3.28Å; L17-T19 PolarHBondContact O-N 3.49Å; L17-T20 CarbonylContact O-C 3.35Å; L17-T20 PolarHBondContact O-N 3.13Å; L17-T20 PolarHBondContact O-OG1 2.9Å; L17-I21 HydrophobicContact CG-CD1 3.98Å; L17-I21 HydrophobicContact CG-CG1 4.34Å; L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.28Å; L17-I21 PolarHBondContact O-N 3.21Å; L17-R38 HydrophobicContact CD1-CB 4.01Å; L17-R38 HydrophobicContact CD1-CG 4.24Å; L17-I42 HydrophobicContact CD1-CD1 4.1Å; L17-I42 HydrophobicContact CD1-CG1 4.01Å; L17-I42 HydrophobicContact CD2-CG1 3.95Å; L17-L45 HydrophobicContact CD2-CD1 4.33Å; L17-L57 HydrophobicContact CD2-CD1 3.64Å; L17-L104 HydrophobicContact CD1-CD2 4.24Å; L17-Y105 WeakPolarHBondContact CD2-OH 3.36Å
18L84.9Confident81.8Confident49 Ų4951.4 Ų51.426%0.25727%0.266SS..Hα-helixtrans-57-40.6175.8-177.162.7000111.9W14 T20 I21 K22 F64W14-L18 HydrophobicContact CH2-CD1 4.44Å; W14-L18 HydrophobicContact CZ2-CB 4.46Å; W14-L18 HydrophobicContact CZ2-CD1 3.89Å; W14-L18 WeakPolarHBondContact O-CB 3.24Å; W14-L18 PolarHBondContact O-N 3.44Å; L18-T20 VanDerWaalsContact C-N 3.33Å; L18-T20 PolarHBondContact O-N 3.35Å; L18-I21 PolarHBondContact O-N 3.44Å; L18-K22 VanDerWaalsContact O-CB 3.26Å; L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 PolarHBondContact O-N 3.43Å; L18-F64 HydrophobicContact CD1-CB 4.19Å; L18-F64 HydrophobicContact CD1-CD2 3.31Å; L18-F64 HydrophobicContact CD1-CE2 3.81Å; L18-F64 HydrophobicContact CD1-CG 3.77Å
19T84.3Confident81.9Confident98 Ų9859.9 Ų59.960%0.60130%0.297SS*.Hα-helixtrans-59.8-44.9175.2-57.10000111.1N15 L17 A23N15-T19 PolarHBondContact O-N 2.97Å; N15-T19 VanDerWaalsContact O-N 3.17Å; N15-T19 PolarHBondContact O-OG1 3.26Å; L17-T19 VanDerWaalsContact C-N 3.28Å; L17-T19 PolarHBondContact O-N 3.49Å; T19-A23 PolarHBondContact O-N 3.46Å; T19-A23 VanDerWaalsContact O-N 3.13Å
20T82.9Confident81.9Confident12 Ų1257 Ų577%0.07428%0.283CS..Hα-helixtrans-72-39.1177.751.70000112.9K16 L17 L18 K22 A23 V24 R38K16-T20 PolarHBondContact O-N 2.85Å; K16-T20 PolarHBondContact O-OG1 3.26Å; L17-T20 CarbonylContact O-C 3.35Å; L17-T20 PolarHBondContact O-N 3.13Å; L17-T20 PolarHBondContact O-OG1 2.9Å; L18-T20 VanDerWaalsContact C-N 3.33Å; L18-T20 PolarHBondContact O-N 3.35Å; T20-K22 VanDerWaalsContact C-N 3.31Å; T20-K22 PolarHBondContact O-N 3.09Å; T20-A23 PolarHBondContact O-N 3.42Å; T20-V24 WeakPolarHBondContact O-CG2 3.39Å; T20-V24 PolarHBondContact O-N 2.88Å; T20-R38 HydrophobicContact CG2-CG 3.78Å; T20-R38 WeakPolarHBondContact OG1-CD 3.3Å; T20-R38 WeakPolarHBondContact OG1-CG 3.42Å
21I83.3Confident82Confident0 Ų062.3 Ų62.30%031%0.308CS..Hα-helixtrans-60.7-44.8175-65.1166.1000109.9W14 L17 L18 A23 V24 V25 F64 M101 Y105W14-I21 HydrophobicContact CH2-CD1 4.07Å; W14-I21 HydrophobicContact CZ3-CD1 3.98Å; L17-I21 HydrophobicContact CG-CD1 3.98Å; L17-I21 HydrophobicContact CG-CG1 4.34Å; L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.28Å; L17-I21 PolarHBondContact O-N 3.21Å; L18-I21 PolarHBondContact O-N 3.44Å; I21-A23 VanDerWaalsContact C-N 3.33Å; I21-A23 PolarHBondContact O-N 3.11Å; I21-V24 PolarHBondContact O-N 3.37Å; I21-V25 HydrophobicContact CG2-CG2 4.16Å; I21-V25 VanDerWaalsContact O-CG2 3.24Å; I21-V25 WeakPolarHBondContact O-CG2 3.2Å; I21-V25 PolarHBondContact O-N 3.33Å; I21-F64 HydrophobicContact CB-CE1 4.47Å; I21-F64 HydrophobicContact CG2-CD1 3.7Å; I21-F64 HydrophobicContact CG2-CE1 3.38Å; I21-F64 HydrophobicContact CG2-CZ 4.1Å; I21-M101 HydrophobicContact CG2-CE 3.6Å; I21-M101 HydrophobicContact CG2-CG 4.4Å; I21-M101 HydrophobicContact CG2-SD 3.83Å; I21-Y105 HydrophobicContact CD1-CE2 3.96Å; I21-Y105 WeakPolarHBondContact CD1-OH 3.18Å; I21-Y105 HydrophobicContact CG1-CE2 4.17Å
22K83.3Confident81.9Confident123 Ų12367.9 Ų67.954%0.53532%0.323SS..Hα-helixtrans-61-42.4178.3-172.6178.2179.6-178.60111.9L18 T20 M26 F64L18-K22 VanDerWaalsContact O-CB 3.26Å; L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 PolarHBondContact O-N 3.43Å; T20-K22 VanDerWaalsContact C-N 3.31Å; T20-K22 PolarHBondContact O-N 3.09Å; K22-M26 VanDerWaalsContact O-CG 3.25Å; K22-M26 WeakPolarHBondContact O-CG 3.44Å; K22-M26 PolarHBondContact O-N 3.31Å; K22-F64 HydrophobicContact CB-CE2 4.24Å; K22-F64 HydrophobicContact CB-CZ 4.08Å; K22-F64 HydrophobicContact CG-CE2 4.48Å; K22-F64 HydrophobicContact CG-CZ 4.43Å
23A82.9Confident81.7Confident20 Ų2065.6 Ų65.617%0.16532%0.322CS..Hα-helixtrans-63.3-43.8175.100000111.7T19 T20 I21 M26 L27 D28 V30T19-A23 PolarHBondContact O-N 3.46Å; T19-A23 VanDerWaalsContact O-N 3.13Å; T20-A23 PolarHBondContact O-N 3.42Å; I21-A23 VanDerWaalsContact C-N 3.33Å; I21-A23 PolarHBondContact O-N 3.11Å; A23-M26 CarbonylContact O-C 3.57Å; A23-M26 PolarHBondContact O-N 3.26Å; A23-L27 PolarHBondContact O-N 3.42Å; A23-L27 VanDerWaalsContact O-N 3.11Å; A23-D28 HydrophobicContact CB-CB 4.07Å; A23-D28 PolarHBondContact O-N 2.75Å; A23-V30 HydrophobicContact CB-CG2 3.73Å
24V82.6Confident81.7Confident7 Ų766.9 Ų66.94%0.04233%0.33CS..Hα-helixtrans-64.5-43.7-179.4173.40000112.9T20 I21 M26 L27 V30 W35 Y100 M101T20-V24 WeakPolarHBondContact O-CG2 3.39Å; T20-V24 PolarHBondContact O-N 2.88Å; I21-V24 PolarHBondContact O-N 3.37Å; V24-M26 PolarHBondContact O-N 3.11Å; V24-L27 PolarHBondContact O-N 3.26Å; V24-V30 HydrophobicContact CG2-CG2 4.29Å; V24-W35 HydrophobicContact CG1-CH2 4.45Å; V24-W35 HydrophobicContact CG2-CE3 4.41Å; V24-W35 HydrophobicContact CG2-CH2 3.8Å; V24-W35 HydrophobicContact CG2-CZ3 3.3Å; V24-Y100 VanDerWaalsContact CG1-CB 3.47Å; V24-Y100 HydrophobicContact CG1-CG 4.48Å; V24-M101 HydrophobicContact CG1-CG 4.03Å
25V78.1Confident81.5Confident3 Ų368.5 Ų68.52%0.01834%0.336CS..Hα-helixtrans-69-28-178.6177.40000111.4I21 L27 F64 H68 Y94 M101I21-V25 HydrophobicContact CG2-CG2 4.16Å; I21-V25 VanDerWaalsContact O-CG2 3.24Å; I21-V25 WeakPolarHBondContact O-CG2 3.2Å; I21-V25 PolarHBondContact O-N 3.33Å; V25-L27 VanDerWaalsContact C-N 3.32Å; V25-F64 HydrophobicContact CG2-CE1 4.21Å; V25-H68 WeakPolarHBondContact CG1-CD2 3.25Å; V25-H68 WeakPolarHBondContact CG1-NE2 3.42Å; V25-Y94 HydrophobicContact CG1-CD2 4.06Å; V25-Y94 HydrophobicContact CG1-CE2 4.35Å; V25-M101 HydrophobicContact CG2-CG 4.04Å; V25-M101 HydrophobicContact CG2-SD 3.12Å; V25-M101 WeakPolarHBondContact CG2-SD 3.27Å
26M78.6Confident81.3Confident63 Ų6368 Ų6831%0.3133%0.333SS..THydrogen-bonded Turntrans-87-0172.8-63-68.2-168.100113.2K22 A23 V24 D28 H68K22-M26 VanDerWaalsContact O-CG 3.25Å; K22-M26 WeakPolarHBondContact O-CG 3.44Å; K22-M26 PolarHBondContact O-N 3.31Å; A23-M26 CarbonylContact O-C 3.57Å; A23-M26 PolarHBondContact O-N 3.26Å; V24-M26 PolarHBondContact O-N 3.11Å; M26-D28 PolarHBondContact O-N 3.1Å; M26-H68 WeakPolarHBondContact CE-CE1 3.21Å
27L79.8Confident81.2Confident71 Ų7167.8 Ų67.837%0.37234%0.336SS..THydrogen-bonded Turntrans55.431-171.9-61-179.8000114.4A23 V24 V25 E93 K96 Y100A23-L27 PolarHBondContact O-N 3.42Å; A23-L27 VanDerWaalsContact O-N 3.11Å; V24-L27 PolarHBondContact O-N 3.26Å; V25-L27 VanDerWaalsContact C-N 3.32Å; L27-E93 HydrophobicContact CD1-CB 4.18Å; L27-E93 HydrophobicContact CD1-CG 4.12Å; L27-K96 HydrophobicContact CD1-CB 4.27Å; L27-K96 HydrophobicContact CD1-CD 4.23Å; L27-K96 HydrophobicContact CD2-CB 3.99Å; L27-Y100 HydrophobicContact CD2-CD2 3.98Å; L27-Y100 HydrophobicContact CD2-CE2 3.9Å
28D80.5Confident81.2Confident101 Ų10169.2 Ų69.254%0.5434%0.342SS..  trans-73.3154.6171.5-68.9-36.2000111.1A23 M26 V30A23-D28 HydrophobicContact CB-CB 4.07Å; A23-D28 PolarHBondContact O-N 2.75Å; M26-D28 PolarHBondContact O-N 3.1Å; D28-V30 PolarHBondContact O-N 3.22Å
29Y78.2Confident81Confident202 Ų20270.3 Ų70.379%0.79234%0.344SS*.  trans-68.7125.8-180-179.8-98.1000111.7E31Y29-E31 HydrophobicContact CE1-CG 4.04Å
30V79.1Confident80.9Confident33 Ų3368.4 Ų68.420%0.234%0.335CS..  trans-117.1126.3175.4-176.80000109.3A23 V24 D28 T34 W35A23-V30 HydrophobicContact CB-CG2 3.73Å; V24-V30 HydrophobicContact CG2-CG2 4.29Å; D28-V30 PolarHBondContact O-N 3.22Å; V30-T34 VanDerWaalsContact CG1-OG1 3.25Å; V30-T34 WeakPolarHBondContact CG1-OG1 3.37Å; V30-W35 HydrophobicContact CG1-CE3 4.09Å
31E82Confident80.9Confident118 Ų11868.9 Ų68.955%0.55134%0.338SS*.  trans-63.2137.8178.6-71.4-172.8169.700111.6Y29 A33 T34 W35Y29-E31 HydrophobicContact CE1-CG 4.04Å; E31-A33 PolarHBondContact O-N 3.35Å; E31-A33 VanDerWaalsContact O-N 3.15Å; E31-T34 HydrophobicContact CB-CG2 4.23Å; E31-T34 PolarHBondContact N-OG1 2.95Å; E31-T34 WeakPolarHBondContact O-CA 3.3Å; E31-T34 PolarHBondContact O-N 3.45Å; E31-T34 PolarHBondContact O-OG1 3Å; E31-W35 PolarHBondContact O-N 3.06Å
32R79.9Confident80.9Confident200 Ų20069 Ų6976%0.75534%0.338SS*.Hα-helixtrans-58.6-32.4-177.8-168.9176-174.41802.1113.7W35 N36R32-W35 WeakPolarHBondContact O-CB 3.31Å; R32-W35 PolarHBondContact O-N 2.8Å; R32-N36 PolarHBondContact O-N 3.12Å; R32-N36 VanDerWaalsContact O-N 3.07Å; R32-N36 PolarHBondContact O-ND2 3.29Å
33A78.1Confident80.8Confident60 Ų6066.1 Ų66.150%0.49632%0.324SS..Hα-helixtrans-62.6-50.5174.400000110.6E31 W35 N36 D37E31-A33 PolarHBondContact O-N 3.35Å; E31-A33 VanDerWaalsContact O-N 3.15Å; A33-W35 VanDerWaalsContact C-N 3.29Å; A33-W35 PolarHBondContact O-N 2.77Å; A33-N36 PolarHBondContact O-N 3.4Å; A33-D37 PolarHBondContact O-N 2.87Å
34T80.8Confident80.7Confident41 Ų4165.4 Ų65.425%0.25232%0.318SS..Hα-helixtrans-61-36.9175.365.30000112.1V30 E31 N36 D37 R38V30-T34 VanDerWaalsContact CG1-OG1 3.25Å; V30-T34 WeakPolarHBondContact CG1-OG1 3.37Å; E31-T34 HydrophobicContact CB-CG2 4.23Å; E31-T34 PolarHBondContact N-OG1 2.95Å; E31-T34 WeakPolarHBondContact O-CA 3.3Å; E31-T34 PolarHBondContact O-N 3.45Å; E31-T34 PolarHBondContact O-OG1 3Å; T34-N36 PolarHBondContact O-N 2.81Å; T34-D37 PolarHBondContact O-N 3.02Å; T34-R38 VanDerWaalsContact O-CG 3.24Å; T34-R38 WeakPolarHBondContact O-CG 3.44Å; T34-R38 PolarHBondContact O-N 3.41Å
35W79.9Confident80.5Confident55 Ų5565.1 Ų65.121%0.20832%0.316CS..Hα-helixtrans-60-46.5175-167.1-105.8000112.8V24 V30 E31 R32 A33 R38 F39 L104V24-W35 HydrophobicContact CG1-CH2 4.45Å; V24-W35 HydrophobicContact CG2-CE3 4.41Å; V24-W35 HydrophobicContact CG2-CH2 3.8Å; V24-W35 HydrophobicContact CG2-CZ3 3.3Å; V30-W35 HydrophobicContact CG1-CE3 4.09Å; E31-W35 PolarHBondContact O-N 3.06Å; R32-W35 WeakPolarHBondContact O-CB 3.31Å; R32-W35 PolarHBondContact O-N 2.8Å; A33-W35 VanDerWaalsContact C-N 3.29Å; A33-W35 PolarHBondContact O-N 2.77Å; W35-R38 PolarHBondContact O-N 3.03Å; W35-F39 AromaticContact CD1-CE2 3.47Å; W35-F39 VanDerWaalsContact CD1-CE2 3.47Å; W35-F39 HydrophobicContact CG-CE2 4.39Å; W35-F39 AromaticContact NE1-CE2 3.27Å; W35-F39 VanDerWaalsContact NE1-CE2 3.27Å; W35-F39 AromaticContact NE1-CZ 3.78Å; W35-F39 VanDerWaalsContact O-CD2 3.32Å; W35-F39 WeakPolarHBondContact O-CD2 3.32Å; W35-F39 PolarHBondContact O-N 3.42Å; W35-L104 HydrophobicContact CD2-CD1 4.38Å; W35-L104 HydrophobicContact CE3-CD1 4.41Å; W35-L104 HydrophobicContact CH2-CB 3.94Å; W35-L104 HydrophobicContact CH2-CD1 4.2Å; W35-L104 HydrophobicContact CH2-CD2 4.37Å; W35-L104 HydrophobicContact CH2-CG 4.38Å; W35-L104 HydrophobicContact CZ2-CB 4.03Å; W35-L104 HydrophobicContact CZ2-CD1 4.17Å; W35-L104 HydrophobicContact CZ3-CD1 4.28Å; W35-L104 HydrophobicContact CZ3-CD2 4.36Å
36N80.4Confident80.5Confident82 Ų8265.9 Ų65.944%0.43932%0.322SS..Hα-helixtrans-67.5-36.3178.2-70.4-22.7000112.5R32 A33 T34 R38 F39 S40R32-N36 PolarHBondContact O-N 3.12Å; R32-N36 VanDerWaalsContact O-N 3.07Å; R32-N36 PolarHBondContact O-ND2 3.29Å; A33-N36 PolarHBondContact O-N 3.4Å; T34-N36 PolarHBondContact O-N 2.81Å; N36-R38 VanDerWaalsContact C-N 3.28Å; N36-R38 PolarHBondContact O-N 3.42Å; N36-F39 PolarHBondContact O-N 3.46Å; N36-S40 PolarHBondContact O-N 3.17Å; N36-S40 PolarHBondContact O-OG 3.23Å
37D82.2Confident80.5Confident85 Ų8564.9 Ų64.946%0.45532%0.319SS..Hα-helixtrans-63.5-37.3174.8-69.8-19.5000111.1A33 T34 F39 S40 D41A33-D37 PolarHBondContact O-N 2.87Å; T34-D37 PolarHBondContact O-N 3.02Å; D37-F39 PolarHBondContact O-N 2.8Å; D37-S40 CarbonylContact O-C 3.58Å; D37-S40 WeakPolarHBondContact O-CA 3.32Å; D37-S40 VanDerWaalsContact O-CB 3.3Å; D37-S40 WeakPolarHBondContact O-CB 3.33Å; D37-S40 PolarHBondContact O-N 3.01Å; D37-D41 PolarHBondContact O-N 3.32Å
38R83.4Confident80.4Confident30 Ų3061.9 Ų61.911%0.11331%0.305CS..Hα-helixtrans-69.4-31.9179-64.3-63.9154.4-81.4-10.3113.8K16 L17 T20 T34 W35 N36 S40 D41 I42 L104K16-R38 PolarHBondContact O-NE 3.1Å; L17-R38 HydrophobicContact CD1-CB 4.01Å; L17-R38 HydrophobicContact CD1-CG 4.24Å; T20-R38 HydrophobicContact CG2-CG 3.78Å; T20-R38 WeakPolarHBondContact OG1-CD 3.3Å; T20-R38 WeakPolarHBondContact OG1-CG 3.42Å; T34-R38 VanDerWaalsContact O-CG 3.24Å; T34-R38 WeakPolarHBondContact O-CG 3.44Å; T34-R38 PolarHBondContact O-N 3.41Å; W35-R38 PolarHBondContact O-N 3.03Å; N36-R38 VanDerWaalsContact C-N 3.28Å; N36-R38 PolarHBondContact O-N 3.42Å; R38-S40 VanDerWaalsContact C-N 3.26Å; R38-S40 PolarHBondContact O-N 2.71Å; R38-D41 IonicContact CZ-OD2 2.58Å; R38-D41 IonicContact NE-OD2 2.74Å; R38-D41 IonicContact NH1-OD2 3.68Å; R38-D41 PolarHBondContact NH1-OD2 2.88Å; R38-D41 PolarHBondContact O-N 2.83Å; R38-I42 WeakPolarHBondContact O-CG1 3.43Å; R38-I42 PolarHBondContact O-N 2.81Å; R38-L104 HydrophobicContact CB-CD1 3.8Å
39F81.8Confident79.6Confident72 Ų7264.5 Ų64.532%0.31631%0.308SS..Hα-helixtrans-60.1-39.9167.2-77.8-70.1000112.1W35 N36 D37 Y43 C103 L104W35-F39 AromaticContact CD1-CE2 3.47Å; W35-F39 VanDerWaalsContact CD1-CE2 3.47Å; W35-F39 HydrophobicContact CG-CE2 4.39Å; W35-F39 AromaticContact NE1-CE2 3.27Å; W35-F39 VanDerWaalsContact NE1-CE2 3.27Å; W35-F39 AromaticContact NE1-CZ 3.78Å; W35-F39 VanDerWaalsContact O-CD2 3.32Å; W35-F39 WeakPolarHBondContact O-CD2 3.32Å; W35-F39 PolarHBondContact O-N 3.42Å; N36-F39 PolarHBondContact O-N 3.46Å; D37-F39 PolarHBondContact O-N 2.8Å; F39-Y43 WeakPolarHBondContact O-CB 3.47Å; F39-Y43 PolarHBondContact O-N 2.9Å; F39-C103 VanDerWaalsContact CE1-O 3.23Å; F39-C103 WeakPolarHBondContact CE1-O 3.44Å; F39-L104 HydrophobicContact CD1-CD1 4.47Å; F39-L104 HydrophobicContact CD2-CD1 4.42Å; F39-L104 HydrophobicContact CE1-CD1 4.43Å; F39-L104 WeakPolarHBondContact CE1-O 3.46Å; F39-L104 HydrophobicContact CE2-CD1 4.41Å; F39-L104 HydrophobicContact CG-CD1 4.46Å; F39-L104 HydrophobicContact CZ-CD1 4.39Å
40S81.5Confident78.7Confident59 Ų5959.9 Ų59.941%0.41330%0.303SS..Hα-helixtrans-69.5-34.5177.9-56.50000111.8N36 D37 R38 A44N36-S40 PolarHBondContact O-N 3.17Å; N36-S40 PolarHBondContact O-OG 3.23Å; D37-S40 CarbonylContact O-C 3.58Å; D37-S40 WeakPolarHBondContact O-CA 3.32Å; D37-S40 VanDerWaalsContact O-CB 3.3Å; D37-S40 WeakPolarHBondContact O-CB 3.33Å; D37-S40 PolarHBondContact O-N 3.01Å; R38-S40 VanDerWaalsContact C-N 3.26Å; R38-S40 PolarHBondContact O-N 2.71Å; S40-A44 VanDerWaalsContact O-CB 3.29Å; S40-A44 WeakPolarHBondContact O-CB 3.32Å; S40-A44 PolarHBondContact O-N 3.21Å
41D82.9Confident78.3Confident22 Ų2265.7 Ų65.712%0.11833%0.328CS..Hα-helixtrans-67.9-45.6174.5-69.6-16.7000112.1D37 R38 Y43 A44 L45D37-D41 PolarHBondContact O-N 3.32Å; R38-D41 IonicContact CZ-OD2 2.58Å; R38-D41 IonicContact NE-OD2 2.74Å; R38-D41 IonicContact NH1-OD2 3.68Å; R38-D41 PolarHBondContact NH1-OD2 2.88Å; R38-D41 PolarHBondContact O-N 2.83Å; D41-Y43 VanDerWaalsContact C-N 3.3Å; D41-Y43 PolarHBondContact O-N 3.34Å; D41-A44 PolarHBondContact O-N 3.16Å; D41-A44 VanDerWaalsContact O-N 3.14Å; D41-L45 WeakPolarHBondContact O-CB 3.3Å; D41-L45 WeakPolarHBondContact O-CG 3.32Å; D41-L45 PolarHBondContact O-N 2.85Å
42I82Confident77.9Confident1 Ų164.4 Ų64.41%0.00533%0.33CS..Hα-helixtrans-61.5-42.4176.2-68169.6000110.3L17 R38 L45 C46 L57 L104 Y105 L108L17-I42 HydrophobicContact CD1-CD1 4.1Å; L17-I42 HydrophobicContact CD1-CG1 4.01Å; L17-I42 HydrophobicContact CD2-CG1 3.95Å; R38-I42 WeakPolarHBondContact O-CG1 3.43Å; R38-I42 PolarHBondContact O-N 2.81Å; I42-L45 PolarHBondContact O-N 3.45Å; I42-C46 WeakPolarHBondContact O-CB 3.48Å; I42-C46 PolarHBondContact O-N 3.02Å; I42-C46 PolarHBondContact O-SG 2.78Å; I42-L57 HydrophobicContact CG2-CD2 4.49Å; I42-L104 HydrophobicContact CD1-CD1 4.28Å; I42-L104 HydrophobicContact CD1-CD2 4.29Å; I42-L104 HydrophobicContact CD1-CG 3.68Å; I42-L104 VanDerWaalsContact CD1-O 3.24Å; I42-L104 WeakPolarHBondContact CD1-O 3.21Å; I42-Y105 HydrophobicContact CD1-CD1 4.02Å; I42-Y105 HydrophobicContact CD1-CD2 4.32Å; I42-Y105 HydrophobicContact CD1-CE1 4.09Å; I42-Y105 HydrophobicContact CD1-CE2 4.39Å; I42-Y105 HydrophobicContact CD1-CG 4.16Å; I42-Y105 HydrophobicContact CG1-CE1 4.38Å; I42-Y105 HydrophobicContact CG2-CD1 4.49Å; I42-L108 HydrophobicContact CG2-CB 4.16Å
43Y81.4Confident77.9Confident64 Ų6456.6 Ų56.625%0.25130%0.303SS..Hα-helixtrans-58.2-48.5172.7177.4-85.7000111.5L3 F39 D41 L45 C46 V47 Y107L3-Y43 HydrophobicContact CD2-CD1 3.93Å; L3-Y43 HydrophobicContact CD2-CD2 4.45Å; L3-Y43 HydrophobicContact CD2-CE1 3.32Å; L3-Y43 HydrophobicContact CD2-CE2 3.89Å; L3-Y43 HydrophobicContact CD2-CG 4.48Å; F39-Y43 WeakPolarHBondContact O-CB 3.47Å; F39-Y43 PolarHBondContact O-N 2.9Å; D41-Y43 VanDerWaalsContact C-N 3.3Å; D41-Y43 PolarHBondContact O-N 3.34Å; Y43-L45 VanDerWaalsContact C-N 3.34Å; Y43-L45 PolarHBondContact O-N 3.2Å; Y43-C46 PolarHBondContact O-N 3.36Å; Y43-V47 HydrophobicContact CE1-CB 4.41Å; Y43-V47 HydrophobicContact CE1-CG2 4.2Å; Y43-V47 HydrophobicContact CE2-CG2 4.16Å; Y43-V47 WeakPolarHBondContact O-CG2 3.25Å; Y43-V47 PolarHBondContact O-N 2.95Å; Y43-Y107 HydrophobicContact CD2-CD1 4.17Å; Y43-Y107 HydrophobicContact CD2-CD2 4.13Å; Y43-Y107 AromaticContact CD2-CE1 3.61Å; Y43-Y107 HydrophobicContact CD2-CE1 3.61Å; Y43-Y107 AromaticContact CD2-CE2 3.56Å; Y43-Y107 HydrophobicContact CD2-CE2 3.56Å; Y43-Y107 HydrophobicContact CD2-CG 4.41Å; Y43-Y107 AromaticContact CD2-CZ 3.27Å; Y43-Y107 HydrophobicContact CE2-CE1 4.17Å; Y43-Y107 AromaticContact CE2-CE2 3.83Å; Y43-Y107 HydrophobicContact CE2-CE2 3.83Å; Y43-Y107 AromaticContact CE2-CZ 3.47Å; Y43-Y107 VanDerWaalsContact CE2-CZ 3.47Å; Y43-Y107 WeakPolarHBondContact CE2-OH 3.31Å; Y43-Y107 HydrophobicContact CG-CE1 4.3Å
44A80.6Confident77.8Confident5 Ų553.8 Ų53.84%0.04128%0.279CS..Hα-helixtrans-64.5-36.8-178.300000112.9V8 S40 D41 V47 A48V8-A44 HydrophobicContact CG2-CB 4.21Å; S40-A44 VanDerWaalsContact O-CB 3.29Å; S40-A44 WeakPolarHBondContact O-CB 3.32Å; S40-A44 PolarHBondContact O-N 3.21Å; D41-A44 PolarHBondContact O-N 3.16Å; D41-A44 VanDerWaalsContact O-N 3.14Å; A44-V47 CarbonylContact O-C 3.57Å; A44-A48 PolarHBondContact O-N 2.92Å; A44-A48 VanDerWaalsContact O-N 3.1Å
45L79.6Confident77.6Confident0 Ų056.8 Ų56.80%029%0.291CS..Hα-helixtrans-68.9-37.9175.2-75.5172.5000112.1V8 F10 T13 L17 D41 I42 Y43 V47 L53 L57V8-L45 HydrophobicContact CG1-CD2 4.19Å; F10-L45 HydrophobicContact CD2-CD2 3.81Å; F10-L45 HydrophobicContact CE2-CD2 4.44Å; T13-L45 WeakPolarHBondContact OG1-CD2 3.24Å; L17-L45 HydrophobicContact CD2-CD1 4.33Å; D41-L45 WeakPolarHBondContact O-CB 3.3Å; D41-L45 WeakPolarHBondContact O-CG 3.32Å; D41-L45 PolarHBondContact O-N 2.85Å; I42-L45 PolarHBondContact O-N 3.45Å; Y43-L45 VanDerWaalsContact C-N 3.34Å; Y43-L45 PolarHBondContact O-N 3.2Å; L45-V47 VanDerWaalsContact C-N 3.35Å; L45-L53 HydrophobicContact CD2-CD1 4.19Å; L45-L53 PolarHBondContact O-N 3.2Å; L45-L57 HydrophobicContact CB-CD2 4.23Å; L45-L57 HydrophobicContact CD1-CD1 4.14Å; L45-L57 HydrophobicContact CD1-CD2 4.2Å
46C77.8Confident77.7Confident20 Ų2059.3 Ų59.314%0.13530%0.3CS..Hα-helixtrans-72.3-25.6177.7-67.90000113.6I42 Y43 Y107 L108I42-C46 WeakPolarHBondContact O-CB 3.48Å; I42-C46 PolarHBondContact O-N 3.02Å; I42-C46 PolarHBondContact O-SG 2.78Å; Y43-C46 PolarHBondContact O-N 3.36Å; C46-Y107 HydrophobicContact CB-CD1 3.95Å; C46-Y107 HydrophobicContact CB-CE1 3.65Å; C46-L108 WeakPolarHBondContact SG-CD1 3.35Å
47V77.6Confident77.8Confident41 Ų4155.4 Ų55.425%0.24828%0.279CS..THydrogen-bonded Turntrans-113.921.7-177.5-167.30000111.4P5 Y43 A44 L45 Y107P5-V47 WeakPolarHBondContact CA-O 2.83Å; P5-V47 HydrophobicContact CB-CG1 4.39Å; P5-V47 HydrophobicContact CG-CG1 4.08Å; Y43-V47 HydrophobicContact CE1-CB 4.41Å; Y43-V47 HydrophobicContact CE1-CG2 4.2Å; Y43-V47 HydrophobicContact CE2-CG2 4.16Å; Y43-V47 WeakPolarHBondContact O-CG2 3.25Å; Y43-V47 PolarHBondContact O-N 2.95Å; A44-V47 CarbonylContact O-C 3.57Å; L45-V47 VanDerWaalsContact C-N 3.35Å; V47-Y107 HydrophobicContact CG2-CE1 4.28Å
48A77.7Confident77.9Confident9 Ų952.1 Ų52.17%0.07426%0.26CS..  trans-65.5154.1-179.900000112.5V8 A44 E51 L53V8-A48 HydrophobicContact CG2-CB 4.46Å; A44-A48 PolarHBondContact O-N 2.92Å; A44-A48 VanDerWaalsContact O-N 3.1Å; A48-E51 CarbonylContact O-C 3.53Å; A48-L53 HydrophobicContact CB-CD1 3.51Å; A48-L53 HydrophobicContact CB-CG 4.15Å
49Y63.8Low77.9Confident155 Ų15553.9 Ų53.961%0.60828%0.275SS*.SBendtrans-122138176.6-177.9-92.4000109.1R6 V7R6-Y49 PolarHBondContact O-N 3.22Å; V7-Y49 HydrophobicContact CG2-CD1 4.41Å
50P59.9Low78Confident106 Ų10653.6 Ų53.669%0.68828%0.275SS*.SBendcis-83.9-22.115.831.6-35.2000116.5
51E71.2Confident78.2Confident155 Ų15550.8 Ų50.872%0.72426%0.255SS*.SBendtrans-126.1147.8176.2-69.5-176.1169.600111.4A48 L53A48-E51 CarbonylContact O-C 3.53Å; E51-L53 PolarHBondContact O-N 3.12Å
52P73.8Confident78.4Confident90 Ų9052.2 Ų52.258%0.58426%0.26SS*.  trans-64.2126.3173.9-17.830.7000111.6G54P52-G54 VanDerWaalsContact C-N 3.26Å; P52-G54 PolarHBondContact O-N 3.47Å
53L79.1Confident78.7Confident37 Ų3755.1 Ų55.119%0.19428%0.278CS..THydrogen-bonded Turntrans-88.316.3-177.7-66.9151.1000113.3F10 L45 A48 E51 E55 R56 L57F10-L53 HydrophobicContact CB-CD1 4.32Å; F10-L53 HydrophobicContact CB-CD2 4.27Å; F10-L53 HydrophobicContact CD2-CB 3.99Å; F10-L53 HydrophobicContact CD2-CD1 4.35Å; F10-L53 HydrophobicContact CD2-CD2 4.09Å; F10-L53 HydrophobicContact CD2-CG 4.39Å; F10-L53 HydrophobicContact CE2-CB 4.47Å; F10-L53 HydrophobicContact CG-CD2 4.45Å; L45-L53 HydrophobicContact CD2-CD1 4.19Å; L45-L53 PolarHBondContact O-N 3.2Å; A48-L53 HydrophobicContact CB-CD1 3.51Å; A48-L53 HydrophobicContact CB-CG 4.15Å; E51-L53 PolarHBondContact O-N 3.12Å; L53-E55 PolarHBondContact O-N 3.36Å; L53-R56 PolarHBondContact O-N 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.17Å; L53-L57 PolarHBondContact O-N 3.08Å
54G76.1Confident79Confident0 Ų053.6 Ų53.60%027%0.272CS..Hα-helixtrans-63.9-36.7-174.200000114.3P52 L57 Y58P52-G54 VanDerWaalsContact C-N 3.26Å; P52-G54 PolarHBondContact O-N 3.47Å; G54-L57 PolarHBondContact O-N 3.3Å; G54-Y58 PolarHBondContact O-N 3.32Å
55E77.3Confident79.4Confident105 Ų10553.3 Ų53.349%0.49127%0.27SS..Hα-helixtrans-68.7-44.4178.6-169.7179.3169.200112L53 L57 Y58 T59 F112 M132L53-E55 PolarHBondContact O-N 3.36Å; E55-L57 VanDerWaalsContact C-N 3.33Å; E55-L57 PolarHBondContact O-N 3.29Å; E55-Y58 PolarHBondContact O-N 2.82Å; E55-T59 WeakPolarHBondContact O-CB 3.44Å; E55-T59 PolarHBondContact O-N 2.9Å; E55-T59 PolarHBondContact O-OG1 3.42Å; E55-F112 VanDerWaalsContact CA-CZ 3.45Å; E55-F112 HydrophobicContact CB-CE2 4.29Å; E55-F112 HydrophobicContact CB-CZ 3.65Å; E55-F112 HydrophobicContact CG-CZ 4.33Å; E55-F112 VanDerWaalsContact N-CZ 3.32Å; E55-M132 WeakPolarHBondContact OE1-CE 3.29Å
56R81.3Confident79.8Confident107 Ų10756 Ų5640%0.40428%0.283SS..Hα-helixtrans-62.2-43.2175.2-167.8179174.2-160.6-11.5110.5F10 D11 L53 Y58 T59 E60F10-R56 HydrophobicContact CD1-CG 4.48Å; F10-R56 HydrophobicContact CE1-CG 3.95Å; F10-R56 HydrophobicContact CE2-CB 4.07Å; F10-R56 HydrophobicContact CE2-CG 3.97Å; F10-R56 HydrophobicContact CZ-CB 4.19Å; F10-R56 HydrophobicContact CZ-CG 3.67Å; D11-R56 IonicContact OD1-CZ 2.71Å; D11-R56 IonicContact OD1-NH2 3.31Å; D11-R56 PolarHBondContact OD1-NH2 3.04Å; L53-R56 PolarHBondContact O-N 3.31Å; R56-Y58 PolarHBondContact O-N 2.82Å; R56-T59 PolarHBondContact O-N 3.13Å; R56-E60 WeakPolarHBondContact O-CB 3.4Å; R56-E60 WeakPolarHBondContact O-CG 3.34Å; R56-E60 PolarHBondContact O-N 3.07Å
57L82.6Confident80.4Confident0 Ų059 Ų590%030%0.298CS..Hα-helixtrans-60.2-43.6175.3178.261.6000112.4F10 W14 L17 I42 L45 L53 G54 E55 T61 Y105 L108F10-L57 HydrophobicContact CE2-CB 4.13Å; W14-L57 HydrophobicContact CE3-CD1 3.61Å; W14-L57 HydrophobicContact CZ3-CD1 3.54Å; L17-L57 HydrophobicContact CD2-CD1 3.64Å; I42-L57 HydrophobicContact CG2-CD2 4.49Å; L45-L57 HydrophobicContact CB-CD2 4.23Å; L45-L57 HydrophobicContact CD1-CD1 4.14Å; L45-L57 HydrophobicContact CD1-CD2 4.2Å; L53-L57 WeakPolarHBondContact O-CB 3.17Å; L53-L57 PolarHBondContact O-N 3.08Å; G54-L57 PolarHBondContact O-N 3.3Å; E55-L57 VanDerWaalsContact C-N 3.33Å; E55-L57 PolarHBondContact O-N 3.29Å; L57-T61 WeakPolarHBondContact O-CB 3.4Å; L57-T61 PolarHBondContact O-N 3.17Å; L57-T61 PolarHBondContact O-OG1 3.03Å; L57-Y105 HydrophobicContact CD1-CE1 4.19Å; L57-Y105 HydrophobicContact CD2-CE1 3.97Å; L57-Y105 HydrophobicContact CG-CE1 4.01Å; L57-L108 HydrophobicContact CD2-CD1 4.32Å; L57-L108 HydrophobicContact CD2-CD2 4.17Å; L57-L108 HydrophobicContact CG-CD2 4.34Å
58Y83.9Confident80.9Confident16 Ų1657.6 Ų57.66%0.06329%0.288CS..Hα-helixtrans-63.4-45.4177-174.6-98000112G54 E55 R56 T61 K62 I113 L136 M137 I139 L142G54-Y58 PolarHBondContact O-N 3.32Å; E55-Y58 PolarHBondContact O-N 2.82Å; R56-Y58 PolarHBondContact O-N 2.82Å; Y58-T61 PolarHBondContact O-N 3.39Å; Y58-K62 PolarHBondContact O-N 3.39Å; Y58-I113 HydrophobicContact CD2-CD1 3.88Å; Y58-I113 HydrophobicContact CD2-CG1 4.48Å; Y58-I113 HydrophobicContact CE2-CD1 3.76Å; Y58-L136 HydrophobicContact CD1-CD2 3.79Å; Y58-L136 HydrophobicContact CE1-CD2 3.61Å; Y58-L136 HydrophobicContact CG-CD2 4.45Å; Y58-M137 WeakPolarHBondContact CE2-O 3.37Å; Y58-M137 PolarHBondContact OH-N 3.39Å; Y58-M137 VanDerWaalsContact OH-N 3.08Å; Y58-M137 PolarHBondContact OH-O 3.29Å; Y58-I139 HydrophobicContact CD2-CD1 3.63Å; Y58-I139 HydrophobicContact CE2-CD1 3.69Å; Y58-L142 HydrophobicContact CE1-CD2 4.46Å; Y58-L142 HydrophobicContact CE2-CD2 4.12Å
59T83.9Confident81.4Confident67 Ų6757.1 Ų57.141%0.41129%0.285SS..Hα-helixtrans-63.5-47-179.4-56.80000111.7E55 R56 T61 K62 V63E55-T59 WeakPolarHBondContact O-CB 3.44Å; E55-T59 PolarHBondContact O-N 2.9Å; E55-T59 PolarHBondContact O-OG1 3.42Å; R56-T59 PolarHBondContact O-N 3.13Å; T59-T61 VanDerWaalsContact C-N 3.31Å; T59-T61 PolarHBondContact O-N 2.77Å; T59-K62 WeakPolarHBondContact O-CB 3.24Å; T59-K62 PolarHBondContact O-N 3.09Å; T59-V63 WeakPolarHBondContact O-CG2 3.4Å; T59-V63 PolarHBondContact O-N 3.01Å
60E85Confident82.6Confident67 Ų6755.3 Ų55.331%0.31328%0.276SS..Hα-helixtrans-65.2-35.4177.5-68-62.9155.700112F10 W14 R56 V63 F64F10-E60 HydrophobicContact CE1-CG 4.11Å; F10-E60 HydrophobicContact CZ-CG 4.02Å; W14-E60 HydrophobicContact CD2-CB 4.24Å; W14-E60 HydrophobicContact CH2-CB 3.81Å; W14-E60 HydrophobicContact CZ2-CB 3.45Å; W14-E60 VanDerWaalsContact CZ2-CB 3.45Å; W14-E60 HydrophobicContact CZ3-CB 4.33Å; R56-E60 WeakPolarHBondContact O-CB 3.4Å; R56-E60 WeakPolarHBondContact O-CG 3.34Å; R56-E60 PolarHBondContact O-N 3.07Å; E60-V63 PolarHBondContact O-N 3.43Å; E60-F64 WeakPolarHBondContact O-CB 3.46Å; E60-F64 PolarHBondContact O-N 3.35Å
61T85.8Confident83.9Confident0 Ų055.5 Ų55.50%027%0.268CS..Hα-helixtrans-66-39.8173.5-55.30000111.9L57 Y58 T59 F64 L65 M101 Y105 I139L57-T61 WeakPolarHBondContact O-CB 3.4Å; L57-T61 PolarHBondContact O-N 3.17Å; L57-T61 PolarHBondContact O-OG1 3.03Å; Y58-T61 PolarHBondContact O-N 3.39Å; T59-T61 VanDerWaalsContact C-N 3.31Å; T59-T61 PolarHBondContact O-N 2.77Å; T61-F64 PolarHBondContact O-N 3.35Å; T61-L65 HydrophobicContact CG2-CD1 4.3Å; T61-L65 WeakPolarHBondContact O-CG 3.49Å; T61-L65 PolarHBondContact O-N 2.93Å; T61-M101 HydrophobicContact CG2-CE 3.92Å; T61-Y105 HydrophobicContact CG2-CE2 4.38Å; T61-Y105 PolarHBondContact OG1-OH 2.85Å; T61-Y105 VanDerWaalsContact OG1-OH 3.06Å; T61-I139 HydrophobicContact CG2-CD1 3.92Å; T61-I139 HydrophobicContact CG2-CG2 4.41Å
62K86.4Confident84.7Confident51 Ų5148.5 Ų48.522%0.22224%0.236CC..Hα-helixtrans-60.7-49.7173.4-177.6177.7177-176.40111.4Y58 T59 F64 L65 E66 E134 L142Y58-K62 PolarHBondContact O-N 3.39Å; T59-K62 WeakPolarHBondContact O-CB 3.24Å; T59-K62 PolarHBondContact O-N 3.09Å; K62-F64 VanDerWaalsContact C-N 3.29Å; K62-F64 PolarHBondContact O-N 3.32Å; K62-L65 PolarHBondContact O-N 3.05Å; K62-E66 WeakPolarHBondContact O-CB 3.39Å; K62-E66 PolarHBondContact O-N 3.18Å; K62-E134 IonicContact NZ-OE2 3.66Å; K62-E134 PolarHBondContact NZ-OE2 3.4Å; K62-L142 HydrophobicContact CB-CD2 3.88Å; K62-L142 HydrophobicContact CD-CD1 4.35Å; K62-L142 HydrophobicContact CG-CD1 4.21Å; K62-L142 HydrophobicContact CG-CD2 4.17Å
63V87.8Confident85.4Confident62 Ų6247.2 Ų47.238%0.37622%0.22SC..Hα-helixtrans-59.9-41.3178.6171.70000111.1T59 E60 N67T59-V63 WeakPolarHBondContact O-CG2 3.4Å; T59-V63 PolarHBondContact O-N 3.01Å; E60-V63 PolarHBondContact O-N 3.43Å; V63-N67 WeakPolarHBondContact O-CB 3.44Å; V63-N67 PolarHBondContact O-N 2.87Å; V63-N67 PolarHBondContact O-ND2 3.11Å; V63-N67 VanDerWaalsContact O-ND2 3.09Å
64F88.9Confident85.7Confident32 Ų3252.1 Ų52.114%0.1424%0.24CC..Hα-helixtrans-62.7-50.1175.4170.6-94.9000112.3L18 I21 K22 V25 E60 T61 K62 E66 N67 H68L18-F64 HydrophobicContact CD1-CB 4.19Å; L18-F64 HydrophobicContact CD1-CD2 3.31Å; L18-F64 HydrophobicContact CD1-CE2 3.81Å; L18-F64 HydrophobicContact CD1-CG 3.77Å; I21-F64 HydrophobicContact CB-CE1 4.47Å; I21-F64 HydrophobicContact CG2-CD1 3.7Å; I21-F64 HydrophobicContact CG2-CE1 3.38Å; I21-F64 HydrophobicContact CG2-CZ 4.1Å; K22-F64 HydrophobicContact CB-CE2 4.24Å; K22-F64 HydrophobicContact CB-CZ 4.08Å; K22-F64 HydrophobicContact CG-CE2 4.48Å; K22-F64 HydrophobicContact CG-CZ 4.43Å; V25-F64 HydrophobicContact CG2-CE1 4.21Å; E60-F64 WeakPolarHBondContact O-CB 3.46Å; E60-F64 PolarHBondContact O-N 3.35Å; T61-F64 PolarHBondContact O-N 3.35Å; K62-F64 VanDerWaalsContact C-N 3.29Å; K62-F64 PolarHBondContact O-N 3.32Å; F64-E66 VanDerWaalsContact C-N 3.34Å; F64-E66 PolarHBondContact O-N 2.97Å; F64-N67 PolarHBondContact O-N 3.34Å; F64-H68 HydrophobicContact CZ-CB 4.5Å; F64-H68 WeakPolarHBondContact O-CB 3.29Å; F64-H68 PolarHBondContact O-N 3.28Å
65L87.6Confident86.2Confident0 Ų056.4 Ų56.40%026%0.258CS..Hα-helixtrans-60-44.7179.2-77.2171.4000111.3T61 K62 H68 V69 Y94 M101 L142 A143T61-L65 HydrophobicContact CG2-CD1 4.3Å; T61-L65 WeakPolarHBondContact O-CG 3.49Å; T61-L65 PolarHBondContact O-N 2.93Å; K62-L65 PolarHBondContact O-N 3.05Å; L65-H68 PolarHBondContact O-N 3.33Å; L65-V69 VanDerWaalsContact O-CG2 3.26Å; L65-V69 WeakPolarHBondContact O-CG2 3.49Å; L65-V69 PolarHBondContact O-N 2.92Å; L65-Y94 HydrophobicContact CD2-CE2 4.24Å; L65-M101 HydrophobicContact CD1-CE 4.1Å; L65-M101 HydrophobicContact CD2-CE 3.83Å; L65-M101 HydrophobicContact CD2-SD 3.89Å; L65-M101 HydrophobicContact CG-CE 4.08Å; L65-L142 HydrophobicContact CD1-CD2 4.25Å; L65-L142 HydrophobicContact CD1-CG 4.43Å; L65-A143 HydrophobicContact CD1-CB 4.18Å; L65-A143 HydrophobicContact CD2-CB 4.39Å
66E88.9Confident86.5Confident56 Ų5651.4 Ų51.426%0.26224%0.235SC..Hα-helixtrans-58.8-49.9176.3172.7168.1-168.800111.7K62 F64 H68 V69 R70 M146 L150K62-E66 WeakPolarHBondContact O-CB 3.39Å; K62-E66 PolarHBondContact O-N 3.18Å; F64-E66 VanDerWaalsContact C-N 3.34Å; F64-E66 PolarHBondContact O-N 2.97Å; E66-H68 VanDerWaalsContact C-N 3.31Å; E66-H68 PolarHBondContact O-N 3Å; E66-V69 PolarHBondContact O-N 2.94Å; E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 VanDerWaalsContact O-CG 3.29Å; E66-R70 WeakPolarHBondContact O-CG 3.45Å; E66-R70 PolarHBondContact O-N 2.91Å; E66-R70 IonicContact OE1-CZ 3.47Å; E66-R70 VanDerWaalsContact OE1-CZ 3.28Å; E66-R70 IonicContact OE1-NE 3.73Å; E66-R70 PolarHBondContact OE1-NE 3.02Å; E66-R70 IonicContact OE1-NH2 2.66Å; E66-R70 PolarHBondContact OE1-NH2 3.47Å; E66-M146 HydrophobicContact CB-SD 4.45Å; E66-L150 HydrophobicContact CB-CD1 4.38Å; E66-L150 HydrophobicContact CG-CD1 3.91Å
67N88.9Confident86.5Confident84 Ų8450.3 Ų50.345%0.44924%0.237SC..Hα-helixtrans-62.3-39.7178.9-79.5-39.2000112.2V63 F64 R70 Q71V63-N67 WeakPolarHBondContact O-CB 3.44Å; V63-N67 PolarHBondContact O-N 2.87Å; V63-N67 PolarHBondContact O-ND2 3.11Å; V63-N67 VanDerWaalsContact O-ND2 3.09Å; F64-N67 PolarHBondContact O-N 3.34Å; N67-R70 PolarHBondContact O-N 3.09Å; N67-Q71 WeakPolarHBondContact O-CG 3.48Å; N67-Q71 PolarHBondContact O-N 3.23Å
68H88.5Confident86.4Confident10 Ų1057.8 Ų57.85%0.04627%0.272CS..Hα-helixtrans-64.8-48177.7-179.170.8000111.7V25 M26 F64 L65 E66 R70 Q71 L72 Y94V25-H68 WeakPolarHBondContact CG1-CD2 3.25Å; V25-H68 WeakPolarHBondContact CG1-NE2 3.42Å; M26-H68 WeakPolarHBondContact CE-CE1 3.21Å; F64-H68 HydrophobicContact CZ-CB 4.5Å; F64-H68 WeakPolarHBondContact O-CB 3.29Å; F64-H68 PolarHBondContact O-N 3.28Å; L65-H68 PolarHBondContact O-N 3.33Å; E66-H68 VanDerWaalsContact C-N 3.31Å; E66-H68 PolarHBondContact O-N 3Å; H68-R70 VanDerWaalsContact C-N 3.33Å; H68-R70 PolarHBondContact O-N 3.3Å; H68-Q71 WeakPolarHBondContact O-CB 3.42Å; H68-Q71 PolarHBondContact O-N 3.39Å; H68-Q71 VanDerWaalsContact O-N 3.11Å; H68-L72 WeakPolarHBondContact NE2-CD1 3.38Å; H68-L72 PolarHBondContact O-N 3.01Å; H68-Y94 AromaticContact CD2-CD2 3.94Å; H68-Y94 AromaticContact CD2-CE2 3.94Å
69V89Confident85.7Confident0 Ų058.8 Ų58.80%028%0.281CS..Hα-helixtrans-63.3-38.9177.6178.90000111.1L65 E66 Q71 L72 Y73 Y94 M146 W147 L150 M151L65-V69 VanDerWaalsContact O-CG2 3.26Å; L65-V69 WeakPolarHBondContact O-CG2 3.49Å; L65-V69 PolarHBondContact O-N 2.92Å; E66-V69 PolarHBondContact O-N 2.94Å; V69-Q71 VanDerWaalsContact C-N 3.3Å; V69-Q71 PolarHBondContact O-N 2.81Å; V69-L72 PolarHBondContact O-N 2.89Å; V69-Y73 WeakPolarHBondContact O-CB 3.45Å; V69-Y73 PolarHBondContact O-N 3.33Å; V69-Y94 HydrophobicContact CG2-CD2 4.42Å; V69-Y94 HydrophobicContact CG2-CE1 4.41Å; V69-Y94 HydrophobicContact CG2-CE2 3.56Å; V69-Y94 WeakPolarHBondContact CG2-OH 3.45Å; V69-M146 HydrophobicContact CG2-CB 4.47Å; V69-W147 HydrophobicContact CG1-CE3 4.3Å; V69-W147 HydrophobicContact CG2-CE3 4.3Å; V69-L150 HydrophobicContact CB-CD1 4.17Å; V69-L150 HydrophobicContact CG1-CB 3.63Å; V69-L150 HydrophobicContact CG1-CD1 4.16Å; V69-M151 HydrophobicContact CG1-CG 3.43Å; V69-M151 VanDerWaalsContact CG1-CG 3.43Å; V69-M151 HydrophobicContact CG1-SD 4.09Å
70R88.3Confident84.7Confident116 Ų11663.8 Ų63.844%0.43830%0.299SS..Hα-helixtrans-61.9-35.2173.4-73.3178.5-175.8-76.32.8112.9E66 N67 H68 K74 L150E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 VanDerWaalsContact O-CG 3.29Å; E66-R70 WeakPolarHBondContact O-CG 3.45Å; E66-R70 PolarHBondContact O-N 2.91Å; E66-R70 IonicContact OE1-CZ 3.47Å; E66-R70 VanDerWaalsContact OE1-CZ 3.28Å; E66-R70 IonicContact OE1-NE 3.73Å; E66-R70 PolarHBondContact OE1-NE 3.02Å; E66-R70 IonicContact OE1-NH2 2.66Å; E66-R70 PolarHBondContact OE1-NH2 3.47Å; N67-R70 PolarHBondContact O-N 3.09Å; H68-R70 VanDerWaalsContact C-N 3.33Å; H68-R70 PolarHBondContact O-N 3.3Å; R70-K74 WeakPolarHBondContact O-CG 3.43Å; R70-K74 PolarHBondContact O-N 2.85Å; R70-L150 HydrophobicContact CG-CD1 4.27Å; R70-L150 HydrophobicContact CG-CD2 4.42Å
71Q87.9Confident83.6Confident111 Ų11169.3 Ų69.352%0.51933%0.325SS..Hα-helixtrans-69.3-41.3174.2-72.917510.300111.7N67 H68 V69 Y73 K74 K75N67-Q71 WeakPolarHBondContact O-CG 3.48Å; N67-Q71 PolarHBondContact O-N 3.23Å; H68-Q71 WeakPolarHBondContact O-CB 3.42Å; H68-Q71 PolarHBondContact O-N 3.39Å; H68-Q71 VanDerWaalsContact O-N 3.11Å; V69-Q71 VanDerWaalsContact C-N 3.3Å; V69-Q71 PolarHBondContact O-N 2.81Å; Q71-Y73 VanDerWaalsContact C-N 3.34Å; Q71-K74 PolarHBondContact O-N 2.85Å; Q71-K75 WeakPolarHBondContact O-CG 3.45Å; Q71-K75 PolarHBondContact O-N 3.28Å
72L87.7Confident83.2Confident8 Ų876.2 Ų76.24%0.04236%0.355CS..Hα-helixtrans-62.9-41.4174.4-66.6-179.2000111.5H68 V69 K74 K75 V76 Y90 Y94 W147 M151H68-L72 WeakPolarHBondContact NE2-CD1 3.38Å; H68-L72 PolarHBondContact O-N 3.01Å; V69-L72 PolarHBondContact O-N 2.89Å; L72-K74 PolarHBondContact O-N 3.4Å; L72-K75 PolarHBondContact O-N 2.78Å; L72-V76 WeakPolarHBondContact O-CG2 3.39Å; L72-V76 PolarHBondContact O-N 3.15Å; L72-Y90 HydrophobicContact CD2-CD1 4.05Å; L72-Y90 HydrophobicContact CD2-CE1 4.3Å; L72-Y90 HydrophobicContact CD2-CG 4.2Å; L72-Y94 HydrophobicContact CD1-CD2 4.34Å; L72-W147 HydrophobicContact CD1-CH2 4.29Å; L72-W147 HydrophobicContact CD1-CZ3 3.71Å; L72-M151 HydrophobicContact CB-CE 4.5Å; L72-M151 HydrophobicContact CB-SD 4.43Å
73Y87.6Confident83.1Confident63 Ų6374.2 Ų74.225%0.24735%0.347CS..Hα-helixtrans-55.9-46.9175.4179.8-106.7000112.3V69 Q71 K75 V76 L77 L150 M151 P154 L155V69-Y73 WeakPolarHBondContact O-CB 3.45Å; V69-Y73 PolarHBondContact O-N 3.33Å; Q71-Y73 VanDerWaalsContact C-N 3.34Å; Y73-K75 PolarHBondContact O-N 2.84Å; Y73-V76 PolarHBondContact O-N 3.46Å; Y73-L77 HydrophobicContact CD1-CD1 3.91Å; Y73-L77 HydrophobicContact CE1-CD1 3.3Å; Y73-L77 HydrophobicContact CE1-CG 4.09Å; Y73-L77 HydrophobicContact CE2-CD1 4.37Å; Y73-L77 HydrophobicContact CE2-CG 4.34Å; Y73-L77 PolarHBondContact O-N 2.89Å; Y73-L150 WeakPolarHBondContact CD2-O 3.35Å; Y73-M151 WeakPolarHBondContact CA-SD 3.39Å; Y73-M151 VanDerWaalsContact CB-SD 3.53Å; Y73-M151 HydrophobicContact CD2-SD 4.05Å; Y73-M151 HydrophobicContact CG-SD 4.3Å; Y73-M151 PolarHBondContact N-SD 2.96Å; Y73-P154 HydrophobicContact CD2-CG 4.21Å; Y73-P154 HydrophobicContact CE2-CB 3.84Å; Y73-P154 HydrophobicContact CE2-CG 3.59Å; Y73-L155 HydrophobicContact CD2-CD1 4.25Å; Y73-L155 HydrophobicContact CD2-CD2 4.49Å; Y73-L155 HydrophobicContact CD2-CG 4.23Å; Y73-L155 HydrophobicContact CE2-CD1 4.29Å; Y73-L155 HydrophobicContact CE2-CD2 3.79Å; Y73-L155 HydrophobicContact CE2-CG 3.79Å
74K86.9Confident82.9Confident140 Ų14071.9 Ų71.961%0.60933%0.332SS*.Hα-helixtrans-59.2-44.7176.5-71.2179.3-179.5-175.80112.3R70 Q71 L72 V76 L77 E78R70-K74 WeakPolarHBondContact O-CG 3.43Å; R70-K74 PolarHBondContact O-N 2.85Å; Q71-K74 PolarHBondContact O-N 2.85Å; L72-K74 PolarHBondContact O-N 3.4Å; K74-V76 VanDerWaalsContact C-N 3.28Å; K74-V76 PolarHBondContact O-N 3.02Å; K74-L77 PolarHBondContact O-N 3.34Å; K74-E78 WeakPolarHBondContact O-CG 3.18Å; K74-E78 PolarHBondContact O-N 3.44Å
75K85.4Confident82.8Confident89 Ų8974.1 Ų74.139%0.38735%0.349SS..Hα-helixtrans-63.3-33.5177.6-68.9178.4179.3-179.80112.9Q71 L72 Y73 S79 Y90Q71-K75 WeakPolarHBondContact O-CG 3.45Å; Q71-K75 PolarHBondContact O-N 3.28Å; L72-K75 PolarHBondContact O-N 2.78Å; Y73-K75 PolarHBondContact O-N 2.84Å; K75-S79 PolarHBondContact O-OG 2.96Å; K75-Y90 HydrophobicContact CB-CE2 4.21Å
76V84.9Confident82.8Confident0 Ų075.9 Ų75.90%036%0.357CS..Hα-helixtrans-72.8-38.1177.7172.60000111.3L72 Y73 K74 E78 S79 V83 Y90 M151 L155L72-V76 WeakPolarHBondContact O-CG2 3.39Å; L72-V76 PolarHBondContact O-N 3.15Å; Y73-V76 PolarHBondContact O-N 3.46Å; K74-V76 VanDerWaalsContact C-N 3.28Å; K74-V76 PolarHBondContact O-N 3.02Å; V76-E78 VanDerWaalsContact C-N 3.35Å; V76-E78 PolarHBondContact O-N 2.65Å; V76-S79 PolarHBondContact O-N 2.95Å; V76-V83 HydrophobicContact CG1-CG2 3.49Å; V76-V83 VanDerWaalsContact CG1-CG2 3.49Å; V76-Y90 HydrophobicContact CG2-CD2 3.51Å; V76-Y90 HydrophobicContact CG2-CE2 3.79Å; V76-M151 HydrophobicContact CB-CE 4.43Å; V76-M151 HydrophobicContact CG2-CE 3.89Å; V76-L155 HydrophobicContact CB-CD1 4.5Å; V76-L155 HydrophobicContact CG1-CD1 3.68Å
77L81.5Confident82.8Confident85 Ų8573.2 Ų73.245%0.44535%0.345SS..Hα-helixtrans-65.8-33.2176.5-75177.2000113.6Y73 K74 S79 L155Y73-L77 HydrophobicContact CD1-CD1 3.91Å; Y73-L77 HydrophobicContact CE1-CD1 3.3Å; Y73-L77 HydrophobicContact CE1-CG 4.09Å; Y73-L77 HydrophobicContact CE2-CD1 4.37Å; Y73-L77 HydrophobicContact CE2-CG 4.34Å; Y73-L77 PolarHBondContact O-N 2.89Å; K74-L77 PolarHBondContact O-N 3.34Å; L77-S79 PolarHBondContact O-N 3Å; L77-L155 HydrophobicContact CD2-CD2 4.03Å
78E79.8Confident82.8Confident157 Ų15770.1 Ų70.173%0.73433%0.328SS*.THydrogen-bonded Turntrans-66.1-15.4177.5-71.5167.7-171.800113.1K74 V76K74-E78 WeakPolarHBondContact O-CG 3.18Å; K74-E78 PolarHBondContact O-N 3.44Å; V76-E78 VanDerWaalsContact C-N 3.35Å; V76-E78 PolarHBondContact O-N 2.65Å
79S68.3Low82.9Confident36 Ų3674.9 Ų74.925%0.25235%0.345SS..  trans-108.866.8-174.2-60.10000111.9K75 V76 L77 E81 K82 V83K75-S79 PolarHBondContact O-OG 2.96Å; V76-S79 PolarHBondContact O-N 2.95Å; L77-S79 PolarHBondContact O-N 3Å; S79-E81 VanDerWaalsContact C-N 3.33Å; S79-E81 PolarHBondContact O-N 3.36Å; S79-K82 PolarHBondContact O-N 3.45Å; S79-V83 PolarHBondContact O-N 3.24Å; S79-V83 VanDerWaalsContact O-N 3.16Å
80E62.6Low82.9Confident172 Ų17276 Ų7680%0.80435%0.35SS*.THydrogen-bonded Turntrans-56-39.3-175-68.4-170.5163.500113.9
81E63.3Low83Confident184 Ų18471.3 Ų71.386%0.8633%0.332SS*.THydrogen-bonded Turntrans-85.3-17.3-176.6-68.2-173.2162.800114.9S79S79-E81 VanDerWaalsContact C-N 3.33Å; S79-E81 PolarHBondContact O-N 3.36Å
82K77.3Confident83.1Confident145 Ų14569.1 Ų69.163%0.6332%0.322SS*.THydrogen-bonded Turntrans-125.721.3-174.1-66.2-178-176.4173.10113.7S79 L84 V85 M86S79-K82 PolarHBondContact O-N 3.45Å; K82-L84 VanDerWaalsContact C-N 3.28Å; K82-L84 PolarHBondContact O-N 2.98Å; K82-V85 PolarHBondContact O-N 3.02Å; K82-M86 HydrophobicContact CB-CG 4.35Å; K82-M86 WeakPolarHBondContact O-CG 3.19Å; K82-M86 PolarHBondContact O-N 3.42Å
83V84.5Confident83.1Confident9 Ų971.9 Ų71.96%0.05534%0.335CS..Hα-helixtrans-54-39.6-174.668.50000113V76 S79 Y87 V158 M162V76-V83 HydrophobicContact CG1-CG2 3.49Å; V76-V83 VanDerWaalsContact CG1-CG2 3.49Å; S79-V83 PolarHBondContact O-N 3.24Å; S79-V83 VanDerWaalsContact O-N 3.16Å; V83-Y87 WeakPolarHBondContact O-CB 3.41Å; V83-Y87 PolarHBondContact O-N 3.49Å; V83-V158 HydrophobicContact CG1-CG1 4.34Å; V83-M162 HydrophobicContact CG1-CE 3.79Å; V83-M162 HydrophobicContact CG1-SD 3.19Å; V83-M162 WeakPolarHBondContact CG1-SD 3.46Å
84L83.9Confident83.2Confident12 Ų1269 Ų696%0.06332%0.323CS..Hα-helixtrans-64.3-47.1179.1-105.277.8000113.4K82 H88 L159 M162 L163 V180K82-L84 VanDerWaalsContact C-N 3.28Å; K82-L84 PolarHBondContact O-N 2.98Å; L84-H88 WeakPolarHBondContact O-CB 3.47Å; L84-H88 PolarHBondContact O-N 3.18Å; L84-L159 HydrophobicContact CD1-CD2 3.97Å; L84-L159 HydrophobicContact CG-CD2 4.35Å; L84-M162 HydrophobicContact CD1-CB 3.29Å; L84-M162 HydrophobicContact CD1-CE 3.87Å; L84-M162 HydrophobicContact CD1-CG 4.05Å; L84-M162 HydrophobicContact CD1-SD 3.61Å; L84-M162 HydrophobicContact CD2-CB 4.45Å; L84-L163 HydrophobicContact CD2-CD2 3.65Å; L84-L163 HydrophobicContact CD2-CG 4.02Å; L84-V180 HydrophobicContact CB-CG1 4.34Å
85V86.7Confident83.3Confident80 Ų8063.2 Ų63.249%0.48530%0.3SS..Hα-helixtrans-70.1-41.2-176.8-179.30000110K82 H88 R89 V180K82-V85 PolarHBondContact O-N 3.02Å; V85-H88 PolarHBondContact O-N 3.04Å; V85-R89 PolarHBondContact O-N 3.04Å; V85-V180 HydrophobicContact CG2-CG1 4.32Å; V85-V180 HydrophobicContact CG2-CG2 4.38Å
86M86.1Confident83.3Confident36 Ų3663.1 Ų63.118%0.17730%0.3CS..Hα-helixtrans-65.7-44.3177.1-68.3-66.1-74.300111.4K82 R89 Y90K82-M86 HydrophobicContact CB-CG 4.35Å; K82-M86 WeakPolarHBondContact O-CG 3.19Å; K82-M86 PolarHBondContact O-N 3.42Å; M86-R89 PolarHBondContact O-N 2.93Å; M86-R89 PolarHBondContact SD-NH2 2.93Å; M86-R89 VanDerWaalsContact SD-NH2 3.38Å; M86-Y90 HydrophobicContact CB-CE2 4.42Å; M86-Y90 HydrophobicContact CE-CE2 3.87Å; M86-Y90 VanDerWaalsContact CE-OH 3.31Å; M86-Y90 WeakPolarHBondContact CE-OH 3.45Å; M86-Y90 WeakPolarHBondContact O-CD2 3.34Å; M86-Y90 PolarHBondContact O-N 3.41Å
87Y89.6Confident83.4Confident0 Ų063.1 Ų63.10%030%0.3CS..Hα-helixtrans-58.7-48.4173.1175.1-88.3000111.3V83 R89 Y90 W91 W147 M151 I152 L155 L159 V184 S187V83-Y87 WeakPolarHBondContact O-CB 3.41Å; V83-Y87 PolarHBondContact O-N 3.49Å; Y87-R89 PolarHBondContact O-N 3.39Å; Y87-Y90 PolarHBondContact O-N 2.9Å; Y87-W91 HydrophobicContact CE1-CB 4.34Å; Y87-W91 VanDerWaalsContact O-CB 3.3Å; Y87-W91 WeakPolarHBondContact O-CB 3.31Å; Y87-W91 PolarHBondContact O-N 3.11Å; Y87-W147 HydrophobicContact CD2-CZ2 4.21Å; Y87-W147 AromaticContact CE2-CE2 3.97Å; Y87-W147 AromaticContact CE2-CZ2 3.76Å; Y87-W147 HydrophobicContact CE2-CZ2 3.76Å; Y87-W147 AromaticContact CE2-NE1 3.65Å; Y87-W147 AromaticContact CZ-NE1 3.56Å; Y87-W147 PolarHBondContact OH-NE1 3.39Å; Y87-M151 HydrophobicContact CD2-CE 4.17Å; Y87-M151 HydrophobicContact CE2-CB 4.26Å; Y87-M151 HydrophobicContact CE2-CE 4.46Å; Y87-I152 HydrophobicContact CE2-CG1 4.42Å; Y87-I152 WeakPolarHBondContact OH-CG1 3.45Å; Y87-L155 HydrophobicContact CD2-CD1 4.29Å; Y87-L159 HydrophobicContact CD1-CD1 4.45Å; Y87-L159 HydrophobicContact CD1-CD2 4.44Å; Y87-L159 HydrophobicContact CD2-CD1 4.06Å; Y87-L159 HydrophobicContact CE1-CD1 4.46Å; Y87-L159 HydrophobicContact CE2-CD1 4.03Å; Y87-L159 HydrophobicContact CG-CD1 4.28Å; Y87-L159 HydrophobicContact CG-CD2 4.2Å; Y87-V184 HydrophobicContact CD1-CB 4.47Å; Y87-V184 HydrophobicContact CD1-CG1 4.01Å; Y87-V184 HydrophobicContact CD1-CG2 3.85Å; Y87-V184 HydrophobicContact CE1-CB 4.46Å; Y87-V184 HydrophobicContact CE1-CG1 3.88Å; Y87-V184 HydrophobicContact CE1-CG2 4.29Å; Y87-S187 PolarHBondContact OH-OG 2.92Å
88H89.8Confident83.7Confident20 Ų2059.2 Ų59.29%0.09328%0.28CS..Hα-helixtrans-59.2-45.1179.6175.550.4000112.3L84 V85 W91 E92 V180 V184L84-H88 WeakPolarHBondContact O-CB 3.47Å; L84-H88 PolarHBondContact O-N 3.18Å; V85-H88 PolarHBondContact O-N 3.04Å; H88-W91 PolarHBondContact O-N 2.88Å; H88-E92 WeakPolarHBondContact O-CB 3.37Å; H88-E92 PolarHBondContact O-N 3.38Å; H88-V180 HydrophobicContact CB-CG1 3.98Å; H88-V184 HydrophobicContact CB-CG2 3.89Å
89R88.9Confident84Confident110 Ų11056 Ų5642%0.41527%0.267SS..Hα-helixtrans-61.1-50.3177.8-177-178.466.1179.80.4111.3V85 M86 Y87 W91 E92 E93V85-R89 PolarHBondContact O-N 3.04Å; M86-R89 PolarHBondContact O-N 2.93Å; M86-R89 PolarHBondContact SD-NH2 2.93Å; M86-R89 VanDerWaalsContact SD-NH2 3.38Å; Y87-R89 PolarHBondContact O-N 3.39Å; R89-W91 VanDerWaalsContact C-N 3.29Å; R89-W91 PolarHBondContact O-N 3.37Å; R89-E92 PolarHBondContact O-N 3.35Å; R89-E93 WeakPolarHBondContact CG-OE1 3.34Å; R89-E93 WeakPolarHBondContact O-CG 3.49Å; R89-E93 PolarHBondContact O-N 3.31Å
90Y89.9Confident84.8Confident24 Ų2460.3 Ų60.39%0.09428%0.279CS..Hα-helixtrans-66.2-33.5-179.8-65.3-40.5000112.5L72 K75 V76 M86 Y87 Y94L72-Y90 HydrophobicContact CD2-CD1 4.05Å; L72-Y90 HydrophobicContact CD2-CE1 4.3Å; L72-Y90 HydrophobicContact CD2-CG 4.2Å; K75-Y90 HydrophobicContact CB-CE2 4.21Å; V76-Y90 HydrophobicContact CG2-CD2 3.51Å; V76-Y90 HydrophobicContact CG2-CE2 3.79Å; M86-Y90 HydrophobicContact CB-CE2 4.42Å; M86-Y90 HydrophobicContact CE-CE2 3.87Å; M86-Y90 VanDerWaalsContact CE-OH 3.31Å; M86-Y90 WeakPolarHBondContact CE-OH 3.45Å; M86-Y90 WeakPolarHBondContact O-CD2 3.34Å; M86-Y90 PolarHBondContact O-N 3.41Å; Y87-Y90 PolarHBondContact O-N 2.9Å; Y90-Y94 WeakPolarHBondContact O-CB 3.36Å; Y90-Y94 PolarHBondContact O-N 2.99Å
91W90.4Very high85.8Confident16 Ų1652.1 Ų52.16%0.06124%0.241CC..Hα-helixtrans-63.9-44.7171.5170.3-106.9000112Y87 H88 R89 E93 Y94 S95 L144 W147 S187 H190 V191Y87-W91 HydrophobicContact CE1-CB 4.34Å; Y87-W91 VanDerWaalsContact O-CB 3.3Å; Y87-W91 WeakPolarHBondContact O-CB 3.31Å; Y87-W91 PolarHBondContact O-N 3.11Å; H88-W91 PolarHBondContact O-N 2.88Å; R89-W91 VanDerWaalsContact C-N 3.29Å; R89-W91 PolarHBondContact O-N 3.37Å; W91-E93 VanDerWaalsContact C-N 3.34Å; W91-E93 PolarHBondContact O-N 3.48Å; W91-Y94 PolarHBondContact O-N 3.33Å; W91-S95 WeakPolarHBondContact O-CB 3.49Å; W91-S95 PolarHBondContact O-N 2.89Å; W91-L144 HydrophobicContact CH2-CD2 3.65Å; W91-L144 HydrophobicContact CZ3-CD2 4.25Å; W91-W147 HydrophobicContact CB-CH2 4.49Å; W91-W147 HydrophobicContact CB-CZ2 3.86Å; W91-W147 AromaticContact CE3-CD1 3.45Å; W91-W147 VanDerWaalsContact CE3-CD1 3.45Å; W91-W147 AromaticContact CE3-CD2 3.76Å; W91-W147 HydrophobicContact CE3-CD2 3.76Å; W91-W147 AromaticContact CE3-CE2 3.44Å; W91-W147 VanDerWaalsContact CE3-CE2 3.44Å; W91-W147 AromaticContact CE3-CG 3.79Å; W91-W147 HydrophobicContact CE3-CG 3.79Å; W91-W147 HydrophobicContact CE3-CZ2 4.03Å; W91-W147 AromaticContact CE3-NE1 3.23Å; W91-W147 HydrophobicContact CZ3-CB 4.2Å; W91-W147 AromaticContact CZ3-CD1 3.35Å; W91-W147 HydrophobicContact CZ3-CD2 4.05Å; W91-W147 AromaticContact CZ3-CG 3.6Å; W91-W147 HydrophobicContact CZ3-CG 3.6Å; W91-W147 AromaticContact CZ3-NE1 3.68Å; W91-S187 VanDerWaalsContact CE2-CB 3.41Å; W91-S187 VanDerWaalsContact CE2-OG 3.24Å; W91-H190 HydrophobicContact CH2-CB 4.38Å; W91-H190 AromaticContact CH2-CD2 3.83Å; W91-H190 HydrophobicContact CZ2-CB 3.81Å; W91-H190 AromaticContact CZ2-CD2 3.56Å; W91-V191 HydrophobicContact CH2-CG2 3.37Å; W91-V191 HydrophobicContact CZ2-CG2 4.3Å; W91-V191 HydrophobicContact CZ3-CG2 3.65Å
92E89.4Confident86.9Confident66 Ų6644.8 Ų44.831%0.30821%0.207SC..Hα-helixtrans-62-42.8178.5-175.4176.2-176.700111.5H88 R89 K96H88-E92 WeakPolarHBondContact O-CB 3.37Å; H88-E92 PolarHBondContact O-N 3.38Å; R89-E92 PolarHBondContact O-N 3.35Å; E92-K96 HydrophobicContact CG-CD 4.35Å; E92-K96 WeakPolarHBondContact O-CD 3.49Å; E92-K96 VanDerWaalsContact O-CG 3.32Å; E92-K96 WeakPolarHBondContact O-CG 3.4Å; E92-K96 PolarHBondContact O-N 3.32Å; E92-K96 IonicContact OE1-NZ 2.79Å; E92-K96 PolarHBondContact OE1-NZ 2.96Å
93E88.6Confident87.2Confident66 Ų6641.1 Ų41.131%0.30820%0.2SC..Hα-helixtrans-65.6-51.1176.3-69.8168.7-174.300111.3L27 R89 W91 K96 G97L27-E93 HydrophobicContact CD1-CB 4.18Å; L27-E93 HydrophobicContact CD1-CG 4.12Å; R89-E93 WeakPolarHBondContact CG-OE1 3.34Å; R89-E93 WeakPolarHBondContact O-CG 3.49Å; R89-E93 PolarHBondContact O-N 3.31Å; W91-E93 VanDerWaalsContact C-N 3.34Å; W91-E93 PolarHBondContact O-N 3.48Å; E93-K96 PolarHBondContact O-N 3.08Å; E93-G97 PolarHBondContact O-N 3.37Å
94Y89.5Confident87.1Confident3 Ų340.7 Ų40.71%0.01220%0.197CC..Hα-helixtrans-66.5-41.3-176.6-175.8-96.3000112.9V25 L65 H68 V69 L72 Y90 W91 G97 A98 A143 W147V25-Y94 HydrophobicContact CG1-CD2 4.06Å; V25-Y94 HydrophobicContact CG1-CE2 4.35Å; L65-Y94 HydrophobicContact CD2-CE2 4.24Å; H68-Y94 AromaticContact CD2-CD2 3.94Å; H68-Y94 AromaticContact CD2-CE2 3.94Å; V69-Y94 HydrophobicContact CG2-CD2 4.42Å; V69-Y94 HydrophobicContact CG2-CE1 4.41Å; V69-Y94 HydrophobicContact CG2-CE2 3.56Å; V69-Y94 WeakPolarHBondContact CG2-OH 3.45Å; L72-Y94 HydrophobicContact CD1-CD2 4.34Å; Y90-Y94 WeakPolarHBondContact O-CB 3.36Å; Y90-Y94 PolarHBondContact O-N 2.99Å; W91-Y94 PolarHBondContact O-N 3.33Å; Y94-G97 PolarHBondContact O-N 2.95Å; Y94-A98 VanDerWaalsContact O-CB 3.3Å; Y94-A98 WeakPolarHBondContact O-CB 3.48Å; Y94-A98 PolarHBondContact O-N 3.1Å; Y94-A143 HydrophobicContact CE1-CB 4.11Å; Y94-A143 WeakPolarHBondContact CE1-O 3.42Å; Y94-A143 WeakPolarHBondContact OH-CA 3.41Å; Y94-A143 PolarHBondContact OH-O 2.66Å; Y94-A143 VanDerWaalsContact OH-O 3.11Å; Y94-W147 HydrophobicContact CD1-CB 4.36Å; Y94-W147 AromaticContact CD1-CD2 3.94Å; Y94-W147 HydrophobicContact CD1-CD2 3.94Å; Y94-W147 AromaticContact CD1-CE3 3.28Å; Y94-W147 HydrophobicContact CD1-CE3 3.28Å; Y94-W147 HydrophobicContact CD1-CG 4.39Å; Y94-W147 AromaticContact CD1-CZ3 3.83Å; Y94-W147 HydrophobicContact CD1-CZ3 3.83Å; Y94-W147 HydrophobicContact CD2-CE3 4.11Å; Y94-W147 HydrophobicContact CD2-CZ3 4.09Å; Y94-W147 HydrophobicContact CE1-CB 3.91Å; Y94-W147 HydrophobicContact CE1-CD2 4.27Å; Y94-W147 AromaticContact CE1-CE3 3.66Å; Y94-W147 HydrophobicContact CE1-CE3 3.66Å; Y94-W147 HydrophobicContact CE1-CG 4.4Å; Y94-W147 HydrophobicContact CE2-CE3 4.43Å; Y94-W147 AromaticContact CG-CE3 3.52Å; Y94-W147 HydrophobicContact CG-CE3 3.52Å; Y94-W147 AromaticContact CG-CZ3 3.57Å; Y94-W147 HydrophobicContact CG-CZ3 3.57Å
95S88.2Confident87.2Confident17 Ų1740.1 Ų40.112%0.11919%0.194CC..Hα-helixtrans-63.2-44.3178.4-176.70000111.2W91 A98 D99W91-S95 WeakPolarHBondContact O-CB 3.49Å; W91-S95 PolarHBondContact O-N 2.89Å; S95-A98 PolarHBondContact O-N 2.97Å; S95-D99 PolarHBondContact O-N 2.9Å; S95-D99 VanDerWaalsContact O-N 3.07Å
96K86.8Confident87.1Confident88 Ų8843.6 Ų43.638%0.38320%0.198SC..Hα-helixtrans-65.9-42.2174.8-71.2171179.7170.40111.3L27 E92 E93 A98 D99 Y100L27-K96 HydrophobicContact CD1-CB 4.27Å; L27-K96 HydrophobicContact CD1-CD 4.23Å; L27-K96 HydrophobicContact CD2-CB 3.99Å; E92-K96 HydrophobicContact CG-CD 4.35Å; E92-K96 WeakPolarHBondContact O-CD 3.49Å; E92-K96 VanDerWaalsContact O-CG 3.32Å; E92-K96 WeakPolarHBondContact O-CG 3.4Å; E92-K96 PolarHBondContact O-N 3.32Å; E92-K96 IonicContact OE1-NZ 2.79Å; E92-K96 PolarHBondContact OE1-NZ 2.96Å; E93-K96 PolarHBondContact O-N 3.08Å; K96-A98 VanDerWaalsContact C-N 3.31Å; K96-A98 PolarHBondContact O-N 3.01Å; K96-D99 PolarHBondContact O-N 3.08Å; K96-Y100 HydrophobicContact CB-CE2 4.42Å; K96-Y100 WeakPolarHBondContact O-CD2 3.49Å; K96-Y100 PolarHBondContact O-N 3.32Å
97G87.1Confident86.8Confident0 Ų045.1 Ų45.10%020%0.203CC..Hα-helixtrans-58.9-42.1174.800000112.3E93 Y94 Y100 M101E93-G97 PolarHBondContact O-N 3.37Å; Y94-G97 PolarHBondContact O-N 2.95Å; G97-Y100 PolarHBondContact O-N 2.79Å; G97-M101 WeakPolarHBondContact O-CB 3.38Å; G97-M101 VanDerWaalsContact O-CG 3.3Å; G97-M101 WeakPolarHBondContact O-CG 3.41Å; G97-M101 PolarHBondContact O-N 3.26Å
98A86.6Confident86.4Confident3 Ų345.1 Ų45.13%0.02520%0.203CC..Hα-helixtrans-64-42175.900000112.3Y94 S95 K96 M101 D102 A143Y94-A98 VanDerWaalsContact O-CB 3.3Å; Y94-A98 WeakPolarHBondContact O-CB 3.48Å; Y94-A98 PolarHBondContact O-N 3.1Å; S95-A98 PolarHBondContact O-N 2.97Å; K96-A98 VanDerWaalsContact C-N 3.31Å; K96-A98 PolarHBondContact O-N 3.01Å; A98-M101 WeakPolarHBondContact O-CB 3.42Å; A98-M101 PolarHBondContact O-N 3.06Å; A98-D102 WeakPolarHBondContact O-CB 3.43Å; A98-D102 PolarHBondContact O-N 3.46Å; A98-A143 HydrophobicContact CB-CB 3.63Å
99D85.9Confident85.9Confident88 Ų8844.3 Ų44.347%0.47120%0.199SC..Hα-helixtrans-63-42.5175.1-75.4-21.9000112.1S95 K96 D102 C103S95-D99 PolarHBondContact O-N 2.9Å; S95-D99 VanDerWaalsContact O-N 3.07Å; K96-D99 PolarHBondContact O-N 3.08Å; D99-D102 PolarHBondContact O-N 3.1Å; D99-C103 PolarHBondContact O-N 3.29Å; D99-C103 PolarHBondContact O-SG 3Å
100Y85.9Confident85.4Confident127 Ų12741.3 Ų41.350%0.49819%0.193SC..Hα-helixtrans-67-38.5175.5-70.6-51.6000112V24 L27 K96 G97 C103 L104V24-Y100 VanDerWaalsContact CG1-CB 3.47Å; V24-Y100 HydrophobicContact CG1-CG 4.48Å; L27-Y100 HydrophobicContact CD2-CD2 3.98Å; L27-Y100 HydrophobicContact CD2-CE2 3.9Å; K96-Y100 HydrophobicContact CB-CE2 4.42Å; K96-Y100 WeakPolarHBondContact O-CD2 3.49Å; K96-Y100 PolarHBondContact O-N 3.32Å; G97-Y100 PolarHBondContact O-N 2.79Å; Y100-C103 WeakPolarHBondContact O-CB 3.28Å; Y100-C103 PolarHBondContact O-N 3Å; Y100-L104 PolarHBondContact O-N 3.19Å
101M84.1Confident84.5Confident0 Ų045.1 Ų45.10%021%0.212CC..Hα-helixtrans-62.4-43.9171.9-77.6-178.866.200111.4I21 V24 V25 T61 L65 G97 A98 C103 L104 Y105 I139I21-M101 HydrophobicContact CG2-CE 3.6Å; I21-M101 HydrophobicContact CG2-CG 4.4Å; I21-M101 HydrophobicContact CG2-SD 3.83Å; V24-M101 HydrophobicContact CG1-CG 4.03Å; V25-M101 HydrophobicContact CG2-CG 4.04Å; V25-M101 HydrophobicContact CG2-SD 3.12Å; V25-M101 WeakPolarHBondContact CG2-SD 3.27Å; T61-M101 HydrophobicContact CG2-CE 3.92Å; L65-M101 HydrophobicContact CD1-CE 4.1Å; L65-M101 HydrophobicContact CD2-CE 3.83Å; L65-M101 HydrophobicContact CD2-SD 3.89Å; L65-M101 HydrophobicContact CG-CE 4.08Å; G97-M101 WeakPolarHBondContact O-CB 3.38Å; G97-M101 VanDerWaalsContact O-CG 3.3Å; G97-M101 WeakPolarHBondContact O-CG 3.41Å; G97-M101 PolarHBondContact O-N 3.26Å; A98-M101 WeakPolarHBondContact O-CB 3.42Å; A98-M101 PolarHBondContact O-N 3.06Å; M101-C103 VanDerWaalsContact C-N 3.26Å; M101-C103 PolarHBondContact O-N 3.41Å; M101-L104 WeakPolarHBondContact O-CB 3.41Å; M101-L104 PolarHBondContact O-N 3.21Å; M101-L104 VanDerWaalsContact O-N 3.11Å; M101-Y105 WeakPolarHBondContact O-CB 3.26Å; M101-Y105 WeakPolarHBondContact O-CD2 3.33Å; M101-Y105 PolarHBondContact O-N 3.35Å; M101-I139 HydrophobicContact CB-CG2 4.26Å; M101-I139 HydrophobicContact CE-CG2 3.92Å
102D84.8Confident83.5Confident30 Ų3045.8 Ų45.816%0.1622%0.215CC..Hα-helixtrans-61.5-37.9177.6-164.164.1000111.6A98 D99 Y105 R106 N109 G140A98-D102 WeakPolarHBondContact O-CB 3.43Å; A98-D102 PolarHBondContact O-N 3.46Å; D99-D102 PolarHBondContact O-N 3.1Å; D102-Y105 CarbonylContact O-C 3.56Å; D102-Y105 PolarHBondContact O-N 3.16Å; D102-R106 PolarHBondContact O-N 3.36Å; D102-N109 PolarHBondContact O-ND2 2.78Å; D102-N109 PolarHBondContact OD1-ND2 3.33Å; D102-G140 PolarHBondContact OD1-N 3.09Å
103C84.1Confident82.5Confident69 Ų6942.6 Ų42.647%0.46620%0.2SC..Hα-helixtrans-63.4-45.8171.6-68.20000112F39 D99 Y100 M101 Y105 R106F39-C103 VanDerWaalsContact CE1-O 3.23Å; F39-C103 WeakPolarHBondContact CE1-O 3.44Å; D99-C103 PolarHBondContact O-N 3.29Å; D99-C103 PolarHBondContact O-SG 3Å; Y100-C103 WeakPolarHBondContact O-CB 3.28Å; Y100-C103 PolarHBondContact O-N 3Å; M101-C103 VanDerWaalsContact C-N 3.26Å; M101-C103 PolarHBondContact O-N 3.41Å; C103-Y105 VanDerWaalsContact C-N 3.31Å; C103-Y105 PolarHBondContact O-N 3.4Å; C103-R106 VanDerWaalsContact O-CB 3.24Å; C103-R106 WeakPolarHBondContact O-CB 3.46Å; C103-R106 PolarHBondContact O-N 3.45Å
104L83.6Confident81.4Confident0 Ų045.2 Ų45.20%021%0.21CC..Hα-helixtrans-61.5-41.2177.8-174.466.3000111.4L17 W35 R38 F39 I42 Y100 M101 R106L17-L104 HydrophobicContact CD1-CD2 4.24Å; W35-L104 HydrophobicContact CD2-CD1 4.38Å; W35-L104 HydrophobicContact CE3-CD1 4.41Å; W35-L104 HydrophobicContact CH2-CB 3.94Å; W35-L104 HydrophobicContact CH2-CD1 4.2Å; W35-L104 HydrophobicContact CH2-CD2 4.37Å; W35-L104 HydrophobicContact CH2-CG 4.38Å; W35-L104 HydrophobicContact CZ2-CB 4.03Å; W35-L104 HydrophobicContact CZ2-CD1 4.17Å; W35-L104 HydrophobicContact CZ3-CD1 4.28Å; W35-L104 HydrophobicContact CZ3-CD2 4.36Å; R38-L104 HydrophobicContact CB-CD1 3.8Å; F39-L104 HydrophobicContact CD1-CD1 4.47Å; F39-L104 HydrophobicContact CD2-CD1 4.42Å; F39-L104 HydrophobicContact CE1-CD1 4.43Å; F39-L104 WeakPolarHBondContact CE1-O 3.46Å; F39-L104 HydrophobicContact CE2-CD1 4.41Å; F39-L104 HydrophobicContact CG-CD1 4.46Å; F39-L104 HydrophobicContact CZ-CD1 4.39Å; I42-L104 HydrophobicContact CD1-CD1 4.28Å; I42-L104 HydrophobicContact CD1-CD2 4.29Å; I42-L104 HydrophobicContact CD1-CG 3.68Å; I42-L104 VanDerWaalsContact CD1-O 3.24Å; I42-L104 WeakPolarHBondContact CD1-O 3.21Å; Y100-L104 PolarHBondContact O-N 3.19Å; M101-L104 WeakPolarHBondContact O-CB 3.41Å; M101-L104 PolarHBondContact O-N 3.21Å; M101-L104 VanDerWaalsContact O-N 3.11Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 2.77Å
105Y85.4Confident80.2Confident0 Ų053.2 Ų53.20%025%0.245CC..THydrogen-bonded Turntrans-879.1-179-81.4-85.1000114.6L17 I21 I42 L57 T61 M101 D102 C103 Y107 L108 N109 I139L17-Y105 WeakPolarHBondContact CD2-OH 3.36Å; I21-Y105 HydrophobicContact CD1-CE2 3.96Å; I21-Y105 WeakPolarHBondContact CD1-OH 3.18Å; I21-Y105 HydrophobicContact CG1-CE2 4.17Å; I42-Y105 HydrophobicContact CD1-CD1 4.02Å; I42-Y105 HydrophobicContact CD1-CD2 4.32Å; I42-Y105 HydrophobicContact CD1-CE1 4.09Å; I42-Y105 HydrophobicContact CD1-CE2 4.39Å; I42-Y105 HydrophobicContact CD1-CG 4.16Å; I42-Y105 HydrophobicContact CG1-CE1 4.38Å; I42-Y105 HydrophobicContact CG2-CD1 4.49Å; L57-Y105 HydrophobicContact CD1-CE1 4.19Å; L57-Y105 HydrophobicContact CD2-CE1 3.97Å; L57-Y105 HydrophobicContact CG-CE1 4.01Å; T61-Y105 HydrophobicContact CG2-CE2 4.38Å; T61-Y105 PolarHBondContact OG1-OH 2.85Å; T61-Y105 VanDerWaalsContact OG1-OH 3.06Å; M101-Y105 WeakPolarHBondContact O-CB 3.26Å; M101-Y105 WeakPolarHBondContact O-CD2 3.33Å; M101-Y105 PolarHBondContact O-N 3.35Å; D102-Y105 CarbonylContact O-C 3.56Å; D102-Y105 PolarHBondContact O-N 3.16Å; C103-Y105 VanDerWaalsContact C-N 3.31Å; C103-Y105 PolarHBondContact O-N 3.4Å; Y105-Y107 PolarHBondContact O-N 2.99Å; Y105-L108 HydrophobicContact CD1-CB 3.93Å; Y105-L108 HydrophobicContact CD1-CD2 3.46Å; Y105-L108 VanDerWaalsContact CD1-CD2 3.46Å; Y105-L108 HydrophobicContact CD1-CG 4.33Å; Y105-L108 HydrophobicContact CE1-CD2 3.81Å; Y105-L108 WeakPolarHBondContact O-CA 3.42Å; Y105-L108 WeakPolarHBondContact O-CB 3.24Å; Y105-L108 PolarHBondContact O-N 3.47Å; Y105-N109 PolarHBondContact O-N 2.88Å; Y105-I139 HydrophobicContact CD1-CG1 4.11Å; Y105-I139 HydrophobicContact CD2-CG1 4.43Å; Y105-I139 HydrophobicContact CD2-CG2 4.19Å; Y105-I139 HydrophobicContact CG-CB 4.39Å; Y105-I139 HydrophobicContact CG-CG1 3.88Å; Y105-I139 HydrophobicContact CG-CG2 4.41Å
106R84.1Confident78.9Confident153 Ų15356.2 Ų56.258%0.57726%0.26SS*.Hα-helixtrans-47.9-40.4179.6-17281.6174170.1-1113.5D102 C103 L104 T110D102-R106 PolarHBondContact O-N 3.36Å; C103-R106 VanDerWaalsContact O-CB 3.24Å; C103-R106 WeakPolarHBondContact O-CB 3.46Å; C103-R106 PolarHBondContact O-N 3.45Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 2.77Å; R106-T110 WeakPolarHBondContact O-CB 3.45Å; R106-T110 WeakPolarHBondContact O-CG2 3.29Å; R106-T110 PolarHBondContact O-N 3.09Å; R106-T110 PolarHBondContact O-OG1 2.96Å
107Y80.8Confident77.6Confident67 Ų6755 Ų5526%0.26326%0.255SS..Hα-helixtrans-68.1-44.9178.5-171.1-97.8000111.9Y43 C46 V47 Y105 T110 Q111Y43-Y107 HydrophobicContact CD2-CD1 4.17Å; Y43-Y107 HydrophobicContact CD2-CD2 4.13Å; Y43-Y107 AromaticContact CD2-CE1 3.61Å; Y43-Y107 HydrophobicContact CD2-CE1 3.61Å; Y43-Y107 AromaticContact CD2-CE2 3.56Å; Y43-Y107 HydrophobicContact CD2-CE2 3.56Å; Y43-Y107 HydrophobicContact CD2-CG 4.41Å; Y43-Y107 AromaticContact CD2-CZ 3.27Å; Y43-Y107 HydrophobicContact CE2-CE1 4.17Å; Y43-Y107 AromaticContact CE2-CE2 3.83Å; Y43-Y107 HydrophobicContact CE2-CE2 3.83Å; Y43-Y107 AromaticContact CE2-CZ 3.47Å; Y43-Y107 VanDerWaalsContact CE2-CZ 3.47Å; Y43-Y107 WeakPolarHBondContact CE2-OH 3.31Å; Y43-Y107 HydrophobicContact CG-CE1 4.3Å; C46-Y107 HydrophobicContact CB-CD1 3.95Å; C46-Y107 HydrophobicContact CB-CE1 3.65Å; V47-Y107 HydrophobicContact CG2-CE1 4.28Å; Y105-Y107 PolarHBondContact O-N 2.99Å; Y107-T110 PolarHBondContact O-N 3.48Å; Y107-T110 PolarHBondContact O-OG1 3.44Å; Y107-Q111 HydrophobicContact CD1-CG 4.44Å; Y107-Q111 HydrophobicContact CD2-CG 4.09Å; Y107-Q111 HydrophobicContact CE1-CB 4.37Å; Y107-Q111 HydrophobicContact CE1-CG 4.09Å; Y107-Q111 HydrophobicContact CE2-CG 3.71Å; Y107-Q111 HydrophobicContact CG-CG 4.44Å; Y107-Q111 WeakPolarHBondContact O-CB 3.35Å; Y107-Q111 PolarHBondContact O-N 3.29Å
108L80.1Confident76Confident0 Ų059.6 Ų59.60%028%0.279CS..Hα-helixtrans-62.4-46.2174.8-175.471.4000111I42 C46 L57 Y105 T110 F112 I113 I139I42-L108 HydrophobicContact CG2-CB 4.16Å; C46-L108 WeakPolarHBondContact SG-CD1 3.35Å; L57-L108 HydrophobicContact CD2-CD1 4.32Å; L57-L108 HydrophobicContact CD2-CD2 4.17Å; L57-L108 HydrophobicContact CG-CD2 4.34Å; Y105-L108 HydrophobicContact CD1-CB 3.93Å; Y105-L108 HydrophobicContact CD1-CD2 3.46Å; Y105-L108 VanDerWaalsContact CD1-CD2 3.46Å; Y105-L108 HydrophobicContact CD1-CG 4.33Å; Y105-L108 HydrophobicContact CE1-CD2 3.81Å; Y105-L108 WeakPolarHBondContact O-CA 3.42Å; Y105-L108 WeakPolarHBondContact O-CB 3.24Å; Y105-L108 PolarHBondContact O-N 3.47Å; L108-T110 VanDerWaalsContact C-N 3.29Å; L108-T110 PolarHBondContact O-N 3.25Å; L108-F112 HydrophobicContact CD1-CB 3.62Å; L108-F112 HydrophobicContact CD1-CD1 4.01Å; L108-F112 HydrophobicContact CD1-CG 3.96Å; L108-F112 HydrophobicContact CG-CB 4.34Å; L108-F112 WeakPolarHBondContact O-CB 3.46Å; L108-F112 PolarHBondContact O-N 2.91Å; L108-I113 HydrophobicContact CG-CD1 4.45Å; L108-I113 HydrophobicContact CG-CG1 4.49Å; L108-I113 PolarHBondContact O-N 3.41Å; L108-I139 HydrophobicContact CD2-CG1 4.48Å
109N80.5Confident74.5Confident3 Ų363 Ų632%0.01630%0.299CS..Iπ-helixtrans-56.5-42.8177.2-71.7-17.4000111.7D102 Y105 I113 K114 E138 I139D102-N109 PolarHBondContact O-ND2 2.78Å; D102-N109 PolarHBondContact OD1-ND2 3.33Å; Y105-N109 PolarHBondContact O-N 2.88Å; N109-I113 VanDerWaalsContact OD1-CD1 3.29Å; N109-I113 WeakPolarHBondContact OD1-CD1 3.3Å; N109-K114 WeakPolarHBondContact O-CG 3.27Å; N109-K114 PolarHBondContact O-N 3.49Å; N109-K114 VanDerWaalsContact O-N 3.1Å; N109-E138 HydrophobicContact CB-CG 4.17Å; N109-I139 PolarHBondContact OD1-N 3.43Å; N109-I139 VanDerWaalsContact OD1-N 3.11Å
110T77.4Confident72.7Confident48 Ų4866.9 Ų66.929%0.29432%0.315SS..Iπ-helixtrans-82.6-34.1-17650.80000114.8R106 Y107 L108R106-T110 WeakPolarHBondContact O-CB 3.45Å; R106-T110 WeakPolarHBondContact O-CG2 3.29Å; R106-T110 PolarHBondContact O-N 3.09Å; R106-T110 PolarHBondContact O-OG1 2.96Å; Y107-T110 PolarHBondContact O-N 3.48Å; Y107-T110 PolarHBondContact O-OG1 3.44Å; L108-T110 VanDerWaalsContact C-N 3.29Å; L108-T110 PolarHBondContact O-N 3.25Å
111Q71.5Confident70.7Confident104 Ų10463.1 Ų63.149%0.48631%0.31SS..Iπ-helixtrans-101-35.8-172-64.7-61-2800113.9Y107 K115Y107-Q111 HydrophobicContact CD1-CG 4.44Å; Y107-Q111 HydrophobicContact CD2-CG 4.09Å; Y107-Q111 HydrophobicContact CE1-CB 4.37Å; Y107-Q111 HydrophobicContact CE1-CG 4.09Å; Y107-Q111 HydrophobicContact CE2-CG 3.71Å; Y107-Q111 HydrophobicContact CG-CG 4.44Å; Y107-Q111 WeakPolarHBondContact O-CB 3.35Å; Y107-Q111 PolarHBondContact O-N 3.29Å; Q111-K115 WeakPolarHBondContact O-CB 3.47Å
112F69Low69.3Low29 Ų2966.1 Ų66.113%0.12733%0.326CS..Iπ-helixtrans-98-54.5-178.8-177.8-99.7000110.3E55 L108 K115 N116 L136E55-F112 VanDerWaalsContact CA-CZ 3.45Å; E55-F112 HydrophobicContact CB-CE2 4.29Å; E55-F112 HydrophobicContact CB-CZ 3.65Å; E55-F112 HydrophobicContact CG-CZ 4.33Å; E55-F112 VanDerWaalsContact N-CZ 3.32Å; L108-F112 HydrophobicContact CD1-CB 3.62Å; L108-F112 HydrophobicContact CD1-CD1 4.01Å; L108-F112 HydrophobicContact CD1-CG 3.96Å; L108-F112 HydrophobicContact CG-CB 4.34Å; L108-F112 WeakPolarHBondContact O-CB 3.46Å; L108-F112 PolarHBondContact O-N 2.91Å; F112-K115 PolarHBondContact O-N 3.07Å; F112-N116 WeakPolarHBondContact CE2-ND2 3.39Å; F112-N116 WeakPolarHBondContact CZ-ND2 3.5Å; F112-N116 WeakPolarHBondContact O-CB 3.27Å; F112-N116 PolarHBondContact O-N 3.14Å; F112-L136 HydrophobicContact CE1-CD1 4.41Å
113I67.8Low67.8Low0 Ų070.9 Ų70.90%035%0.351CS..Iπ-helixtrans-71.2-42.9-172.4-56.1179.5000111.3Y58 L108 N109 K115 N116 K117 L136 E138Y58-I113 HydrophobicContact CD2-CD1 3.88Å; Y58-I113 HydrophobicContact CD2-CG1 4.48Å; Y58-I113 HydrophobicContact CE2-CD1 3.76Å; L108-I113 HydrophobicContact CG-CD1 4.45Å; L108-I113 HydrophobicContact CG-CG1 4.49Å; L108-I113 PolarHBondContact O-N 3.41Å; N109-I113 VanDerWaalsContact OD1-CD1 3.29Å; N109-I113 WeakPolarHBondContact OD1-CD1 3.3Å; I113-K115 VanDerWaalsContact C-N 3.29Å; I113-K115 PolarHBondContact O-N 3.44Å; I113-N116 PolarHBondContact O-N 3.49Å; I113-K117 HydrophobicContact CG2-CD 4.06Å; I113-K117 HydrophobicContact CG2-CG 4.04Å; I113-K117 WeakPolarHBondContact O-CA 3.47Å; I113-K117 WeakPolarHBondContact O-CB 3.19Å; I113-K117 VanDerWaalsContact O-CG 3.25Å; I113-K117 WeakPolarHBondContact O-CG 3.42Å; I113-K117 PolarHBondContact O-N 3.16Å; I113-L136 HydrophobicContact CG2-CB 4.34Å; I113-E138 HydrophobicContact CG2-CG 4.23Å
114K66.3Low65.9Low120 Ų12075.2 Ų75.252%0.52236%0.364SS..Hα-helixtrans-69.8-23.2174.9-74.9-179.3-172-178.90114.6N109 E138N109-K114 WeakPolarHBondContact O-CG 3.27Å; N109-K114 PolarHBondContact O-N 3.49Å; N109-K114 VanDerWaalsContact O-N 3.1Å; K114-E138 WeakPolarHBondContact CE-OE1 3.26Å
115K63.5Low64.3Low172 Ų17283.8 Ų83.875%0.74840%0.398SS*.Hα-helixtrans-83.3-30.9178.4-169.2177.5178.7-176.70112Q111 F112 I113Q111-K115 WeakPolarHBondContact O-CB 3.47Å; F112-K115 PolarHBondContact O-N 3.07Å; I113-K115 VanDerWaalsContact C-N 3.29Å; I113-K115 PolarHBondContact O-N 3.44Å
116N60.6Low62.5Low79 Ų7987 Ų8742%0.42243%0.431SS..Hα-helixtrans-105.8-6.1-178.8-62.50.7000113.4F112 I113 L118 L136F112-N116 WeakPolarHBondContact CE2-ND2 3.39Å; F112-N116 WeakPolarHBondContact CZ-ND2 3.5Å; F112-N116 WeakPolarHBondContact O-CB 3.27Å; F112-N116 PolarHBondContact O-N 3.14Å; I113-N116 PolarHBondContact O-N 3.49Å; N116-L118 PolarHBondContact O-N 3.24Å; N116-L136 HydrophobicContact CB-CD1 3.62Å
117K60.7Low60.6Low64 Ų6489.5 Ų89.528%0.27844%0.442SS..SBendtrans-63.5115.8167.2-99.6180174.6-179.50107.2I113 T119 L136 E141I113-K117 HydrophobicContact CG2-CD 4.06Å; I113-K117 HydrophobicContact CG2-CG 4.04Å; I113-K117 WeakPolarHBondContact O-CA 3.47Å; I113-K117 WeakPolarHBondContact O-CB 3.19Å; I113-K117 VanDerWaalsContact O-CG 3.25Å; I113-K117 WeakPolarHBondContact O-CG 3.42Å; I113-K117 PolarHBondContact O-N 3.16Å; K117-T119 PolarHBondContact O-N 3.14Å; K117-L136 WeakPolarHBondContact CE-O 3.48Å; K117-L136 WeakPolarHBondContact CG-O 3.48Å; K117-E141 IonicContact NZ-OE1 2.82Å; K117-E141 IonicContact NZ-OE2 3.5Å; K117-E141 PolarHBondContact NZ-OE2 3.44Å
118L54Low58.7Low95 Ų9588.2 Ų88.250%0.49745%0.449SS..  trans-54.9126.3167-132.184.8000108N116 D122 L123N116-L118 PolarHBondContact O-N 3.24Å; L118-D122 HydrophobicContact CD2-CB 4.05Å; L118-D122 HydrophobicContact CG-CB 3.78Å; L118-L123 HydrophobicContact CB-CD1 4.17Å; L118-L123 HydrophobicContact CD2-CD1 3.76Å; L118-L123 HydrophobicContact CD2-CG 3.93Å
119T54.9Low56.8Low75 Ų7591.7 Ų91.746%0.4649%0.485SS..  trans-72156.4178.260.60000110.5K117 A121 D122 L123K117-T119 PolarHBondContact O-N 3.14Å; T119-A121 PolarHBondContact O-N 3.44Å; T119-A121 VanDerWaalsContact O-N 3.1Å; T119-D122 WeakPolarHBondContact CB-OD2 3.39Å; T119-D122 PolarHBondContact N-OD2 3.35Å; T119-D122 PolarHBondContact O-N 2.96Å; T119-D122 PolarHBondContact OG1-N 3.31Å; T119-D122 PolarHBondContact OG1-OD2 3.4Å; T119-L123 PolarHBondContact O-N 3.18Å
120E46.8Very low55.1Low169 Ų16997.9 Ų97.979%0.7952%0.522SS*.Hα-helixtrans-54.7-28.1173.3-91-177.8146.900112Q124E120-Q124 WeakPolarHBondContact O-CB 3.23Å; E120-Q124 PolarHBondContact O-N 3.18Å
121A45.6Very low53.3Low49 Ų49102.4 Ų102.441%0.40555%0.545SS..Hα-helixtrans-70.5-39.3173.700000112.8T119 L123 Q124 Y125T119-A121 PolarHBondContact O-N 3.44Å; T119-A121 VanDerWaalsContact O-N 3.1Å; A121-L123 VanDerWaalsContact C-N 3.34Å; A121-L123 PolarHBondContact O-N 2.87Å; A121-Q124 PolarHBondContact O-N 3.39Å; A121-Y125 VanDerWaalsContact O-CD2 3.3Å; A121-Y125 WeakPolarHBondContact O-CD2 3.32Å; A121-Y125 PolarHBondContact O-N 2.9Å
122D53.3Low51.8Low63 Ų63103.5 Ų103.534%0.33755%0.551SS.*Hα-helixtrans-67.3-34.7179.6-62.2-42.4000112.4L118 T119 G126L118-D122 HydrophobicContact CD2-CB 4.05Å; L118-D122 HydrophobicContact CG-CB 3.78Å; T119-D122 WeakPolarHBondContact CB-OD2 3.39Å; T119-D122 PolarHBondContact N-OD2 3.35Å; T119-D122 PolarHBondContact O-N 2.96Å; T119-D122 PolarHBondContact OG1-N 3.31Å; T119-D122 PolarHBondContact OG1-OD2 3.4Å; D122-G126 PolarHBondContact O-N 3.43Å
123L53.3Low50.6Low129 Ų129110.6 Ų110.668%0.67559%0.591SS**Hα-helixtrans-72-28.4173.8-110.7127.8000113L118 T119 A121L118-L123 HydrophobicContact CB-CD1 4.17Å; L118-L123 HydrophobicContact CD2-CD1 3.76Å; L118-L123 HydrophobicContact CD2-CG 3.93Å; T119-L123 PolarHBondContact O-N 3.18Å; A121-L123 VanDerWaalsContact C-N 3.34Å; A121-L123 PolarHBondContact O-N 2.87Å
124Q45.1Very low50Low161 Ų161115.2 Ų115.275%0.75261%0.612SS**Hα-helixtrans-84.8-30.6-179.8-122.3171.5-800113.4E120 A121E120-Q124 WeakPolarHBondContact O-CB 3.23Å; E120-Q124 PolarHBondContact O-N 3.18Å; A121-Q124 PolarHBondContact O-N 3.39Å
125Y50.7Low49.8Very low179 Ų179114.3 Ų114.370%0.70262%0.619SS**Hα-helixtrans-104.33.7-177.1-71.6-76.2000114.5A121 Y127A121-Y125 VanDerWaalsContact O-CD2 3.3Å; A121-Y125 WeakPolarHBondContact O-CD2 3.32Å; A121-Y125 PolarHBondContact O-N 2.9Å; Y125-Y127 WeakPolarHBondContact O-CD2 3.3Å; Y125-Y127 PolarHBondContact O-N 2.7Å
126G46.8Very low50Low68 Ų68107.6 Ų107.670%0.70159%0.591SS**THydrogen-bonded Turntrans69.224.6168.100000115.6D122D122-G126 PolarHBondContact O-N 3.43Å
127Y43Very low50.8Low206 Ų206105.2 Ų105.281%0.80858%0.578SS**  trans-95.613.2177.8-86-81.7000113.9Y125 G129Y125-Y127 WeakPolarHBondContact O-CD2 3.3Å; Y125-Y127 PolarHBondContact O-N 2.7Å; Y127-G129 PolarHBondContact O-N 2.88Å
128G42.7Very low51.8Low40 Ų40103.9 Ų103.941%0.41257%0.572SS.*  trans-80.4111.1172.300000111.2
129G38.6Very low53.2Low72 Ų7299.4 Ų99.474%0.74255%0.549SS*.  trans-56.5148.7168.400000112.1Y127Y127-G129 PolarHBondContact O-N 2.88Å
130V45.6Very low54.5Low134 Ų13496.3 Ų96.381%0.81253%0.532SS*.SBendtrans-53140.6175.4-172.80000110.2
131D39.2Very low56.3Low143 Ų14390.1 Ų90.177%0.76550%0.503SS*.  trans111.529.6167.7-62.9-29.4000121.1
132M41.5Very low58.2Low126 Ų12687.9 Ų87.962%0.62148%0.484SS*.  trans-137.996.3155.5-74.5-64.7178.300111.4E55 E134E55-M132 WeakPolarHBondContact OE1-CE 3.29Å; M132-E134 PolarHBondContact O-N 2.91Å
133N42.9Very low59.7Low178 Ų17885 Ų8595%0.95247%0.469SS*.SBendtrans-71.3-5.3-179.1-88.8-20000114.7
134E54.2Low61.3Low97 Ų9779.6 Ų79.645%0.45344%0.441SS..SBendtrans-134.4132.5173.9-72.6-172.4155.800110.9K62 M132 L136K62-E134 IonicContact NZ-OE2 3.66Å; K62-E134 PolarHBondContact NZ-OE2 3.4Å; M132-E134 PolarHBondContact O-N 2.91Å; E134-L136 PolarHBondContact O-N 2.94Å
135P62.1Low63.3Low102 Ų10272.5 Ų72.566%0.66241%0.408SS*.PPolyproline II helixtrans-64.5131.2175.927.4-33.2000110M137P135-M137 PolarHBondContact O-N 2.92Å
136L69.3Low65Low31 Ų3164.6 Ų64.616%0.16238%0.377CS..PPolyproline II helixtrans-61.7118.6173.4-71.3169.5000109.7Y58 F112 I113 N116 K117 E134Y58-L136 HydrophobicContact CD1-CD2 3.79Å; Y58-L136 HydrophobicContact CE1-CD2 3.61Å; Y58-L136 HydrophobicContact CG-CD2 4.45Å; F112-L136 HydrophobicContact CE1-CD1 4.41Å; I113-L136 HydrophobicContact CG2-CB 4.34Å; N116-L136 HydrophobicContact CB-CD1 3.62Å; K117-L136 WeakPolarHBondContact CE-O 3.48Å; K117-L136 WeakPolarHBondContact CG-O 3.48Å; E134-L136 PolarHBondContact O-N 2.94Å
137M76.1Confident67.1Low29 Ų2961.3 Ų61.314%0.14334%0.344CS..PPolyproline II helixtrans-101.6149.8178-67.9180-72.800110.2Y58 P135 E141 L142 D145Y58-M137 WeakPolarHBondContact CE2-O 3.37Å; Y58-M137 PolarHBondContact OH-N 3.39Å; Y58-M137 VanDerWaalsContact OH-N 3.08Å; Y58-M137 PolarHBondContact OH-O 3.29Å; P135-M137 PolarHBondContact O-N 2.92Å; M137-E141 HydrophobicContact CB-CB 3.97Å; M137-L142 HydrophobicContact CB-CB 4.45Å; M137-L142 HydrophobicContact CE-CD1 3.94Å; M137-D145 HydrophobicContact CE-CB 4.05Å; M137-D145 HydrophobicContact SD-CB 4.22Å
138E83.1Confident69.2Low35 Ų3552.6 Ų52.616%0.16431%0.31CS..PPolyproline II helixtrans-60.5155.5170.9-66-178.5179.600110.1N109 I113 K114 G140 E141 L142N109-E138 HydrophobicContact CB-CG 4.17Å; I113-E138 HydrophobicContact CG2-CG 4.23Å; K114-E138 WeakPolarHBondContact CE-OE1 3.26Å; E138-G140 VanDerWaalsContact C-N 3.31Å; E138-G140 PolarHBondContact O-N 2.96Å; E138-E141 HydrophobicContact CB-CB 4.46Å; E138-E141 HydrophobicContact CB-CG 3.95Å; E138-E141 PolarHBondContact N-OE2 3.42Å; E138-E141 CarbonylContact O-C 3.53Å; E138-E141 WeakPolarHBondContact O-CA 3.48Å; E138-E141 WeakPolarHBondContact O-CB 3.28Å; E138-E141 PolarHBondContact O-N 3.34Å; E138-L142 WeakPolarHBondContact O-CB 2.93Å; E138-L142 PolarHBondContact O-N 2.99Å
139I83.3Confident71.3Confident1 Ų154.7 Ų54.71%0.00531%0.308CS..Hα-helixtrans-61.3-37.6-172.6-66.7-62.9000112.5Y58 T61 M101 Y105 L108 N109 L142 A143Y58-I139 HydrophobicContact CD2-CD1 3.63Å; Y58-I139 HydrophobicContact CE2-CD1 3.69Å; T61-I139 HydrophobicContact CG2-CD1 3.92Å; T61-I139 HydrophobicContact CG2-CG2 4.41Å; M101-I139 HydrophobicContact CB-CG2 4.26Å; M101-I139 HydrophobicContact CE-CG2 3.92Å; Y105-I139 HydrophobicContact CD1-CG1 4.11Å; Y105-I139 HydrophobicContact CD2-CG1 4.43Å; Y105-I139 HydrophobicContact CD2-CG2 4.19Å; Y105-I139 HydrophobicContact CG-CB 4.39Å; Y105-I139 HydrophobicContact CG-CG1 3.88Å; Y105-I139 HydrophobicContact CG-CG2 4.41Å; L108-I139 HydrophobicContact CD2-CG1 4.48Å; N109-I139 PolarHBondContact OD1-N 3.43Å; N109-I139 VanDerWaalsContact OD1-N 3.11Å; I139-L142 HydrophobicContact CD1-CD2 4.31Å; I139-L142 PolarHBondContact O-N 3.39Å; I139-A143 WeakPolarHBondContact O-CB 3.12Å; I139-A143 PolarHBondContact O-N 3.22Å
140G82.4Confident73.7Confident10 Ų1052.5 Ų52.510%0.10328%0.279CS..Hα-helixtrans-63.4-42.7171.400000112.9D102 E138 L142 A143 L144D102-G140 PolarHBondContact OD1-N 3.09Å; E138-G140 VanDerWaalsContact C-N 3.31Å; E138-G140 PolarHBondContact O-N 2.96Å; G140-L142 VanDerWaalsContact C-N 3.35Å; G140-L142 PolarHBondContact O-N 2.85Å; G140-A143 PolarHBondContact O-N 3.45Å; G140-L144 WeakPolarHBondContact O-CG 3.26Å; G140-L144 PolarHBondContact O-N 2.86Å; G140-L144 VanDerWaalsContact O-N 3.11Å
141E84Confident75.6Confident40 Ų4046.1 Ų46.119%0.18724%0.24CC..Hα-helixtrans-62.7-41.8176.4-57.5176.3154.400111.4K117 M137 E138 L144 D145 Y194K117-E141 IonicContact NZ-OE1 2.82Å; K117-E141 IonicContact NZ-OE2 3.5Å; K117-E141 PolarHBondContact NZ-OE2 3.44Å; M137-E141 HydrophobicContact CB-CB 3.97Å; E138-E141 HydrophobicContact CB-CB 4.46Å; E138-E141 HydrophobicContact CB-CG 3.95Å; E138-E141 PolarHBondContact N-OE2 3.42Å; E138-E141 CarbonylContact O-C 3.53Å; E138-E141 WeakPolarHBondContact O-CA 3.48Å; E138-E141 WeakPolarHBondContact O-CB 3.28Å; E138-E141 PolarHBondContact O-N 3.34Å; E141-L144 PolarHBondContact O-N 2.62Å; E141-D145 PolarHBondContact O-N 2.91Å; E141-Y194 HydrophobicContact CB-CD1 4.41Å; E141-Y194 HydrophobicContact CB-CD2 4.47Å; E141-Y194 HydrophobicContact CB-CG 4.17Å; E141-Y194 HydrophobicContact CG-CG 4.12Å
142L84.6Confident77.9Confident2 Ų239.3 Ų39.31%0.0120%0.204CC..Hα-helixtrans-63.7-44.1177178.767.1000111.4Y58 K62 L65 M137 E138 I139 G140 L144 D145 M146Y58-L142 HydrophobicContact CE1-CD2 4.46Å; Y58-L142 HydrophobicContact CE2-CD2 4.12Å; K62-L142 HydrophobicContact CB-CD2 3.88Å; K62-L142 HydrophobicContact CD-CD1 4.35Å; K62-L142 HydrophobicContact CG-CD1 4.21Å; K62-L142 HydrophobicContact CG-CD2 4.17Å; L65-L142 HydrophobicContact CD1-CD2 4.25Å; L65-L142 HydrophobicContact CD1-CG 4.43Å; M137-L142 HydrophobicContact CB-CB 4.45Å; M137-L142 HydrophobicContact CE-CD1 3.94Å; E138-L142 WeakPolarHBondContact O-CB 2.93Å; E138-L142 PolarHBondContact O-N 2.99Å; I139-L142 HydrophobicContact CD1-CD2 4.31Å; I139-L142 PolarHBondContact O-N 3.39Å; G140-L142 VanDerWaalsContact C-N 3.35Å; G140-L142 PolarHBondContact O-N 2.85Å; L142-L144 VanDerWaalsContact C-N 3.32Å; L142-L144 PolarHBondContact O-N 3.24Å; L142-D145 PolarHBondContact O-N 3.08Å; L142-M146 HydrophobicContact CD1-CE 4.11Å; L142-M146 HydrophobicContact CD1-CG 4.4Å; L142-M146 VanDerWaalsContact O-CG 3.29Å; L142-M146 WeakPolarHBondContact O-CG 3.32Å; L142-M146 PolarHBondContact O-N 3.14Å
143A86Confident80.1Confident1 Ų137.2 Ų37.21%0.00819%0.193CC..Hα-helixtrans-59.5-43.9176.200000111.5L65 Y94 A98 I139 G140 M146 W147L65-A143 HydrophobicContact CD1-CB 4.18Å; L65-A143 HydrophobicContact CD2-CB 4.39Å; Y94-A143 HydrophobicContact CE1-CB 4.11Å; Y94-A143 WeakPolarHBondContact CE1-O 3.42Å; Y94-A143 WeakPolarHBondContact OH-CA 3.41Å; Y94-A143 PolarHBondContact OH-O 2.66Å; Y94-A143 VanDerWaalsContact OH-O 3.11Å; A98-A143 HydrophobicContact CB-CB 3.63Å; I139-A143 WeakPolarHBondContact O-CB 3.12Å; I139-A143 PolarHBondContact O-N 3.22Å; G140-A143 PolarHBondContact O-N 3.45Å; A143-M146 PolarHBondContact O-N 3.14Å; A143-W147 PolarHBondContact O-N 3.3Å
144L86.9Confident82.2Confident17 Ų1731.6 Ų31.69%0.08917%0.166CC..Hα-helixtrans-63.5-42.7175.6-64.8172.9000112.3W91 G140 E141 L142 W147 K148 Y194W91-L144 HydrophobicContact CH2-CD2 3.65Å; W91-L144 HydrophobicContact CZ3-CD2 4.25Å; G140-L144 WeakPolarHBondContact O-CG 3.26Å; G140-L144 PolarHBondContact O-N 2.86Å; G140-L144 VanDerWaalsContact O-N 3.11Å; E141-L144 PolarHBondContact O-N 2.62Å; L142-L144 VanDerWaalsContact C-N 3.32Å; L142-L144 PolarHBondContact O-N 3.24Å; L144-W147 PolarHBondContact O-N 2.84Å; L144-K148 PolarHBondContact O-N 3.12Å; L144-Y194 HydrophobicContact CB-CD1 4.18Å; L144-Y194 HydrophobicContact CB-CE1 4.11Å; L144-Y194 HydrophobicContact CD1-CD1 4.05Å
145D85.9Confident83.8Confident12 Ų1227.3 Ų27.36%0.06415%0.146CC..Hα-helixtrans-65.2-38.2176.8-171.465000112.6M137 E141 L142 K148 K149M137-D145 HydrophobicContact CE-CB 4.05Å; M137-D145 HydrophobicContact SD-CB 4.22Å; E141-D145 PolarHBondContact O-N 2.91Å; L142-D145 PolarHBondContact O-N 3.08Å; D145-K148 WeakPolarHBondContact O-CB 3.43Å; D145-K148 PolarHBondContact O-N 3.12Å; D145-K149 PolarHBondContact O-N 3.24Å; D145-K149 VanDerWaalsContact O-N 3.13Å; D145-K149 IonicContact OD1-NZ 2.94Å; D145-K149 VanDerWaalsContact OD2-CE 3.27Å; D145-K149 WeakPolarHBondContact OD2-CE 3.4Å; D145-K149 IonicContact OD2-NZ 2.99Å; D145-K149 PolarHBondContact OD2-NZ 3.01Å
146M87.5Confident84.9Confident12 Ų1225.8 Ų25.86%0.05913%0.13CC..Hα-helixtrans-65.5-42.7174.5-68.5-55.196.500111.3E66 V69 L142 A143 K148 K149 L150E66-M146 HydrophobicContact CB-SD 4.45Å; V69-M146 HydrophobicContact CG2-CB 4.47Å; L142-M146 HydrophobicContact CD1-CE 4.11Å; L142-M146 HydrophobicContact CD1-CG 4.4Å; L142-M146 VanDerWaalsContact O-CG 3.29Å; L142-M146 WeakPolarHBondContact O-CG 3.32Å; L142-M146 PolarHBondContact O-N 3.14Å; A143-M146 PolarHBondContact O-N 3.14Å; M146-K148 VanDerWaalsContact C-N 3.32Å; M146-K148 PolarHBondContact O-N 3.43Å; M146-K149 HydrophobicContact CE-CD 4.43Å; M146-K149 PolarHBondContact O-N 2.92Å; M146-L150 HydrophobicContact CB-CD1 4.49Å; M146-L150 VanDerWaalsContact O-CB 3.29Å; M146-L150 WeakPolarHBondContact O-CB 3.45Å; M146-L150 WeakPolarHBondContact O-CG 3.32Å; M146-L150 PolarHBondContact O-N 3.49Å
147W89.5Confident85.8Confident0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-61.3-41.6174.6-168.2-88.9000112V69 L72 Y87 W91 Y94 A143 L144 M151 I152V69-W147 HydrophobicContact CG1-CE3 4.3Å; V69-W147 HydrophobicContact CG2-CE3 4.3Å; L72-W147 HydrophobicContact CD1-CH2 4.29Å; L72-W147 HydrophobicContact CD1-CZ3 3.71Å; Y87-W147 HydrophobicContact CD2-CZ2 4.21Å; Y87-W147 AromaticContact CE2-CE2 3.97Å; Y87-W147 AromaticContact CE2-CZ2 3.76Å; Y87-W147 HydrophobicContact CE2-CZ2 3.76Å; Y87-W147 AromaticContact CE2-NE1 3.65Å; Y87-W147 AromaticContact CZ-NE1 3.56Å; Y87-W147 PolarHBondContact OH-NE1 3.39Å; W91-W147 HydrophobicContact CB-CH2 4.49Å; W91-W147 HydrophobicContact CB-CZ2 3.86Å; W91-W147 AromaticContact CE3-CD1 3.45Å; W91-W147 VanDerWaalsContact CE3-CD1 3.45Å; W91-W147 AromaticContact CE3-CD2 3.76Å; W91-W147 HydrophobicContact CE3-CD2 3.76Å; W91-W147 AromaticContact CE3-CE2 3.44Å; W91-W147 VanDerWaalsContact CE3-CE2 3.44Å; W91-W147 AromaticContact CE3-CG 3.79Å; W91-W147 HydrophobicContact CE3-CG 3.79Å; W91-W147 HydrophobicContact CE3-CZ2 4.03Å; W91-W147 AromaticContact CE3-NE1 3.23Å; W91-W147 HydrophobicContact CZ3-CB 4.2Å; W91-W147 AromaticContact CZ3-CD1 3.35Å; W91-W147 HydrophobicContact CZ3-CD2 4.05Å; W91-W147 AromaticContact CZ3-CG 3.6Å; W91-W147 HydrophobicContact CZ3-CG 3.6Å; W91-W147 AromaticContact CZ3-NE1 3.68Å; Y94-W147 HydrophobicContact CD1-CB 4.36Å; Y94-W147 AromaticContact CD1-CD2 3.94Å; Y94-W147 HydrophobicContact CD1-CD2 3.94Å; Y94-W147 AromaticContact CD1-CE3 3.28Å; Y94-W147 HydrophobicContact CD1-CE3 3.28Å; Y94-W147 HydrophobicContact CD1-CG 4.39Å; Y94-W147 AromaticContact CD1-CZ3 3.83Å; Y94-W147 HydrophobicContact CD1-CZ3 3.83Å; Y94-W147 HydrophobicContact CD2-CE3 4.11Å; Y94-W147 HydrophobicContact CD2-CZ3 4.09Å; Y94-W147 HydrophobicContact CE1-CB 3.91Å; Y94-W147 HydrophobicContact CE1-CD2 4.27Å; Y94-W147 AromaticContact CE1-CE3 3.66Å; Y94-W147 HydrophobicContact CE1-CE3 3.66Å; Y94-W147 HydrophobicContact CE1-CG 4.4Å; Y94-W147 HydrophobicContact CE2-CE3 4.43Å; Y94-W147 AromaticContact CG-CE3 3.52Å; Y94-W147 HydrophobicContact CG-CE3 3.52Å; Y94-W147 AromaticContact CG-CZ3 3.57Å; Y94-W147 HydrophobicContact CG-CZ3 3.57Å; A143-W147 PolarHBondContact O-N 3.3Å; L144-W147 PolarHBondContact O-N 2.84Å; W147-M151 HydrophobicContact CD2-CB 4.05Å; W147-M151 HydrophobicContact CD2-CG 3.75Å; W147-M151 HydrophobicContact CE3-CG 3.85Å; W147-M151 HydrophobicContact CG-CB 4.29Å; W147-M151 HydrophobicContact CG-CG 4.34Å; W147-M151 HydrophobicContact CH2-CE 3.84Å; W147-M151 HydrophobicContact CH2-CG 4.18Å; W147-M151 HydrophobicContact CZ2-CB 4.27Å; W147-M151 HydrophobicContact CZ2-CE 3.9Å; W147-M151 HydrophobicContact CZ2-CG 4.06Å; W147-M151 HydrophobicContact CZ3-CE 4.45Å; W147-M151 HydrophobicContact CZ3-CG 4.07Å; W147-M151 WeakPolarHBondContact O-CA 3.4Å; W147-M151 VanDerWaalsContact O-CB 3.26Å; W147-M151 WeakPolarHBondContact O-CB 2.98Å; W147-M151 PolarHBondContact O-N 3.23Å; W147-I152 PolarHBondContact O-N 3.47Å
148K88.3Confident86.3Confident23 Ų2329 Ų2910%0.116%0.16CC..Iπ-helixtrans-53.8-58.6175.5-167.1-176.2166.2179.10112.3L144 D145 M146 I152 E153 V191 E192 F202L144-K148 PolarHBondContact O-N 3.12Å; D145-K148 WeakPolarHBondContact O-CB 3.43Å; D145-K148 PolarHBondContact O-N 3.12Å; M146-K148 VanDerWaalsContact C-N 3.32Å; M146-K148 PolarHBondContact O-N 3.43Å; K148-I152 PolarHBondContact O-N 3.16Å; K148-E153 PolarHBondContact O-N 3.3Å; K148-V191 HydrophobicContact CB-CG1 3.38Å; K148-V191 HydrophobicContact CD-CG1 4.01Å; K148-V191 HydrophobicContact CG-CG1 3.64Å; K148-E192 IonicContact NZ-OE1 3.97Å; K148-E192 PolarHBondContact NZ-OE1 3.27Å; K148-F202 HydrophobicContact CD-CD2 4.48Å; K148-F202 HydrophobicContact CD-CE2 4.12Å; K148-F202 HydrophobicContact CD-CZ 4.44Å; K148-F202 VanDerWaalsContact CE-CD2 3.45Å; K148-F202 HydrophobicContact CG-CE1 4.48Å; K148-F202 HydrophobicContact CG-CE2 3.88Å; K148-F202 HydrophobicContact CG-CZ 3.77Å
149K87.3Confident86.5Confident83 Ų8327.4 Ų27.436%0.36115%0.153SC..Iπ-helixtrans-71.9-38.4-171.6-70.7171.9177.1163.10112.9D145 M146 P154D145-K149 PolarHBondContact O-N 3.24Å; D145-K149 VanDerWaalsContact O-N 3.13Å; D145-K149 IonicContact OD1-NZ 2.94Å; D145-K149 VanDerWaalsContact OD2-CE 3.27Å; D145-K149 WeakPolarHBondContact OD2-CE 3.4Å; D145-K149 IonicContact OD2-NZ 2.99Å; D145-K149 PolarHBondContact OD2-NZ 3.01Å; M146-K149 HydrophobicContact CE-CD 4.43Å; M146-K149 PolarHBondContact O-N 2.92Å; K149-P154 WeakPolarHBondContact O-CD 3.29Å
150L87.9Confident86.8Confident26 Ų2628.1 Ų28.114%0.13616%0.157CC..Iπ-helixtrans-97.7-23.8-170.5-61170.9000113.6E66 V69 R70 Y73 M146 P154E66-L150 HydrophobicContact CB-CD1 4.38Å; E66-L150 HydrophobicContact CG-CD1 3.91Å; V69-L150 HydrophobicContact CB-CD1 4.17Å; V69-L150 HydrophobicContact CG1-CB 3.63Å; V69-L150 HydrophobicContact CG1-CD1 4.16Å; R70-L150 HydrophobicContact CG-CD1 4.27Å; R70-L150 HydrophobicContact CG-CD2 4.42Å; Y73-L150 WeakPolarHBondContact CD2-O 3.35Å; M146-L150 HydrophobicContact CB-CD1 4.49Å; M146-L150 VanDerWaalsContact O-CB 3.29Å; M146-L150 WeakPolarHBondContact O-CB 3.45Å; M146-L150 WeakPolarHBondContact O-CG 3.32Å; M146-L150 PolarHBondContact O-N 3.49Å; L150-P154 VanDerWaalsContact O-CG 3.23Å; L150-P154 WeakPolarHBondContact O-CG 3.49Å
151M86.1Confident87.2Confident0 Ų035.8 Ų35.80%018%0.182CC..Iπ-helixtrans-108.6-56.3178-62.8-70.2-69.500111.9V69 L72 Y73 V76 Y87 W147 P154 L155V69-M151 HydrophobicContact CG1-CG 3.43Å; V69-M151 VanDerWaalsContact CG1-CG 3.43Å; V69-M151 HydrophobicContact CG1-SD 4.09Å; L72-M151 HydrophobicContact CB-CE 4.5Å; L72-M151 HydrophobicContact CB-SD 4.43Å; Y73-M151 WeakPolarHBondContact CA-SD 3.39Å; Y73-M151 VanDerWaalsContact CB-SD 3.53Å; Y73-M151 HydrophobicContact CD2-SD 4.05Å; Y73-M151 HydrophobicContact CG-SD 4.3Å; Y73-M151 PolarHBondContact N-SD 2.96Å; V76-M151 HydrophobicContact CB-CE 4.43Å; V76-M151 HydrophobicContact CG2-CE 3.89Å; Y87-M151 HydrophobicContact CD2-CE 4.17Å; Y87-M151 HydrophobicContact CE2-CB 4.26Å; Y87-M151 HydrophobicContact CE2-CE 4.46Å; W147-M151 HydrophobicContact CD2-CB 4.05Å; W147-M151 HydrophobicContact CD2-CG 3.75Å; W147-M151 HydrophobicContact CE3-CG 3.85Å; W147-M151 HydrophobicContact CG-CB 4.29Å; W147-M151 HydrophobicContact CG-CG 4.34Å; W147-M151 HydrophobicContact CH2-CE 3.84Å; W147-M151 HydrophobicContact CH2-CG 4.18Å; W147-M151 HydrophobicContact CZ2-CB 4.27Å; W147-M151 HydrophobicContact CZ2-CE 3.9Å; W147-M151 HydrophobicContact CZ2-CG 4.06Å; W147-M151 HydrophobicContact CZ3-CE 4.45Å; W147-M151 HydrophobicContact CZ3-CG 4.07Å; W147-M151 WeakPolarHBondContact O-CA 3.4Å; W147-M151 VanDerWaalsContact O-CB 3.26Å; W147-M151 WeakPolarHBondContact O-CB 2.98Å; W147-M151 PolarHBondContact O-N 3.23Å; M151-P154 WeakPolarHBondContact O-CD 3.49Å; M151-P154 WeakPolarHBondContact O-CG 3.41Å; M151-L155 HydrophobicContact CE-CD1 4.35Å; M151-L155 VanDerWaalsContact O-CB 3.25Å; M151-L155 WeakPolarHBondContact O-CB 3.4Å; M151-L155 VanDerWaalsContact O-CG 3.27Å; M151-L155 WeakPolarHBondContact O-CG 3.28Å; M151-L155 PolarHBondContact O-N 3.4Å
152I86.6Confident87.3Confident0 Ų036.1 Ų36.10%019%0.185CC..Iπ-helixtrans-74.2-53-169.3-61.3167.9000111.5Y87 W147 K148 L155 Q156 F188 V191 F202Y87-I152 HydrophobicContact CE2-CG1 4.42Å; Y87-I152 WeakPolarHBondContact OH-CG1 3.45Å; W147-I152 PolarHBondContact O-N 3.47Å; K148-I152 PolarHBondContact O-N 3.16Å; I152-L155 CarbonylContact O-C 3.55Å; I152-L155 PolarHBondContact O-N 3.27Å; I152-L155 VanDerWaalsContact O-N 3.12Å; I152-Q156 WeakPolarHBondContact O-CA 3.34Å; I152-Q156 VanDerWaalsContact O-CB 3.26Å; I152-Q156 WeakPolarHBondContact O-CB 3.5Å; I152-Q156 PolarHBondContact O-N 3.43Å; I152-F188 HydrophobicContact CD1-CD1 4.04Å; I152-F188 HydrophobicContact CD1-CE1 4.43Å; I152-F188 HydrophobicContact CG1-CD1 4.37Å; I152-F188 HydrophobicContact CG1-CE1 4.27Å; I152-F188 HydrophobicContact CG2-CD1 3.89Å; I152-F188 HydrophobicContact CG2-CE1 3.69Å; I152-V191 HydrophobicContact CD1-CB 4.24Å; I152-V191 HydrophobicContact CD1-CG1 4.27Å; I152-V191 HydrophobicContact CD1-CG2 3.7Å; I152-F202 HydrophobicContact CB-CE1 4.4Å; I152-F202 HydrophobicContact CB-CZ 4.11Å; I152-F202 HydrophobicContact CD1-CE1 4.09Å; I152-F202 HydrophobicContact CD1-CZ 4.5Å; I152-F202 HydrophobicContact CG2-CE1 3.7Å; I152-F202 HydrophobicContact CG2-CZ 3.52Å
153E87.6Confident87.5Confident83 Ų8336 Ų3639%0.38818%0.184SC..Hα-helixtrans-53.9-41.7-178.6-72.9175.8-176.700114.3K148 Q156K148-E153 PolarHBondContact O-N 3.3Å; E153-Q156 VanDerWaalsContact O-CG 3.29Å; E153-Q156 WeakPolarHBondContact O-CG 3.24Å; E153-Q156 PolarHBondContact O-NE2 3.43Å
154P88.3Confident87.7Confident59 Ų5937.5 Ų37.538%0.38319%0.191SC..Hα-helixtrans-77.7-31175.226.6-33000114Y73 K149 L150 M151Y73-P154 HydrophobicContact CD2-CG 4.21Å; Y73-P154 HydrophobicContact CE2-CB 3.84Å; Y73-P154 HydrophobicContact CE2-CG 3.59Å; K149-P154 WeakPolarHBondContact O-CD 3.29Å; L150-P154 VanDerWaalsContact O-CG 3.23Å; L150-P154 WeakPolarHBondContact O-CG 3.49Å; M151-P154 WeakPolarHBondContact O-CD 3.49Å; M151-P154 WeakPolarHBondContact O-CG 3.41Å
155L86.8Confident87.8Confident7 Ų740.7 Ų40.74%0.03721%0.209CC..Hα-helixtrans-92-9.7-178-62.7176.5000114.1Y73 V76 L77 Y87 M151 I152 A157 V158 L159Y73-L155 HydrophobicContact CD2-CD1 4.25Å; Y73-L155 HydrophobicContact CD2-CD2 4.49Å; Y73-L155 HydrophobicContact CD2-CG 4.23Å; Y73-L155 HydrophobicContact CE2-CD1 4.29Å; Y73-L155 HydrophobicContact CE2-CD2 3.79Å; Y73-L155 HydrophobicContact CE2-CG 3.79Å; V76-L155 HydrophobicContact CB-CD1 4.5Å; V76-L155 HydrophobicContact CG1-CD1 3.68Å; L77-L155 HydrophobicContact CD2-CD2 4.03Å; Y87-L155 HydrophobicContact CD2-CD1 4.29Å; M151-L155 HydrophobicContact CE-CD1 4.35Å; M151-L155 VanDerWaalsContact O-CB 3.25Å; M151-L155 WeakPolarHBondContact O-CB 3.4Å; M151-L155 VanDerWaalsContact O-CG 3.27Å; M151-L155 WeakPolarHBondContact O-CG 3.28Å; M151-L155 PolarHBondContact O-N 3.4Å; I152-L155 CarbonylContact O-C 3.55Å; I152-L155 PolarHBondContact O-N 3.27Å; I152-L155 VanDerWaalsContact O-N 3.12Å; L155-A157 VanDerWaalsContact C-N 3.3Å; L155-A157 PolarHBondContact O-N 3.45Å; L155-V158 PolarHBondContact O-N 2.88Å; L155-L159 HydrophobicContact CB-CD1 3.7Å; L155-L159 HydrophobicContact CB-CG 3.97Å; L155-L159 WeakPolarHBondContact O-CG 3.5Å; L155-L159 PolarHBondContact O-N 3.05Å
156Q86.5Confident87.8Confident71 Ų7143.2 Ų43.233%0.33222%0.22SC..Hα-helixtrans-53.5-44.1-170.963.6-171.1-2700112.6I152 E153 V158 L159 I160 I206I152-Q156 WeakPolarHBondContact O-CA 3.34Å; I152-Q156 VanDerWaalsContact O-CB 3.26Å; I152-Q156 WeakPolarHBondContact O-CB 3.5Å; I152-Q156 PolarHBondContact O-N 3.43Å; E153-Q156 VanDerWaalsContact O-CG 3.29Å; E153-Q156 WeakPolarHBondContact O-CG 3.24Å; E153-Q156 PolarHBondContact O-NE2 3.43Å; Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 PolarHBondContact O-N 2.88Å; Q156-L159 PolarHBondContact O-N 3.16Å; Q156-I160 VanDerWaalsContact O-CB 3.24Å; Q156-I160 WeakPolarHBondContact O-CB 3.38Å; Q156-I160 WeakPolarHBondContact O-CG1 3.49Å; Q156-I160 PolarHBondContact O-N 3.23Å; Q156-I206 HydrophobicContact CB-CG2 4.2Å
157A87.1Confident87.9Confident76 Ų7642.7 Ų42.763%0.62822%0.217SC*.Hα-helixtrans-62.2-39.8-177.800000112.2L155 R161L155-A157 VanDerWaalsContact C-N 3.3Å; L155-A157 PolarHBondContact O-N 3.45Å; A157-R161 VanDerWaalsContact O-CB 3.3Å; A157-R161 WeakPolarHBondContact O-CB 3.43Å; A157-R161 PolarHBondContact O-N 3.04Å
158V87.4Confident87.9Confident52 Ų5247.7 Ų47.732%0.31524%0.239SC..Hα-helixtrans-76.1-46.9179.4-179.20000110.6V83 L155 Q156 I160 R161 M162V83-V158 HydrophobicContact CG1-CG1 4.34Å; L155-V158 PolarHBondContact O-N 2.88Å; Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 PolarHBondContact O-N 2.88Å; V158-I160 PolarHBondContact O-N 3.26Å; V158-R161 PolarHBondContact O-N 3.42Å; V158-M162 HydrophobicContact CG1-SD 3.98Å; V158-M162 WeakPolarHBondContact O-CG 3.26Å; V158-M162 PolarHBondContact O-N 3.19Å
159L87.2Confident87.8Confident0 Ų048.4 Ų48.40%024%0.244CC..Hα-helixtrans-60.1-47.8179.8-72.2174.2000111.4L84 Y87 L155 Q156 M162 L163 F188L84-L159 HydrophobicContact CD1-CD2 3.97Å; L84-L159 HydrophobicContact CG-CD2 4.35Å; Y87-L159 HydrophobicContact CD1-CD1 4.45Å; Y87-L159 HydrophobicContact CD1-CD2 4.44Å; Y87-L159 HydrophobicContact CD2-CD1 4.06Å; Y87-L159 HydrophobicContact CE1-CD1 4.46Å; Y87-L159 HydrophobicContact CE2-CD1 4.03Å; Y87-L159 HydrophobicContact CG-CD1 4.28Å; Y87-L159 HydrophobicContact CG-CD2 4.2Å; L155-L159 HydrophobicContact CB-CD1 3.7Å; L155-L159 HydrophobicContact CB-CG 3.97Å; L155-L159 WeakPolarHBondContact O-CG 3.5Å; L155-L159 PolarHBondContact O-N 3.05Å; Q156-L159 PolarHBondContact O-N 3.16Å; L159-M162 PolarHBondContact O-N 2.87Å; L159-L163 WeakPolarHBondContact O-CB 3.02Å; L159-L163 WeakPolarHBondContact O-CG 3.44Å; L159-L163 PolarHBondContact O-N 2.9Å; L159-F188 HydrophobicContact CB-CZ 4.39Å; L159-F188 HydrophobicContact CD1-CE1 4.45Å; L159-F188 HydrophobicContact CD1-CZ 4.38Å
160I89.8Confident87.8Confident17 Ų1745 Ų459%0.08723%0.23CC..Hα-helixtrans-64.4-45.5179.8-62.3-62.7000110.7Q156 V158 M162 L163 L164 F188 I206 F207 P210Q156-I160 VanDerWaalsContact O-CB 3.24Å; Q156-I160 WeakPolarHBondContact O-CB 3.38Å; Q156-I160 WeakPolarHBondContact O-CG1 3.49Å; Q156-I160 PolarHBondContact O-N 3.23Å; V158-I160 PolarHBondContact O-N 3.26Å; I160-M162 VanDerWaalsContact C-N 3.32Å; I160-M162 PolarHBondContact O-N 3.33Å; I160-L163 HydrophobicContact CD1-CD1 4.43Å; I160-L163 PolarHBondContact O-N 3.39Å; I160-L164 HydrophobicContact CG2-CD1 3.62Å; I160-L164 HydrophobicContact CG2-CG 4.22Å; I160-L164 WeakPolarHBondContact O-CB 3.4Å; I160-L164 WeakPolarHBondContact O-CD1 3.42Å; I160-L164 WeakPolarHBondContact O-CG 3.27Å; I160-L164 PolarHBondContact O-N 2.99Å; I160-F188 HydrophobicContact CD1-CD2 4.47Å; I160-F188 HydrophobicContact CD1-CE2 3.68Å; I160-F188 HydrophobicContact CD1-CZ 4.16Å; I160-I206 HydrophobicContact CD1-CG2 3.84Å; I160-I206 WeakPolarHBondContact CD1-O 3.46Å; I160-I206 HydrophobicContact CG1-CG2 3.92Å; I160-F207 HydrophobicContact CD1-CB 3.84Å; I160-F207 HydrophobicContact CD1-CD2 3.59Å; I160-F207 HydrophobicContact CD1-CG 4.2Å; I160-P210 HydrophobicContact CG2-CB 4.24Å
161R89.3Confident87.7Confident170 Ų17045.1 Ų45.164%0.64223%0.228SC*.Hα-helixtrans-57.9-44.8177.2-178.4179.364.6-172.8-0.1112.1A157 V158 N165A157-R161 VanDerWaalsContact O-CB 3.3Å; A157-R161 WeakPolarHBondContact O-CB 3.43Å; A157-R161 PolarHBondContact O-N 3.04Å; V158-R161 PolarHBondContact O-N 3.42Å; R161-N165 WeakPolarHBondContact O-CB 3.24Å; R161-N165 PolarHBondContact O-N 2.87Å; R161-N165 VanDerWaalsContact O-N 3.07Å
162M87Confident87.6Confident48 Ų4849.2 Ų49.224%0.23626%0.256CS..Hα-helixtrans-71.4-42.1-179.9-70.8-179.176.500112.3V83 L84 V158 L159 I160 L164 N165 E166V83-M162 HydrophobicContact CG1-CE 3.79Å; V83-M162 HydrophobicContact CG1-SD 3.19Å; V83-M162 WeakPolarHBondContact CG1-SD 3.46Å; L84-M162 HydrophobicContact CD1-CB 3.29Å; L84-M162 HydrophobicContact CD1-CE 3.87Å; L84-M162 HydrophobicContact CD1-CG 4.05Å; L84-M162 HydrophobicContact CD1-SD 3.61Å; L84-M162 HydrophobicContact CD2-CB 4.45Å; V158-M162 HydrophobicContact CG1-SD 3.98Å; V158-M162 WeakPolarHBondContact O-CG 3.26Å; V158-M162 PolarHBondContact O-N 3.19Å; L159-M162 PolarHBondContact O-N 2.87Å; I160-M162 VanDerWaalsContact C-N 3.32Å; I160-M162 PolarHBondContact O-N 3.33Å; M162-L164 VanDerWaalsContact C-N 3.3Å; M162-L164 PolarHBondContact O-N 2.9Å; M162-N165 PolarHBondContact O-N 2.7Å; M162-N165 VanDerWaalsContact O-N 3.11Å; M162-E166 WeakPolarHBondContact O-CG 3.42Å; M162-E166 PolarHBondContact O-N 3.36Å
163L89.3Confident87.4Confident0 Ų052 Ų520%029%0.285CS..Hα-helixtrans-57.4-44.5174.1-73.9167.2000111.4L84 L159 I160 N165 E166 I167 I181 V184 F188 F207L84-L163 HydrophobicContact CD2-CD2 3.65Å; L84-L163 HydrophobicContact CD2-CG 4.02Å; L159-L163 WeakPolarHBondContact O-CB 3.02Å; L159-L163 WeakPolarHBondContact O-CG 3.44Å; L159-L163 PolarHBondContact O-N 2.9Å; I160-L163 HydrophobicContact CD1-CD1 4.43Å; I160-L163 PolarHBondContact O-N 3.39Å; L163-N165 VanDerWaalsContact C-N 3.29Å; L163-N165 PolarHBondContact O-N 2.88Å; L163-E166 PolarHBondContact O-N 3.28Å; L163-I167 WeakPolarHBondContact O-CB 3.45Å; L163-I167 WeakPolarHBondContact O-CD1 3.33Å; L163-I167 VanDerWaalsContact O-CG1 3.24Å; L163-I167 WeakPolarHBondContact O-CG1 3.45Å; L163-I167 PolarHBondContact O-N 3.35Å; L163-I181 HydrophobicContact CD2-CB 4.43Å; L163-I181 HydrophobicContact CD2-CG2 4.08Å; L163-V184 HydrophobicContact CD1-CG1 3.85Å; L163-V184 HydrophobicContact CD2-CB 4.21Å; L163-V184 HydrophobicContact CD2-CG1 4.26Å; L163-V184 HydrophobicContact CG-CG1 4.46Å; L163-F188 HydrophobicContact CD1-CE2 3.76Å; L163-F188 HydrophobicContact CD1-CZ 4.23Å; L163-F207 HydrophobicContact CB-CE2 4.07Å; L163-F207 HydrophobicContact CD1-CD2 4.14Å; L163-F207 HydrophobicContact CD1-CE2 4.08Å
164L90.2Very high87Confident31 Ų3153.5 Ų53.516%0.16229%0.292CS..Hα-helixtrans-65.9-33.3177.8-65.7170.1000112.1I160 M162 K168 P210 F211 K214I160-L164 HydrophobicContact CG2-CD1 3.62Å; I160-L164 HydrophobicContact CG2-CG 4.22Å; I160-L164 WeakPolarHBondContact O-CB 3.4Å; I160-L164 WeakPolarHBondContact O-CD1 3.42Å; I160-L164 WeakPolarHBondContact O-CG 3.27Å; I160-L164 PolarHBondContact O-N 2.99Å; M162-L164 VanDerWaalsContact C-N 3.3Å; M162-L164 PolarHBondContact O-N 2.9Å; L164-K168 WeakPolarHBondContact O-CB 3.41Å; L164-K168 PolarHBondContact O-N 2.93Å; L164-P210 HydrophobicContact CD1-CB 4.34Å; L164-F211 HydrophobicContact CD2-CB 4.04Å; L164-F211 HydrophobicContact CD2-CD2 3.99Å; L164-K214 HydrophobicContact CD1-CG 4.17Å; L164-K214 HydrophobicContact CD2-CB 4.45Å
165N88.4Confident86.4Confident84 Ų8457.4 Ų57.445%0.44931%0.31SS..Hα-helixtrans-71.2-44.4175.5-162.952000112.1R161 M162 L163 I167 K168 N169R161-N165 WeakPolarHBondContact O-CB 3.24Å; R161-N165 PolarHBondContact O-N 2.87Å; R161-N165 VanDerWaalsContact O-N 3.07Å; M162-N165 PolarHBondContact O-N 2.7Å; M162-N165 VanDerWaalsContact O-N 3.11Å; L163-N165 VanDerWaalsContact C-N 3.29Å; L163-N165 PolarHBondContact O-N 2.88Å; N165-I167 VanDerWaalsContact C-N 3.31Å; N165-I167 PolarHBondContact O-N 3.32Å; N165-K168 WeakPolarHBondContact O-CB 3.43Å; N165-K168 PolarHBondContact O-N 3.48Å; N165-K168 VanDerWaalsContact O-N 3.13Å; N165-N169 PolarHBondContact O-N 3.29Å; N165-N169 PolarHBondContact O-OD1 3.17Å
166E86.8Confident85.9Confident65 Ų6557.9 Ų57.930%0.30431%0.313SS..Hα-helixtrans-60.7-40.5174.9-68.7-68.4147.100111.6M162 L163 N169 D170 P176 I181M162-E166 WeakPolarHBondContact O-CG 3.42Å; M162-E166 PolarHBondContact O-N 3.36Å; L163-E166 PolarHBondContact O-N 3.28Å; E166-N169 PolarHBondContact O-N 3.32Å; E166-D170 PolarHBondContact O-N 3.17Å; E166-P176 HydrophobicContact CB-CB 4.43Å; E166-P176 WeakPolarHBondContact OE2-CB 3.38Å; E166-I181 HydrophobicContact CB-CD1 4.05Å
167I89.3Confident85.7Confident1 Ų159.3 Ų59.31%0.00532%0.323CS..Hα-helixtrans-66.1-39.1174.6-68.8166.5000111.3L163 N165 N169 D170 R171 I181 F207 F211 Y253L163-I167 WeakPolarHBondContact O-CB 3.45Å; L163-I167 WeakPolarHBondContact O-CD1 3.33Å; L163-I167 VanDerWaalsContact O-CG1 3.24Å; L163-I167 WeakPolarHBondContact O-CG1 3.45Å; L163-I167 PolarHBondContact O-N 3.35Å; N165-I167 VanDerWaalsContact C-N 3.31Å; N165-I167 PolarHBondContact O-N 3.32Å; I167-N169 VanDerWaalsContact C-N 3.32Å; I167-D170 PolarHBondContact O-N 2.76Å; I167-R171 WeakPolarHBondContact O-CG 3.5Å; I167-R171 PolarHBondContact O-N 2.86Å; I167-I181 HydrophobicContact CG1-CG2 4.4Å; I167-F207 HydrophobicContact CD1-CE2 4.45Å; I167-F207 HydrophobicContact CD1-CZ 3.92Å; I167-F211 HydrophobicContact CD1-CD2 4.13Å; I167-F211 HydrophobicContact CD1-CE2 4.05Å; I167-F211 HydrophobicContact CG2-CE2 4.17Å; I167-Y253 HydrophobicContact CD1-CD2 4.33Å; I167-Y253 HydrophobicContact CD1-CE2 3.68Å; I167-Y253 HydrophobicContact CG1-CE1 4.1Å; I167-Y253 HydrophobicContact CG1-CE2 4.09Å; I167-Y253 WeakPolarHBondContact CG2-OH 3.38Å
168K88.4Confident85.5Confident106 Ų10658.7 Ų58.746%0.46131%0.307SS..Hα-helixtrans-62.5-42.4174-176.5-175.5174.4-173.70110.8L164 N165 D170 R171 C172L164-K168 WeakPolarHBondContact O-CB 3.41Å; L164-K168 PolarHBondContact O-N 2.93Å; N165-K168 WeakPolarHBondContact O-CB 3.43Å; N165-K168 PolarHBondContact O-N 3.48Å; N165-K168 VanDerWaalsContact O-N 3.13Å; K168-D170 VanDerWaalsContact C-N 3.34Å; K168-D170 PolarHBondContact O-N 2.81Å; K168-R171 WeakPolarHBondContact O-CA 3.49Å; K168-R171 WeakPolarHBondContact O-CB 3.46Å; K168-R171 PolarHBondContact O-N 3.42Å; K168-R171 VanDerWaalsContact O-N 3.09Å; K168-C172 PolarHBondContact O-N 2.88Å; K168-C172 PolarHBondContact O-SG 3.33Å
169N86.6Confident85.4Confident37 Ų3762.5 Ų62.520%0.19832%0.32CS..Hα-helixtrans-64.4-38.4176.7-73.113.3000111.8N165 E166 I167 R171 C172 G173 E174N165-N169 PolarHBondContact O-N 3.29Å; N165-N169 PolarHBondContact O-OD1 3.17Å; E166-N169 PolarHBondContact O-N 3.32Å; I167-N169 VanDerWaalsContact C-N 3.32Å; N169-R171 VanDerWaalsContact C-N 3.26Å; N169-R171 PolarHBondContact O-N 3.35Å; N169-C172 CarbonylContact O-C 3.44Å; N169-C172 WeakPolarHBondContact O-CA 3.4Å; N169-C172 PolarHBondContact O-N 3.44Å; N169-G173 PolarHBondContact O-N 3.4Å; N169-E174 HydrophobicContact CB-CB 4.09Å; N169-E174 HydrophobicContact CB-CG 4.46Å; N169-E174 WeakPolarHBondContact CB-OE2 3.42Å; N169-E174 PolarHBondContact ND2-OE2 3.29Å; N169-E174 PolarHBondContact O-N 3.46Å
170D87.3Confident85.4Confident13 Ų1363 Ų637%0.0732%0.322CS..Hα-helixtrans-62.7-30.1171-170.943.8000113.1E166 I167 K168 E174 P176 R249E166-D170 PolarHBondContact O-N 3.17Å; I167-D170 PolarHBondContact O-N 2.76Å; K168-D170 VanDerWaalsContact C-N 3.34Å; K168-D170 PolarHBondContact O-N 2.81Å; D170-E174 VanDerWaalsContact CA-O 3.3Å; D170-E174 WeakPolarHBondContact CA-O 3.5Å; D170-P176 HydrophobicContact CB-CG 3.84Å; D170-R249 PolarHBondContact O-NH2 3.19Å; D170-R249 VanDerWaalsContact OD2-CD 3.25Å; D170-R249 WeakPolarHBondContact OD2-CD 3.34Å; D170-R249 WeakPolarHBondContact OD2-CG 3.32Å; D170-R249 IonicContact OD2-CZ 3.34Å; D170-R249 IonicContact OD2-NE 3.78Å; D170-R249 PolarHBondContact OD2-NE 2.9Å; D170-R249 IonicContact OD2-NH2 2.82Å
171R85.9Confident85.3Confident27 Ų2762.3 Ų62.310%0.10232%0.319CS..Hα-helixtrans-73.4-30.7171.1-69.3172.1178155.56.3112.5I167 K168 N169 G173 T215 Y218 E246I167-R171 WeakPolarHBondContact O-CG 3.5Å; I167-R171 PolarHBondContact O-N 2.86Å; K168-R171 WeakPolarHBondContact O-CA 3.49Å; K168-R171 WeakPolarHBondContact O-CB 3.46Å; K168-R171 PolarHBondContact O-N 3.42Å; K168-R171 VanDerWaalsContact O-N 3.09Å; N169-R171 VanDerWaalsContact C-N 3.26Å; N169-R171 PolarHBondContact O-N 3.35Å; R171-G173 VanDerWaalsContact C-N 3.32Å; R171-T215 PolarHBondContact NH2-OG1 3.27Å; R171-Y218 HydrophobicContact CB-CE1 4.11Å; R171-Y218 HydrophobicContact CB-CE2 4.2Å; R171-Y218 HydrophobicContact CG-CE1 4.33Å; R171-E246 IonicContact CZ-OE1 2.66Å; R171-E246 IonicContact CZ-OE2 3.95Å; R171-E246 IonicContact NE-OE1 3.34Å; R171-E246 IonicContact NE-OE2 3.79Å; R171-E246 PolarHBondContact NE-OE2 3.21Å; R171-E246 IonicContact NH2-OE1 2.63Å; R171-E246 PolarHBondContact NH2-OE1 2.94Å; R171-E246 IonicContact NH2-OE2 3Å
172C84.4Confident85.3Confident87 Ų8757.5 Ų57.559%0.58830%0.303SS*.THydrogen-bonded Turntrans-83.6-2.8175.7-63.70000114K168 N169K168-C172 PolarHBondContact O-N 2.88Å; K168-C172 PolarHBondContact O-SG 3.33Å; N169-C172 CarbonylContact O-C 3.44Å; N169-C172 WeakPolarHBondContact O-CA 3.4Å; N169-C172 PolarHBondContact O-N 3.44Å
173G81Confident85.3Confident58 Ų5855.7 Ų55.760%0.59830%0.298SS*.THydrogen-bonded Turntrans97.37.1174.700000115.6N169 R171N169-G173 PolarHBondContact O-N 3.4Å; R171-G173 VanDerWaalsContact C-N 3.32Å
174E80.9Confident85.3Confident114 Ų11455.7 Ų55.753%0.53330%0.298SS..  trans-75.8141.9165.8-64-176.7177.600109.2N169 D170 P176N169-E174 HydrophobicContact CB-CB 4.09Å; N169-E174 HydrophobicContact CB-CG 4.46Å; N169-E174 WeakPolarHBondContact CB-OE2 3.42Å; N169-E174 PolarHBondContact ND2-OE2 3.29Å; N169-E174 PolarHBondContact O-N 3.46Å; D170-E174 VanDerWaalsContact CA-O 3.3Å; D170-E174 WeakPolarHBondContact CA-O 3.5Å; E174-P176 WeakPolarHBondContact O-CD 3.46Å
175N74.2Confident85.2Confident142 Ų14254.2 Ų54.276%0.75929%0.29SS*.  trans-99.291.1-179.6-74.1-63.3000110.5
176P77.4Confident85.2Confident17 Ų1752.9 Ų52.911%0.1128%0.283CS..  trans-72.7166.7177.133.9-39.2000111.2E166 D170 E174 Q178 I181E166-P176 HydrophobicContact CB-CB 4.43Å; E166-P176 WeakPolarHBondContact OE2-CB 3.38Å; D170-P176 HydrophobicContact CB-CG 3.84Å; E174-P176 WeakPolarHBondContact O-CD 3.46Å; P176-Q178 VanDerWaalsContact C-N 3.33Å; P176-Q178 PolarHBondContact O-N 3.13Å; P176-I181 HydrophobicContact CB-CD1 3.91Å; P176-I181 HydrophobicContact CG-CD1 3.71Å
177N81.4Confident85.3Confident100 Ų10049.8 Ų49.854%0.53527%0.268SS..  trans-71.889.9175.4-167.9-22.4000110.4K179 V180 I181N177-K179 PolarHBondContact O-N 3.44Å; N177-K179 VanDerWaalsContact O-N 3.1Å; N177-K179 WeakPolarHBondContact OD1-CB 3.13Å; N177-K179 PolarHBondContact OD1-N 2.69Å; N177-V180 HydrophobicContact CB-CB 4.28Å; N177-V180 HydrophobicContact CB-CG2 3.92Å; N177-V180 WeakPolarHBondContact O-CB 3.47Å; N177-V180 PolarHBondContact O-N 3.49Å; N177-I181 PolarHBondContact O-N 3.11Å
178Q83.6Confident85.2Confident64 Ų6449.8 Ų49.830%0.29927%0.268SS..Hα-helixtrans-54-32.1-176.9-65.9168.66.900112.8P176 H182P176-Q178 VanDerWaalsContact C-N 3.33Å; P176-Q178 PolarHBondContact O-N 3.13Å; Q178-H182 WeakPolarHBondContact O-CB 3.49Å; Q178-H182 PolarHBondContact O-N 3.06Å
179K85.8Confident85.2Confident132 Ų13245.8 Ų45.857%0.57425%0.252SS*.Hα-helixtrans-65.3-39.7176.9-172.7-177175.8-168.20111.7N177 G183N177-K179 PolarHBondContact O-N 3.44Å; N177-K179 VanDerWaalsContact O-N 3.1Å; N177-K179 WeakPolarHBondContact OD1-CB 3.13Å; N177-K179 PolarHBondContact OD1-N 2.69Å; K179-G183 PolarHBondContact O-N 2.87Å
180V86.9Confident85.1Confident9 Ų946.3 Ų46.36%0.05525%0.254CS..Hα-helixtrans-66.6-49.6178.6176.40000109.6L84 V85 H88 N177 H182 G183 V184L84-V180 HydrophobicContact CB-CG1 4.34Å; V85-V180 HydrophobicContact CG2-CG1 4.32Å; V85-V180 HydrophobicContact CG2-CG2 4.38Å; H88-V180 HydrophobicContact CB-CG1 3.98Å; N177-V180 HydrophobicContact CB-CB 4.28Å; N177-V180 HydrophobicContact CB-CG2 3.92Å; N177-V180 WeakPolarHBondContact O-CB 3.47Å; N177-V180 PolarHBondContact O-N 3.49Å; V180-H182 PolarHBondContact O-N 3.3Å; V180-G183 PolarHBondContact O-N 3.17Å; V180-V184 HydrophobicContact CG1-CG2 4.32Å; V180-V184 VanDerWaalsContact O-CG2 3.3Å; V180-V184 WeakPolarHBondContact O-CG2 3.47Å; V180-V184 PolarHBondContact O-N 3.41Å
181I87.9Confident84.9Confident3 Ų345.7 Ų45.72%0.01525%0.25CS..Hα-helixtrans-57-51178.9-59.4170.5000110.3L163 E166 I167 P176 N177 G183 V184 I185 Y253L163-I181 HydrophobicContact CD2-CB 4.43Å; L163-I181 HydrophobicContact CD2-CG2 4.08Å; E166-I181 HydrophobicContact CB-CD1 4.05Å; I167-I181 HydrophobicContact CG1-CG2 4.4Å; P176-I181 HydrophobicContact CB-CD1 3.91Å; P176-I181 HydrophobicContact CG-CD1 3.71Å; N177-I181 PolarHBondContact O-N 3.11Å; I181-G183 PolarHBondContact O-N 3.08Å; I181-V184 PolarHBondContact O-N 3.33Å; I181-I185 HydrophobicContact CG2-CD1 3.77Å; I181-I185 WeakPolarHBondContact O-CB 3.49Å; I181-I185 VanDerWaalsContact O-CG1 3.29Å; I181-I185 WeakPolarHBondContact O-CG1 3.29Å; I181-I185 PolarHBondContact O-N 2.96Å; I181-Y253 HydrophobicContact CG2-CD1 4.19Å; I181-Y253 HydrophobicContact CG2-CD2 4.21Å; I181-Y253 HydrophobicContact CG2-CG 3.84Å
182H88.6Confident84.6Confident69 Ų6944.9 Ų44.932%0.31925%0.248SC..Hα-helixtrans-61.2-43.1178.3-176.354.9000112.3Q178 V180 I185 N186 Y253Q178-H182 WeakPolarHBondContact O-CB 3.49Å; Q178-H182 PolarHBondContact O-N 3.06Å; V180-H182 PolarHBondContact O-N 3.3Å; H182-I185 PolarHBondContact O-N 2.98Å; H182-N186 PolarHBondContact CD2-ND2 2.74Å; H182-N186 VanDerWaalsContact CD2-ND2 3.31Å; H182-N186 PolarHBondContact CE1-ND2 2.99Å; H182-N186 PolarHBondContact CE1-OD1 3.22Å; H182-N186 PolarHBondContact NE2-ND2 3.38Å; H182-N186 WeakPolarHBondContact O-CB 3.22Å; H182-N186 PolarHBondContact O-N 3.39Å; H182-N186 PolarHBondContact O-ND2 3Å; H182-Y253 PolarHBondContact ND1-O 3Å
183G86.3Confident84.3Confident11 Ų1146.4 Ų46.411%0.11325%0.246CC..Hα-helixtrans-65.8-38.9179.900000113.7K179 V180 I181 S187K179-G183 PolarHBondContact O-N 2.87Å; V180-G183 PolarHBondContact O-N 3.17Å; I181-G183 PolarHBondContact O-N 3.08Å; G183-S187 PolarHBondContact O-N 2.86Å; G183-S187 VanDerWaalsContact O-N 3.08Å
184V89.6Confident83.8Confident0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-68.6-42.5174.4179.50000110.9Y87 H88 L163 V180 I181 N186 S187 F188Y87-V184 HydrophobicContact CD1-CB 4.47Å; Y87-V184 HydrophobicContact CD1-CG1 4.01Å; Y87-V184 HydrophobicContact CD1-CG2 3.85Å; Y87-V184 HydrophobicContact CE1-CB 4.46Å; Y87-V184 HydrophobicContact CE1-CG1 3.88Å; Y87-V184 HydrophobicContact CE1-CG2 4.29Å; H88-V184 HydrophobicContact CB-CG2 3.89Å; L163-V184 HydrophobicContact CD1-CG1 3.85Å; L163-V184 HydrophobicContact CD2-CB 4.21Å; L163-V184 HydrophobicContact CD2-CG1 4.26Å; L163-V184 HydrophobicContact CG-CG1 4.46Å; V180-V184 HydrophobicContact CG1-CG2 4.32Å; V180-V184 VanDerWaalsContact O-CG2 3.3Å; V180-V184 WeakPolarHBondContact O-CG2 3.47Å; V180-V184 PolarHBondContact O-N 3.41Å; I181-V184 PolarHBondContact O-N 3.33Å; V184-N186 PolarHBondContact O-N 3.17Å; V184-S187 WeakPolarHBondContact O-CB 3.48Å; V184-S187 PolarHBondContact O-N 3.46Å; V184-S187 VanDerWaalsContact O-N 3.16Å; V184-F188 HydrophobicContact CG1-CE1 4.46Å; V184-F188 HydrophobicContact CG1-CE2 4.21Å; V184-F188 HydrophobicContact CG1-CZ 3.88Å; V184-F188 PolarHBondContact O-N 3.28Å
185I89.3Confident83.5Confident0 Ų044.3 Ų44.30%022%0.218CC..Hα-helixtrans-63.5-43.5176.8-70.5169.3000111.2I181 H182 S187 F188 V189 Y203 F207 Y253 L254I181-I185 HydrophobicContact CG2-CD1 3.77Å; I181-I185 WeakPolarHBondContact O-CB 3.49Å; I181-I185 VanDerWaalsContact O-CG1 3.29Å; I181-I185 WeakPolarHBondContact O-CG1 3.29Å; I181-I185 PolarHBondContact O-N 2.96Å; H182-I185 PolarHBondContact O-N 2.98Å; I185-S187 PolarHBondContact O-N 3.46Å; I185-F188 WeakPolarHBondContact O-CB 3.35Å; I185-F188 PolarHBondContact O-N 2.93Å; I185-F188 VanDerWaalsContact O-N 3.08Å; I185-V189 PolarHBondContact O-N 2.94Å; I185-Y203 HydrophobicContact CG2-CD2 4.14Å; I185-Y203 HydrophobicContact CG2-CE2 3.57Å; I185-F207 HydrophobicContact CD1-CE1 3.91Å; I185-F207 HydrophobicContact CD1-CE2 4.11Å; I185-F207 HydrophobicContact CD1-CZ 3.58Å; I185-F207 HydrophobicContact CG1-CD2 4.45Å; I185-F207 HydrophobicContact CG1-CE1 4.25Å; I185-F207 HydrophobicContact CG1-CE2 4.13Å; I185-F207 HydrophobicContact CG1-CZ 4.02Å; I185-Y253 HydrophobicContact CD1-CD2 3.77Å; I185-Y253 HydrophobicContact CD1-CG 4.4Å; I185-L254 HydrophobicContact CD1-CD2 4.33Å
186N86.9Confident83.1Confident56 Ų5647.7 Ų47.730%0.29923%0.226SC..Hα-helixtrans-62.2-31175.4-75.8-16.4000112.1H182 V184 F188 V189 H190H182-N186 PolarHBondContact CD2-ND2 2.74Å; H182-N186 VanDerWaalsContact CD2-ND2 3.31Å; H182-N186 PolarHBondContact CE1-ND2 2.99Å; H182-N186 PolarHBondContact CE1-OD1 3.22Å; H182-N186 PolarHBondContact NE2-ND2 3.38Å; H182-N186 WeakPolarHBondContact O-CB 3.22Å; H182-N186 PolarHBondContact O-N 3.39Å; H182-N186 PolarHBondContact O-ND2 3Å; V184-N186 PolarHBondContact O-N 3.17Å; N186-F188 VanDerWaalsContact C-N 3.31Å; N186-F188 PolarHBondContact O-N 3.46Å; N186-V189 PolarHBondContact O-N 2.94Å; N186-V189 VanDerWaalsContact O-N 3.15Å; N186-H190 VanDerWaalsContact O-CB 3.27Å; N186-H190 WeakPolarHBondContact O-CB 3.48Å; N186-H190 PolarHBondContact O-N 3.42Å
187S89.9Confident82.4Confident0 Ų054.9 Ų54.90%026%0.255CS..Hα-helixtrans-58-44.5172.4-178.20000111.3Y87 W91 G183 V184 I185 V189 H190 V191Y87-S187 PolarHBondContact OH-OG 2.92Å; W91-S187 VanDerWaalsContact CE2-CB 3.41Å; W91-S187 VanDerWaalsContact CE2-OG 3.24Å; G183-S187 PolarHBondContact O-N 2.86Å; G183-S187 VanDerWaalsContact O-N 3.08Å; V184-S187 WeakPolarHBondContact O-CB 3.48Å; V184-S187 PolarHBondContact O-N 3.46Å; V184-S187 VanDerWaalsContact O-N 3.16Å; I185-S187 PolarHBondContact O-N 3.46Å; S187-V189 PolarHBondContact O-N 3.24Å; S187-H190 PolarHBondContact O-N 3.03Å; S187-V191 WeakPolarHBondContact O-CB 3.23Å; S187-V191 WeakPolarHBondContact O-CG2 3.4Å; S187-V191 PolarHBondContact O-N 2.88Å; S187-V191 VanDerWaalsContact O-N 3.1Å
188F87.8Confident81.8Confident1 Ų156 Ų560%0.00426%0.256CS..Hα-helixtrans-64.1-28.5177.3-54.6-32.3000113.2I152 L159 I160 L163 V184 I185 N186 F202 F207I152-F188 HydrophobicContact CD1-CD1 4.04Å; I152-F188 HydrophobicContact CD1-CE1 4.43Å; I152-F188 HydrophobicContact CG1-CD1 4.37Å; I152-F188 HydrophobicContact CG1-CE1 4.27Å; I152-F188 HydrophobicContact CG2-CD1 3.89Å; I152-F188 HydrophobicContact CG2-CE1 3.69Å; L159-F188 HydrophobicContact CB-CZ 4.39Å; L159-F188 HydrophobicContact CD1-CE1 4.45Å; L159-F188 HydrophobicContact CD1-CZ 4.38Å; I160-F188 HydrophobicContact CD1-CD2 4.47Å; I160-F188 HydrophobicContact CD1-CE2 3.68Å; I160-F188 HydrophobicContact CD1-CZ 4.16Å; L163-F188 HydrophobicContact CD1-CE2 3.76Å; L163-F188 HydrophobicContact CD1-CZ 4.23Å; V184-F188 HydrophobicContact CG1-CE1 4.46Å; V184-F188 HydrophobicContact CG1-CE2 4.21Å; V184-F188 HydrophobicContact CG1-CZ 3.88Å; V184-F188 PolarHBondContact O-N 3.28Å; I185-F188 WeakPolarHBondContact O-CB 3.35Å; I185-F188 PolarHBondContact O-N 2.93Å; I185-F188 VanDerWaalsContact O-N 3.08Å; N186-F188 VanDerWaalsContact C-N 3.31Å; N186-F188 PolarHBondContact O-N 3.46Å; F188-F202 HydrophobicContact CB-CD1 4.39Å; F188-F202 HydrophobicContact CD1-CE1 4.42Å; F188-F202 WeakPolarHBondContact O-CD1 3.36Å; F188-F207 HydrophobicContact CD2-CB 4.1Å; F188-F207 HydrophobicContact CE2-CB 4.48Å; F188-F207 HydrophobicContact CE2-CD2 4.46Å
189V87.2Confident81.2Confident21 Ų2155.6 Ų55.613%0.12726%0.259CS..Hα-helixtrans-79.2-46.8175.7176.90000111.2I185 N186 S187 V191 E192 L200 Y203 H255I185-V189 PolarHBondContact O-N 2.94Å; N186-V189 PolarHBondContact O-N 2.94Å; N186-V189 VanDerWaalsContact O-N 3.15Å; S187-V189 PolarHBondContact O-N 3.24Å; V189-V191 VanDerWaalsContact C-N 3.34Å; V189-V191 PolarHBondContact O-N 3.03Å; V189-E192 PolarHBondContact O-N 3.38Å; V189-L200 HydrophobicContact CG1-CD2 3.69Å; V189-Y203 HydrophobicContact CG2-CD1 4.38Å; V189-Y203 HydrophobicContact CG2-CD2 3.78Å; V189-Y203 HydrophobicContact CG2-CE2 4.48Å; V189-Y203 HydrophobicContact CG2-CG 3.72Å; V189-H255 HydrophobicContact CG2-CB 4.46Å
190H84.9Confident81.1Confident48 Ų4851 Ų5122%0.22224%0.24CC..Hα-helixtrans-68.6-33.1-172.3-167.467.7000112.6W91 N186 S187 E192 Q193W91-H190 HydrophobicContact CH2-CB 4.38Å; W91-H190 AromaticContact CH2-CD2 3.83Å; W91-H190 HydrophobicContact CZ2-CB 3.81Å; W91-H190 AromaticContact CZ2-CD2 3.56Å; N186-H190 VanDerWaalsContact O-CB 3.27Å; N186-H190 WeakPolarHBondContact O-CB 3.48Å; N186-H190 PolarHBondContact O-N 3.42Å; S187-H190 PolarHBondContact O-N 3.03Å; H190-E192 PolarHBondContact O-N 2.78Å; H190-Q193 PolarHBondContact CE1-OE1 3.16Å; H190-Q193 PolarHBondContact ND1-OE1 3.06Å; H190-Q193 WeakPolarHBondContact O-CB 3.26Å; H190-Q193 PolarHBondContact O-N 2.72Å
191V83.5Confident80.9Confident0 Ų055.3 Ų55.30%026%0.258CS..THydrogen-bonded Turntrans-62.8-22.5-179.2166.40000113.8W91 K148 I152 S187 V189 Y194W91-V191 HydrophobicContact CH2-CG2 3.37Å; W91-V191 HydrophobicContact CZ2-CG2 4.3Å; W91-V191 HydrophobicContact CZ3-CG2 3.65Å; K148-V191 HydrophobicContact CB-CG1 3.38Å; K148-V191 HydrophobicContact CD-CG1 4.01Å; K148-V191 HydrophobicContact CG-CG1 3.64Å; I152-V191 HydrophobicContact CD1-CB 4.24Å; I152-V191 HydrophobicContact CD1-CG1 4.27Å; I152-V191 HydrophobicContact CD1-CG2 3.7Å; S187-V191 WeakPolarHBondContact O-CB 3.23Å; S187-V191 WeakPolarHBondContact O-CG2 3.4Å; S187-V191 PolarHBondContact O-N 2.88Å; S187-V191 VanDerWaalsContact O-N 3.1Å; V189-V191 VanDerWaalsContact C-N 3.34Å; V189-V191 PolarHBondContact O-N 3.03Å; V191-Y194 WeakPolarHBondContact O-CE1 3.45Å
192E79.6Confident80.7Confident10 Ų1055.7 Ų55.75%0.04726%0.26CS..THydrogen-bonded Turntrans-110.110.7172.2-67.4-148.9139.700113.6K148 V189 H190 Y194 K195 F202K148-E192 IonicContact NZ-OE1 3.97Å; K148-E192 PolarHBondContact NZ-OE1 3.27Å; V189-E192 PolarHBondContact O-N 3.38Å; H190-E192 PolarHBondContact O-N 2.78Å; E192-Y194 PolarHBondContact O-N 2.73Å; E192-Y194 VanDerWaalsContact O-N 3.14Å; E192-K195 WeakPolarHBondContact O-CB 3.47Å; E192-K195 PolarHBondContact O-N 2.75Å; E192-K195 IonicContact OE1-NZ 3.59Å; E192-K195 PolarHBondContact OE1-NZ 3.11Å; E192-F202 HydrophobicContact CB-CB 4.48Å; E192-F202 HydrophobicContact CG-CB 3.66Å; E192-F202 HydrophobicContact CG-CG 4.23Å; E192-F202 VanDerWaalsContact OE2-CB 3.22Å; E192-F202 WeakPolarHBondContact OE2-CB 3.47Å; E192-F202 PolarHBondContact OE2-N 3.37Å
193Q77.1Confident80.7Confident119 Ų11952.4 Ų52.456%0.55625%0.245SC*.THydrogen-bonded Turntrans-61.3-26.5-178.1-175.1169.6-9.500112.9H190 K195H190-Q193 PolarHBondContact CE1-OE1 3.16Å; H190-Q193 PolarHBondContact ND1-OE1 3.06Å; H190-Q193 WeakPolarHBondContact O-CB 3.26Å; H190-Q193 PolarHBondContact O-N 2.72Å; Q193-K195 PolarHBondContact O-N 3.24Å
194Y71.1Confident80.7Confident49 Ų4955.4 Ų55.419%0.19226%0.256CS..THydrogen-bonded Turntrans-68.8-19.3175.765.4-99.6000113.6E141 L144 V191 E192 K196E141-Y194 HydrophobicContact CB-CD1 4.41Å; E141-Y194 HydrophobicContact CB-CD2 4.47Å; E141-Y194 HydrophobicContact CB-CG 4.17Å; E141-Y194 HydrophobicContact CG-CG 4.12Å; L144-Y194 HydrophobicContact CB-CD1 4.18Å; L144-Y194 HydrophobicContact CB-CE1 4.11Å; L144-Y194 HydrophobicContact CD1-CD1 4.05Å; V191-Y194 WeakPolarHBondContact O-CE1 3.45Å; E192-Y194 PolarHBondContact O-N 2.73Å; E192-Y194 VanDerWaalsContact O-N 3.14Å; Y194-K196 PolarHBondContact O-N 3.48Å
195K74.1Confident80.6Confident80 Ų8061.3 Ų61.335%0.34828%0.283SS..  trans-83.2107.8179.1-66.1-175.5-179.2170.70111E192 Q193 K197E192-K195 WeakPolarHBondContact O-CB 3.47Å; E192-K195 PolarHBondContact O-N 2.75Å; E192-K195 IonicContact OE1-NZ 3.59Å; E192-K195 PolarHBondContact OE1-NZ 3.11Å; Q193-K195 PolarHBondContact O-N 3.24Å; K195-K197 VanDerWaalsContact C-N 3.3Å; K195-K197 PolarHBondContact O-N 3.27Å
196K65.9Low80.5Confident212 Ų21262.3 Ų62.392%0.92229%0.288SS*.SBendtrans-62.8-28.8179.8-66.1-174.4179.6178.60115Y194Y194-K196 PolarHBondContact O-N 3.48Å
197K62.9Low80.6Confident168 Ų16859.7 Ų59.773%0.7327%0.274SS*.SBendtrans-82.6-36.3-171.6-160.3173.4-177.71700113.5K195K195-K197 VanDerWaalsContact C-N 3.3Å; K195-K197 PolarHBondContact O-N 3.27Å
198F69.8Low80.7Confident124 Ų12460 Ų6054%0.54428%0.276SS..  trans-151.371.9-178.7-59.7-69.3000112.1L200 K201F198-L200 PolarHBondContact O-N 3.01Å; F198-L200 VanDerWaalsContact O-N 3.12Å; F198-K201 HydrophobicContact CB-CB 3.98Å; F198-K201 PolarHBondContact O-N 2.83Å
199P70.6Confident80.8Confident56 Ų5661.3 Ų61.336%0.36429%0.289SS..THydrogen-bonded Turntrans-67.4-14.1-17426.7-35.1000114.2
200L82.3Confident81Confident35 Ų3562.4 Ų62.418%0.18330%0.297CS..THydrogen-bonded Turntrans-108.8-2.6-176.5-58.6179.3000113.9V189 F198 F202 Y203 Q204V189-L200 HydrophobicContact CG1-CD2 3.69Å; F198-L200 PolarHBondContact O-N 3.01Å; F198-L200 VanDerWaalsContact O-N 3.12Å; L200-F202 VanDerWaalsContact C-N 3.33Å; L200-F202 PolarHBondContact O-N 3.08Å; L200-Y203 PolarHBondContact O-N 3.31Å; L200-Q204 HydrophobicContact CB-CG 4.39Å; L200-Q204 VanDerWaalsContact O-CG 3.26Å; L200-Q204 WeakPolarHBondContact O-CG 3.16Å; L200-Q204 PolarHBondContact O-N 3.09Å
201K83.3Confident81.4Confident100 Ų10060.2 Ų60.244%0.43529%0.287SS..Hα-helixtrans-57.5-46.4-170.2-178.4177.3175.6-177.90111.9F198 Q204 E205F198-K201 HydrophobicContact CB-CB 3.98Å; F198-K201 PolarHBondContact O-N 2.83Å; K201-Q204 WeakPolarHBondContact O-CB 3.38Å; K201-Q204 PolarHBondContact O-N 3.28Å; K201-E205 WeakPolarHBondContact CE-OE1 3.48Å; K201-E205 HydrophobicContact CG-CG 4.45Å; K201-E205 IonicContact NZ-OE1 3.76Å; K201-E205 WeakPolarHBondContact O-CG 3.46Å; K201-E205 PolarHBondContact O-N 3.4Å
202F84Confident81.8Confident11 Ų1161.8 Ų61.85%0.04830%0.295CS..Hα-helixtrans-62.5-43.4178.9-172.6-102.8000113.5K148 I152 F188 E192 L200 Q204 E205 I206K148-F202 HydrophobicContact CD-CD2 4.48Å; K148-F202 HydrophobicContact CD-CE2 4.12Å; K148-F202 HydrophobicContact CD-CZ 4.44Å; K148-F202 VanDerWaalsContact CE-CD2 3.45Å; K148-F202 HydrophobicContact CG-CE1 4.48Å; K148-F202 HydrophobicContact CG-CE2 3.88Å; K148-F202 HydrophobicContact CG-CZ 3.77Å; I152-F202 HydrophobicContact CB-CE1 4.4Å; I152-F202 HydrophobicContact CB-CZ 4.11Å; I152-F202 HydrophobicContact CD1-CE1 4.09Å; I152-F202 HydrophobicContact CD1-CZ 4.5Å; I152-F202 HydrophobicContact CG2-CE1 3.7Å; I152-F202 HydrophobicContact CG2-CZ 3.52Å; F188-F202 HydrophobicContact CB-CD1 4.39Å; F188-F202 HydrophobicContact CD1-CE1 4.42Å; F188-F202 WeakPolarHBondContact O-CD1 3.36Å; E192-F202 HydrophobicContact CB-CB 4.48Å; E192-F202 HydrophobicContact CG-CB 3.66Å; E192-F202 HydrophobicContact CG-CG 4.23Å; E192-F202 VanDerWaalsContact OE2-CB 3.22Å; E192-F202 WeakPolarHBondContact OE2-CB 3.47Å; E192-F202 PolarHBondContact OE2-N 3.37Å; L200-F202 VanDerWaalsContact C-N 3.33Å; L200-F202 PolarHBondContact O-N 3.08Å; F202-Q204 VanDerWaalsContact C-N 3.3Å; F202-Q204 PolarHBondContact O-N 3.41Å; F202-E205 PolarHBondContact O-N 3.08Å; F202-I206 HydrophobicContact CD1-CD1 3.89Å; F202-I206 HydrophobicContact CD2-CD1 3.35Å; F202-I206 HydrophobicContact CD2-CG1 4.34Å; F202-I206 HydrophobicContact CE1-CD1 3.59Å; F202-I206 HydrophobicContact CE2-CD1 3.01Å; F202-I206 HydrophobicContact CE2-CG1 4.34Å; F202-I206 HydrophobicContact CG-CD1 3.8Å; F202-I206 HydrophobicContact CZ-CD1 3.15Å; F202-I206 WeakPolarHBondContact O-CB 3.41Å; F202-I206 WeakPolarHBondContact O-CG1 3.47Å; F202-I206 PolarHBondContact O-N 2.99Å
203Y88.5Confident82.4Confident0 Ų066.4 Ų66.40%032%0.319CS..Hα-helixtrans-60.2-41.3173165.3-100000111.9I185 V189 L200 F207 E208 H255 S258I185-Y203 HydrophobicContact CG2-CD2 4.14Å; I185-Y203 HydrophobicContact CG2-CE2 3.57Å; V189-Y203 HydrophobicContact CG2-CD1 4.38Å; V189-Y203 HydrophobicContact CG2-CD2 3.78Å; V189-Y203 HydrophobicContact CG2-CE2 4.48Å; V189-Y203 HydrophobicContact CG2-CG 3.72Å; L200-Y203 PolarHBondContact O-N 3.31Å; Y203-F207 HydrophobicContact CD2-CB 4.21Å; Y203-F207 HydrophobicContact CD2-CD1 4.26Å; Y203-F207 HydrophobicContact CE2-CB 4.26Å; Y203-F207 AromaticContact CE2-CD1 3.48Å; Y203-F207 HydrophobicContact CE2-CD1 3.48Å; Y203-F207 VanDerWaalsContact CE2-CD1 3.48Å; Y203-F207 HydrophobicContact CE2-CE1 4.26Å; Y203-F207 HydrophobicContact CE2-CG 4.22Å; Y203-F207 PolarHBondContact O-N 3.22Å; Y203-E208 HydrophobicContact CD1-CB 4.44Å; Y203-E208 HydrophobicContact CE1-CB 4.02Å; Y203-E208 HydrophobicContact CE1-CG 4.35Å; Y203-E208 PolarHBondContact O-N 2.77Å; Y203-H255 HydrophobicContact CE1-CB 4.05Å; Y203-S258 VanDerWaalsContact CE1-OG 3.25Å; Y203-S258 WeakPolarHBondContact CE1-OG 3.43Å; Y203-S258 PolarHBondContact OH-OG 3.28Å
204Q87.1Confident83.1Confident74 Ų7465.7 Ų65.735%0.34631%0.314SS..Iπ-helixtrans-65.2-44.8-179.7-67.6177.1-14.400112.3L200 K201 F202 E208 G209L200-Q204 HydrophobicContact CB-CG 4.39Å; L200-Q204 VanDerWaalsContact O-CG 3.26Å; L200-Q204 WeakPolarHBondContact O-CG 3.16Å; L200-Q204 PolarHBondContact O-N 3.09Å; K201-Q204 WeakPolarHBondContact O-CB 3.38Å; K201-Q204 PolarHBondContact O-N 3.28Å; F202-Q204 VanDerWaalsContact C-N 3.3Å; F202-Q204 PolarHBondContact O-N 3.41Å; Q204-E208 WeakPolarHBondContact CG-OE2 3.32Å; Q204-G209 PolarHBondContact O-N 2.84Å
205E86.9Confident84.1Confident123 Ų12363.4 Ų63.458%0.57531%0.305SS*.Iπ-helixtrans-72.9-41.8-178-72.2177.9170.900112.5K201 F202K201-E205 WeakPolarHBondContact CE-OE1 3.48Å; K201-E205 HydrophobicContact CG-CG 4.45Å; K201-E205 IonicContact NZ-OE1 3.76Å; K201-E205 WeakPolarHBondContact O-CG 3.46Å; K201-E205 PolarHBondContact O-N 3.4Å; F202-E205 PolarHBondContact O-N 3.08Å
206I86.4Confident84.9Confident22 Ų2259.6 Ų59.611%0.11329%0.289CS..Iπ-helixtrans-89.1-39.9-170.4-65.1179.5000112.5Q156 I160 F202 P210Q156-I206 HydrophobicContact CB-CG2 4.2Å; I160-I206 HydrophobicContact CD1-CG2 3.84Å; I160-I206 WeakPolarHBondContact CD1-O 3.46Å; I160-I206 HydrophobicContact CG1-CG2 3.92Å; F202-I206 HydrophobicContact CD1-CD1 3.89Å; F202-I206 HydrophobicContact CD2-CD1 3.35Å; F202-I206 HydrophobicContact CD2-CG1 4.34Å; F202-I206 HydrophobicContact CE1-CD1 3.59Å; F202-I206 HydrophobicContact CE2-CD1 3.01Å; F202-I206 HydrophobicContact CE2-CG1 4.34Å; F202-I206 HydrophobicContact CG-CD1 3.8Å; F202-I206 HydrophobicContact CZ-CD1 3.15Å; F202-I206 WeakPolarHBondContact O-CB 3.41Å; F202-I206 WeakPolarHBondContact O-CG1 3.47Å; F202-I206 PolarHBondContact O-N 2.99Å; I206-P210 WeakPolarHBondContact O-CG 3.47Å
207F89.9Confident86.2Confident0 Ų053.6 Ų53.60%026%0.264CS..Iπ-helixtrans-113.6-52.8-174.8-178.2-90.3000112.9I160 L163 I167 I185 F188 Y203 G209 P210 F211 L254I160-F207 HydrophobicContact CD1-CB 3.84Å; I160-F207 HydrophobicContact CD1-CD2 3.59Å; I160-F207 HydrophobicContact CD1-CG 4.2Å; L163-F207 HydrophobicContact CB-CE2 4.07Å; L163-F207 HydrophobicContact CD1-CD2 4.14Å; L163-F207 HydrophobicContact CD1-CE2 4.08Å; I167-F207 HydrophobicContact CD1-CE2 4.45Å; I167-F207 HydrophobicContact CD1-CZ 3.92Å; I185-F207 HydrophobicContact CD1-CE1 3.91Å; I185-F207 HydrophobicContact CD1-CE2 4.11Å; I185-F207 HydrophobicContact CD1-CZ 3.58Å; I185-F207 HydrophobicContact CG1-CD2 4.45Å; I185-F207 HydrophobicContact CG1-CE1 4.25Å; I185-F207 HydrophobicContact CG1-CE2 4.13Å; I185-F207 HydrophobicContact CG1-CZ 4.02Å; F188-F207 HydrophobicContact CD2-CB 4.1Å; F188-F207 HydrophobicContact CE2-CB 4.48Å; F188-F207 HydrophobicContact CE2-CD2 4.46Å; Y203-F207 HydrophobicContact CD2-CB 4.21Å; Y203-F207 HydrophobicContact CD2-CD1 4.26Å; Y203-F207 HydrophobicContact CE2-CB 4.26Å; Y203-F207 AromaticContact CE2-CD1 3.48Å; Y203-F207 HydrophobicContact CE2-CD1 3.48Å; Y203-F207 VanDerWaalsContact CE2-CD1 3.48Å; Y203-F207 HydrophobicContact CE2-CE1 4.26Å; Y203-F207 HydrophobicContact CE2-CG 4.22Å; Y203-F207 PolarHBondContact O-N 3.22Å; F207-G209 PolarHBondContact O-N 3.36Å; F207-P210 WeakPolarHBondContact O-CD 3.41Å; F207-F211 HydrophobicContact CD1-CB 4.17Å; F207-F211 HydrophobicContact CE1-CB 3.83Å; F207-F211 HydrophobicContact CE1-CD1 4.34Å; F207-F211 HydrophobicContact CE1-CD2 4.21Å; F207-F211 AromaticContact CE1-CG 3.85Å; F207-F211 HydrophobicContact CE1-CG 3.85Å; F207-F211 HydrophobicContact CZ-CB 4.06Å; F207-F211 AromaticContact CZ-CD2 3.98Å; F207-F211 HydrophobicContact CZ-CD2 3.98Å; F207-F211 HydrophobicContact CZ-CG 4.05Å; F207-F211 WeakPolarHBondContact O-CB 3.35Å; F207-F211 PolarHBondContact O-N 2.94Å; F207-L254 HydrophobicContact CE1-CD2 3.5Å; F207-L254 VanDerWaalsContact CE1-CD2 3.5Å; F207-L254 HydrophobicContact CZ-CD2 4.15Å
208E91.8Very high87.6Confident8 Ų847.2 Ų47.24%0.03724%0.235CC..Iπ-helixtrans-58.9-45.9-172.4-166-178.8-129.900112Y203 Q204 F211 L212 S258 K261Y203-E208 HydrophobicContact CD1-CB 4.44Å; Y203-E208 HydrophobicContact CE1-CB 4.02Å; Y203-E208 HydrophobicContact CE1-CG 4.35Å; Y203-E208 PolarHBondContact O-N 2.77Å; Q204-E208 WeakPolarHBondContact CG-OE2 3.32Å; E208-F211 PolarHBondContact O-N 3.42Å; E208-L212 HydrophobicContact CG-CD1 3.98Å; E208-L212 HydrophobicContact CG-CG 4.32Å; E208-L212 WeakPolarHBondContact O-CB 3.4Å; E208-L212 WeakPolarHBondContact O-CG 3.48Å; E208-L212 PolarHBondContact O-N 2.89Å; E208-S258 WeakPolarHBondContact OE1-CA 3.27Å; E208-S258 VanDerWaalsContact OE1-CB 3.32Å; E208-S258 WeakPolarHBondContact OE1-CB 3.48Å; E208-S258 PolarHBondContact OE1-OG 3.47Å; E208-K261 IonicContact OE1-NZ 3.73Å; E208-K261 PolarHBondContact OE1-NZ 2.89Å; E208-K261 IonicContact OE2-NZ 3.84Å; E208-K261 PolarHBondContact OE2-NZ 3.38Å
209G90.1Very high88.8Confident28 Ų2841.3 Ų41.329%0.28921%0.21SC..Hα-helixtrans-57.6-61.4177.800000113.2Q204 F207 F211 L212 I213Q204-G209 PolarHBondContact O-N 2.84Å; F207-G209 PolarHBondContact O-N 3.36Å; G209-F211 VanDerWaalsContact C-N 3.26Å; G209-F211 PolarHBondContact O-N 3.23Å; G209-L212 PolarHBondContact O-N 3.48Å; G209-I213 WeakPolarHBondContact O-CG1 3.5Å; G209-I213 PolarHBondContact O-N 2.97Å; G209-I213 VanDerWaalsContact O-N 3.1Å
210P91.4Very high89.8Confident44 Ų4443.6 Ų43.629%0.28621%0.214SC..Hα-helixtrans-57.9-36.7176.9-28.137000113.7I160 L164 I206 F207 I213 K214I160-P210 HydrophobicContact CG2-CB 4.24Å; L164-P210 HydrophobicContact CD1-CB 4.34Å; I206-P210 WeakPolarHBondContact O-CG 3.47Å; F207-P210 WeakPolarHBondContact O-CD 3.41Å; P210-I213 PolarHBondContact O-N 2.8Å; P210-K214 PolarHBondContact O-N 2.88Å
211F92.6Very high90.3Very high1 Ų147.9 Ų47.90%0.00423%0.233CC..Hα-helixtrans-63.3-46.6176.3171.2-105.1000112.2L164 I167 F207 E208 G209 I213 K214 T215 Y253 L254 V262L164-F211 HydrophobicContact CD2-CB 4.04Å; L164-F211 HydrophobicContact CD2-CD2 3.99Å; I167-F211 HydrophobicContact CD1-CD2 4.13Å; I167-F211 HydrophobicContact CD1-CE2 4.05Å; I167-F211 HydrophobicContact CG2-CE2 4.17Å; F207-F211 HydrophobicContact CD1-CB 4.17Å; F207-F211 HydrophobicContact CE1-CB 3.83Å; F207-F211 HydrophobicContact CE1-CD1 4.34Å; F207-F211 HydrophobicContact CE1-CD2 4.21Å; F207-F211 AromaticContact CE1-CG 3.85Å; F207-F211 HydrophobicContact CE1-CG 3.85Å; F207-F211 HydrophobicContact CZ-CB 4.06Å; F207-F211 AromaticContact CZ-CD2 3.98Å; F207-F211 HydrophobicContact CZ-CD2 3.98Å; F207-F211 HydrophobicContact CZ-CG 4.05Å; F207-F211 WeakPolarHBondContact O-CB 3.35Å; F207-F211 PolarHBondContact O-N 2.94Å; E208-F211 PolarHBondContact O-N 3.42Å; G209-F211 VanDerWaalsContact C-N 3.26Å; G209-F211 PolarHBondContact O-N 3.23Å; F211-I213 PolarHBondContact O-N 3.15Å; F211-K214 PolarHBondContact O-N 2.87Å; F211-T215 WeakPolarHBondContact CE2-OG1 3.33Å; F211-T215 WeakPolarHBondContact O-CB 3.47Å; F211-T215 PolarHBondContact O-N 2.94Å; F211-T215 PolarHBondContact O-OG1 3.49Å; F211-Y253 HydrophobicContact CE2-CE2 4.41Å; F211-Y253 HydrophobicContact CZ-CE2 4.5Å; F211-L254 HydrophobicContact CD1-CD1 4.38Å; F211-L254 HydrophobicContact CD1-CD2 4.31Å; F211-L254 HydrophobicContact CE1-CD1 3.46Å; F211-L254 VanDerWaalsContact CE1-CD1 3.46Å; F211-L254 HydrophobicContact CE1-CD2 4.04Å; F211-L254 HydrophobicContact CE1-CG 4.41Å; F211-L254 HydrophobicContact CZ-CD1 3.68Å; F211-L254 HydrophobicContact CZ-CD2 4.22Å; F211-L254 HydrophobicContact CZ-CG 4.49Å; F211-V262 HydrophobicContact CE1-CB 4.08Å; F211-V262 HydrophobicContact CE1-CG2 3.55Å; F211-V262 HydrophobicContact CZ-CG2 3.88Å
212L92.8Very high90.6Very high33 Ų3344.6 Ų44.617%0.17322%0.219CC..Hα-helixtrans-62.7-42.7177.2-71.1173.1000111.3E208 G209 T215 G216 K261 V262E208-L212 HydrophobicContact CG-CD1 3.98Å; E208-L212 HydrophobicContact CG-CG 4.32Å; E208-L212 WeakPolarHBondContact O-CB 3.4Å; E208-L212 WeakPolarHBondContact O-CG 3.48Å; E208-L212 PolarHBondContact O-N 2.89Å; G209-L212 PolarHBondContact O-N 3.48Å; L212-T215 PolarHBondContact O-N 2.92Å; L212-G216 PolarHBondContact O-N 3.12Å; L212-K261 HydrophobicContact CD1-CB 4.28Å; L212-K261 HydrophobicContact CD1-CD 4.47Å; L212-K261 HydrophobicContact CD2-CB 4.24Å; L212-V262 HydrophobicContact CD2-CB 3.82Å; L212-V262 HydrophobicContact CD2-CG2 4.19Å
213I92.2Very high91Very high107 Ų10744 Ų4455%0.54922%0.217SC..Hα-helixtrans-60.5-51.6177.4-65.5168.4000110.7G209 P210 F211 T215 G216 E217G209-I213 WeakPolarHBondContact O-CG1 3.5Å; G209-I213 PolarHBondContact O-N 2.97Å; G209-I213 VanDerWaalsContact O-N 3.1Å; P210-I213 PolarHBondContact O-N 2.8Å; F211-I213 PolarHBondContact O-N 3.15Å; I213-T215 VanDerWaalsContact C-N 3.3Å; I213-T215 PolarHBondContact O-N 3.38Å; I213-G216 PolarHBondContact O-N 3.2Å; I213-E217 WeakPolarHBondContact O-CG 3.32Å; I213-E217 PolarHBondContact O-N 3.32Å
214K91Very high91.1Very high104 Ų10446 Ų4645%0.45223%0.231SC..Hα-helixtrans-67.6-31.5-179.4-73.8-71.1166.2-156.60113.1L164 P210 F211 E217 Y218L164-K214 HydrophobicContact CD1-CG 4.17Å; L164-K214 HydrophobicContact CD2-CB 4.45Å; P210-K214 PolarHBondContact O-N 2.88Å; F211-K214 PolarHBondContact O-N 2.87Å; K214-E217 WeakPolarHBondContact CD-OE2 3.43Å; K214-E217 IonicContact NZ-OE1 3.29Å; K214-E217 IonicContact NZ-OE2 3.06Å; K214-E217 PolarHBondContact NZ-OE2 3.48Å; K214-Y218 WeakPolarHBondContact O-CB 3.44Å; K214-Y218 PolarHBondContact O-N 2.92Å
215T92.3Very high91.2Very high1 Ų146.1 Ų46.11%0.00623%0.234CC..Hα-helixtrans-66.9-44.8173-59.50000111.2R171 F211 L212 I213 Y218 Y219 V262R171-T215 PolarHBondContact NH2-OG1 3.27Å; F211-T215 WeakPolarHBondContact CE2-OG1 3.33Å; F211-T215 WeakPolarHBondContact O-CB 3.47Å; F211-T215 PolarHBondContact O-N 2.94Å; F211-T215 PolarHBondContact O-OG1 3.49Å; L212-T215 PolarHBondContact O-N 2.92Å; I213-T215 VanDerWaalsContact C-N 3.3Å; I213-T215 PolarHBondContact O-N 3.38Å; T215-Y218 PolarHBondContact O-N 3.36Å; T215-Y219 HydrophobicContact CG2-CD2 3.64Å; T215-Y219 HydrophobicContact CG2-CE2 3.78Å; T215-Y219 WeakPolarHBondContact O-CD2 3.17Å; T215-Y219 PolarHBondContact O-N 3.16Å; T215-V262 HydrophobicContact CG2-CG2 3.7Å
216G92.4Very high91.4Very high1 Ų140.7 Ų40.71%0.0121%0.208CC..Hα-helixtrans-61.4-44.5174.500000112.6L212 I213 Y219 K220L212-G216 PolarHBondContact O-N 3.12Å; I213-G216 PolarHBondContact O-N 3.2Å; G216-Y219 PolarHBondContact O-N 3.45Å; G216-K220 WeakPolarHBondContact O-CB 3.28Å; G216-K220 PolarHBondContact O-N 3.14Å
217E92.2Very high91.5Very high85 Ų8542 Ų4240%0.39722%0.215SC..Hα-helixtrans-60.2-46.5175.5-74.7178.6179.500112.4I213 K214 K220 Q221I213-E217 WeakPolarHBondContact O-CG 3.32Å; I213-E217 PolarHBondContact O-N 3.32Å; K214-E217 WeakPolarHBondContact CD-OE2 3.43Å; K214-E217 IonicContact NZ-OE1 3.29Å; K214-E217 IonicContact NZ-OE2 3.06Å; K214-E217 PolarHBondContact NZ-OE2 3.48Å; E217-K220 PolarHBondContact O-N 3.29Å; E217-Q221 WeakPolarHBondContact O-CG 3.32Å; E217-Q221 PolarHBondContact O-N 3.49Å; E217-Q221 VanDerWaalsContact O-N 3.1Å
218Y93Very high91.4Very high34 Ų3449.8 Ų49.813%0.13325%0.252CS..Hα-helixtrans-59.6-52177.9176.4-91.4000111.2R171 K214 T215 K220 Q221 E222R171-Y218 HydrophobicContact CB-CE1 4.11Å; R171-Y218 HydrophobicContact CB-CE2 4.2Å; R171-Y218 HydrophobicContact CG-CE1 4.33Å; K214-Y218 WeakPolarHBondContact O-CB 3.44Å; K214-Y218 PolarHBondContact O-N 2.92Å; T215-Y218 PolarHBondContact O-N 3.36Å; Y218-K220 VanDerWaalsContact C-N 3.31Å; Y218-K220 PolarHBondContact O-N 2.82Å; Y218-Q221 PolarHBondContact O-N 2.77Å; Y218-E222 HydrophobicContact CE1-CB 4.45Å; Y218-E222 WeakPolarHBondContact O-CB 3.27Å; Y218-E222 PolarHBondContact O-N 3.17Å
219Y93.7Very high91.3Very high1 Ų156.6 Ų56.60%0.00428%0.283CS..Hα-helixtrans-71.5-25.8-177.1-80.8-61.8000113.5T215 G216 A223 R242 E246 C266 M270T215-Y219 HydrophobicContact CG2-CD2 3.64Å; T215-Y219 HydrophobicContact CG2-CE2 3.78Å; T215-Y219 WeakPolarHBondContact O-CD2 3.17Å; T215-Y219 PolarHBondContact O-N 3.16Å; G216-Y219 PolarHBondContact O-N 3.45Å; Y219-A223 WeakPolarHBondContact O-CB 3.45Å; Y219-A223 PolarHBondContact O-N 2.96Å; Y219-R242 HydrophobicContact CE1-CB 4.15Å; Y219-E246 HydrophobicContact CE2-CB 4.42Å; Y219-E246 HydrophobicContact CE2-CG 3.95Å; Y219-E246 WeakPolarHBondContact OH-CB 3.3Å; Y219-E246 PolarHBondContact OH-OE2 2.88Å; Y219-E246 VanDerWaalsContact OH-OE2 3.06Å; Y219-C266 HydrophobicContact CD2-CB 4.2Å; Y219-C266 WeakPolarHBondContact CD2-SG 3.44Å; Y219-C266 WeakPolarHBondContact CE2-SG 3.49Å; Y219-M270 HydrophobicContact CD1-CE 3.82Å; Y219-M270 HydrophobicContact CD1-CG 4.11Å; Y219-M270 HydrophobicContact CD1-SD 3.3Å; Y219-M270 WeakPolarHBondContact CD1-SD 3.24Å; Y219-M270 HydrophobicContact CE1-CE 4.34Å; Y219-M270 HydrophobicContact CE1-SD 3.89Å; Y219-M270 HydrophobicContact CG-CG 4.26Å; Y219-M270 HydrophobicContact CG-SD 3.92Å
220K92.9Very high91.1Very high104 Ų10455.8 Ų55.845%0.45227%0.273SS..Hα-helixtrans-66.6-42170.5-175.9170.8-177.2168.60112G216 E217 Y218 S224 R269G216-K220 WeakPolarHBondContact O-CB 3.28Å; G216-K220 PolarHBondContact O-N 3.14Å; E217-K220 PolarHBondContact O-N 3.29Å; Y218-K220 VanDerWaalsContact C-N 3.31Å; Y218-K220 PolarHBondContact O-N 2.82Å; K220-S224 WeakPolarHBondContact O-CB 3.47Å; K220-S224 PolarHBondContact O-N 3.37Å; K220-S224 VanDerWaalsContact O-N 3.12Å; K220-S224 PolarHBondContact O-OG 3.28Å; K220-R269 HydrophobicContact CB-CB 4.45Å
221Q91.5Very high90.8Very high125 Ų12557.7 Ų57.758%0.58428%0.281SS*.Hα-helixtrans-67.9-47.4175.2-70.3173.9600111.1E217 Y218 A223 S224 N225E217-Q221 WeakPolarHBondContact O-CG 3.32Å; E217-Q221 PolarHBondContact O-N 3.49Å; E217-Q221 VanDerWaalsContact O-N 3.1Å; Y218-Q221 PolarHBondContact O-N 2.77Å; Q221-A223 PolarHBondContact O-N 2.71Å; Q221-S224 WeakPolarHBondContact O-CB 3.44Å; Q221-S224 PolarHBondContact O-N 3.3Å; Q221-S224 VanDerWaalsContact O-N 3.15Å; Q221-N225 VanDerWaalsContact O-CG 3.27Å; Q221-N225 PolarHBondContact O-N 2.78Å; Q221-N225 PolarHBondContact O-OD1 3.17Å
222E90.6Very high90.4Very high30 Ų3058.1 Ų58.114%0.1428%0.284CS..Hα-helixtrans-58.7-46.5176.8-177.475.1169.300111.2Y218 S224 N225 L226 R242Y218-E222 HydrophobicContact CE1-CB 4.45Å; Y218-E222 WeakPolarHBondContact O-CB 3.27Å; Y218-E222 PolarHBondContact O-N 3.17Å; E222-S224 VanDerWaalsContact C-N 3.29Å; E222-S224 PolarHBondContact O-N 2.84Å; E222-N225 PolarHBondContact O-N 3.05Å; E222-L226 HydrophobicContact CG-CD1 3.99Å; E222-L226 HydrophobicContact CG-CG 4.28Å; E222-L226 WeakPolarHBondContact O-CB 3.44Å; E222-L226 VanDerWaalsContact O-CG 3.24Å; E222-L226 WeakPolarHBondContact O-CG 3.42Å; E222-L226 PolarHBondContact O-N 3.03Å; E222-R242 IonicContact OE1-CZ 2.79Å; E222-R242 IonicContact OE1-NE 2.98Å; E222-R242 PolarHBondContact OE1-NE 3.06Å; E222-R242 IonicContact OE1-NH2 3.55Å; E222-R242 PolarHBondContact OE1-NH2 3.45Å
223A91.6Very high90.2Very high0 Ų057.7 Ų57.70%028%0.284CS..Hα-helixtrans-59.5-40.4176.500000112Y219 Q221 L227 Y235 M270Y219-A223 WeakPolarHBondContact O-CB 3.45Å; Y219-A223 PolarHBondContact O-N 2.96Å; Q221-A223 PolarHBondContact O-N 2.71Å; A223-L227 VanDerWaalsContact O-CB 3.26Å; A223-L227 WeakPolarHBondContact O-CB 3.4Å; A223-L227 PolarHBondContact O-N 3.4Å; A223-Y235 WeakPolarHBondContact O-CE2 3.33Å; A223-M270 HydrophobicContact CB-CB 4.34Å; A223-M270 HydrophobicContact CB-CG 4.23Å
224S90.2Very high90Very high42 Ų4256.8 Ų56.829%0.29428%0.278SS..Hα-helixtrans-65.3-41.5177-58.90000112.1K220 Q221 E222 L227 Q228K220-S224 WeakPolarHBondContact O-CB 3.47Å; K220-S224 PolarHBondContact O-N 3.37Å; K220-S224 VanDerWaalsContact O-N 3.12Å; K220-S224 PolarHBondContact O-OG 3.28Å; Q221-S224 WeakPolarHBondContact O-CB 3.44Å; Q221-S224 PolarHBondContact O-N 3.3Å; Q221-S224 VanDerWaalsContact O-N 3.15Å; E222-S224 VanDerWaalsContact C-N 3.29Å; E222-S224 PolarHBondContact O-N 2.84Å; S224-L227 PolarHBondContact O-N 3.19Å; S224-Q228 WeakPolarHBondContact O-CG 3.31Å; S224-Q228 PolarHBondContact O-N 2.79Å
225N90.6Very high90Very high76 Ų7651.9 Ų51.941%0.40626%0.256SS..Hα-helixtrans-66-47.8176.8-64.2-12.7000111Q221 E222 L227 Q228 E229Q221-N225 VanDerWaalsContact O-CG 3.27Å; Q221-N225 PolarHBondContact O-N 2.78Å; Q221-N225 PolarHBondContact O-OD1 3.17Å; E222-N225 PolarHBondContact O-N 3.05Å; N225-L227 PolarHBondContact O-N 3.35Å; N225-Q228 PolarHBondContact O-N 3.27Å; N225-Q228 VanDerWaalsContact O-N 3.1Å; N225-E229 WeakPolarHBondContact O-CG 3.3Å; N225-E229 PolarHBondContact O-N 3.15Å
226L90.6Very high89.9Confident8 Ų851.9 Ų51.94%0.04226%0.256CS..Hα-helixtrans-60.2-36.5178.7-70.7-180000112.1E222 Q228 S230 Y235 K238 M270E222-L226 HydrophobicContact CG-CD1 3.99Å; E222-L226 HydrophobicContact CG-CG 4.28Å; E222-L226 WeakPolarHBondContact O-CB 3.44Å; E222-L226 VanDerWaalsContact O-CG 3.24Å; E222-L226 WeakPolarHBondContact O-CG 3.42Å; E222-L226 PolarHBondContact O-N 3.03Å; L226-Q228 VanDerWaalsContact C-N 3.34Å; L226-S230 WeakPolarHBondContact O-CB 3.39Å; L226-S230 PolarHBondContact O-N 3.4Å; L226-S230 PolarHBondContact O-OG 3.39Å; L226-Y235 HydrophobicContact CB-CD2 3.71Å; L226-Y235 HydrophobicContact CB-CE2 3.9Å; L226-K238 HydrophobicContact CD1-CB 4.15Å; L226-K238 HydrophobicContact CD2-CB 4.44Å; L226-K238 HydrophobicContact CD2-CD 3.58Å; L226-M270 HydrophobicContact CD1-CE 4.34Å
227L88.8Confident89.8Confident50 Ų5056.9 Ų56.926%0.26228%0.279SS..Hα-helixtrans-67.7-32.8177.5-173.766.1000112.7A223 S224 N225 Y235 F277A223-L227 VanDerWaalsContact O-CB 3.26Å; A223-L227 WeakPolarHBondContact O-CB 3.4Å; A223-L227 PolarHBondContact O-N 3.4Å; S224-L227 PolarHBondContact O-N 3.19Å; N225-L227 PolarHBondContact O-N 3.35Å; L227-Y235 HydrophobicContact CB-CD2 4.45Å; L227-Y235 HydrophobicContact CB-CE2 4.18Å; L227-F277 HydrophobicContact CD1-CD1 3.4Å; L227-F277 HydrophobicContact CD1-CD2 4Å; L227-F277 HydrophobicContact CD1-CE1 3.31Å; L227-F277 HydrophobicContact CD1-CE2 3.94Å; L227-F277 HydrophobicContact CD1-CG 3.74Å; L227-F277 HydrophobicContact CD1-CZ 3.59Å
228Q88.1Confident89.8Confident164 Ų16456.9 Ų56.977%0.76628%0.278SS*.Hα-helixtrans-77.7-34.8177.6-70.2177.51100112.5S224 N225 L226S224-Q228 WeakPolarHBondContact O-CG 3.31Å; S224-Q228 PolarHBondContact O-N 2.79Å; N225-Q228 PolarHBondContact O-N 3.27Å; N225-Q228 VanDerWaalsContact O-N 3.1Å; L226-Q228 VanDerWaalsContact C-N 3.34Å
229E88.5Confident89.7Confident150 Ų15055.2 Ų55.270%0.70127%0.271SS*.Hα-helixtrans-95.9-19.5-171.3-65.6176.9-179.900114.2N225N225-E229 WeakPolarHBondContact O-CG 3.3Å; N225-E229 PolarHBondContact O-N 3.15Å
230S85.4Confident89.6Confident11 Ų1156.6 Ų56.68%0.07728%0.278CS..SBendtrans-123.6151.3-170.3-46.60000111.8L226 K238L226-S230 WeakPolarHBondContact O-CB 3.39Å; L226-S230 PolarHBondContact O-N 3.4Å; L226-S230 PolarHBondContact O-OG 3.39Å; S230-K238 PolarHBondContact OG-NZ 3.02Å
231N86.1Confident89.6Confident84 Ų8453 Ų5345%0.44927%0.271SS..  trans-73.1166.5168.268.217.8000110.9S233 Q234 Y235N231-S233 VanDerWaalsContact C-N 3.29Å; N231-S233 PolarHBondContact O-N 2.63Å; N231-S233 PolarHBondContact OD1-N 2.99Å; N231-Q234 PolarHBondContact O-N 3.49Å; N231-Q234 WeakPolarHBondContact OD1-CB 3.46Å; N231-Q234 WeakPolarHBondContact OD1-CG 3.19Å; N231-Q234 PolarHBondContact OD1-N 3.31Å; N231-Y235 VanDerWaalsContact O-CB 3.3Å; N231-Y235 WeakPolarHBondContact O-CB 3.25Å; N231-Y235 PolarHBondContact O-N 2.96Å
232C85.1Confident89.6Confident11 Ų1151.2 Ų51.27%0.07426%0.259CS..Hα-helixtrans-57.2-39.8-176.1-171.80000113.3Y235 M236 F277 E281C232-Y235 WeakPolarHBondContact O-CB 3.42Å; C232-Y235 PolarHBondContact O-N 3.34Å; C232-M236 VanDerWaalsContact O-CG 3.31Å; C232-M236 WeakPolarHBondContact O-CG 3.39Å; C232-M236 PolarHBondContact O-N 3.19Å; C232-F277 HydrophobicContact CB-CE1 3.76Å; C232-F277 HydrophobicContact CB-CZ 3.71Å; C232-E281 HydrophobicContact CB-CB 4.07Å; C232-E281 HydrophobicContact CB-CG 3.78Å
233S86.8Confident89.6Confident23 Ų2350.5 Ų50.516%0.16126%0.256CS..Hα-helixtrans-59.6-54177.1-52.80000111.7N231 Y235 M236 E237 D293N231-S233 VanDerWaalsContact C-N 3.29Å; N231-S233 PolarHBondContact O-N 2.63Å; N231-S233 PolarHBondContact OD1-N 2.99Å; S233-Y235 VanDerWaalsContact C-N 3.31Å; S233-Y235 PolarHBondContact O-N 2.95Å; S233-M236 PolarHBondContact O-N 3.47Å; S233-E237 PolarHBondContact O-N 3.09Å; S233-E237 VanDerWaalsContact O-N 3.12Å; S233-D293 WeakPolarHBondContact CB-OD1 3.43Å; S233-D293 PolarHBondContact OG-OD1 3.19Å; S233-D293 VanDerWaalsContact OG-OD1 3.14Å; S233-D293 PolarHBondContact OG-OD2 3.48Å
234Q88.6Confident89.6Confident89 Ų8957.1 Ų57.142%0.41628%0.284SS..Hα-helixtrans-65.5-35.2178.4-71.1171.5-2.700112.1N231 E237 K238N231-Q234 PolarHBondContact O-N 3.49Å; N231-Q234 WeakPolarHBondContact OD1-CB 3.46Å; N231-Q234 WeakPolarHBondContact OD1-CG 3.19Å; N231-Q234 PolarHBondContact OD1-N 3.31Å; Q234-E237 PolarHBondContact O-N 3.16Å; Q234-K238 WeakPolarHBondContact O-CB 3.16Å; Q234-K238 VanDerWaalsContact O-CG 3.26Å; Q234-K238 WeakPolarHBondContact O-CG 3.38Å; Q234-K238 PolarHBondContact O-N 3.36Å
235Y91.3Very high89.6Confident1 Ų158.8 Ų58.80%0.00429%0.29CS..Hα-helixtrans-57.8-51.2173.9176.1-98.8000110.6A223 L226 L227 N231 C232 S233 E237 K238 V239 M270 H274 L278A223-Y235 WeakPolarHBondContact O-CE2 3.33Å; L226-Y235 HydrophobicContact CB-CD2 3.71Å; L226-Y235 HydrophobicContact CB-CE2 3.9Å; L227-Y235 HydrophobicContact CB-CD2 4.45Å; L227-Y235 HydrophobicContact CB-CE2 4.18Å; N231-Y235 VanDerWaalsContact O-CB 3.3Å; N231-Y235 WeakPolarHBondContact O-CB 3.25Å; N231-Y235 PolarHBondContact O-N 2.96Å; C232-Y235 WeakPolarHBondContact O-CB 3.42Å; C232-Y235 PolarHBondContact O-N 3.34Å; S233-Y235 VanDerWaalsContact C-N 3.31Å; S233-Y235 PolarHBondContact O-N 2.95Å; Y235-E237 PolarHBondContact O-N 2.88Å; Y235-K238 PolarHBondContact O-N 3.5Å; Y235-V239 HydrophobicContact CD1-CG2 4.07Å; Y235-V239 HydrophobicContact CD2-CG2 4.25Å; Y235-V239 HydrophobicContact CE1-CG2 3.79Å; Y235-V239 HydrophobicContact CE2-CG2 3.98Å; Y235-V239 HydrophobicContact CG-CG2 4.3Å; Y235-V239 WeakPolarHBondContact O-CB 3.42Å; Y235-V239 WeakPolarHBondContact O-CG2 3.33Å; Y235-V239 PolarHBondContact O-N 3.46Å; Y235-M270 PolarHBondContact OH-O 2.96Å; Y235-H274 PolarHBondContact OH-CD2 2.69Å; Y235-H274 VanDerWaalsContact OH-CD2 3.31Å; Y235-L278 HydrophobicContact CD1-CD2 4.27Å; Y235-L278 HydrophobicContact CE1-CD2 4.37Å
236M89.8Confident89.7Confident0 Ų055.1 Ų55.10%027%0.271CS..Hα-helixtrans-61.1-43.9179.2-69-175-66.600112.5C232 S233 V239 L240 L278 I285 D293 N296 T297 L300C232-M236 VanDerWaalsContact O-CG 3.31Å; C232-M236 WeakPolarHBondContact O-CG 3.39Å; C232-M236 PolarHBondContact O-N 3.19Å; S233-M236 PolarHBondContact O-N 3.47Å; M236-V239 PolarHBondContact O-N 3.48Å; M236-L240 WeakPolarHBondContact O-CB 3.49Å; M236-L240 WeakPolarHBondContact O-CG 3.47Å; M236-L240 PolarHBondContact O-N 2.9Å; M236-L278 HydrophobicContact CG-CD2 3.96Å; M236-L278 HydrophobicContact SD-CD2 4.24Å; M236-I285 HydrophobicContact CE-CD1 4.01Å; M236-D293 HydrophobicContact CE-CB 4.16Å; M236-N296 HydrophobicContact CB-CB 4.18Å; M236-N296 HydrophobicContact SD-CB 4.41Å; M236-T297 PolarHBondContact SD-OG1 3.44Å; M236-L300 HydrophobicContact CB-CD1 3.66Å; M236-L300 HydrophobicContact CG-CD1 3.63Å; M236-L300 HydrophobicContact SD-CD1 4.32Å
237E91.1Very high89.6Confident107 Ų10758.6 Ų58.650%0.529%0.287SS..Hα-helixtrans-62.3-46.5177.4-72.2-178.8170.400112.2S233 Q234 Y235 L240 G241S233-E237 PolarHBondContact O-N 3.09Å; S233-E237 VanDerWaalsContact O-N 3.12Å; Q234-E237 PolarHBondContact O-N 3.16Å; Y235-E237 PolarHBondContact O-N 2.88Å; E237-L240 PolarHBondContact O-N 2.8Å; E237-G241 PolarHBondContact O-N 2.8Å
238K90.9Very high89.7Confident84 Ų8460 Ų6037%0.36530%0.297SS..Hα-helixtrans-63.7-42.7177.4-72.4179.3-1761760111.1L226 S230 Q234 Y235 G241 R242L226-K238 HydrophobicContact CD1-CB 4.15Å; L226-K238 HydrophobicContact CD2-CB 4.44Å; L226-K238 HydrophobicContact CD2-CD 3.58Å; S230-K238 PolarHBondContact OG-NZ 3.02Å; Q234-K238 WeakPolarHBondContact O-CB 3.16Å; Q234-K238 VanDerWaalsContact O-CG 3.26Å; Q234-K238 WeakPolarHBondContact O-CG 3.38Å; Q234-K238 PolarHBondContact O-N 3.36Å; Y235-K238 PolarHBondContact O-N 3.5Å; K238-G241 PolarHBondContact O-N 2.95Å; K238-R242 WeakPolarHBondContact O-CB 3.05Å; K238-R242 WeakPolarHBondContact O-CG 3.3Å; K238-R242 PolarHBondContact O-N 3.29Å
239V91.9Very high89.8Confident0 Ų053.5 Ų53.50%027%0.266CS..Hα-helixtrans-60-47.7175.6172.20000110.5Y235 M236 G241 R242 L243 M270 V271 L300Y235-V239 HydrophobicContact CD1-CG2 4.07Å; Y235-V239 HydrophobicContact CD2-CG2 4.25Å; Y235-V239 HydrophobicContact CE1-CG2 3.79Å; Y235-V239 HydrophobicContact CE2-CG2 3.98Å; Y235-V239 HydrophobicContact CG-CG2 4.3Å; Y235-V239 WeakPolarHBondContact O-CB 3.42Å; Y235-V239 WeakPolarHBondContact O-CG2 3.33Å; Y235-V239 PolarHBondContact O-N 3.46Å; M236-V239 PolarHBondContact O-N 3.48Å; V239-G241 VanDerWaalsContact C-N 3.33Å; V239-G241 PolarHBondContact O-N 2.85Å; V239-R242 PolarHBondContact O-N 2.91Å; V239-L243 HydrophobicContact CG1-CD1 4.08Å; V239-L243 HydrophobicContact CG1-CG 4.37Å; V239-L243 WeakPolarHBondContact O-CG 3.47Å; V239-L243 PolarHBondContact O-N 2.86Å; V239-M270 HydrophobicContact CB-CE 4.31Å; V239-M270 HydrophobicContact CG1-CB 3.93Å; V239-M270 HydrophobicContact CG1-CE 4.24Å; V239-M270 HydrophobicContact CG1-SD 4.25Å; V239-M270 HydrophobicContact CG2-CB 4.49Å; V239-M270 HydrophobicContact CG2-CE 3.92Å; V239-V271 HydrophobicContact CG1-CG2 4.09Å; V239-L300 HydrophobicContact CG1-CD2 4.03Å
240L91.6Very high89.8Confident29 Ų2946.4 Ų46.415%0.15223%0.233CC..Hα-helixtrans-60.7-40.9176.9-76.3170000112.3M236 E237 K244 N296 T299 L300M236-L240 WeakPolarHBondContact O-CB 3.49Å; M236-L240 WeakPolarHBondContact O-CG 3.47Å; M236-L240 PolarHBondContact O-N 2.9Å; E237-L240 PolarHBondContact O-N 2.8Å; L240-K244 WeakPolarHBondContact O-CG 3.23Å; L240-K244 PolarHBondContact O-N 2.87Å; L240-K244 VanDerWaalsContact O-N 3.15Å; L240-N296 HydrophobicContact CD1-CB 3.92Å; L240-N296 WeakPolarHBondContact CD1-OD1 3.42Å; L240-T299 HydrophobicContact CD2-CG2 4.05Å; L240-L300 HydrophobicContact CD1-CG 4.46Å; L240-L300 HydrophobicContact CD2-CD2 3.49Å; L240-L300 VanDerWaalsContact CD2-CD2 3.49Å; L240-L300 HydrophobicContact CD2-CG 3.94Å; L240-L300 HydrophobicContact CG-CD1 4.32Å; L240-L300 HydrophobicContact CG-CD2 3.8Å; L240-L300 HydrophobicContact CG-CG 4.04Å
241G92.1Very high89.9Confident28 Ų2853.4 Ų53.429%0.28926%0.257SS..Hα-helixtrans-60-50.117300000111.9E237 K238 V239 L243 K244 D245E237-G241 PolarHBondContact O-N 2.8Å; K238-G241 PolarHBondContact O-N 2.95Å; V239-G241 VanDerWaalsContact C-N 3.33Å; V239-G241 PolarHBondContact O-N 2.85Å; G241-L243 VanDerWaalsContact C-N 3.33Å; G241-L243 PolarHBondContact O-N 2.93Å; G241-K244 WeakPolarHBondContact O-CB 3.42Å; G241-K244 PolarHBondContact O-N 3.16Å; G241-K244 VanDerWaalsContact O-N 3.13Å; G241-D245 VanDerWaalsContact O-CG 3.27Å; G241-D245 PolarHBondContact O-N 3.1Å
242R91.3Very high90Very high88 Ų8853.4 Ų53.433%0.33225%0.253SS..Hα-helixtrans-61.1-38.3179.1-70.1-71.1-174.3-104.1-0.4113Y219 E222 K238 V239 D245 E246 M270Y219-R242 HydrophobicContact CE1-CB 4.15Å; E222-R242 IonicContact OE1-CZ 2.79Å; E222-R242 IonicContact OE1-NE 2.98Å; E222-R242 PolarHBondContact OE1-NE 3.06Å; E222-R242 IonicContact OE1-NH2 3.55Å; E222-R242 PolarHBondContact OE1-NH2 3.45Å; K238-R242 WeakPolarHBondContact O-CB 3.05Å; K238-R242 WeakPolarHBondContact O-CG 3.3Å; K238-R242 PolarHBondContact O-N 3.29Å; V239-R242 PolarHBondContact O-N 2.91Å; R242-D245 IonicContact NH1-OD2 3.72Å; R242-D245 PolarHBondContact O-N 3.22Å; R242-E246 WeakPolarHBondContact O-CB 3.44Å; R242-E246 PolarHBondContact O-N 2.87Å; R242-M270 HydrophobicContact CB-CE 4.09Å; R242-M270 HydrophobicContact CB-SD 4.49Å; R242-M270 HydrophobicContact CG-CE 4.37Å
243L91.5Very high89.9Confident16 Ų1652.9 Ų52.98%0.08425%0.25CC..Hα-helixtrans-64.9-40.8175.3-71.5174.7000111.6V239 G241 E246 E247 C266 Q267 M270 L300V239-L243 HydrophobicContact CG1-CD1 4.08Å; V239-L243 HydrophobicContact CG1-CG 4.37Å; V239-L243 WeakPolarHBondContact O-CG 3.47Å; V239-L243 PolarHBondContact O-N 2.86Å; G241-L243 VanDerWaalsContact C-N 3.33Å; G241-L243 PolarHBondContact O-N 2.93Å; L243-E246 PolarHBondContact O-N 3.31Å; L243-E247 WeakPolarHBondContact O-CB 3.45Å; L243-E247 PolarHBondContact O-N 3.36Å; L243-C266 HydrophobicContact CD2-CB 3.49Å; L243-C266 VanDerWaalsContact CD2-CB 3.49Å; L243-Q267 HydrophobicContact CD1-CG 4.03Å; L243-Q267 HydrophobicContact CD2-CG 4.04Å; L243-M270 HydrophobicContact CD2-SD 4.5Å; L243-L300 HydrophobicContact CD1-CD2 4.12Å
244K91.1Very high90Very high138 Ų13851.9 Ų51.960%0.624%0.243SC*.Hα-helixtrans-65.9-43.9174.7-71.9174.5-179.3176.40111.8L240 G241 E246 E247 V248L240-K244 WeakPolarHBondContact O-CG 3.23Å; L240-K244 PolarHBondContact O-N 2.87Å; L240-K244 VanDerWaalsContact O-N 3.15Å; G241-K244 WeakPolarHBondContact O-CB 3.42Å; G241-K244 PolarHBondContact O-N 3.16Å; G241-K244 VanDerWaalsContact O-N 3.13Å; K244-E246 VanDerWaalsContact C-N 3.3Å; K244-E246 PolarHBondContact O-N 3.01Å; K244-E247 PolarHBondContact O-N 3.37Å; K244-V248 WeakPolarHBondContact O-CG2 3.4Å; K244-V248 PolarHBondContact O-N 3.02Å
245D90.8Very high89.9Confident77 Ų7750 Ų5041%0.41223%0.234SC..Hα-helixtrans-59.3-44.4177.1-66.4-23.4000110.7G241 R242 V248 R249G241-D245 VanDerWaalsContact O-CG 3.27Å; G241-D245 PolarHBondContact O-N 3.1Å; R242-D245 IonicContact NH1-OD2 3.72Å; R242-D245 PolarHBondContact O-N 3.22Å; D245-V248 PolarHBondContact O-N 3.29Å; D245-R249 VanDerWaalsContact O-CB 3.22Å; D245-R249 WeakPolarHBondContact O-CB 3.47Å; D245-R249 PolarHBondContact O-N 2.82Å
246E91.9Very high89.8Confident0 Ų053.8 Ų53.80%026%0.259CS..Hα-helixtrans-66.7-38.8177.1-165.160.6-172.500111.9R171 Y219 R242 L243 K244 V248 R249 C250 I263R171-E246 IonicContact CZ-OE1 2.66Å; R171-E246 IonicContact CZ-OE2 3.95Å; R171-E246 IonicContact NE-OE1 3.34Å; R171-E246 IonicContact NE-OE2 3.79Å; R171-E246 PolarHBondContact NE-OE2 3.21Å; R171-E246 IonicContact NH2-OE1 2.63Å; R171-E246 PolarHBondContact NH2-OE1 2.94Å; R171-E246 IonicContact NH2-OE2 3Å; Y219-E246 HydrophobicContact CE2-CB 4.42Å; Y219-E246 HydrophobicContact CE2-CG 3.95Å; Y219-E246 WeakPolarHBondContact OH-CB 3.3Å; Y219-E246 PolarHBondContact OH-OE2 2.88Å; Y219-E246 VanDerWaalsContact OH-OE2 3.06Å; R242-E246 WeakPolarHBondContact O-CB 3.44Å; R242-E246 PolarHBondContact O-N 2.87Å; L243-E246 PolarHBondContact O-N 3.31Å; K244-E246 VanDerWaalsContact C-N 3.3Å; K244-E246 PolarHBondContact O-N 3.01Å; E246-V248 PolarHBondContact O-N 3.45Å; E246-R249 WeakPolarHBondContact O-CB 3.36Å; E246-R249 PolarHBondContact O-N 2.66Å; E246-R249 IonicContact OE2-CZ 3.99Å; E246-R249 IonicContact OE2-NH1 2.74Å; E246-R249 PolarHBondContact OE2-NH1 3.29Å; E246-C250 WeakPolarHBondContact O-CB 3.4Å; E246-C250 PolarHBondContact O-N 3.46Å; E246-C250 PolarHBondContact O-SG 3.12Å; E246-I263 HydrophobicContact CB-CD1 4.49Å
247E89.9Confident89.7Confident80 Ų8055.6 Ų55.637%0.37427%0.271SS..Hα-helixtrans-60.9-46175.4-170.6-177.418000111.7L243 K244 R249 C250 R251 I263L243-E247 WeakPolarHBondContact O-CB 3.45Å; L243-E247 PolarHBondContact O-N 3.36Å; K244-E247 PolarHBondContact O-N 3.37Å; E247-R249 VanDerWaalsContact C-N 3.32Å; E247-R249 PolarHBondContact O-N 3.44Å; E247-C250 PolarHBondContact O-N 2.87Å; E247-R251 WeakPolarHBondContact O-CG 3.38Å; E247-R251 PolarHBondContact O-N 2.88Å; E247-R251 VanDerWaalsContact O-N 3.16Å; E247-R251 IonicContact OE1-CZ 3.7Å; E247-R251 IonicContact OE1-NE 3.63Å; E247-R251 IonicContact OE1-NH2 3.36Å; E247-R251 PolarHBondContact OE1-NH2 2.64Å; E247-I263 HydrophobicContact CB-CD1 3.83Å; E247-I263 HydrophobicContact CG-CD1 4.42Å
248V90.4Very high89.7Confident81 Ų8150.5 Ų50.549%0.49125%0.247SC..Hα-helixtrans-61.6-43.8175.2171.60000110.3K244 D245 E246 R251 K252K244-V248 WeakPolarHBondContact O-CG2 3.4Å; K244-V248 PolarHBondContact O-N 3.02Å; D245-V248 PolarHBondContact O-N 3.29Å; E246-V248 PolarHBondContact O-N 3.45Å; V248-R251 PolarHBondContact O-N 2.9Å; V248-K252 WeakPolarHBondContact O-CG 3.34Å; V248-K252 PolarHBondContact O-N 3.49Å
249R89.1Confident89.6Confident26 Ų2649.5 Ų49.510%0.09824%0.242CC..Hα-helixtrans-62.2-43.6178.9-174-178.1-70.2106.63.4112.1D170 D245 E246 E247 R251 K252 Y253D170-R249 PolarHBondContact O-NH2 3.19Å; D170-R249 VanDerWaalsContact OD2-CD 3.25Å; D170-R249 WeakPolarHBondContact OD2-CD 3.34Å; D170-R249 WeakPolarHBondContact OD2-CG 3.32Å; D170-R249 IonicContact OD2-CZ 3.34Å; D170-R249 IonicContact OD2-NE 3.78Å; D170-R249 PolarHBondContact OD2-NE 2.9Å; D170-R249 IonicContact OD2-NH2 2.82Å; D245-R249 VanDerWaalsContact O-CB 3.22Å; D245-R249 WeakPolarHBondContact O-CB 3.47Å; D245-R249 PolarHBondContact O-N 2.82Å; E246-R249 WeakPolarHBondContact O-CB 3.36Å; E246-R249 PolarHBondContact O-N 2.66Å; E246-R249 IonicContact OE2-CZ 3.99Å; E246-R249 IonicContact OE2-NH1 2.74Å; E246-R249 PolarHBondContact OE2-NH1 3.29Å; E247-R249 VanDerWaalsContact C-N 3.32Å; E247-R249 PolarHBondContact O-N 3.44Å; R249-R251 VanDerWaalsContact C-N 3.3Å; R249-R251 PolarHBondContact O-N 3.26Å; R249-K252 WeakPolarHBondContact O-CB 3.19Å; R249-K252 PolarHBondContact O-N 2.94Å; R249-Y253 HydrophobicContact CB-CE1 4.48Å; R249-Y253 WeakPolarHBondContact CD-OH 3.39Å; R249-Y253 HydrophobicContact CG-CD1 4.23Å; R249-Y253 HydrophobicContact CG-CE1 3.19Å; R249-Y253 WeakPolarHBondContact CG-OH 3.45Å; R249-Y253 PolarHBondContact O-N 3.28Å
250C89.2Confident89.5Confident1 Ų153.2 Ų53.21%0.00727%0.272CS..Hα-helixtrans-59.5-41.8176.7-69.70000111.8E246 E247 K252 L254 Y259 V262E246-C250 WeakPolarHBondContact O-CB 3.4Å; E246-C250 PolarHBondContact O-N 3.46Å; E246-C250 PolarHBondContact O-SG 3.12Å; E247-C250 PolarHBondContact O-N 2.87Å; C250-K252 PolarHBondContact O-N 3.01Å; C250-L254 HydrophobicContact CB-CD1 3.76Å; C250-L254 VanDerWaalsContact O-CB 3.3Å; C250-L254 WeakPolarHBondContact O-CB 3.36Å; C250-L254 PolarHBondContact O-N 2.73Å; C250-L254 VanDerWaalsContact SG-CD1 3.5Å; C250-Y259 HydrophobicContact CB-CD1 4.02Å; C250-Y259 VanDerWaalsContact O-CE1 3.27Å; C250-Y259 WeakPolarHBondContact O-CE1 3.42Å; C250-V262 HydrophobicContact CB-CG1 4.3Å; C250-V262 WeakPolarHBondContact SG-CG1 3.16Å
251R88.3Confident89.5Confident158 Ų15856 Ų5660%0.59628%0.283SS*.Hα-helixtrans-67.8-19.2176.8-66.7173-175.2-153.64.6113.7E247 V248 R249 Y259E247-R251 WeakPolarHBondContact O-CG 3.38Å; E247-R251 PolarHBondContact O-N 2.88Å; E247-R251 VanDerWaalsContact O-N 3.16Å; E247-R251 IonicContact OE1-CZ 3.7Å; E247-R251 IonicContact OE1-NE 3.63Å; E247-R251 IonicContact OE1-NH2 3.36Å; E247-R251 PolarHBondContact OE1-NH2 2.64Å; V248-R251 PolarHBondContact O-N 2.9Å; R249-R251 VanDerWaalsContact C-N 3.3Å; R249-R251 PolarHBondContact O-N 3.26Å; R251-Y259 HydrophobicContact CG-CE2 4.19Å
252K87.3Confident89.5Confident84 Ų8454.6 Ų54.637%0.36527%0.269SS..Hα-helixtrans-78.1-40.1178.8-71.3171.9177.51770113V248 R249 C250V248-K252 WeakPolarHBondContact O-CG 3.34Å; V248-K252 PolarHBondContact O-N 3.49Å; R249-K252 WeakPolarHBondContact O-CB 3.19Å; R249-K252 PolarHBondContact O-N 2.94Å; C250-K252 PolarHBondContact O-N 3.01Å
253Y83.9Confident89.5Confident0 Ų051.9 Ų51.90%026%0.261CS..Hα-helixtrans-130.8-17.4-171.659.2-113.2000116.6I167 I181 H182 I185 F211 R249I167-Y253 HydrophobicContact CD1-CD2 4.33Å; I167-Y253 HydrophobicContact CD1-CE2 3.68Å; I167-Y253 HydrophobicContact CG1-CE1 4.1Å; I167-Y253 HydrophobicContact CG1-CE2 4.09Å; I167-Y253 WeakPolarHBondContact CG2-OH 3.38Å; I181-Y253 HydrophobicContact CG2-CD1 4.19Å; I181-Y253 HydrophobicContact CG2-CD2 4.21Å; I181-Y253 HydrophobicContact CG2-CG 3.84Å; H182-Y253 PolarHBondContact ND1-O 3Å; I185-Y253 HydrophobicContact CD1-CD2 3.77Å; I185-Y253 HydrophobicContact CD1-CG 4.4Å; F211-Y253 HydrophobicContact CE2-CE2 4.41Å; F211-Y253 HydrophobicContact CZ-CE2 4.5Å; R249-Y253 HydrophobicContact CB-CE1 4.48Å; R249-Y253 WeakPolarHBondContact CD-OH 3.39Å; R249-Y253 HydrophobicContact CG-CD1 4.23Å; R249-Y253 HydrophobicContact CG-CE1 3.19Å; R249-Y253 WeakPolarHBondContact CG-OH 3.45Å; R249-Y253 PolarHBondContact O-N 3.28Å
254L87.3Confident89.5Confident2 Ų255.6 Ų55.61%0.0128%0.277CS..SBendtrans-90.3164.9-176.6-59.9175.6000113I185 F207 F211 C250 Y259 V262I185-L254 HydrophobicContact CD1-CD2 4.33Å; F207-L254 HydrophobicContact CE1-CD2 3.5Å; F207-L254 VanDerWaalsContact CE1-CD2 3.5Å; F207-L254 HydrophobicContact CZ-CD2 4.15Å; F211-L254 HydrophobicContact CD1-CD1 4.38Å; F211-L254 HydrophobicContact CD1-CD2 4.31Å; F211-L254 HydrophobicContact CE1-CD1 3.46Å; F211-L254 VanDerWaalsContact CE1-CD1 3.46Å; F211-L254 HydrophobicContact CE1-CD2 4.04Å; F211-L254 HydrophobicContact CE1-CG 4.41Å; F211-L254 HydrophobicContact CZ-CD1 3.68Å; F211-L254 HydrophobicContact CZ-CD2 4.22Å; F211-L254 HydrophobicContact CZ-CG 4.49Å; C250-L254 HydrophobicContact CB-CD1 3.76Å; C250-L254 VanDerWaalsContact O-CB 3.3Å; C250-L254 WeakPolarHBondContact O-CB 3.36Å; C250-L254 PolarHBondContact O-N 2.73Å; C250-L254 VanDerWaalsContact SG-CD1 3.5Å; L254-Y259 HydrophobicContact CB-CD1 4.21Å; L254-Y259 HydrophobicContact CB-CE1 3.87Å; L254-Y259 WeakPolarHBondContact O-CE1 3.36Å; L254-Y259 PolarHBondContact O-OH 2.82Å; L254-Y259 VanDerWaalsContact O-OH 3.14Å; L254-V262 HydrophobicContact CD1-CG1 4.45Å
255H88.4Confident89.5Confident51 Ų5151 Ų5124%0.23626%0.258CS..  trans-77.5144.3168-174.7-95.1000111.3V189 Y203 S257 S258 Y259V189-H255 HydrophobicContact CG2-CB 4.46Å; Y203-H255 HydrophobicContact CE1-CB 4.05Å; H255-S257 WeakPolarHBondContact ND1-CB 3.39Å; H255-S257 PolarHBondContact ND1-N 2.8Å; H255-S257 PolarHBondContact ND1-OG 3.03Å; H255-S257 PolarHBondContact O-N 3.32Å; H255-S258 WeakPolarHBondContact O-CB 3.25Å; H255-S258 PolarHBondContact O-N 2.87Å; H255-Y259 VanDerWaalsContact C-CE1 3.5Å; H255-Y259 WeakPolarHBondContact O-CD1 3.33Å; H255-Y259 WeakPolarHBondContact O-CE1 3.46Å
256P88.6Confident89.5Confident80 Ų8047.3 Ų47.352%0.51924%0.239SC..Hα-helixtrans-54.4-26.5-178-29.235.2000116.9S258 Y259P256-S258 PolarHBondContact O-N 3.38Å; P256-Y259 VanDerWaalsContact CA-CE2 3.44Å; P256-Y259 VanDerWaalsContact CA-CZ 3.45Å; P256-Y259 HydrophobicContact CB-CD2 4.16Å; P256-Y259 HydrophobicContact CB-CE2 3.77Å; P256-Y259 HydrophobicContact CG-CE2 3.94Å; P256-Y259 PolarHBondContact O-N 3.46Å
257S88.2Confident89.4Confident37 Ų3749.3 Ų49.326%0.25925%0.248SC..Hα-helixtrans-63.7-23.5175.762.40000113.8H255H255-S257 WeakPolarHBondContact ND1-CB 3.39Å; H255-S257 PolarHBondContact ND1-N 2.8Å; H255-S257 PolarHBondContact ND1-OG 3.03Å; H255-S257 PolarHBondContact O-N 3.32Å
258S89.2Confident89.4Confident0 Ų047.9 Ų47.90%024%0.241CC..Hα-helixtrans-90.5-19.2-176.4-55.60000113.1Y203 E208 H255 P256 A260 K261 V262Y203-S258 VanDerWaalsContact CE1-OG 3.25Å; Y203-S258 WeakPolarHBondContact CE1-OG 3.43Å; Y203-S258 PolarHBondContact OH-OG 3.28Å; E208-S258 WeakPolarHBondContact OE1-CA 3.27Å; E208-S258 VanDerWaalsContact OE1-CB 3.32Å; E208-S258 WeakPolarHBondContact OE1-CB 3.48Å; E208-S258 PolarHBondContact OE1-OG 3.47Å; H255-S258 WeakPolarHBondContact O-CB 3.25Å; H255-S258 PolarHBondContact O-N 2.87Å; P256-S258 PolarHBondContact O-N 3.38Å; S258-A260 PolarHBondContact O-N 2.98Å; S258-K261 PolarHBondContact O-N 3.27Å; S258-K261 VanDerWaalsContact O-N 3.17Å; S258-V262 WeakPolarHBondContact O-CG1 2.94Å; S258-V262 PolarHBondContact O-N 2.96Å
259Y90Very high89.4Confident64 Ų6447.9 Ų47.925%0.25123%0.232SC..Hα-helixtrans-58.9-47.4-173-57.9-11.8000111.9C250 R251 L254 H255 P256 V262 I263C250-Y259 HydrophobicContact CB-CD1 4.02Å; C250-Y259 VanDerWaalsContact O-CE1 3.27Å; C250-Y259 WeakPolarHBondContact O-CE1 3.42Å; R251-Y259 HydrophobicContact CG-CE2 4.19Å; L254-Y259 HydrophobicContact CB-CD1 4.21Å; L254-Y259 HydrophobicContact CB-CE1 3.87Å; L254-Y259 WeakPolarHBondContact O-CE1 3.36Å; L254-Y259 PolarHBondContact O-OH 2.82Å; L254-Y259 VanDerWaalsContact O-OH 3.14Å; H255-Y259 VanDerWaalsContact C-CE1 3.5Å; H255-Y259 WeakPolarHBondContact O-CD1 3.33Å; H255-Y259 WeakPolarHBondContact O-CE1 3.46Å; P256-Y259 VanDerWaalsContact CA-CE2 3.44Å; P256-Y259 VanDerWaalsContact CA-CZ 3.45Å; P256-Y259 HydrophobicContact CB-CD2 4.16Å; P256-Y259 HydrophobicContact CB-CE2 3.77Å; P256-Y259 HydrophobicContact CG-CE2 3.94Å; P256-Y259 PolarHBondContact O-N 3.46Å; Y259-V262 WeakPolarHBondContact O-CG1 3.48Å; Y259-I263 WeakPolarHBondContact O-CB 3.25Å; Y259-I263 WeakPolarHBondContact O-CG1 3.24Å; Y259-I263 PolarHBondContact O-N 3.36Å
260A90.3Very high89.4Confident78 Ų7846.6 Ų46.665%0.64523%0.228SC*.Hα-helixtrans-68.1-38179.400000112S258 H264S258-A260 PolarHBondContact O-N 2.98Å; A260-H264 VanDerWaalsContact O-CB 3.24Å; A260-H264 WeakPolarHBondContact O-CB 3.43Å; A260-H264 PolarHBondContact O-N 3.23Å
261K91.4Very high89.4Confident86 Ų8646.7 Ų46.737%0.37423%0.228SC..Hα-helixtrans-68-44.1-177.1-59.9-176.5-168.9174.50112E208 L212 S258 H264 E265E208-K261 IonicContact OE1-NZ 3.73Å; E208-K261 PolarHBondContact OE1-NZ 2.89Å; E208-K261 IonicContact OE2-NZ 3.84Å; E208-K261 PolarHBondContact OE2-NZ 3.38Å; L212-K261 HydrophobicContact CD1-CB 4.28Å; L212-K261 HydrophobicContact CD1-CD 4.47Å; L212-K261 HydrophobicContact CD2-CB 4.24Å; S258-K261 PolarHBondContact O-N 3.27Å; S258-K261 VanDerWaalsContact O-N 3.17Å; K261-H264 PolarHBondContact O-N 3.37Å; K261-E265 PolarHBondContact O-N 2.59Å
262V92.2Very high89.3Confident0 Ų040.2 Ų40.20%021%0.209CC..Hα-helixtrans-70.4-41.1-179.4700000111.5F211 L212 T215 C250 L254 S258 Y259 H264 E265 C266F211-V262 HydrophobicContact CE1-CB 4.08Å; F211-V262 HydrophobicContact CE1-CG2 3.55Å; F211-V262 HydrophobicContact CZ-CG2 3.88Å; L212-V262 HydrophobicContact CD2-CB 3.82Å; L212-V262 HydrophobicContact CD2-CG2 4.19Å; T215-V262 HydrophobicContact CG2-CG2 3.7Å; C250-V262 HydrophobicContact CB-CG1 4.3Å; C250-V262 WeakPolarHBondContact SG-CG1 3.16Å; L254-V262 HydrophobicContact CD1-CG1 4.45Å; S258-V262 WeakPolarHBondContact O-CG1 2.94Å; S258-V262 PolarHBondContact O-N 2.96Å; Y259-V262 WeakPolarHBondContact O-CG1 3.48Å; V262-H264 VanDerWaalsContact C-N 3.33Å; V262-H264 PolarHBondContact O-N 3.4Å; V262-E265 PolarHBondContact O-N 2.7Å; V262-C266 PolarHBondContact O-N 2.82Å; V262-C266 PolarHBondContact O-SG 2.79Å
263I91.3Very high89.3Confident30 Ų3040 Ų4015%0.15421%0.211CC..Hα-helixtrans-63.2-42.7175.1-65.5-61.2000110.6E246 E247 Y259 C266 Q267E246-I263 HydrophobicContact CB-CD1 4.49Å; E247-I263 HydrophobicContact CB-CD1 3.83Å; E247-I263 HydrophobicContact CG-CD1 4.42Å; Y259-I263 WeakPolarHBondContact O-CB 3.25Å; Y259-I263 WeakPolarHBondContact O-CG1 3.24Å; Y259-I263 PolarHBondContact O-N 3.36Å; I263-C266 PolarHBondContact O-N 3.35Å; I263-Q267 HydrophobicContact CG2-CG 4.37Å; I263-Q267 WeakPolarHBondContact O-CB 3.47Å; I263-Q267 VanDerWaalsContact O-CG 3.28Å; I263-Q267 WeakPolarHBondContact O-CG 3.49Å; I263-Q267 PolarHBondContact O-N 3.33Å
264H90.3Very high89.4Confident94 Ų9441.6 Ų41.644%0.43522%0.219SC..Hα-helixtrans-60.4-46.2174.1179.7-90.4000111.7A260 K261 V262 C266 Q267 Q268A260-H264 VanDerWaalsContact O-CB 3.24Å; A260-H264 WeakPolarHBondContact O-CB 3.43Å; A260-H264 PolarHBondContact O-N 3.23Å; K261-H264 PolarHBondContact O-N 3.37Å; V262-H264 VanDerWaalsContact C-N 3.33Å; V262-H264 PolarHBondContact O-N 3.4Å; H264-C266 VanDerWaalsContact C-N 3.33Å; H264-C266 PolarHBondContact O-N 3.5Å; H264-Q267 PolarHBondContact O-N 2.95Å; H264-Q268 VanDerWaalsContact CE1-CG 3.42Å; H264-Q268 WeakPolarHBondContact CE1-CG 3.14Å; H264-Q268 PolarHBondContact CE1-NE2 3.35Å; H264-Q268 PolarHBondContact NE2-NE2 3.49Å; H264-Q268 VanDerWaalsContact O-CG 3.27Å; H264-Q268 WeakPolarHBondContact O-CG 3.47Å; H264-Q268 PolarHBondContact O-N 3.1Å
265E91.4Very high89.4Confident42 Ų4243 Ų4320%0.19623%0.226CC..Hα-helixtrans-59.3-43.4176.1-173.765.9-16200111.5K261 V262 Q267 Q268 R269K261-E265 PolarHBondContact O-N 2.59Å; V262-E265 PolarHBondContact O-N 2.7Å; E265-Q267 PolarHBondContact O-N 3.32Å; E265-Q268 PolarHBondContact O-N 3.39Å; E265-R269 VanDerWaalsContact O-CG 3.31Å; E265-R269 WeakPolarHBondContact O-CG 3.26Å; E265-R269 PolarHBondContact O-N 3.27Å; E265-R269 IonicContact OE1-CZ 3.78Å; E265-R269 IonicContact OE1-NE 2.79Å; E265-R269 PolarHBondContact OE1-NE 2.83Å; E265-R269 IonicContact OE1-NH2 3.35Å; E265-R269 PolarHBondContact OE1-NH2 2.96Å
266C91.2Very high89.3Confident0 Ų049 Ų490%025%0.254CS..Hα-helixtrans-62.3-44.2176.8-60.90000111.7Y219 L243 V262 I263 H264 R269 M270Y219-C266 HydrophobicContact CD2-CB 4.2Å; Y219-C266 WeakPolarHBondContact CD2-SG 3.44Å; Y219-C266 WeakPolarHBondContact CE2-SG 3.49Å; L243-C266 HydrophobicContact CD2-CB 3.49Å; L243-C266 VanDerWaalsContact CD2-CB 3.49Å; V262-C266 PolarHBondContact O-N 2.82Å; V262-C266 PolarHBondContact O-SG 2.79Å; I263-C266 PolarHBondContact O-N 3.35Å; H264-C266 VanDerWaalsContact C-N 3.33Å; H264-C266 PolarHBondContact O-N 3.5Å; C266-R269 PolarHBondContact O-N 3.05Å; C266-M270 VanDerWaalsContact O-CB 3.29Å; C266-M270 WeakPolarHBondContact O-CB 3.45Å; C266-M270 VanDerWaalsContact O-CG 3.27Å; C266-M270 WeakPolarHBondContact O-CG 3.43Å; C266-M270 PolarHBondContact O-N 3.18Å
267Q90.1Very high89.1Confident42 Ų4248.5 Ų48.520%0.19624%0.244CC..Hα-helixtrans-63.3-41.1176.8-72.9170.6-15.700111.8L243 I263 H264 E265 V271 A272 A303L243-Q267 HydrophobicContact CD1-CG 4.03Å; L243-Q267 HydrophobicContact CD2-CG 4.04Å; I263-Q267 HydrophobicContact CG2-CG 4.37Å; I263-Q267 WeakPolarHBondContact O-CB 3.47Å; I263-Q267 VanDerWaalsContact O-CG 3.28Å; I263-Q267 WeakPolarHBondContact O-CG 3.49Å; I263-Q267 PolarHBondContact O-N 3.33Å; H264-Q267 PolarHBondContact O-N 2.95Å; E265-Q267 PolarHBondContact O-N 3.32Å; Q267-V271 WeakPolarHBondContact O-CA 3.33Å; Q267-V271 WeakPolarHBondContact O-CB 3.36Å; Q267-V271 PolarHBondContact O-N 3.24Å; Q267-A272 PolarHBondContact O-N 2.93Å; Q267-A303 HydrophobicContact CG-CB 4.49Å
268Q88.6Confident89Confident50 Ų5046.9 Ų46.923%0.23423%0.232CC..Iπ-helixtrans-61.9-49.3176.2-69.2-64.5-20.800111.2H264 E265 A272 D273H264-Q268 VanDerWaalsContact CE1-CG 3.42Å; H264-Q268 WeakPolarHBondContact CE1-CG 3.14Å; H264-Q268 PolarHBondContact CE1-NE2 3.35Å; H264-Q268 PolarHBondContact NE2-NE2 3.49Å; H264-Q268 VanDerWaalsContact O-CG 3.27Å; H264-Q268 WeakPolarHBondContact O-CG 3.47Å; H264-Q268 PolarHBondContact O-N 3.1Å; E265-Q268 PolarHBondContact O-N 3.39Å; Q268-A272 WeakPolarHBondContact O-CA 3.45Å; Q268-A272 VanDerWaalsContact O-CB 3.32Å; Q268-A272 WeakPolarHBondContact O-CB 3.48Å; Q268-A272 PolarHBondContact O-N 3.22Å; Q268-A272 VanDerWaalsContact O-N 3.08Å; Q268-D273 PolarHBondContact O-N 3.03Å
269R90.8Very high88.7Confident80 Ų8048.4 Ų48.430%0.30224%0.239SC..Iπ-helixtrans-70.7-39.9-177.7-61.5-59179.7-172.7-2.6114.1K220 E265 C266 D273K220-R269 HydrophobicContact CB-CB 4.45Å; E265-R269 VanDerWaalsContact O-CG 3.31Å; E265-R269 WeakPolarHBondContact O-CG 3.26Å; E265-R269 PolarHBondContact O-N 3.27Å; E265-R269 IonicContact OE1-CZ 3.78Å; E265-R269 IonicContact OE1-NE 2.79Å; E265-R269 PolarHBondContact OE1-NE 2.83Å; E265-R269 IonicContact OE1-NH2 3.35Å; E265-R269 PolarHBondContact OE1-NH2 2.96Å; C266-R269 PolarHBondContact O-N 3.05Å; R269-D273 WeakPolarHBondContact CD-OD2 3.44Å; R269-D273 IonicContact NH1-OD2 2.78Å
270M89.2Confident88.4Confident0 Ų047.5 Ų47.50%025%0.25CC..Iπ-helixtrans-88.5-24.4-176-58.7-175.386.100113Y219 A223 L226 Y235 V239 R242 L243 C266Y219-M270 HydrophobicContact CD1-CE 3.82Å; Y219-M270 HydrophobicContact CD1-CG 4.11Å; Y219-M270 HydrophobicContact CD1-SD 3.3Å; Y219-M270 WeakPolarHBondContact CD1-SD 3.24Å; Y219-M270 HydrophobicContact CE1-CE 4.34Å; Y219-M270 HydrophobicContact CE1-SD 3.89Å; Y219-M270 HydrophobicContact CG-CG 4.26Å; Y219-M270 HydrophobicContact CG-SD 3.92Å; A223-M270 HydrophobicContact CB-CB 4.34Å; A223-M270 HydrophobicContact CB-CG 4.23Å; L226-M270 HydrophobicContact CD1-CE 4.34Å; Y235-M270 PolarHBondContact OH-O 2.96Å; V239-M270 HydrophobicContact CB-CE 4.31Å; V239-M270 HydrophobicContact CG1-CB 3.93Å; V239-M270 HydrophobicContact CG1-CE 4.24Å; V239-M270 HydrophobicContact CG1-SD 4.25Å; V239-M270 HydrophobicContact CG2-CB 4.49Å; V239-M270 HydrophobicContact CG2-CE 3.92Å; R242-M270 HydrophobicContact CB-CE 4.09Å; R242-M270 HydrophobicContact CB-SD 4.49Å; R242-M270 HydrophobicContact CG-CE 4.37Å; L243-M270 HydrophobicContact CD2-SD 4.5Å; C266-M270 VanDerWaalsContact O-CB 3.29Å; C266-M270 WeakPolarHBondContact O-CB 3.45Å; C266-M270 VanDerWaalsContact O-CG 3.27Å; C266-M270 WeakPolarHBondContact O-CG 3.43Å; C266-M270 PolarHBondContact O-N 3.18Å
271V88.8Confident88.2Confident2 Ų247.2 Ų47.21%0.01224%0.235CC..Iπ-helixtrans-117.4-53-174.2-169.50000111.2V239 Q267 H274 L275 L278 L300 V304V239-V271 HydrophobicContact CG1-CG2 4.09Å; Q267-V271 WeakPolarHBondContact O-CA 3.33Å; Q267-V271 WeakPolarHBondContact O-CB 3.36Å; Q267-V271 PolarHBondContact O-N 3.24Å; V271-H274 CarbonylContact O-C 3.59Å; V271-H274 PolarHBondContact O-N 3.39Å; V271-L275 PolarHBondContact O-N 2.8Å; V271-L278 HydrophobicContact CG1-CD1 3.7Å; V271-L300 HydrophobicContact CG1-CB 4.07Å; V271-L300 HydrophobicContact CG2-CD2 3.92Å; V271-V304 HydrophobicContact CB-CG2 4.06Å; V271-V304 HydrophobicContact CG1-CG2 3.84Å
272A87.4Confident87.9Confident23 Ų2343.2 Ų43.219%0.1922%0.218CC..Iπ-helixtrans-70.3-40.3-172.900000112.9Q267 Q268 H274 L275 V304Q267-A272 PolarHBondContact O-N 2.93Å; Q268-A272 WeakPolarHBondContact O-CA 3.45Å; Q268-A272 VanDerWaalsContact O-CB 3.32Å; Q268-A272 WeakPolarHBondContact O-CB 3.48Å; Q268-A272 PolarHBondContact O-N 3.22Å; Q268-A272 VanDerWaalsContact O-N 3.08Å; A272-H274 PolarHBondContact O-N 3.37Å; A272-L275 VanDerWaalsContact O-CB 3.31Å; A272-L275 WeakPolarHBondContact O-CB 3.28Å; A272-L275 PolarHBondContact O-N 2.82Å; A272-V304 HydrophobicContact CB-CG1 3.89Å; A272-V304 HydrophobicContact CB-CG2 4.34Å
273D87.3Confident87.6Confident79 Ų7947.9 Ų47.942%0.42224%0.24SC..THydrogen-bonded Turntrans-63.4-23.2177.3-75.3-8.2000112.3Q268 R269Q268-D273 PolarHBondContact O-N 3.03Å; R269-D273 WeakPolarHBondContact CD-OD2 3.44Å; R269-D273 IonicContact NH1-OD2 2.78Å
274H86.1Confident87.4Confident33 Ų3349.4 Ų49.415%0.15325%0.248CC..THydrogen-bonded Turntrans-112.521.3-178.7-58.4-64000113.3Y235 V271 A272 Q276 F277 L278Y235-H274 PolarHBondContact OH-CD2 2.69Å; Y235-H274 VanDerWaalsContact OH-CD2 3.31Å; V271-H274 CarbonylContact O-C 3.59Å; V271-H274 PolarHBondContact O-N 3.39Å; A272-H274 PolarHBondContact O-N 3.37Å; H274-Q276 VanDerWaalsContact C-N 3.31Å; H274-Q276 PolarHBondContact O-N 2.86Å; H274-F277 WeakPolarHBondContact O-CB 3.46Å; H274-F277 PolarHBondContact O-N 3.3Å; H274-F277 VanDerWaalsContact O-N 3.15Å; H274-L278 PolarHBondContact O-N 3.01Å
275L86.6Confident87.3Confident32 Ų3245.2 Ų45.217%0.16823%0.229CC..Hα-helixtrans-59.4-38-172.8-172.863.9000113.5V271 A272 F277 L278 H279 L301V271-L275 PolarHBondContact O-N 2.8Å; A272-L275 VanDerWaalsContact O-CB 3.31Å; A272-L275 WeakPolarHBondContact O-CB 3.28Å; A272-L275 PolarHBondContact O-N 2.82Å; L275-F277 VanDerWaalsContact C-N 3.29Å; L275-F277 PolarHBondContact O-N 3.34Å; L275-L278 PolarHBondContact O-N 3.22Å; L275-H279 WeakPolarHBondContact CD1-NE2 3.01Å; L275-H279 VanDerWaalsContact CG-CE1 3.41Å; L275-H279 WeakPolarHBondContact CG-CE1 3.49Å; L275-H279 WeakPolarHBondContact O-CB 3.47Å; L275-H279 VanDerWaalsContact O-CG 3.28Å; L275-H279 PolarHBondContact O-N 3.34Å; L275-L301 HydrophobicContact CD1-CD2 3.36Å
276Q85.9Confident87.1Confident176 Ų17643.4 Ų43.482%0.82222%0.221SC*.Hα-helixtrans-61.5-36.6179.6-67.6-178-2.600112.7H274 H279 G280H274-Q276 VanDerWaalsContact C-N 3.31Å; H274-Q276 PolarHBondContact O-N 2.86Å; Q276-H279 PolarHBondContact O-N 3.47Å; Q276-G280 PolarHBondContact O-N 2.86Å
277F85.6Confident86.9Confident70 Ų7052.4 Ų52.431%0.30725%0.254SS..Hα-helixtrans-66.9-46.6176.5170.1-102.5000111L227 C232 H274 L275 H279 G280 E281L227-F277 HydrophobicContact CD1-CD1 3.4Å; L227-F277 HydrophobicContact CD1-CD2 4Å; L227-F277 HydrophobicContact CD1-CE1 3.31Å; L227-F277 HydrophobicContact CD1-CE2 3.94Å; L227-F277 HydrophobicContact CD1-CG 3.74Å; L227-F277 HydrophobicContact CD1-CZ 3.59Å; C232-F277 HydrophobicContact CB-CE1 3.76Å; C232-F277 HydrophobicContact CB-CZ 3.71Å; H274-F277 WeakPolarHBondContact O-CB 3.46Å; H274-F277 PolarHBondContact O-N 3.3Å; H274-F277 VanDerWaalsContact O-N 3.15Å; L275-F277 VanDerWaalsContact C-N 3.29Å; L275-F277 PolarHBondContact O-N 3.34Å; F277-H279 VanDerWaalsContact C-N 3.3Å; F277-H279 PolarHBondContact O-N 3.37Å; F277-G280 PolarHBondContact O-N 2.99Å; F277-E281 PolarHBondContact O-N 3.49Å
278L84.3Confident86.7Confident3 Ų356 Ų562%0.01627%0.272CS..Hα-helixtrans-61.7-39.3175.7-63175.4000111.7Y235 M236 V271 H274 L275 E281 C282 L301Y235-L278 HydrophobicContact CD1-CD2 4.27Å; Y235-L278 HydrophobicContact CE1-CD2 4.37Å; M236-L278 HydrophobicContact CG-CD2 3.96Å; M236-L278 HydrophobicContact SD-CD2 4.24Å; V271-L278 HydrophobicContact CG1-CD1 3.7Å; H274-L278 PolarHBondContact O-N 3.01Å; L275-L278 PolarHBondContact O-N 3.22Å; L278-E281 PolarHBondContact O-N 3.1Å; L278-C282 WeakPolarHBondContact O-CB 3.41Å; L278-C282 PolarHBondContact O-N 3.12Å; L278-L301 HydrophobicContact CD1-CD2 4.31Å
279H84.4Confident86.6Confident32 Ų3256.7 Ų56.715%0.14827%0.274CS..Hα-helixtrans-66.2-37.1176-75.5-180000112.9L275 Q276 F277 C282 G307 H310L275-H279 WeakPolarHBondContact CD1-NE2 3.01Å; L275-H279 VanDerWaalsContact CG-CE1 3.41Å; L275-H279 WeakPolarHBondContact CG-CE1 3.49Å; L275-H279 WeakPolarHBondContact O-CB 3.47Å; L275-H279 VanDerWaalsContact O-CG 3.28Å; L275-H279 PolarHBondContact O-N 3.34Å; Q276-H279 PolarHBondContact O-N 3.47Å; F277-H279 VanDerWaalsContact C-N 3.3Å; F277-H279 PolarHBondContact O-N 3.37Å; H279-C282 WeakPolarHBondContact O-CB 3.48Å; H279-C282 PolarHBondContact O-N 3.34Å; H279-G307 PolarHBondContact NE2-O 2.75Å; H279-H310 WeakPolarHBondContact CB-CD2 3.35Å; H279-H310 AromaticContact CD2-CD2 3.67Å; H279-H310 AromaticContact CD2-CG 3.87Å; H279-H310 VanDerWaalsContact CE1-CB 3.42Å; H279-H310 WeakPolarHBondContact CE1-CB 3.46Å; H279-H310 AromaticContact CG-CD2 3.44Å; H279-H310 VanDerWaalsContact CG-CD2 3.44Å; H279-H310 AromaticContact CG-CG 3.57Å; H279-H310 AromaticContact ND1-CG 3.69Å; H279-H310 WeakPolarHBondContact NE2-CB 3.35Å; H279-H310 PolarHBondContact O-NE2 3.41Å
280G83.9Confident86.4Confident46 Ų4656.9 Ų56.947%0.47428%0.278SS..Hα-helixtrans-63-42175.400000112.9Q276 F277Q276-G280 PolarHBondContact O-N 2.86Å; F277-G280 PolarHBondContact O-N 2.99Å
281E84.8Confident86.4Confident72 Ų7263 Ų6334%0.33630%0.301SS..Hα-helixtrans-82.4-18.2178.5-70.3-58.6145.200113.8C232 F277 L278 Q283 N284 I285C232-E281 HydrophobicContact CB-CB 4.07Å; C232-E281 HydrophobicContact CB-CG 3.78Å; F277-E281 PolarHBondContact O-N 3.49Å; L278-E281 PolarHBondContact O-N 3.1Å; E281-Q283 VanDerWaalsContact C-N 3.26Å; E281-Q283 PolarHBondContact O-N 3.43Å; E281-N284 WeakPolarHBondContact O-CB 3.28Å; E281-N284 PolarHBondContact O-N 2.84Å; E281-N284 PolarHBondContact OE2-ND2 3.11Å; E281-I285 HydrophobicContact CB-CD1 4.47Å; E281-I285 WeakPolarHBondContact O-CG1 3.37Å; E281-I285 PolarHBondContact O-N 2.89Å
282C86Confident86.4Confident1 Ų168.9 Ų68.91%0.00733%0.332CS..Hα-helixtrans-54.9-42178.3-168.70000112.2L278 H279 N284 I285 I286 M311L278-C282 WeakPolarHBondContact O-CB 3.41Å; L278-C282 PolarHBondContact O-N 3.12Å; H279-C282 WeakPolarHBondContact O-CB 3.48Å; H279-C282 PolarHBondContact O-N 3.34Å; C282-N284 VanDerWaalsContact C-N 3.33Å; C282-N284 PolarHBondContact O-N 3.11Å; C282-I285 PolarHBondContact O-N 2.66Å; C282-I286 WeakPolarHBondContact O-CB 3.34Å; C282-I286 VanDerWaalsContact O-CG1 3.28Å; C282-I286 WeakPolarHBondContact O-CG1 3.45Å; C282-I286 PolarHBondContact O-N 3.24Å; C282-M311 VanDerWaalsContact SG-CG 3.55Å
283Q85.5Confident86.5Confident99 Ų9968.6 Ų68.646%0.46333%0.327SS..Hα-helixtrans-61.5-41177-178.7170.772.900112.1E281 R287 E314E281-Q283 VanDerWaalsContact C-N 3.26Å; E281-Q283 PolarHBondContact O-N 3.43Å; Q283-R287 WeakPolarHBondContact O-CB 3.45Å; Q283-R287 PolarHBondContact O-N 3.18Å; Q283-E314 HydrophobicContact CB-CG 4.49Å; Q283-E314 WeakPolarHBondContact CG-OE2 3.32Å; Q283-E314 PolarHBondContact NE2-OE2 2.9Å
284N87.1Confident86.5Confident61 Ų6164.9 Ų64.933%0.32631%0.308SS..Hα-helixtrans-68.4-43.6178-68.2-30.4000111.4E281 C282 I286 R287 Q288E281-N284 WeakPolarHBondContact O-CB 3.28Å; E281-N284 PolarHBondContact O-N 2.84Å; E281-N284 PolarHBondContact OE2-ND2 3.11Å; C282-N284 VanDerWaalsContact C-N 3.33Å; C282-N284 PolarHBondContact O-N 3.11Å; N284-I286 VanDerWaalsContact C-N 3.35Å; N284-I286 PolarHBondContact O-N 3.47Å; N284-R287 PolarHBondContact O-N 3.35Å; N284-Q288 VanDerWaalsContact O-CB 3.29Å; N284-Q288 WeakPolarHBondContact O-CB 3.25Å; N284-Q288 WeakPolarHBondContact O-CG 3.48Å; N284-Q288 PolarHBondContact O-N 2.98Å
285I87.7Confident86.8Confident6 Ų664.8 Ų64.83%0.03131%0.312CS..Hα-helixtrans-59.7-46.4178.5-68.8165.3000110.5M236 E281 C282 E289 K290 D293 M294M236-I285 HydrophobicContact CE-CD1 4.01Å; E281-I285 HydrophobicContact CB-CD1 4.47Å; E281-I285 WeakPolarHBondContact O-CG1 3.37Å; E281-I285 PolarHBondContact O-N 2.89Å; C282-I285 PolarHBondContact O-N 2.66Å; I285-E289 PolarHBondContact O-N 2.89Å; I285-K290 HydrophobicContact CG2-CB 4.38Å; I285-K290 PolarHBondContact O-N 2.87Å; I285-K290 VanDerWaalsContact O-N 3.12Å; I285-D293 HydrophobicContact CD1-CB 4.17Å; I285-D293 HydrophobicContact CG1-CB 4.12Å; I285-D293 HydrophobicContact CG2-CB 3.9Å; I285-M294 HydrophobicContact CG2-CB 3.8Å
286I88Confident87Confident5 Ų564.7 Ų64.73%0.02631%0.312CS..Hα-helixtrans-66.4-47.8178.6-67.7171.7000110.1C282 N284 Q288 E289 M311 E314 L315 H318C282-I286 WeakPolarHBondContact O-CB 3.34Å; C282-I286 VanDerWaalsContact O-CG1 3.28Å; C282-I286 WeakPolarHBondContact O-CG1 3.45Å; C282-I286 PolarHBondContact O-N 3.24Å; N284-I286 VanDerWaalsContact C-N 3.35Å; N284-I286 PolarHBondContact O-N 3.47Å; I286-Q288 VanDerWaalsContact C-N 3.33Å; I286-Q288 PolarHBondContact O-N 3.07Å; I286-E289 PolarHBondContact O-N 3.04Å; I286-E289 VanDerWaalsContact O-N 3.1Å; I286-M311 HydrophobicContact CD1-CG 4.26Å; I286-E314 HydrophobicContact CD1-CB 3.74Å; I286-L315 HydrophobicContact CD1-CB 4.15Å; I286-L315 HydrophobicContact CG2-CD1 3.78Å; I286-H318 HydrophobicContact CG2-CB 3.6Å
287R86.1Confident87.1Confident188 Ų18856.4 Ų56.471%0.70927%0.273SS*.Hα-helixtrans-66.9-31.7-176.8-172.5176.3-176.2-178.51.9113.8Q283 N284Q283-R287 WeakPolarHBondContact O-CB 3.45Å; Q283-R287 PolarHBondContact O-N 3.18Å; N284-R287 PolarHBondContact O-N 3.35Å
288Q87Confident87.3Confident119 Ų11953.2 Ų53.256%0.55626%0.259SS*.THydrogen-bonded Turntrans-91.50.1176-64177.74.500112.5N284 I286 K290N284-Q288 VanDerWaalsContact O-CB 3.29Å; N284-Q288 WeakPolarHBondContact O-CB 3.25Å; N284-Q288 WeakPolarHBondContact O-CG 3.48Å; N284-Q288 PolarHBondContact O-N 2.98Å; I286-Q288 VanDerWaalsContact C-N 3.33Å; I286-Q288 PolarHBondContact O-N 3.07Å; Q288-K290 HydrophobicContact CB-CG 4.19Å; Q288-K290 PolarHBondContact O-N 3.31Å; Q288-K290 VanDerWaalsContact OE1-NZ 3.13Å
289E85.3Confident87.6Confident63 Ų6356.5 Ų56.529%0.29428%0.279SS..THydrogen-bonded Turntrans51.738.2179.3-63.6176.5-141.300114.2I285 I286 R291 K349I285-E289 PolarHBondContact O-N 2.89Å; I286-E289 PolarHBondContact O-N 3.04Å; I286-E289 VanDerWaalsContact O-N 3.1Å; E289-R291 PolarHBondContact O-N 3.46Å; E289-K349 WeakPolarHBondContact OE1-CE 3.33Å; E289-K349 IonicContact OE1-NZ 3.87Å; E289-K349 PolarHBondContact OE1-NZ 3.03Å; E289-K349 WeakPolarHBondContact OE2-CE 3.36Å; E289-K349 IonicContact OE2-NZ 2.7Å; E289-K349 PolarHBondContact OE2-NZ 2.96Å
290K88Confident87.8Confident85 Ų8555.2 Ų55.237%0.3727%0.274SS..  trans-72.195.2176.8-67-176.9-179.3164.20110.2I285 Q288 D292 D293 M294I285-K290 HydrophobicContact CG2-CB 4.38Å; I285-K290 PolarHBondContact O-N 2.87Å; I285-K290 VanDerWaalsContact O-N 3.12Å; Q288-K290 HydrophobicContact CB-CG 4.19Å; Q288-K290 PolarHBondContact O-N 3.31Å; Q288-K290 VanDerWaalsContact OE1-NZ 3.13Å; K290-D292 PolarHBondContact O-N 3.33Å; K290-D293 HydrophobicContact CB-CB 3.96Å; K290-D293 VanDerWaalsContact CD-OD2 3.23Å; K290-D293 WeakPolarHBondContact CD-OD2 3.23Å; K290-D293 PolarHBondContact O-N 3.4Å; K290-M294 VanDerWaalsContact O-CB 3.3Å; K290-M294 WeakPolarHBondContact O-CB 3.45Å; K290-M294 PolarHBondContact O-N 3.12Å
291R89.1Confident88Confident128 Ų12853 Ų5348%0.48325%0.251SS..Hα-helixtrans-60.6-45.3-171.7-64.2-170.3179.6-152.70.4113.7E289 M294 A295 L353 V357E289-R291 PolarHBondContact O-N 3.46Å; R291-M294 PolarHBondContact O-N 3.05Å; R291-A295 PolarHBondContact O-N 2.92Å; R291-L353 HydrophobicContact CG-CD1 4.36Å; R291-V357 HydrophobicContact CB-CG2 3.97Å; R291-V357 HydrophobicContact CG-CG2 4.12Å; R291-V357 VanDerWaalsContact O-CG1 3.29Å; R291-V357 WeakPolarHBondContact O-CG1 3.39Å
292D88.3Confident88.2Confident126 Ų12656.8 Ų56.867%0.67426%0.262SS*.Hα-helixtrans-66.8-45.7-178-58.6-40.3000111.3K290 M294 A295 N296K290-D292 PolarHBondContact O-N 3.33Å; D292-M294 VanDerWaalsContact C-N 3.28Å; D292-M294 PolarHBondContact O-N 3.22Å; D292-A295 WeakPolarHBondContact O-CB 3.3Å; D292-A295 PolarHBondContact O-N 3.47Å; D292-N296 VanDerWaalsContact O-CG 3.29Å; D292-N296 PolarHBondContact O-N 3.3Å; D292-N296 PolarHBondContact O-ND2 3.02Å
293D88.6Confident88.1Confident16 Ų1658.7 Ų58.79%0.08628%0.278CS..Hα-helixtrans-61.1-38.2175.6-74-20.9000112S233 M236 I285 K290 N296 T297S233-D293 WeakPolarHBondContact CB-OD1 3.43Å; S233-D293 PolarHBondContact OG-OD1 3.19Å; S233-D293 VanDerWaalsContact OG-OD1 3.14Å; S233-D293 PolarHBondContact OG-OD2 3.48Å; M236-D293 HydrophobicContact CE-CB 4.16Å; I285-D293 HydrophobicContact CD1-CB 4.17Å; I285-D293 HydrophobicContact CG1-CB 4.12Å; I285-D293 HydrophobicContact CG2-CB 3.9Å; K290-D293 HydrophobicContact CB-CB 3.96Å; K290-D293 VanDerWaalsContact CD-OD2 3.23Å; K290-D293 WeakPolarHBondContact CD-OD2 3.23Å; K290-D293 PolarHBondContact O-N 3.4Å; D293-N296 PolarHBondContact O-N 2.87Å; D293-T297 VanDerWaalsContact O-CB 3.29Å; D293-T297 WeakPolarHBondContact O-CB 3.26Å; D293-T297 PolarHBondContact O-N 3.25Å; D293-T297 PolarHBondContact O-OG1 3.06Å
294M88.7Confident88.1Confident2 Ų254.4 Ų54.41%0.0126%0.259CS..Hα-helixtrans-69.3-37.5177-178.3165.95200112.2I285 K290 R291 D292 T297 Y298 M311 L353 V357 L358I285-M294 HydrophobicContact CG2-CB 3.8Å; K290-M294 VanDerWaalsContact O-CB 3.3Å; K290-M294 WeakPolarHBondContact O-CB 3.45Å; K290-M294 PolarHBondContact O-N 3.12Å; R291-M294 PolarHBondContact O-N 3.05Å; D292-M294 VanDerWaalsContact C-N 3.28Å; D292-M294 PolarHBondContact O-N 3.22Å; M294-T297 PolarHBondContact O-N 3.14Å; M294-Y298 VanDerWaalsContact O-CB 3.29Å; M294-Y298 WeakPolarHBondContact O-CB 3.49Å; M294-Y298 PolarHBondContact O-N 3.31Å; M294-M311 HydrophobicContact CG-CE 3.55Å; M294-M311 HydrophobicContact SD-CE 4.31Å; M294-L353 HydrophobicContact CE-CD1 3.46Å; M294-L353 VanDerWaalsContact CE-CD1 3.46Å; M294-L353 HydrophobicContact CE-CD2 3.82Å; M294-L353 HydrophobicContact CE-CG 3.61Å; M294-V357 HydrophobicContact CB-CG1 3.77Å; M294-V357 HydrophobicContact CE-CB 3.97Å; M294-V357 HydrophobicContact CE-CG1 3.66Å; M294-V357 HydrophobicContact CE-CG2 4.07Å; M294-V357 HydrophobicContact CG-CG1 3.66Å; M294-V357 HydrophobicContact SD-CG1 4.35Å; M294-L358 HydrophobicContact CG-CD2 3.9Å; M294-L358 HydrophobicContact SD-CD2 4.41Å
295A91.1Very high87.5Confident30 Ų3056.6 Ų56.625%0.24828%0.279CS..Hα-helixtrans-64-43.5173.200000111.4R291 D292 Y298 T299 V357R291-A295 PolarHBondContact O-N 2.92Å; D292-A295 WeakPolarHBondContact O-CB 3.3Å; D292-A295 PolarHBondContact O-N 3.47Å; A295-Y298 PolarHBondContact O-N 2.93Å; A295-T299 WeakPolarHBondContact O-CB 3.42Å; A295-T299 PolarHBondContact O-N 3.5Å; A295-T299 PolarHBondContact O-OG1 3.33Å; A295-V357 HydrophobicContact CB-CG1 3.92Å
296N90.8Very high87.1Confident30 Ų3062 Ų6216%0.1631%0.307CS..Hα-helixtrans-63.6-47.2176.9-69.8-23.1000110.9M236 L240 D292 D293 Y298 T299 L300M236-N296 HydrophobicContact CB-CB 4.18Å; M236-N296 HydrophobicContact SD-CB 4.41Å; L240-N296 HydrophobicContact CD1-CB 3.92Å; L240-N296 WeakPolarHBondContact CD1-OD1 3.42Å; D292-N296 VanDerWaalsContact O-CG 3.29Å; D292-N296 PolarHBondContact O-N 3.3Å; D292-N296 PolarHBondContact O-ND2 3.02Å; D293-N296 PolarHBondContact O-N 2.87Å; N296-Y298 PolarHBondContact O-N 3.34Å; N296-T299 PolarHBondContact O-N 3.29Å; N296-L300 WeakPolarHBondContact O-CG 3.36Å; N296-L300 PolarHBondContact O-N 3.27Å
297T88.8Confident86.9Confident2 Ų261.8 Ų61.81%0.01231%0.306CS..Hα-helixtrans-58.8-48.1176.2-56.10000110.7M236 D293 M294 T299 L300 L301 M311M236-T297 PolarHBondContact SD-OG1 3.44Å; D293-T297 VanDerWaalsContact O-CB 3.29Å; D293-T297 WeakPolarHBondContact O-CB 3.26Å; D293-T297 PolarHBondContact O-N 3.25Å; D293-T297 PolarHBondContact O-OG1 3.06Å; M294-T297 PolarHBondContact O-N 3.14Å; T297-T299 PolarHBondContact O-N 3.36Å; T297-L300 PolarHBondContact O-N 3.5Å; T297-L301 HydrophobicContact CG2-CD1 3.49Å; T297-L301 VanDerWaalsContact CG2-CD1 3.49Å; T297-L301 HydrophobicContact CG2-CG 3.96Å; T297-L301 VanDerWaalsContact O-CB 3.26Å; T297-L301 WeakPolarHBondContact O-CB 3.35Å; T297-L301 VanDerWaalsContact O-CG 3.24Å; T297-L301 WeakPolarHBondContact O-CG 3.34Å; T297-L301 PolarHBondContact O-N 3.35Å; T297-M311 HydrophobicContact CG2-SD 4.04Å
298Y90.8Very high87Confident4 Ų454.1 Ų54.12%0.01628%0.279CS..Hα-helixtrans-59.2-45.7177.8173.1-103000111.8M294 A295 N296 L300 R302 L308 L358 N359 D361 F364M294-Y298 VanDerWaalsContact O-CB 3.29Å; M294-Y298 WeakPolarHBondContact O-CB 3.49Å; M294-Y298 PolarHBondContact O-N 3.31Å; A295-Y298 PolarHBondContact O-N 2.93Å; N296-Y298 PolarHBondContact O-N 3.34Å; Y298-L300 PolarHBondContact O-N 3Å; Y298-R302 WeakPolarHBondContact O-CB 3.38Å; Y298-R302 PolarHBondContact O-N 3.01Å; Y298-L308 HydrophobicContact CD2-CD2 3.98Å; Y298-L308 HydrophobicContact CE2-CD2 4.22Å; Y298-L358 HydrophobicContact CD2-CB 4.43Å; Y298-L358 HydrophobicContact CD2-CD2 3.88Å; Y298-L358 HydrophobicContact CG-CD2 3.83Å; Y298-N359 HydrophobicContact CE1-CB 4.35Å; Y298-D361 HydrophobicContact CE2-CB 4.05Å; Y298-D361 PolarHBondContact OH-OD2 2.92Å; Y298-F364 AromaticContact CD2-CE2 3.73Å; Y298-F364 HydrophobicContact CD2-CE2 3.73Å; Y298-F364 HydrophobicContact CD2-CZ 4.27Å; Y298-F364 HydrophobicContact CE2-CD2 4.26Å; Y298-F364 AromaticContact CE2-CE2 3.73Å; Y298-F364 HydrophobicContact CE2-CE2 3.73Å
299T90.1Very high87.2Confident71 Ų7152.1 Ų52.144%0.43628%0.277SS..Hα-helixtrans-62-44.5-179.7-57.50000111.6L240 A295 N296 T297L240-T299 HydrophobicContact CD2-CG2 4.05Å; A295-T299 WeakPolarHBondContact O-CB 3.42Å; A295-T299 PolarHBondContact O-N 3.5Å; A295-T299 PolarHBondContact O-OG1 3.33Å; N296-T299 PolarHBondContact O-N 3.29Å; T297-T299 PolarHBondContact O-N 3.36Å
300L89.1Confident87.4Confident6 Ų651.5 Ų51.53%0.03127%0.274CS..Hα-helixtrans-70.4-46.7179.4-69.2173.8000112.1M236 V239 L240 L243 V271 N296 T297 Y298 R302 A303M236-L300 HydrophobicContact CB-CD1 3.66Å; M236-L300 HydrophobicContact CG-CD1 3.63Å; M236-L300 HydrophobicContact SD-CD1 4.32Å; V239-L300 HydrophobicContact CG1-CD2 4.03Å; L240-L300 HydrophobicContact CD1-CG 4.46Å; L240-L300 HydrophobicContact CD2-CD2 3.49Å; L240-L300 VanDerWaalsContact CD2-CD2 3.49Å; L240-L300 HydrophobicContact CD2-CG 3.94Å; L240-L300 HydrophobicContact CG-CD1 4.32Å; L240-L300 HydrophobicContact CG-CD2 3.8Å; L240-L300 HydrophobicContact CG-CG 4.04Å; L243-L300 HydrophobicContact CD1-CD2 4.12Å; V271-L300 HydrophobicContact CG1-CB 4.07Å; V271-L300 HydrophobicContact CG2-CD2 3.92Å; N296-L300 WeakPolarHBondContact O-CG 3.36Å; N296-L300 PolarHBondContact O-N 3.27Å; T297-L300 PolarHBondContact O-N 3.5Å; Y298-L300 PolarHBondContact O-N 3Å; L300-R302 VanDerWaalsContact C-N 3.34Å; L300-R302 PolarHBondContact O-N 3.28Å; L300-A303 WeakPolarHBondContact O-CB 3.39Å; L300-A303 PolarHBondContact O-N 2.85Å
301L88Confident87.5Confident0 Ų047.6 Ų47.60%026%0.257CS..Hα-helixtrans-70.9-28.2-178.2-67.5-174.6000112.9L275 L278 T297 A303 V304 L308 M311L275-L301 HydrophobicContact CD1-CD2 3.36Å; L278-L301 HydrophobicContact CD1-CD2 4.31Å; T297-L301 HydrophobicContact CG2-CD1 3.49Å; T297-L301 VanDerWaalsContact CG2-CD1 3.49Å; T297-L301 HydrophobicContact CG2-CG 3.96Å; T297-L301 VanDerWaalsContact O-CB 3.26Å; T297-L301 WeakPolarHBondContact O-CB 3.35Å; T297-L301 VanDerWaalsContact O-CG 3.24Å; T297-L301 WeakPolarHBondContact O-CG 3.34Å; T297-L301 PolarHBondContact O-N 3.35Å; L301-A303 VanDerWaalsContact C-N 3.29Å; L301-A303 PolarHBondContact O-N 3.25Å; L301-V304 PolarHBondContact O-N 2.94Å; L301-L308 HydrophobicContact CB-CD2 3.93Å; L301-M311 HydrophobicContact CD1-CB 4.08Å; L301-M311 HydrophobicContact CD1-SD 4.2Å
302R88.5Confident87.7Confident151 Ų15142.8 Ų42.857%0.5724%0.241SC*.Hα-helixtrans-66.3-31.8173.7-179.9178177.5-172.1-1.6112.4Y298 L300 V304 L308Y298-R302 WeakPolarHBondContact O-CB 3.38Å; Y298-R302 PolarHBondContact O-N 3.01Å; L300-R302 VanDerWaalsContact C-N 3.34Å; L300-R302 PolarHBondContact O-N 3.28Å; R302-V304 PolarHBondContact O-N 3.33Å; R302-L308 HydrophobicContact CB-CD1 4.25Å; R302-L308 HydrophobicContact CB-CD2 4.29Å; R302-L308 HydrophobicContact CG-CD1 4.41Å
303A83.3Confident87.9Confident40 Ų4042.3 Ų42.333%0.33123%0.234SC..Hα-helixtrans-71.4-18.3177.500000112.7Q267 L300 L301Q267-A303 HydrophobicContact CG-CB 4.49Å; L300-A303 WeakPolarHBondContact O-CB 3.39Å; L300-A303 PolarHBondContact O-N 2.85Å; L301-A303 VanDerWaalsContact C-N 3.29Å; L301-A303 PolarHBondContact O-N 3.25Å
304V85.3Confident88Confident10 Ų1042.9 Ų42.96%0.06124%0.236CC..SBendtrans-103.4127-178.8-176.80000110V271 A272 L301 R302 N306 G307V271-V304 HydrophobicContact CB-CG2 4.06Å; V271-V304 HydrophobicContact CG1-CG2 3.84Å; A272-V304 HydrophobicContact CB-CG1 3.89Å; A272-V304 HydrophobicContact CB-CG2 4.34Å; L301-V304 PolarHBondContact O-N 2.94Å; R302-V304 PolarHBondContact O-N 3.33Å; V304-N306 PolarHBondContact O-N 3.48Å; V304-G307 PolarHBondContact O-N 2.83Å
305S74.6Confident88.2Confident107 Ų10742.8 Ų42.875%0.74824%0.236SC*.THydrogen-bonded Turntrans-59.4-14.6-173.634.60000115.8
306N80.6Confident88.3Confident119 Ų11944.6 Ų44.664%0.63624%0.239SC*.THydrogen-bonded Turntrans-12716.5175.6-69.7-33.6000113.7V304V304-N306 PolarHBondContact O-N 3.48Å
307G83.1Confident88.4Confident0 Ų046.1 Ų46.10%025%0.25CC..THydrogen-bonded Turntrans-76.6-45.4-174.300000114H279 V304H279-G307 PolarHBondContact NE2-O 2.75Å; V304-G307 PolarHBondContact O-N 2.83Å
308L88.7Confident88.5Confident27 Ų2747.5 Ų47.514%0.14126%0.256CS..Hα-helixtrans-69-35.2-171.1-64.1176.6000116.9Y298 L301 R302 H310 M311 I312 F364Y298-L308 HydrophobicContact CD2-CD2 3.98Å; Y298-L308 HydrophobicContact CE2-CD2 4.22Å; L301-L308 HydrophobicContact CB-CD2 3.93Å; R302-L308 HydrophobicContact CB-CD1 4.25Å; R302-L308 HydrophobicContact CB-CD2 4.29Å; R302-L308 HydrophobicContact CG-CD1 4.41Å; L308-H310 VanDerWaalsContact C-N 3.28Å; L308-H310 PolarHBondContact O-N 3.45Å; L308-H310 VanDerWaalsContact O-N 3.16Å; L308-M311 PolarHBondContact O-N 2.99Å; L308-I312 HydrophobicContact CB-CD1 4.01Å; L308-I312 VanDerWaalsContact O-CG1 3.31Å; L308-I312 WeakPolarHBondContact O-CG1 3.24Å; L308-I312 PolarHBondContact O-N 2.96Å; L308-F364 HydrophobicContact CD2-CE2 4.15Å; L308-F364 HydrophobicContact CD2-CZ 4.3Å
309P90.8Very high88.6Confident78 Ų7847.3 Ų47.351%0.50626%0.255SS..Hα-helixtrans-53.4-40.3-172.9-30.436.8000114.8I312 Q313P309-I312 PolarHBondContact O-N 3.48Å; P309-Q313 PolarHBondContact O-N 3.22Å
310H89Confident88.7Confident50 Ų5046 Ų4623%0.23124%0.244CC..Hα-helixtrans-65.8-46.4177.6-174.277.3000112H279 L308 I312 Q313 E314H279-H310 WeakPolarHBondContact CB-CD2 3.35Å; H279-H310 AromaticContact CD2-CD2 3.67Å; H279-H310 AromaticContact CD2-CG 3.87Å; H279-H310 VanDerWaalsContact CE1-CB 3.42Å; H279-H310 WeakPolarHBondContact CE1-CB 3.46Å; H279-H310 AromaticContact CG-CD2 3.44Å; H279-H310 VanDerWaalsContact CG-CD2 3.44Å; H279-H310 AromaticContact CG-CG 3.57Å; H279-H310 AromaticContact ND1-CG 3.69Å; H279-H310 WeakPolarHBondContact NE2-CB 3.35Å; H279-H310 PolarHBondContact O-NE2 3.41Å; L308-H310 VanDerWaalsContact C-N 3.28Å; L308-H310 PolarHBondContact O-N 3.45Å; L308-H310 VanDerWaalsContact O-N 3.16Å; H310-I312 VanDerWaalsContact C-N 3.28Å; H310-I312 PolarHBondContact O-N 3.09Å; H310-Q313 WeakPolarHBondContact O-CB 3.5Å; H310-Q313 PolarHBondContact O-N 2.86Å; H310-Q313 VanDerWaalsContact O-N 3.14Å; H310-E314 IonicContact CE1-OE1 3.28Å; H310-E314 IonicContact NE2-OE1 3.66Å; H310-E314 WeakPolarHBondContact O-CG 3.46Å; H310-E314 PolarHBondContact O-N 3.22Å
311M90.9Very high88.7Confident2 Ų249.8 Ų49.81%0.0126%0.264CS..Hα-helixtrans-61.4-38177.5-175.6179.3177.900111.9C282 I286 M294 T297 L301 L308 L315 L358 F364C282-M311 VanDerWaalsContact SG-CG 3.55Å; I286-M311 HydrophobicContact CD1-CG 4.26Å; M294-M311 HydrophobicContact CG-CE 3.55Å; M294-M311 HydrophobicContact SD-CE 4.31Å; T297-M311 HydrophobicContact CG2-SD 4.04Å; L301-M311 HydrophobicContact CD1-CB 4.08Å; L301-M311 HydrophobicContact CD1-SD 4.2Å; L308-M311 PolarHBondContact O-N 2.99Å; M311-L315 WeakPolarHBondContact O-CB 3.45Å; M311-L315 PolarHBondContact O-N 3.47Å; M311-L358 HydrophobicContact CE-CD2 3.49Å; M311-L358 VanDerWaalsContact CE-CD2 3.49Å; M311-F364 HydrophobicContact CB-CE1 4.36Å; M311-F364 HydrophobicContact CB-CZ 4.2Å; M311-F364 HydrophobicContact CE-CE1 4.33Å; M311-F364 HydrophobicContact CE-CZ 4.19Å; M311-F364 HydrophobicContact CG-CE1 3.8Å; M311-F364 HydrophobicContact CG-CZ 3.78Å; M311-F364 HydrophobicContact SD-CE1 4.25Å; M311-F364 HydrophobicContact SD-CZ 3.76Å
312I92.5Very high88.7Confident28 Ų2851.8 Ų51.814%0.14427%0.274CS..Hα-helixtrans-63.9-44.6175.5-64.9160.8000110.4L308 P309 H310 L315 Q316 H363 F364 A367L308-I312 HydrophobicContact CB-CD1 4.01Å; L308-I312 VanDerWaalsContact O-CG1 3.31Å; L308-I312 WeakPolarHBondContact O-CG1 3.24Å; L308-I312 PolarHBondContact O-N 2.96Å; P309-I312 PolarHBondContact O-N 3.48Å; H310-I312 VanDerWaalsContact C-N 3.28Å; H310-I312 PolarHBondContact O-N 3.09Å; I312-L315 PolarHBondContact O-N 3.26Å; I312-Q316 WeakPolarHBondContact O-CB 3.38Å; I312-Q316 PolarHBondContact O-N 3.35Å; I312-H363 HydrophobicContact CD1-CB 3.62Å; I312-H363 HydrophobicContact CG1-CB 4.39Å; I312-F364 HydrophobicContact CB-CE1 4.29Å; I312-F364 HydrophobicContact CG1-CD1 3.91Å; I312-F364 HydrophobicContact CG1-CD2 4.22Å; I312-F364 HydrophobicContact CG1-CE1 3.61Å; I312-F364 HydrophobicContact CG1-CE2 3.94Å; I312-F364 HydrophobicContact CG1-CG 4.25Å; I312-F364 HydrophobicContact CG1-CZ 3.65Å; I312-A367 HydrophobicContact CG2-CB 3.51Å
313Q92.1Very high88.7Confident116 Ų11644.7 Ų44.754%0.54225%0.247SC..Hα-helixtrans-63.9-46.6177.9-179.6176.6-13.200111.8P309 H310 L315 Q316 V317P309-Q313 PolarHBondContact O-N 3.22Å; H310-Q313 WeakPolarHBondContact O-CB 3.5Å; H310-Q313 PolarHBondContact O-N 2.86Å; H310-Q313 VanDerWaalsContact O-N 3.14Å; Q313-L315 VanDerWaalsContact C-N 3.34Å; Q313-L315 PolarHBondContact O-N 3.49Å; Q313-Q316 WeakPolarHBondContact O-CB 3.43Å; Q313-Q316 PolarHBondContact O-N 3.1Å; Q313-V317 WeakPolarHBondContact O-CG2 3.43Å; Q313-V317 PolarHBondContact O-N 3.38Å
314E91.1Very high88.7Confident27 Ų2744.4 Ų44.413%0.12624%0.24CC..Hα-helixtrans-63.2-40.1178-69.7-56.9136.900111.7Q283 I286 H310 V317 H318Q283-E314 HydrophobicContact CB-CG 4.49Å; Q283-E314 WeakPolarHBondContact CG-OE2 3.32Å; Q283-E314 PolarHBondContact NE2-OE2 2.9Å; I286-E314 HydrophobicContact CD1-CB 3.74Å; H310-E314 IonicContact CE1-OE1 3.28Å; H310-E314 IonicContact NE2-OE1 3.66Å; H310-E314 WeakPolarHBondContact O-CG 3.46Å; H310-E314 PolarHBondContact O-N 3.22Å; E314-V317 PolarHBondContact O-N 3.37Å; E314-H318 WeakPolarHBondContact O-CB 3.35Å; E314-H318 PolarHBondContact O-N 2.87Å
315L92.1Very high88.7Confident1 Ų152.8 Ų52.81%0.00527%0.27CS..Hα-helixtrans-63.8-43.7174.4-170.369.9000110.9I286 M311 I312 Q313 V317 H318 I319 F350 I354 L358 F364I286-L315 HydrophobicContact CD1-CB 4.15Å; I286-L315 HydrophobicContact CG2-CD1 3.78Å; M311-L315 WeakPolarHBondContact O-CB 3.45Å; M311-L315 PolarHBondContact O-N 3.47Å; I312-L315 PolarHBondContact O-N 3.26Å; Q313-L315 VanDerWaalsContact C-N 3.34Å; Q313-L315 PolarHBondContact O-N 3.49Å; L315-V317 VanDerWaalsContact C-N 3.33Å; L315-V317 PolarHBondContact O-N 3.31Å; L315-H318 PolarHBondContact O-N 3.35Å; L315-I319 HydrophobicContact CD1-CD1 4.38Å; L315-I319 HydrophobicContact CD1-CG1 4.49Å; L315-I319 HydrophobicContact CD2-CD1 4.11Å; L315-I319 HydrophobicContact CG-CD1 3.71Å; L315-I319 HydrophobicContact CG-CG1 4.25Å; L315-I319 WeakPolarHBondContact O-CB 3.04Å; L315-I319 WeakPolarHBondContact O-CD1 3.41Å; L315-I319 WeakPolarHBondContact O-CG1 3.39Å; L315-I319 PolarHBondContact O-N 2.95Å; L315-F350 HydrophobicContact CD1-CE1 4.46Å; L315-I354 HydrophobicContact CD2-CD1 4.47Å; L315-I354 HydrophobicContact CD2-CG1 4.3Å; L315-L358 HydrophobicContact CD2-CD1 4Å; L315-F364 HydrophobicContact CB-CD1 4.45Å; L315-F364 HydrophobicContact CD2-CB 4.44Å; L315-F364 HydrophobicContact CD2-CD1 3.55Å; L315-F364 HydrophobicContact CD2-CE1 4.27Å; L315-F364 HydrophobicContact CD2-CG 4.44Å
316Q93.8Very high88.8Confident67 Ų6749 Ų4931%0.31325%0.248SC..Hα-helixtrans-58.5-45.3177.1-168-177.3-43.700111.7I312 Q313 H320 A367 A371I312-Q316 WeakPolarHBondContact O-CB 3.38Å; I312-Q316 PolarHBondContact O-N 3.35Å; Q313-Q316 WeakPolarHBondContact O-CB 3.43Å; Q313-Q316 PolarHBondContact O-N 3.1Å; Q316-H320 WeakPolarHBondContact O-CB 3.27Å; Q316-H320 PolarHBondContact O-N 3.11Å; Q316-A367 HydrophobicContact CB-CB 4.2Å; Q316-A371 HydrophobicContact CG-CB 3.87Å; Q316-A371 WeakPolarHBondContact O-CB 3.39Å
317V92.7Very high88.5Confident63 Ų6344.3 Ų44.338%0.38222%0.224SC..Hα-helixtrans-64.9-42.6177.8171.10000110.9Q313 E314 L315 H320 N321Q313-V317 WeakPolarHBondContact O-CG2 3.43Å; Q313-V317 PolarHBondContact O-N 3.38Å; E314-V317 PolarHBondContact O-N 3.37Å; L315-V317 VanDerWaalsContact C-N 3.33Å; L315-V317 PolarHBondContact O-N 3.31Å; V317-H320 PolarHBondContact O-N 2.96Å; V317-N321 WeakPolarHBondContact O-CB 3.44Å; V317-N321 VanDerWaalsContact O-CG 3.26Å; V317-N321 PolarHBondContact O-N 3.27Å; V317-N321 PolarHBondContact O-ND2 2.9Å
318H92.4Very high87.8Confident31 Ų3147.7 Ų47.714%0.14425%0.248CC..Hα-helixtrans-62.9-48.7177.9-179.465.9000112.1I286 E314 L315 H320 N321 E322 F350I286-H318 HydrophobicContact CG2-CB 3.6Å; E314-H318 WeakPolarHBondContact O-CB 3.35Å; E314-H318 PolarHBondContact O-N 2.87Å; L315-H318 PolarHBondContact O-N 3.35Å; H318-H320 VanDerWaalsContact C-N 3.29Å; H318-H320 PolarHBondContact O-N 3.23Å; H318-N321 PolarHBondContact O-N 3.29Å; H318-E322 IonicContact NE2-OE2 2.59Å; H318-E322 WeakPolarHBondContact O-CB 3.44Å; H318-E322 PolarHBondContact O-N 3.49Å; H318-F350 AromaticContact CD2-CE1 3.78Å; H318-F350 AromaticContact CD2-CZ 3.63Å; H318-F350 AromaticContact NE2-CZ 3.86Å
319I92.3Very high86.6Confident0 Ų052.8 Ų52.80%028%0.275CS..Hα-helixtrans-58-44176-65.7164.1000110.5L315 E322 G323 F350 L368 A371 L372L315-I319 HydrophobicContact CD1-CD1 4.38Å; L315-I319 HydrophobicContact CD1-CG1 4.49Å; L315-I319 HydrophobicContact CD2-CD1 4.11Å; L315-I319 HydrophobicContact CG-CD1 3.71Å; L315-I319 HydrophobicContact CG-CG1 4.25Å; L315-I319 WeakPolarHBondContact O-CB 3.04Å; L315-I319 WeakPolarHBondContact O-CD1 3.41Å; L315-I319 WeakPolarHBondContact O-CG1 3.39Å; L315-I319 PolarHBondContact O-N 2.95Å; I319-E322 PolarHBondContact O-N 2.92Å; I319-G323 PolarHBondContact O-N 3.3Å; I319-F350 HydrophobicContact CB-CD2 4.31Å; I319-F350 HydrophobicContact CB-CE2 4.15Å; I319-F350 HydrophobicContact CB-CZ 4.42Å; I319-F350 HydrophobicContact CD1-CB 4.47Å; I319-F350 HydrophobicContact CD1-CD1 4.23Å; I319-F350 HydrophobicContact CD1-CG 4.19Å; I319-F350 HydrophobicContact CG1-CB 4.47Å; I319-F350 HydrophobicContact CG1-CD1 3.71Å; I319-F350 HydrophobicContact CG1-CD2 3.74Å; I319-F350 HydrophobicContact CG1-CE1 3.75Å; I319-F350 HydrophobicContact CG1-CE2 3.76Å; I319-F350 HydrophobicContact CG1-CG 3.71Å; I319-F350 HydrophobicContact CG1-CZ 3.75Å; I319-F350 HydrophobicContact CG2-CD2 4.02Å; I319-F350 HydrophobicContact CG2-CE2 4.18Å; I319-L368 HydrophobicContact CD1-CB 4.06Å; I319-L368 HydrophobicContact CD1-CD1 3.84Å; I319-L368 HydrophobicContact CG1-CD1 4.45Å; I319-L368 HydrophobicContact CG2-CD1 3.82Å; I319-A371 HydrophobicContact CB-CB 3.76Å; I319-A371 HydrophobicContact CG2-CB 3.52Å; I319-L372 HydrophobicContact CG2-CG 4.45Å
320H91.3Very high85.4Confident43 Ų4350.7 Ų50.720%0.19926%0.259CS..Hα-helixtrans-60.7-49.8178.2-177.474.9000111.4Q316 V317 H318 E322 G323 I324 A371 S374Q316-H320 WeakPolarHBondContact O-CB 3.27Å; Q316-H320 PolarHBondContact O-N 3.11Å; V317-H320 PolarHBondContact O-N 2.96Å; H318-H320 VanDerWaalsContact C-N 3.29Å; H318-H320 PolarHBondContact O-N 3.23Å; H320-E322 VanDerWaalsContact C-N 3.35Å; H320-E322 PolarHBondContact O-N 3.49Å; H320-G323 PolarHBondContact O-N 3.48Å; H320-I324 WeakPolarHBondContact O-CG1 3.48Å; H320-I324 PolarHBondContact O-N 2.99Å; H320-A371 HydrophobicContact CB-CB 4.46Å; H320-S374 PolarHBondContact CE1-OG 2.94Å
321N90.1Very high83.7Confident85 Ų8552.5 Ų52.546%0.45528%0.277SS..Hα-helixtrans-63.2-39.7179.6-71.7-28.2000112.5V317 H318 R325V317-N321 WeakPolarHBondContact O-CB 3.44Å; V317-N321 VanDerWaalsContact O-CG 3.26Å; V317-N321 PolarHBondContact O-N 3.27Å; V317-N321 PolarHBondContact O-ND2 2.9Å; H318-N321 PolarHBondContact O-N 3.29Å; N321-R325 WeakPolarHBondContact O-CB 3.23Å; N321-R325 VanDerWaalsContact O-CG 3.26Å; N321-R325 WeakPolarHBondContact O-CG 3.42Å; N321-R325 PolarHBondContact O-N 3.45Å
322E88.6Confident82.3Confident43 Ų4361.2 Ų61.220%0.20132%0.318CS..Hα-helixtrans-66.8-43.1175.8-169.7171.9168.300111.6H318 I319 H320 I324 R325 G326 K349 F350H318-E322 IonicContact NE2-OE2 2.59Å; H318-E322 WeakPolarHBondContact O-CB 3.44Å; H318-E322 PolarHBondContact O-N 3.49Å; I319-E322 PolarHBondContact O-N 2.92Å; H320-E322 VanDerWaalsContact C-N 3.35Å; H320-E322 PolarHBondContact O-N 3.49Å; E322-I324 PolarHBondContact O-N 3.3Å; E322-R325 PolarHBondContact O-N 2.94Å; E322-G326 PolarHBondContact O-N 3.48Å; E322-K349 IonicContact OE1-NZ 3.67Å; E322-K349 PolarHBondContact OE1-NZ 3.35Å; E322-K349 IonicContact OE2-NZ 3.01Å; E322-K349 PolarHBondContact OE2-NZ 2.62Å; E322-F350 HydrophobicContact CB-CE2 4.29Å; E322-F350 HydrophobicContact CB-CZ 4.47Å; E322-F350 HydrophobicContact CG-CE2 4.48Å; E322-F350 WeakPolarHBondContact OE2-CE2 3.47Å; E322-F350 WeakPolarHBondContact OE2-CZ 3.48Å
323G87Confident80.4Confident2 Ų268.8 Ų68.82%0.02135%0.353CS..Hα-helixtrans-61.7-42.617600000113.3I319 H320 G326 T327I319-G323 PolarHBondContact O-N 3.3Å; H320-G323 PolarHBondContact O-N 3.48Å; G323-G326 PolarHBondContact O-N 2.82Å; G323-T327 WeakPolarHBondContact O-CB 3.36Å; G323-T327 WeakPolarHBondContact O-CG2 3.26Å; G323-T327 PolarHBondContact O-N 2.96Å; G323-T327 VanDerWaalsContact O-N 3.07Å; G323-T327 PolarHBondContact O-OG1 3.14Å
324I84.7Confident79Confident33 Ų3368.4 Ų68.417%0.16936%0.355CS..Hα-helixtrans-63.7-46174.7-64.8-59.7000110.6H320 E322 G326 T327 S328 V375 F378H320-I324 WeakPolarHBondContact O-CG1 3.48Å; H320-I324 PolarHBondContact O-N 2.99Å; E322-I324 PolarHBondContact O-N 3.3Å; I324-G326 VanDerWaalsContact C-N 3.29Å; I324-G326 PolarHBondContact O-N 2.85Å; I324-T327 PolarHBondContact O-N 3.44Å; I324-T327 VanDerWaalsContact O-N 3.12Å; I324-T327 PolarHBondContact O-OG1 2.97Å; I324-S328 VanDerWaalsContact O-CB 3.26Å; I324-S328 WeakPolarHBondContact O-CB 3.46Å; I324-S328 PolarHBondContact O-N 3.28Å; I324-S328 PolarHBondContact O-OG 3.41Å; I324-S328 VanDerWaalsContact O-OG 3.06Å; I324-V375 HydrophobicContact CD1-CG1 4.4Å; I324-V375 HydrophobicContact CD1-CG2 4.42Å; I324-V375 HydrophobicContact CG1-CG2 4.43Å; I324-F378 HydrophobicContact CD1-CB 3.61Å; I324-F378 HydrophobicContact CD1-CD1 3.68Å; I324-F378 HydrophobicContact CD1-CD2 3.72Å; I324-F378 HydrophobicContact CD1-CE1 4.26Å; I324-F378 HydrophobicContact CD1-CE2 4.3Å; I324-F378 HydrophobicContact CD1-CG 3.37Å
325R83.7Confident78.1Confident186 Ų18669.4 Ų69.470%0.70236%0.36SS*.Hα-helixtrans-59.9-38.4177.5-75.4174.563.9-159.2-2.6112.9N321 E322 T327N321-R325 WeakPolarHBondContact O-CB 3.23Å; N321-R325 VanDerWaalsContact O-CG 3.26Å; N321-R325 WeakPolarHBondContact O-CG 3.42Å; N321-R325 PolarHBondContact O-N 3.45Å; E322-R325 PolarHBondContact O-N 2.94Å; R325-T327 VanDerWaalsContact C-N 3.35Å
326G76.9Confident77.5Confident27 Ų2770.2 Ų70.228%0.27837%0.365SS..Hα-helixtrans-70.2-29.3176.800000113.5E322 G323 I324 S342E322-G326 PolarHBondContact O-N 3.48Å; G323-G326 PolarHBondContact O-N 2.82Å; I324-G326 VanDerWaalsContact C-N 3.29Å; I324-G326 PolarHBondContact O-N 2.85Å; G326-S342 PolarHBondContact O-OG 2.88Å
327T75.1Confident77Confident21 Ų2169.1 Ų69.113%0.12936%0.363CS..Hα-helixtrans-100.4-22.5-174.853.80000114.7G323 I324 R325 F339 V343 V375G323-T327 WeakPolarHBondContact O-CB 3.36Å; G323-T327 WeakPolarHBondContact O-CG2 3.26Å; G323-T327 PolarHBondContact O-N 2.96Å; G323-T327 VanDerWaalsContact O-N 3.07Å; G323-T327 PolarHBondContact O-OG1 3.14Å; I324-T327 PolarHBondContact O-N 3.44Å; I324-T327 VanDerWaalsContact O-N 3.12Å; I324-T327 PolarHBondContact O-OG1 2.97Å; R325-T327 VanDerWaalsContact C-N 3.35Å; T327-F339 HydrophobicContact CG2-CD2 3.92Å; T327-F339 HydrophobicContact CG2-CE2 3.87Å; T327-V343 HydrophobicContact CG2-CG2 3.78Å; T327-V375 HydrophobicContact CG2-CG1 4.36Å
328S67.6Low76.5Confident72 Ų7269 Ų6950%0.50336%0.36SS..Hα-helixtrans-78.6-24.9-176.365.10000114.4I324 L330I324-S328 VanDerWaalsContact O-CB 3.26Å; I324-S328 WeakPolarHBondContact O-CB 3.46Å; I324-S328 PolarHBondContact O-N 3.28Å; I324-S328 PolarHBondContact O-OG 3.41Å; I324-S328 VanDerWaalsContact O-OG 3.06Å; S328-L330 PolarHBondContact O-N 2.87Å
329N63.8Low76.1Confident133 Ų13368.3 Ų68.371%0.71136%0.357SS*.THydrogen-bonded Turntrans-96.820.1-169.6-67.7-10.4000114.1
330L65.1Low75.8Confident34 Ų3468.3 Ų68.318%0.17836%0.357CS..  trans-86.9137.6-170.1-59.7180000112.5S328 M335 L338 F339S328-L330 PolarHBondContact O-N 2.87Å; L330-M335 HydrophobicContact CB-CE 3.85Å; L330-M335 HydrophobicContact CB-SD 3.35Å; L330-M335 WeakPolarHBondContact CB-SD 3.42Å; L330-L338 HydrophobicContact CD1-CB 4.06Å; L330-L338 HydrophobicContact CD2-CB 3.8Å; L330-L338 HydrophobicContact CD2-CD1 4.44Å; L330-L338 HydrophobicContact CG-CB 4.39Å; L330-F339 VanDerWaalsContact CD1-CA 3.47Å; L330-F339 HydrophobicContact CD1-CB 3.93Å
331S54.5Low75.5Confident88 Ų8869.7 Ų69.762%0.61536%0.363SS*.  trans-76.6139.4179.4-59.10000112.7E333 N334 M335S331-E333 VanDerWaalsContact C-N 3.3Å; S331-E333 PolarHBondContact O-N 3.32Å; S331-E333 VanDerWaalsContact O-N 3.09Å; S331-N334 PolarHBondContact O-N 3.05Å; S331-M335 VanDerWaalsContact C-SD 3.6Å; S331-M335 VanDerWaalsContact O-CG 3.24Å; S331-M335 WeakPolarHBondContact O-CG 3.45Å; S331-M335 PolarHBondContact O-N 2.91Å
332Q60.8Low75.4Confident185 Ų18566.6 Ų66.686%0.86435%0.348SS*.THydrogen-bonded Turntrans-56.2-29.9-169.8-70.1-172.10.100116.1M335Q332-M335 VanDerWaalsContact CA-CG 3.49Å; Q332-M335 WeakPolarHBondContact O-CG 3.46Å
333E52.1Low75.3Confident187 Ų18764.7 Ų64.787%0.87434%0.339SS*.THydrogen-bonded Turntrans-76.6-32.1-172.3-67.9-171.4152.400114.4S331S331-E333 VanDerWaalsContact C-N 3.3Å; S331-E333 PolarHBondContact O-N 3.32Å; S331-E333 VanDerWaalsContact O-N 3.09Å
334N62.6Low75.4Confident108 Ų10866.1 Ų66.158%0.57835%0.347SS*.SBendtrans-116.819.7-178.6-73.7-18.1000113.3S331 P336 T337 L338S331-N334 PolarHBondContact O-N 3.05Å; N334-P336 VanDerWaalsContact C-CD 3.44Å; N334-T337 PolarHBondContact O-N 3.47Å; N334-L338 HydrophobicContact CB-CD1 3.83Å; N334-L338 HydrophobicContact CB-CG 4.08Å; N334-L338 PolarHBondContact O-N 3.16Å; N334-L338 VanDerWaalsContact O-N 3.11Å
335M73.6Confident75.7Confident48 Ų4871.1 Ų71.124%0.23637%0.369CS..Hα-helixtrans-47.2-45.5-174.6-72.8-64.2-67.900115.2L330 S331 Q332 F339 L390L330-M335 HydrophobicContact CB-CE 3.85Å; L330-M335 HydrophobicContact CB-SD 3.35Å; L330-M335 WeakPolarHBondContact CB-SD 3.42Å; S331-M335 VanDerWaalsContact C-SD 3.6Å; S331-M335 VanDerWaalsContact O-CG 3.24Å; S331-M335 WeakPolarHBondContact O-CG 3.45Å; S331-M335 PolarHBondContact O-N 2.91Å; Q332-M335 VanDerWaalsContact CA-CG 3.49Å; Q332-M335 WeakPolarHBondContact O-CG 3.46Å; M335-F339 WeakPolarHBondContact O-CB 3.47Å; M335-F339 PolarHBondContact O-N 2.97Å; M335-L390 HydrophobicContact CB-CD2 4.12Å
336P79.4Confident76Confident18 Ų1862.7 Ų62.712%0.11734%0.339CS..Hα-helixtrans-64.3-44.2-176.6-23.635.9000113.4N334 V340 L390 K393N334-P336 VanDerWaalsContact C-CD 3.44Å; P336-V340 WeakPolarHBondContact O-CG2 3.5Å; P336-V340 PolarHBondContact O-N 3.36Å; P336-L390 HydrophobicContact CB-CD2 4.49Å; P336-L390 HydrophobicContact CG-CD2 3.99Å; P336-K393 HydrophobicContact CB-CB 4.09Å; P336-K393 HydrophobicContact CG-CB 3.95Å; P336-K393 HydrophobicContact CG-CD 4.35Å
337T82.5Confident76.7Confident44 Ų4463.2 Ų63.227%0.2733%0.334SS..Hα-helixtrans-70-51.2-178.4-59.90000111N334 F339 V340 E341 Y394N334-T337 PolarHBondContact O-N 3.47Å; T337-F339 VanDerWaalsContact C-N 3.28Å; T337-F339 PolarHBondContact O-N 3.44Å; T337-V340 PolarHBondContact O-N 3.04Å; T337-E341 HydrophobicContact CG2-CG 4.4Å; T337-E341 WeakPolarHBondContact O-CB 3.38Å; T337-E341 WeakPolarHBondContact O-CG 3.35Å; T337-E341 PolarHBondContact O-N 3.45Å; T337-Y394 HydrophobicContact CG2-CE2 4.02Å
338L82.6Confident77.6Confident60 Ų6064.9 Ų64.931%0.31435%0.346SS..Hα-helixtrans-61.8-39.2-179.8-64.7172.5000111.4L330 N334 S342L330-L338 HydrophobicContact CD1-CB 4.06Å; L330-L338 HydrophobicContact CD2-CB 3.8Å; L330-L338 HydrophobicContact CD2-CD1 4.44Å; L330-L338 HydrophobicContact CG-CB 4.39Å; N334-L338 HydrophobicContact CB-CD1 3.83Å; N334-L338 HydrophobicContact CB-CG 4.08Å; N334-L338 PolarHBondContact O-N 3.16Å; N334-L338 VanDerWaalsContact O-N 3.11Å; L338-S342 VanDerWaalsContact O-CB 3.28Å; L338-S342 WeakPolarHBondContact O-CB 3.18Å; L338-S342 PolarHBondContact O-N 3.45Å; L338-S342 PolarHBondContact O-OG 3.21Å
339F84.3Confident78.7Confident17 Ų1764.3 Ų64.38%0.07533%0.334CS..Hα-helixtrans-60.7-50.3178175.1-99.5000112.2T327 L330 M335 T337 V343 A387 L390T327-F339 HydrophobicContact CG2-CD2 3.92Å; T327-F339 HydrophobicContact CG2-CE2 3.87Å; L330-F339 VanDerWaalsContact CD1-CA 3.47Å; L330-F339 HydrophobicContact CD1-CB 3.93Å; M335-F339 WeakPolarHBondContact O-CB 3.47Å; M335-F339 PolarHBondContact O-N 2.97Å; T337-F339 VanDerWaalsContact C-N 3.28Å; T337-F339 PolarHBondContact O-N 3.44Å; F339-V343 HydrophobicContact CE1-CG2 4.45Å; F339-V343 HydrophobicContact CE2-CG2 4.28Å; F339-V343 HydrophobicContact CZ-CG2 4.18Å; F339-V343 WeakPolarHBondContact O-CG2 3.47Å; F339-V343 PolarHBondContact O-N 3.25Å; F339-V343 VanDerWaalsContact O-N 3.1Å; F339-A387 HydrophobicContact CE1-CB 3.93Å; F339-A387 HydrophobicContact CZ-CB 3.7Å; F339-L390 HydrophobicContact CB-CD1 4.41Å; F339-L390 HydrophobicContact CD1-CB 4.37Å; F339-L390 HydrophobicContact CD1-CD1 4.39Å; F339-L390 HydrophobicContact CG-CD1 4.18Å
340V84.9Confident80.1Confident0 Ų058 Ų580%030%0.3CS..Hα-helixtrans-67.5-42.6-178.4177.60000110.9P336 T337 V343 L344 L391 Y394 V421P336-V340 WeakPolarHBondContact O-CG2 3.5Å; P336-V340 PolarHBondContact O-N 3.36Å; T337-V340 PolarHBondContact O-N 3.04Å; V340-V343 PolarHBondContact O-N 3.46Å; V340-L344 HydrophobicContact CG1-CD1 3.9Å; V340-L344 HydrophobicContact CG1-CG 4.33Å; V340-L344 WeakPolarHBondContact O-CB 3.46Å; V340-L344 VanDerWaalsContact O-CG 3.27Å; V340-L344 WeakPolarHBondContact O-CG 3.48Å; V340-L344 PolarHBondContact O-N 3.17Å; V340-L391 HydrophobicContact CG1-CD1 4.43Å; V340-L391 HydrophobicContact CG2-CD1 3.57Å; V340-Y394 HydrophobicContact CB-CD1 4.05Å; V340-Y394 HydrophobicContact CB-CD2 4.35Å; V340-Y394 HydrophobicContact CB-CE1 4.1Å; V340-Y394 HydrophobicContact CB-CE2 4.39Å; V340-Y394 HydrophobicContact CB-CG 4.15Å; V340-Y394 HydrophobicContact CG1-CD1 3.9Å; V340-Y394 HydrophobicContact CG1-CE1 3.64Å; V340-Y394 HydrophobicContact CG1-CG 4.49Å; V340-Y394 HydrophobicContact CG2-CD1 3.87Å; V340-Y394 HydrophobicContact CG2-CD2 4.39Å; V340-Y394 HydrophobicContact CG2-CE1 4.42Å; V340-Y394 HydrophobicContact CG2-CG 3.82Å; V340-V421 HydrophobicContact CG1-CG2 4.45Å
341E86.4Confident81.4Confident73 Ų7357.7 Ų57.734%0.34130%0.3SS..Hα-helixtrans-64.8-41.4179.1-71-179.7169.100111.8T337 V343 L344 E345 K414T337-E341 HydrophobicContact CG2-CG 4.4Å; T337-E341 WeakPolarHBondContact O-CB 3.38Å; T337-E341 WeakPolarHBondContact O-CG 3.35Å; T337-E341 PolarHBondContact O-N 3.45Å; E341-V343 PolarHBondContact O-N 3.44Å; E341-L344 PolarHBondContact O-N 3Å; E341-E345 WeakPolarHBondContact O-CB 3.25Å; E341-E345 PolarHBondContact O-N 2.61Å; E341-K414 IonicContact OE1-NZ 2.7Å; E341-K414 PolarHBondContact OE1-NZ 3.31Å
342S86.6Confident83.3Confident19 Ų1958.8 Ų58.813%0.13330%0.295CS..Hα-helixtrans-64.2-40.2174.8-63.70000112.8G326 L338 L344 E345 V346G326-S342 PolarHBondContact O-OG 2.88Å; L338-S342 VanDerWaalsContact O-CB 3.28Å; L338-S342 WeakPolarHBondContact O-CB 3.18Å; L338-S342 PolarHBondContact O-N 3.45Å; L338-S342 PolarHBondContact O-OG 3.21Å; S342-L344 VanDerWaalsContact C-N 3.35Å; S342-E345 PolarHBondContact O-N 3.29Å; S342-V346 VanDerWaalsContact O-CG2 3.3Å; S342-V346 WeakPolarHBondContact O-CG2 3.3Å; S342-V346 PolarHBondContact O-N 3.41Å; S342-V346 VanDerWaalsContact O-N 3.1Å
343V88.2Confident84.7Confident3 Ų350.3 Ų50.32%0.01826%0.256CS..Hα-helixtrans-65-41.1175.3173.90000111T327 F339 V340 E341 H347 V376 V421T327-V343 HydrophobicContact CG2-CG2 3.78Å; F339-V343 HydrophobicContact CE1-CG2 4.45Å; F339-V343 HydrophobicContact CE2-CG2 4.28Å; F339-V343 HydrophobicContact CZ-CG2 4.18Å; F339-V343 WeakPolarHBondContact O-CG2 3.47Å; F339-V343 PolarHBondContact O-N 3.25Å; F339-V343 VanDerWaalsContact O-N 3.1Å; V340-V343 PolarHBondContact O-N 3.46Å; E341-V343 PolarHBondContact O-N 3.44Å; V343-H347 WeakPolarHBondContact O-CB 3.28Å; V343-H347 PolarHBondContact O-N 3.1Å; V343-V376 HydrophobicContact CG1-CG2 3.84Å; V343-V376 HydrophobicContact CG2-CG2 4.34Å; V343-V421 HydrophobicContact CB-CG2 4.43Å; V343-V421 HydrophobicContact CG1-CG1 4.02Å; V343-V421 HydrophobicContact CG1-CG2 3.89Å
344L89Confident86.7Confident33 Ų3341.4 Ų41.417%0.17321%0.214CC..Hα-helixtrans-67-38.2177.6-73.6174.9000112.8V340 E341 S342 H347 S348 S417 V421V340-L344 HydrophobicContact CG1-CD1 3.9Å; V340-L344 HydrophobicContact CG1-CG 4.33Å; V340-L344 WeakPolarHBondContact O-CB 3.46Å; V340-L344 VanDerWaalsContact O-CG 3.27Å; V340-L344 WeakPolarHBondContact O-CG 3.48Å; V340-L344 PolarHBondContact O-N 3.17Å; E341-L344 PolarHBondContact O-N 3Å; S342-L344 VanDerWaalsContact C-N 3.35Å; L344-H347 PolarHBondContact O-N 3.22Å; L344-S348 WeakPolarHBondContact O-CB 3.2Å; L344-S348 PolarHBondContact O-N 3.28Å; L344-S417 WeakPolarHBondContact CD2-O 3.31Å; L344-V421 HydrophobicContact CD2-CG2 3.53Å; L344-V421 HydrophobicContact CG-CG2 3.8Å
345E90.4Very high88.2Confident137 Ų13740.4 Ų40.464%0.6421%0.209SC*.Hα-helixtrans-60.8-50.5175.5-176.9179.4-172.800110.6E341 S342 H347 S348 K349E341-E345 WeakPolarHBondContact O-CB 3.25Å; E341-E345 PolarHBondContact O-N 2.61Å; S342-E345 PolarHBondContact O-N 3.29Å; E345-H347 PolarHBondContact O-N 3.05Å; E345-S348 PolarHBondContact O-N 3.12Å; E345-K349 VanDerWaalsContact O-CB 3.31Å; E345-K349 WeakPolarHBondContact O-CB 3.39Å; E345-K349 PolarHBondContact O-N 3.16Å
346V90.6Very high88.9Confident10 Ų1042.2 Ų42.26%0.06122%0.223CC..Hα-helixtrans-60.3-46.2176.8174.90000110.7S342 F350 L372S342-V346 VanDerWaalsContact O-CG2 3.3Å; S342-V346 WeakPolarHBondContact O-CG2 3.3Å; S342-V346 PolarHBondContact O-N 3.41Å; S342-V346 VanDerWaalsContact O-N 3.1Å; V346-F350 HydrophobicContact CG1-CD2 3.73Å; V346-F350 HydrophobicContact CG1-CE2 3.85Å; V346-F350 VanDerWaalsContact O-CD2 3.25Å; V346-F350 WeakPolarHBondContact O-CD2 3.43Å; V346-F350 PolarHBondContact O-N 2.96Å; V346-F350 VanDerWaalsContact O-N 3.12Å; V346-L372 HydrophobicContact CG1-CD2 3.96Å
347H91.7Very high89.5Confident38 Ų3841.9 Ų41.918%0.17622%0.221CC..Hα-helixtrans-58.2-51.6176.1173.5-84.9000111.9V343 L344 E345 K349 F350 V351 L372 Y424V343-H347 WeakPolarHBondContact O-CB 3.28Å; V343-H347 PolarHBondContact O-N 3.1Å; L344-H347 PolarHBondContact O-N 3.22Å; E345-H347 PolarHBondContact O-N 3.05Å; H347-K349 PolarHBondContact O-N 3.28Å; H347-F350 PolarHBondContact O-N 3.34Å; H347-V351 WeakPolarHBondContact O-CB 3.38Å; H347-V351 VanDerWaalsContact O-CG2 3.28Å; H347-V351 WeakPolarHBondContact O-CG2 3.46Å; H347-V351 PolarHBondContact O-N 3.44Å; H347-L372 HydrophobicContact CB-CD1 3.71Å; H347-Y424 AromaticContact CD2-CE2 3.88Å; H347-Y424 PolarHBondContact CD2-OH 3.04Å; H347-Y424 VanDerWaalsContact CD2-OH 3.3Å; H347-Y424 PolarHBondContact NE2-OH 3.34Å
348S92.2Very high89.9Confident55 Ų5539.8 Ų39.839%0.38521%0.208SC..Hα-helixtrans-61.6-45.1-178.3-171.50000112L344 E345 F350 V351 Q352L344-S348 WeakPolarHBondContact O-CB 3.2Å; L344-S348 PolarHBondContact O-N 3.28Å; E345-S348 PolarHBondContact O-N 3.12Å; S348-F350 PolarHBondContact O-N 2.9Å; S348-V351 PolarHBondContact O-N 3.22Å; S348-Q352 WeakPolarHBondContact O-CB 3.28Å; S348-Q352 VanDerWaalsContact O-CG 3.27Å; S348-Q352 WeakPolarHBondContact O-CG 3.42Å; S348-Q352 PolarHBondContact O-N 3.06Å; S348-Q352 PolarHBondContact OG-NE2 3.47Å
349K92.3Very high90.2Very high60 Ų6042.2 Ų42.226%0.26122%0.221SC..Hα-helixtrans-55.4-51177.3179-174.3173.1-169.80111.4E289 E322 E345 H347 Q352 L353E289-K349 WeakPolarHBondContact OE1-CE 3.33Å; E289-K349 IonicContact OE1-NZ 3.87Å; E289-K349 PolarHBondContact OE1-NZ 3.03Å; E289-K349 WeakPolarHBondContact OE2-CE 3.36Å; E289-K349 IonicContact OE2-NZ 2.7Å; E289-K349 PolarHBondContact OE2-NZ 2.96Å; E322-K349 IonicContact OE1-NZ 3.67Å; E322-K349 PolarHBondContact OE1-NZ 3.35Å; E322-K349 IonicContact OE2-NZ 3.01Å; E322-K349 PolarHBondContact OE2-NZ 2.62Å; E345-K349 VanDerWaalsContact O-CB 3.31Å; E345-K349 WeakPolarHBondContact O-CB 3.39Å; E345-K349 PolarHBondContact O-N 3.16Å; H347-K349 PolarHBondContact O-N 3.28Å; K349-Q352 PolarHBondContact O-N 3.14Å; K349-L353 WeakPolarHBondContact O-CB 3.37Å; K349-L353 PolarHBondContact O-N 3.46Å
350F92Very high90.5Very high0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-76.8-31.8-176.5-75.1-64.9000113.6L315 H318 I319 E322 V346 H347 S348 Q352 L353 I354 L368L315-F350 HydrophobicContact CD1-CE1 4.46Å; H318-F350 AromaticContact CD2-CE1 3.78Å; H318-F350 AromaticContact CD2-CZ 3.63Å; H318-F350 AromaticContact NE2-CZ 3.86Å; I319-F350 HydrophobicContact CB-CD2 4.31Å; I319-F350 HydrophobicContact CB-CE2 4.15Å; I319-F350 HydrophobicContact CB-CZ 4.42Å; I319-F350 HydrophobicContact CD1-CB 4.47Å; I319-F350 HydrophobicContact CD1-CD1 4.23Å; I319-F350 HydrophobicContact CD1-CG 4.19Å; I319-F350 HydrophobicContact CG1-CB 4.47Å; I319-F350 HydrophobicContact CG1-CD1 3.71Å; I319-F350 HydrophobicContact CG1-CD2 3.74Å; I319-F350 HydrophobicContact CG1-CE1 3.75Å; I319-F350 HydrophobicContact CG1-CE2 3.76Å; I319-F350 HydrophobicContact CG1-CG 3.71Å; I319-F350 HydrophobicContact CG1-CZ 3.75Å; I319-F350 HydrophobicContact CG2-CD2 4.02Å; I319-F350 HydrophobicContact CG2-CE2 4.18Å; E322-F350 HydrophobicContact CB-CE2 4.29Å; E322-F350 HydrophobicContact CB-CZ 4.47Å; E322-F350 HydrophobicContact CG-CE2 4.48Å; E322-F350 WeakPolarHBondContact OE2-CE2 3.47Å; E322-F350 WeakPolarHBondContact OE2-CZ 3.48Å; V346-F350 HydrophobicContact CG1-CD2 3.73Å; V346-F350 HydrophobicContact CG1-CE2 3.85Å; V346-F350 VanDerWaalsContact O-CD2 3.25Å; V346-F350 WeakPolarHBondContact O-CD2 3.43Å; V346-F350 PolarHBondContact O-N 2.96Å; V346-F350 VanDerWaalsContact O-N 3.12Å; H347-F350 PolarHBondContact O-N 3.34Å; S348-F350 PolarHBondContact O-N 2.9Å; F350-Q352 VanDerWaalsContact C-N 3.33Å; F350-L353 HydrophobicContact CD1-CD2 3.78Å; F350-L353 HydrophobicContact CE1-CD2 3.99Å; F350-L353 PolarHBondContact O-N 2.9Å; F350-I354 WeakPolarHBondContact O-CB 3.37Å; F350-I354 WeakPolarHBondContact O-CD1 3.31Å; F350-I354 WeakPolarHBondContact O-CG1 3.42Å; F350-I354 PolarHBondContact O-N 2.98Å; F350-L368 HydrophobicContact CB-CD1 3.64Å; F350-L368 HydrophobicContact CB-CD2 4.23Å; F350-L368 HydrophobicContact CG-CD1 4.38Å
351V93.3Very high90.8Very high29 Ų2943.4 Ų43.418%0.17623%0.233CC..Hα-helixtrans-60.7-45169.8168.80000110.5H347 S348 I354 N355 M365 L368H347-V351 WeakPolarHBondContact O-CB 3.38Å; H347-V351 VanDerWaalsContact O-CG2 3.28Å; H347-V351 WeakPolarHBondContact O-CG2 3.46Å; H347-V351 PolarHBondContact O-N 3.44Å; S348-V351 PolarHBondContact O-N 3.22Å; V351-I354 PolarHBondContact O-N 3.38Å; V351-N355 WeakPolarHBondContact CG1-ND2 3.45Å; V351-N355 WeakPolarHBondContact O-CB 3.32Å; V351-N355 VanDerWaalsContact O-CG 3.24Å; V351-N355 PolarHBondContact O-N 2.88Å; V351-N355 PolarHBondContact O-ND2 2.95Å; V351-M365 HydrophobicContact CG2-CE 4.28Å; V351-L368 HydrophobicContact CG2-CD2 3.57Å
352Q93.1Very high91.1Very high110 Ų11046.9 Ų46.951%0.51425%0.249SC..Hα-helixtrans-63.2-42.2176.1-70.8175.717.400111.6S348 K349 F350 N355 T356S348-Q352 WeakPolarHBondContact O-CB 3.28Å; S348-Q352 VanDerWaalsContact O-CG 3.27Å; S348-Q352 WeakPolarHBondContact O-CG 3.42Å; S348-Q352 PolarHBondContact O-N 3.06Å; S348-Q352 PolarHBondContact OG-NE2 3.47Å; K349-Q352 PolarHBondContact O-N 3.14Å; F350-Q352 VanDerWaalsContact C-N 3.33Å; Q352-N355 PolarHBondContact O-N 3.25Å; Q352-T356 WeakPolarHBondContact O-CB 3.41Å; Q352-T356 WeakPolarHBondContact O-CG2 3.38Å; Q352-T356 PolarHBondContact O-N 3.42Å; Q352-T356 PolarHBondContact O-OG1 2.93Å
353L91.9Very high91.4Very high7 Ų751.7 Ų51.74%0.03727%0.269CS..Hα-helixtrans-60-47.7177.1-167.466.3000112R291 M294 K349 F350 T356 V357R291-L353 HydrophobicContact CG-CD1 4.36Å; M294-L353 HydrophobicContact CE-CD1 3.46Å; M294-L353 VanDerWaalsContact CE-CD1 3.46Å; M294-L353 HydrophobicContact CE-CD2 3.82Å; M294-L353 HydrophobicContact CE-CG 3.61Å; K349-L353 WeakPolarHBondContact O-CB 3.37Å; K349-L353 PolarHBondContact O-N 3.46Å; F350-L353 HydrophobicContact CD1-CD2 3.78Å; F350-L353 HydrophobicContact CE1-CD2 3.99Å; F350-L353 PolarHBondContact O-N 2.9Å; L353-T356 PolarHBondContact O-N 3.38Å; L353-T356 PolarHBondContact O-OG1 2.94Å; L353-V357 HydrophobicContact CD1-CG2 4.08Å; L353-V357 WeakPolarHBondContact O-CB 3.47Å; L353-V357 PolarHBondContact O-N 3.37Å
354I93.6Very high91.7Very high0 Ų051.6 Ų51.60%027%0.268CS..Hα-helixtrans-66-41.8180-65.8164.1000110.8L315 F350 V351 L358 N359 G360 F364 M365 L368L315-I354 HydrophobicContact CD2-CD1 4.47Å; L315-I354 HydrophobicContact CD2-CG1 4.3Å; F350-I354 WeakPolarHBondContact O-CB 3.37Å; F350-I354 WeakPolarHBondContact O-CD1 3.31Å; F350-I354 WeakPolarHBondContact O-CG1 3.42Å; F350-I354 PolarHBondContact O-N 2.98Å; V351-I354 PolarHBondContact O-N 3.38Å; I354-L358 HydrophobicContact CG1-CD1 4.13Å; I354-L358 HydrophobicContact CG2-CB 4.25Å; I354-L358 CarbonylContact O-C 3.6Å; I354-L358 VanDerWaalsContact O-CA 3.29Å; I354-L358 WeakPolarHBondContact O-CA 3.41Å; I354-L358 WeakPolarHBondContact O-CB 3.38Å; I354-L358 PolarHBondContact O-N 3.28Å; I354-N359 PolarHBondContact O-N 3.44Å; I354-N359 VanDerWaalsContact O-N 3.15Å; I354-G360 PolarHBondContact O-N 3.44Å; I354-F364 HydrophobicContact CD1-CB 4.39Å; I354-F364 HydrophobicContact CG1-CB 4.33Å; I354-F364 HydrophobicContact CG2-CB 4.08Å; I354-M365 HydrophobicContact CB-SD 4.14Å; I354-M365 HydrophobicContact CD1-SD 3.97Å; I354-M365 HydrophobicContact CG2-CG 4.01Å; I354-M365 HydrophobicContact CG2-SD 3.7Å; I354-L368 HydrophobicContact CD1-CB 3.84Å; I354-L368 HydrophobicContact CD1-CD2 3.8Å; I354-L368 HydrophobicContact CD1-CG 4.39Å
355N93.1Very high91.9Very high87 Ų8751.9 Ų51.947%0.46527%0.269SS..Hα-helixtrans-68.3-38179.7-74-25000112.9V351 Q352V351-N355 WeakPolarHBondContact CG1-ND2 3.45Å; V351-N355 WeakPolarHBondContact O-CB 3.32Å; V351-N355 VanDerWaalsContact O-CG 3.24Å; V351-N355 PolarHBondContact O-N 2.88Å; V351-N355 PolarHBondContact O-ND2 2.95Å; Q352-N355 PolarHBondContact O-N 3.25Å
356T89.8Confident92Very high86 Ų8647.7 Ų47.753%0.52826%0.255SS..Hα-helixtrans-83.8-42.4-176.553.40000113.1Q352 L353Q352-T356 WeakPolarHBondContact O-CB 3.41Å; Q352-T356 WeakPolarHBondContact O-CG2 3.38Å; Q352-T356 PolarHBondContact O-N 3.42Å; Q352-T356 PolarHBondContact O-OG1 2.93Å; L353-T356 PolarHBondContact O-N 3.38Å; L353-T356 PolarHBondContact O-OG1 2.94Å
357V91.4Very high92.2Very high12 Ų1247.3 Ų47.37%0.07325%0.253CS..Hα-helixtrans-101.1-35.4-171.5-176.30000112.3R291 M294 A295 L353R291-V357 HydrophobicContact CB-CG2 3.97Å; R291-V357 HydrophobicContact CG-CG2 4.12Å; R291-V357 VanDerWaalsContact O-CG1 3.29Å; R291-V357 WeakPolarHBondContact O-CG1 3.39Å; M294-V357 HydrophobicContact CB-CG1 3.77Å; M294-V357 HydrophobicContact CE-CB 3.97Å; M294-V357 HydrophobicContact CE-CG1 3.66Å; M294-V357 HydrophobicContact CE-CG2 4.07Å; M294-V357 HydrophobicContact CG-CG1 3.66Å; M294-V357 HydrophobicContact SD-CG1 4.35Å; A295-V357 HydrophobicContact CB-CG1 3.92Å; L353-V357 HydrophobicContact CD1-CG2 4.08Å; L353-V357 WeakPolarHBondContact O-CB 3.47Å; L353-V357 PolarHBondContact O-N 3.37Å
358L90.6Very high92.3Very high0 Ų045.5 Ų45.50%025%0.245CC..SBendtrans-106.115.5-174.9-52177.6000112.6M294 Y298 M311 L315 I354 G360 D361 F364M294-L358 HydrophobicContact CG-CD2 3.9Å; M294-L358 HydrophobicContact SD-CD2 4.41Å; Y298-L358 HydrophobicContact CD2-CB 4.43Å; Y298-L358 HydrophobicContact CD2-CD2 3.88Å; Y298-L358 HydrophobicContact CG-CD2 3.83Å; M311-L358 HydrophobicContact CE-CD2 3.49Å; M311-L358 VanDerWaalsContact CE-CD2 3.49Å; L315-L358 HydrophobicContact CD2-CD1 4Å; I354-L358 HydrophobicContact CG1-CD1 4.13Å; I354-L358 HydrophobicContact CG2-CB 4.25Å; I354-L358 CarbonylContact O-C 3.6Å; I354-L358 VanDerWaalsContact O-CA 3.29Å; I354-L358 WeakPolarHBondContact O-CA 3.41Å; I354-L358 WeakPolarHBondContact O-CB 3.38Å; I354-L358 PolarHBondContact O-N 3.28Å; L358-G360 PolarHBondContact O-N 2.87Å; L358-G360 VanDerWaalsContact O-N 3.09Å; L358-D361 WeakPolarHBondContact O-CB 3.28Å; L358-D361 PolarHBondContact O-N 2.89Å; L358-D361 VanDerWaalsContact O-N 3.15Å; L358-F364 HydrophobicContact CD1-CB 4.11Å; L358-F364 HydrophobicContact CD1-CD1 3.6Å; L358-F364 HydrophobicContact CD1-CD2 4.21Å; L358-F364 HydrophobicContact CD1-CE1 3.94Å; L358-F364 HydrophobicContact CD1-CG 3.7Å; L358-F364 HydrophobicContact CD1-CZ 4.37Å
359N89.5Confident92.3Very high111 Ų11145.9 Ų45.959%0.59424%0.243SC*.THydrogen-bonded Turntrans52.829.7176.1-64.8-49.6000115Y298 I354 D361Y298-N359 HydrophobicContact CE1-CB 4.35Å; I354-N359 PolarHBondContact O-N 3.44Å; I354-N359 VanDerWaalsContact O-N 3.15Å; N359-D361 VanDerWaalsContact C-N 3.31Å; N359-D361 PolarHBondContact O-N 3.24Å
360G89.8Confident92.3Very high19 Ų1948.8 Ų48.820%0.19626%0.255CS..THydrogen-bonded Turntrans68.626.8178.600000114.3I354 L358 Q362I354-G360 PolarHBondContact O-N 3.44Å; L358-G360 PolarHBondContact O-N 2.87Å; L358-G360 VanDerWaalsContact O-N 3.09Å; G360-Q362 PolarHBondContact O-N 3.4Å; G360-Q362 PolarHBondContact O-NE2 3.49Å
361D92.2Very high92.3Very high22 Ų2248.9 Ų48.912%0.11826%0.256CS..  trans-59.9128.5-179.1-169.8-60.6000112.4Y298 L358 N359 H363 F364 M365Y298-D361 HydrophobicContact CE2-CB 4.05Å; Y298-D361 PolarHBondContact OH-OD2 2.92Å; L358-D361 WeakPolarHBondContact O-CB 3.28Å; L358-D361 PolarHBondContact O-N 2.89Å; L358-D361 VanDerWaalsContact O-N 3.15Å; N359-D361 VanDerWaalsContact C-N 3.31Å; N359-D361 PolarHBondContact O-N 3.24Å; D361-H363 VanDerWaalsContact C-N 3.29Å; D361-H363 PolarHBondContact O-N 3.07Å; D361-H363 WeakPolarHBondContact OD1-CB 3.47Å; D361-H363 IonicContact OD1-CG 2.64Å; D361-H363 PolarHBondContact OD1-N 3.5Å; D361-H363 IonicContact OD1-ND1 2.66Å; D361-H363 PolarHBondContact OD1-ND1 2.94Å; D361-F364 HydrophobicContact CB-CD2 3.82Å; D361-F364 PolarHBondContact O-N 2.97Å; D361-M365 PolarHBondContact O-N 3.1Å; D361-M365 VanDerWaalsContact O-N 3.07Å
362Q92.9Very high92.2Very high146 Ų14647.5 Ų47.568%0.68225%0.247SC*.Hα-helixtrans-66.2-27.9-172.6-64.3-59.9-57.900113.4G360 M365 S366G360-Q362 PolarHBondContact O-N 3.4Å; G360-Q362 PolarHBondContact O-NE2 3.49Å; Q362-M365 PolarHBondContact O-N 2.92Å; Q362-S366 WeakPolarHBondContact O-CB 3.39Å; Q362-S366 PolarHBondContact O-N 2.95Å
363H92.7Very high92.1Very high121 Ų12144.1 Ų44.156%0.5623%0.234SC*.Hα-helixtrans-69.4-38.4178-56.192.8000111.1I312 D361 S366 A367I312-H363 HydrophobicContact CD1-CB 3.62Å; I312-H363 HydrophobicContact CG1-CB 4.39Å; D361-H363 VanDerWaalsContact C-N 3.29Å; D361-H363 PolarHBondContact O-N 3.07Å; D361-H363 WeakPolarHBondContact OD1-CB 3.47Å; D361-H363 IonicContact OD1-CG 2.64Å; D361-H363 PolarHBondContact OD1-N 3.5Å; D361-H363 IonicContact OD1-ND1 2.66Å; D361-H363 PolarHBondContact OD1-ND1 2.94Å; H363-S366 PolarHBondContact O-N 2.89Å; H363-A367 WeakPolarHBondContact O-CB 3.42Å; H363-A367 PolarHBondContact O-N 3.44Å
364F93.6Very high92Very high0 Ų046.5 Ų46.50%025%0.252CS..Hα-helixtrans-71.7-38.7175.4-71.9-80.8000112.1Y298 L308 M311 I312 L315 I354 L358 D361 S366 A367 L368Y298-F364 AromaticContact CD2-CE2 3.73Å; Y298-F364 HydrophobicContact CD2-CE2 3.73Å; Y298-F364 HydrophobicContact CD2-CZ 4.27Å; Y298-F364 HydrophobicContact CE2-CD2 4.26Å; Y298-F364 AromaticContact CE2-CE2 3.73Å; Y298-F364 HydrophobicContact CE2-CE2 3.73Å; L308-F364 HydrophobicContact CD2-CE2 4.15Å; L308-F364 HydrophobicContact CD2-CZ 4.3Å; M311-F364 HydrophobicContact CB-CE1 4.36Å; M311-F364 HydrophobicContact CB-CZ 4.2Å; M311-F364 HydrophobicContact CE-CE1 4.33Å; M311-F364 HydrophobicContact CE-CZ 4.19Å; M311-F364 HydrophobicContact CG-CE1 3.8Å; M311-F364 HydrophobicContact CG-CZ 3.78Å; M311-F364 HydrophobicContact SD-CE1 4.25Å; M311-F364 HydrophobicContact SD-CZ 3.76Å; I312-F364 HydrophobicContact CB-CE1 4.29Å; I312-F364 HydrophobicContact CG1-CD1 3.91Å; I312-F364 HydrophobicContact CG1-CD2 4.22Å; I312-F364 HydrophobicContact CG1-CE1 3.61Å; I312-F364 HydrophobicContact CG1-CE2 3.94Å; I312-F364 HydrophobicContact CG1-CG 4.25Å; I312-F364 HydrophobicContact CG1-CZ 3.65Å; L315-F364 HydrophobicContact CB-CD1 4.45Å; L315-F364 HydrophobicContact CD2-CB 4.44Å; L315-F364 HydrophobicContact CD2-CD1 3.55Å; L315-F364 HydrophobicContact CD2-CE1 4.27Å; L315-F364 HydrophobicContact CD2-CG 4.44Å; I354-F364 HydrophobicContact CD1-CB 4.39Å; I354-F364 HydrophobicContact CG1-CB 4.33Å; I354-F364 HydrophobicContact CG2-CB 4.08Å; L358-F364 HydrophobicContact CD1-CB 4.11Å; L358-F364 HydrophobicContact CD1-CD1 3.6Å; L358-F364 HydrophobicContact CD1-CD2 4.21Å; L358-F364 HydrophobicContact CD1-CE1 3.94Å; L358-F364 HydrophobicContact CD1-CG 3.7Å; L358-F364 HydrophobicContact CD1-CZ 4.37Å; D361-F364 HydrophobicContact CB-CD2 3.82Å; D361-F364 PolarHBondContact O-N 2.97Å; F364-S366 VanDerWaalsContact C-N 3.34Å; F364-S366 PolarHBondContact O-N 2.86Å; F364-A367 PolarHBondContact O-N 2.91Å; F364-L368 PolarHBondContact O-N 2.84Å
365M93.1Very high91.7Very high39 Ų3946.7 Ų46.719%0.19225%0.253CS..Hα-helixtrans-60.3-43.5171.1-69.1-61.8-66.300111.6V351 I354 D361 Q362 A367 L368 D369V351-M365 HydrophobicContact CG2-CE 4.28Å; I354-M365 HydrophobicContact CB-SD 4.14Å; I354-M365 HydrophobicContact CD1-SD 3.97Å; I354-M365 HydrophobicContact CG2-CG 4.01Å; I354-M365 HydrophobicContact CG2-SD 3.7Å; D361-M365 PolarHBondContact O-N 3.1Å; D361-M365 VanDerWaalsContact O-N 3.07Å; Q362-M365 PolarHBondContact O-N 2.92Å; M365-A367 VanDerWaalsContact C-N 3.31Å; M365-A367 PolarHBondContact O-N 3.31Å; M365-L368 WeakPolarHBondContact O-CB 3.05Å; M365-L368 PolarHBondContact O-N 3.38Å; M365-D369 PolarHBondContact O-N 3.45Å
366S93.2Very high91.4Very high50 Ų5042.7 Ų42.735%0.3523%0.231SC..Hα-helixtrans-63.8-36.3175.6-174.20000112.6Q362 H363 F364 D369 K370Q362-S366 WeakPolarHBondContact O-CB 3.39Å; Q362-S366 PolarHBondContact O-N 2.95Å; H363-S366 PolarHBondContact O-N 2.89Å; F364-S366 VanDerWaalsContact C-N 3.34Å; F364-S366 PolarHBondContact O-N 2.86Å; S366-D369 PolarHBondContact O-N 3.07Å; S366-K370 WeakPolarHBondContact O-CB 3.24Å; S366-K370 VanDerWaalsContact O-CG 3.26Å; S366-K370 WeakPolarHBondContact O-CG 3.26Å; S366-K370 PolarHBondContact O-N 3.21Å
367A93.9Very high91.2Very high2 Ų239.8 Ų39.82%0.01721%0.213CC..Hα-helixtrans-67.9-40.1174.800000112.3I312 Q316 H363 F364 M365 K370 A371I312-A367 HydrophobicContact CG2-CB 3.51Å; Q316-A367 HydrophobicContact CB-CB 4.2Å; H363-A367 WeakPolarHBondContact O-CB 3.42Å; H363-A367 PolarHBondContact O-N 3.44Å; F364-A367 PolarHBondContact O-N 2.91Å; M365-A367 VanDerWaalsContact C-N 3.31Å; M365-A367 PolarHBondContact O-N 3.31Å; A367-K370 PolarHBondContact O-N 2.96Å; A367-A371 WeakPolarHBondContact O-CB 3.21Å; A367-A371 PolarHBondContact O-N 2.84Å
368L94.1Very high90.6Very high0 Ų043.4 Ų43.40%023%0.228CC..Hα-helixtrans-58.1-50.1170.7170.364.2000111.2I319 F350 V351 I354 F364 M365 K370 A371 L372I319-L368 HydrophobicContact CD1-CB 4.06Å; I319-L368 HydrophobicContact CD1-CD1 3.84Å; I319-L368 HydrophobicContact CG1-CD1 4.45Å; I319-L368 HydrophobicContact CG2-CD1 3.82Å; F350-L368 HydrophobicContact CB-CD1 3.64Å; F350-L368 HydrophobicContact CB-CD2 4.23Å; F350-L368 HydrophobicContact CG-CD1 4.38Å; V351-L368 HydrophobicContact CG2-CD2 3.57Å; I354-L368 HydrophobicContact CD1-CB 3.84Å; I354-L368 HydrophobicContact CD1-CD2 3.8Å; I354-L368 HydrophobicContact CD1-CG 4.39Å; F364-L368 PolarHBondContact O-N 2.84Å; M365-L368 WeakPolarHBondContact O-CB 3.05Å; M365-L368 PolarHBondContact O-N 3.38Å; L368-K370 VanDerWaalsContact C-N 3.32Å; L368-K370 PolarHBondContact O-N 3.12Å; L368-A371 PolarHBondContact O-N 3.27Å; L368-L372 HydrophobicContact CD1-CD1 3.61Å; L368-L372 HydrophobicContact CD1-CG 3.89Å; L368-L372 HydrophobicContact CG-CD1 4.05Å; L368-L372 WeakPolarHBondContact O-CB 3.27Å; L368-L372 PolarHBondContact O-N 3.46Å
369D91.8Very high89.7Confident63 Ų6352.3 Ų52.334%0.33726%0.261SS..Hα-helixtrans-59.3-42.8178.6-73.5-29.5000111.7M365 S366 T373 Y424M365-D369 PolarHBondContact O-N 3.45Å; S366-D369 PolarHBondContact O-N 3.07Å; D369-T373 VanDerWaalsContact O-CB 3.24Å; D369-T373 WeakPolarHBondContact O-CB 3.1Å; D369-T373 PolarHBondContact O-N 3.46Å; D369-T373 PolarHBondContact O-OG1 3.36Å; D369-Y424 HydrophobicContact CB-CE1 4.05Å; D369-Y424 VanDerWaalsContact OD1-CE1 3.28Å; D369-Y424 WeakPolarHBondContact OD1-CE1 3.38Å; D369-Y424 PolarHBondContact OD1-OH 3.42Å
370K92.1Very high88.4Confident121 Ų12152.3 Ų52.353%0.52626%0.258SS..Hα-helixtrans-64.3-44.8176-75.2172.3-174.2173.50112.1S366 A367 L368 S374S366-K370 WeakPolarHBondContact O-CB 3.24Å; S366-K370 VanDerWaalsContact O-CG 3.26Å; S366-K370 WeakPolarHBondContact O-CG 3.26Å; S366-K370 PolarHBondContact O-N 3.21Å; A367-K370 PolarHBondContact O-N 2.96Å; L368-K370 VanDerWaalsContact C-N 3.32Å; L368-K370 PolarHBondContact O-N 3.12Å; K370-S374 WeakPolarHBondContact O-CB 3.45Å; K370-S374 PolarHBondContact O-N 3.39Å
371A93.2Very high86.4Confident1 Ų156.8 Ų56.81%0.00828%0.283CS..Hα-helixtrans-62.8-48.6178.600000111.1Q316 I319 H320 A367 L368 S374 V375Q316-A371 HydrophobicContact CG-CB 3.87Å; Q316-A371 WeakPolarHBondContact O-CB 3.39Å; I319-A371 HydrophobicContact CB-CB 3.76Å; I319-A371 HydrophobicContact CG2-CB 3.52Å; H320-A371 HydrophobicContact CB-CB 4.46Å; A367-A371 WeakPolarHBondContact O-CB 3.21Å; A367-A371 PolarHBondContact O-N 2.84Å; L368-A371 PolarHBondContact O-N 3.27Å; A371-S374 CarbonylContact O-C 3.5Å; A371-S374 WeakPolarHBondContact O-CA 3.29Å; A371-S374 WeakPolarHBondContact O-CB 3.36Å; A371-S374 PolarHBondContact O-N 3.41Å; A371-S374 VanDerWaalsContact O-N 3.11Å; A371-V375 WeakPolarHBondContact O-CG2 3.31Å; A371-V375 PolarHBondContact O-N 3.21Å
372L90.9Very high84.4Confident0 Ų066.4 Ų66.40%032%0.324CS..Hα-helixtrans-65.6-40178.4-75.3177.1000112.6I319 V346 H347 L368 S374 V375 V376 Y424I319-L372 HydrophobicContact CG2-CG 4.45Å; V346-L372 HydrophobicContact CG1-CD2 3.96Å; H347-L372 HydrophobicContact CB-CD1 3.71Å; L368-L372 HydrophobicContact CD1-CD1 3.61Å; L368-L372 HydrophobicContact CD1-CG 3.89Å; L368-L372 HydrophobicContact CG-CD1 4.05Å; L368-L372 WeakPolarHBondContact O-CB 3.27Å; L368-L372 PolarHBondContact O-N 3.46Å; L372-S374 PolarHBondContact O-N 3.15Å; L372-V375 PolarHBondContact O-N 3.27Å; L372-V375 VanDerWaalsContact O-N 3.12Å; L372-V376 WeakPolarHBondContact O-CB 3.34Å; L372-V376 WeakPolarHBondContact O-CG2 2.81Å; L372-V376 PolarHBondContact O-N 3Å; L372-Y424 HydrophobicContact CB-CD2 4.03Å; L372-Y424 HydrophobicContact CB-CE2 3.97Å; L372-Y424 HydrophobicContact CB-CG 4.37Å; L372-Y424 HydrophobicContact CD1-CD2 4.45Å; L372-Y424 HydrophobicContact CD1-CE2 3.7Å
373T91.1Very high82.8Confident39 Ų3962 Ų6224%0.23931%0.31CS..Hα-helixtrans-57.5-41.3171.2-57.50000110.5D369 N377 Y424D369-T373 VanDerWaalsContact O-CB 3.24Å; D369-T373 WeakPolarHBondContact O-CB 3.1Å; D369-T373 PolarHBondContact O-N 3.46Å; D369-T373 PolarHBondContact O-OG1 3.36Å; T373-N377 WeakPolarHBondContact CG2-ND2 3.34Å; T373-N377 WeakPolarHBondContact O-CB 3.46Å; T373-N377 PolarHBondContact O-N 3.41Å; T373-N377 VanDerWaalsContact O-N 3.1Å; T373-N377 PolarHBondContact O-ND2 3.07Å; T373-Y424 WeakPolarHBondContact OG1-CD1 3.39Å
374S89Confident81.4Confident57 Ų5760.8 Ų60.840%0.39931%0.306SS..Hα-helixtrans-69.3-32176.2-170.60000113.7H320 K370 A371 L372 F378H320-S374 PolarHBondContact CE1-OG 2.94Å; K370-S374 WeakPolarHBondContact O-CB 3.45Å; K370-S374 PolarHBondContact O-N 3.39Å; A371-S374 CarbonylContact O-C 3.5Å; A371-S374 WeakPolarHBondContact O-CA 3.29Å; A371-S374 WeakPolarHBondContact O-CB 3.36Å; A371-S374 PolarHBondContact O-N 3.41Å; A371-S374 VanDerWaalsContact O-N 3.11Å; L372-S374 PolarHBondContact O-N 3.15Å; S374-F378 WeakPolarHBondContact O-CA 3.47Å; S374-F378 WeakPolarHBondContact O-CB 3.33Å; S374-F378 PolarHBondContact O-N 3.33Å
375V87.7Confident80.2Confident4 Ų461.5 Ų61.52%0.02431%0.311CS..Hα-helixtrans-72.8-48.4176.7170.10000110.5I324 T327 A371 L372 N377 F378I324-V375 HydrophobicContact CD1-CG1 4.4Å; I324-V375 HydrophobicContact CD1-CG2 4.42Å; I324-V375 HydrophobicContact CG1-CG2 4.43Å; T327-V375 HydrophobicContact CG2-CG1 4.36Å; A371-V375 WeakPolarHBondContact O-CG2 3.31Å; A371-V375 PolarHBondContact O-N 3.21Å; L372-V375 PolarHBondContact O-N 3.27Å; L372-V375 VanDerWaalsContact O-N 3.12Å; V375-N377 VanDerWaalsContact C-N 3.33Å; V375-N377 PolarHBondContact O-N 2.85Å; V375-F378 WeakPolarHBondContact O-CB 3.38Å; V375-F378 PolarHBondContact O-N 3.07Å; V375-F378 VanDerWaalsContact O-N 3.11Å
376V86.4Confident79.4Confident3 Ų365.5 Ų65.52%0.01833%0.327CS..Hα-helixtrans-64.2-39.8-177.9171.60000111.2V343 L372 F378 A387 V421 I425V343-V376 HydrophobicContact CG1-CG2 3.84Å; V343-V376 HydrophobicContact CG2-CG2 4.34Å; L372-V376 WeakPolarHBondContact O-CB 3.34Å; L372-V376 WeakPolarHBondContact O-CG2 2.81Å; L372-V376 PolarHBondContact O-N 3Å; V376-F378 VanDerWaalsContact C-N 3.3Å; V376-A387 HydrophobicContact CG1-CB 4.2Å; V376-A387 WeakPolarHBondContact O-CB 3.27Å; V376-V421 HydrophobicContact CG2-CG1 4.36Å; V376-I425 HydrophobicContact CG1-CD1 4.49Å; V376-I425 HydrophobicContact CG1-CG1 3.58Å
377N85.6Confident78.8Confident26 Ų2663.4 Ų63.414%0.13931%0.313CS..THydrogen-bonded Turntrans-92.413.1177.2-56-65.3000112.9T373 V375 R379 Y424 D426T373-N377 WeakPolarHBondContact CG2-ND2 3.34Å; T373-N377 WeakPolarHBondContact O-CB 3.46Å; T373-N377 PolarHBondContact O-N 3.41Å; T373-N377 VanDerWaalsContact O-N 3.1Å; T373-N377 PolarHBondContact O-ND2 3.07Å; V375-N377 VanDerWaalsContact C-N 3.33Å; V375-N377 PolarHBondContact O-N 2.85Å; N377-R379 PolarHBondContact O-N 3Å; N377-Y424 PolarHBondContact ND2-O 3.12Å; N377-D426 PolarHBondContact OD1-N 3.37Å
378F80.1Confident78.4Confident88 Ų8863.3 Ų63.339%0.38631%0.312SS..  trans-62.3131.1177.8-175.4-101.4000110.1I324 S374 V375 V376 E380I324-F378 HydrophobicContact CD1-CB 3.61Å; I324-F378 HydrophobicContact CD1-CD1 3.68Å; I324-F378 HydrophobicContact CD1-CD2 3.72Å; I324-F378 HydrophobicContact CD1-CE1 4.26Å; I324-F378 HydrophobicContact CD1-CE2 4.3Å; I324-F378 HydrophobicContact CD1-CG 3.37Å; S374-F378 WeakPolarHBondContact O-CA 3.47Å; S374-F378 WeakPolarHBondContact O-CB 3.33Å; S374-F378 PolarHBondContact O-N 3.33Å; V375-F378 WeakPolarHBondContact O-CB 3.38Å; V375-F378 PolarHBondContact O-N 3.07Å; V375-F378 VanDerWaalsContact O-N 3.11Å; V376-F378 VanDerWaalsContact C-N 3.3Å; F378-E380 HydrophobicContact CE1-CG 4.25Å; F378-E380 WeakPolarHBondContact CE1-OE1 3.44Å
379R70.1Confident78Confident187 Ų18764 Ų6471%0.70632%0.315SS*.  trans-128.5123.9177.962.2-174.7-177.3-174.9-1.8108.7N377N377-R379 PolarHBondContact O-N 3Å
380E63.8Low77.7Confident111 Ų11162 Ų6252%0.51931%0.305SS..  trans-59.4146.2165.5-73.5-65.2163.900109.5F378 K382 S383F378-E380 HydrophobicContact CE1-CG 4.25Å; F378-E380 WeakPolarHBondContact CE1-OE1 3.44Å; E380-K382 PolarHBondContact O-N 2.99Å; E380-S383 WeakPolarHBondContact O-CB 3.47Å; E380-S383 PolarHBondContact O-N 3.38Å
381P47.3Very low77.6Confident112 Ų11256.3 Ų56.373%0.72728%0.28SS*.THydrogen-bonded Turntrans-55126.3177.8-20.230.9000110.1S383P381-S383 VanDerWaalsContact C-N 3.29Å; P381-S383 PolarHBondContact O-N 3.05Å
382K49.6Very low77.5Confident224 Ų22456.2 Ų56.297%0.97428%0.28SS*.THydrogen-bonded Turntrans75.7-2.2-174.4-47.7174.3178.5177.80116.2E380E380-K382 PolarHBondContact O-N 2.99Å
383S58.6Low77.3Confident55 Ų5558.6 Ų58.639%0.38529%0.29SS..  trans-94.5144.7175.9-167.30000111.7E380 P381E380-S383 WeakPolarHBondContact O-CB 3.47Å; E380-S383 PolarHBondContact O-N 3.38Å; P381-S383 VanDerWaalsContact C-N 3.29Å; P381-S383 PolarHBondContact O-N 3.05Å
384I64.8Low77.2Confident95 Ų9556.9 Ų56.949%0.48728%0.279SS..  trans-83.1141177.8-56.7164.4000108.2K386I384-K386 PolarHBondContact O-N 3.41Å
385C66.9Low77.3Confident15 Ų1554.2 Ų54.210%0.10126%0.26CS..  trans-59.5111.5174.4-173.40000109.6
386K76.7Confident77.4Confident123 Ų12354.6 Ų54.654%0.53526%0.262SS..  trans-90.7-11.4179.6-67.7-174.5-178.4178.90112.6I384 E389 L390I384-K386 PolarHBondContact O-N 3.41Å; K386-E389 PolarHBondContact O-N 3.27Å; K386-E389 VanDerWaalsContact O-N 3.12Å; K386-L390 HydrophobicContact CB-CD1 4.26Å; K386-L390 HydrophobicContact CB-CG 4.36Å; K386-L390 WeakPolarHBondContact O-CG 2.89Å; K386-L390 PolarHBondContact O-N 3.5Å
387A81.3Confident77.4Confident6 Ų657.9 Ų57.95%0.0528%0.279CS..Hα-helixtrans-55.7-45.8-175.400000113.5F339 V376 E389 L390 L391F339-A387 HydrophobicContact CE1-CB 3.93Å; F339-A387 HydrophobicContact CZ-CB 3.7Å; V376-A387 HydrophobicContact CG1-CB 4.2Å; V376-A387 WeakPolarHBondContact O-CB 3.27Å; A387-E389 VanDerWaalsContact C-N 3.3Å; A387-E389 PolarHBondContact O-N 2.9Å; A387-L390 PolarHBondContact O-N 2.63Å; A387-L391 WeakPolarHBondContact O-CB 3.13Å; A387-L391 PolarHBondContact O-N 3.47Å
388P86.3Confident77.5Confident0 Ų057.2 Ų57.20%028%0.276CS..Hα-helixtrans-61.5-36.7177.5-21.431.9000113.4A392 I425 D427 I430 F431P388-A392 WeakPolarHBondContact O-CB 3.25Å; P388-A392 PolarHBondContact O-N 2.66Å; P388-I425 HydrophobicContact CB-CG2 4.4Å; P388-I425 HydrophobicContact CG-CG2 3.9Å; P388-D427 HydrophobicContact CG-CB 4.11Å; P388-I430 HydrophobicContact CB-CB 4.12Å; P388-I430 HydrophobicContact CB-CG2 4.03Å; P388-F431 HydrophobicContact CB-CB 3.99Å
389E85.1Confident78Confident13 Ų1353 Ų536%0.06126%0.257CS..Hα-helixtrans-73.8-44.6179.5-174-168.4146.100111.7K386 A387 L391 A392 K393 F434 R669K386-E389 PolarHBondContact O-N 3.27Å; K386-E389 VanDerWaalsContact O-N 3.12Å; A387-E389 VanDerWaalsContact C-N 3.3Å; A387-E389 PolarHBondContact O-N 2.9Å; E389-L391 VanDerWaalsContact C-N 3.28Å; E389-L391 PolarHBondContact O-N 3.47Å; E389-A392 PolarHBondContact O-N 3.03Å; E389-K393 WeakPolarHBondContact O-CG 3.11Å; E389-K393 PolarHBondContact O-N 2.89Å; E389-K393 VanDerWaalsContact OE1-CE 3.25Å; E389-K393 WeakPolarHBondContact OE1-CE 3.43Å; E389-K393 IonicContact OE1-NZ 2.7Å; E389-K393 PolarHBondContact OE1-NZ 3.44Å; E389-F434 HydrophobicContact CB-CD2 4.38Å; E389-F434 HydrophobicContact CB-CE2 4.42Å; E389-F434 HydrophobicContact CG-CD1 4.2Å; E389-F434 HydrophobicContact CG-CD2 4.31Å; E389-F434 HydrophobicContact CG-CE1 4.15Å; E389-F434 HydrophobicContact CG-CE2 4.26Å; E389-F434 HydrophobicContact CG-CG 4.29Å; E389-F434 HydrophobicContact CG-CZ 4.18Å; E389-R669 IonicContact OE2-CZ 3.8Å; E389-R669 IonicContact OE2-NE 3.16Å; E389-R669 IonicContact OE2-NH2 3.06Å; E389-R669 PolarHBondContact OE2-NH2 2.88Å
390L85.9Confident78.8Confident22 Ų2246.5 Ų46.512%0.11523%0.234CC..Hα-helixtrans-60.2-43.2174.8-69.5175.8000110.4M335 P336 F339 K386 A387 A392 K393 Y394M335-L390 HydrophobicContact CB-CD2 4.12Å; P336-L390 HydrophobicContact CB-CD2 4.49Å; P336-L390 HydrophobicContact CG-CD2 3.99Å; F339-L390 HydrophobicContact CB-CD1 4.41Å; F339-L390 HydrophobicContact CD1-CB 4.37Å; F339-L390 HydrophobicContact CD1-CD1 4.39Å; F339-L390 HydrophobicContact CG-CD1 4.18Å; K386-L390 HydrophobicContact CB-CD1 4.26Å; K386-L390 HydrophobicContact CB-CG 4.36Å; K386-L390 WeakPolarHBondContact O-CG 2.89Å; K386-L390 PolarHBondContact O-N 3.5Å; A387-L390 PolarHBondContact O-N 2.63Å; L390-A392 PolarHBondContact O-N 3.4Å; L390-K393 PolarHBondContact O-N 3.48Å; L390-Y394 WeakPolarHBondContact O-CB 3.19Å; L390-Y394 PolarHBondContact O-N 2.91Å
391L89.7Confident79.5Confident1 Ų147.1 Ų47.11%0.00524%0.235CC..Hα-helixtrans-63.2-41.3177.7-171.465.4000111.6V340 A387 E389 Y394 C395 F418 V421 F422 I425 F431V340-L391 HydrophobicContact CG1-CD1 4.43Å; V340-L391 HydrophobicContact CG2-CD1 3.57Å; A387-L391 WeakPolarHBondContact O-CB 3.13Å; A387-L391 PolarHBondContact O-N 3.47Å; E389-L391 VanDerWaalsContact C-N 3.28Å; E389-L391 PolarHBondContact O-N 3.47Å; L391-Y394 PolarHBondContact O-N 3.3Å; L391-C395 PolarHBondContact O-N 2.97Å; L391-C395 VanDerWaalsContact O-N 3.1Å; L391-F418 HydrophobicContact CB-CE2 4.42Å; L391-F418 HydrophobicContact CD1-CD2 3.27Å; L391-F418 HydrophobicContact CD1-CE2 3.16Å; L391-F418 HydrophobicContact CD1-CG 4.33Å; L391-F418 HydrophobicContact CD1-CZ 4.08Å; L391-F418 HydrophobicContact CD2-CD2 4.3Å; L391-F418 HydrophobicContact CD2-CE2 3.62Å; L391-F418 HydrophobicContact CD2-CZ 3.67Å; L391-F418 HydrophobicContact CG-CD2 3.83Å; L391-F418 HydrophobicContact CG-CE2 3.13Å; L391-F418 HydrophobicContact CG-CZ 3.68Å; L391-V421 HydrophobicContact CD1-CG1 4.42Å; L391-F422 HydrophobicContact CD2-CB 4Å; L391-F422 HydrophobicContact CD2-CD2 3.97Å; L391-F422 HydrophobicContact CD2-CG 4.49Å; L391-I425 HydrophobicContact CB-CD1 4.16Å; L391-I425 HydrophobicContact CD2-CD1 3.23Å; L391-I425 HydrophobicContact CD2-CG1 4.42Å; L391-I425 HydrophobicContact CG-CD1 4.25Å; L391-F431 HydrophobicContact CB-CD2 4.48Å; L391-F431 HydrophobicContact CD2-CD2 4.46Å; L391-F431 HydrophobicContact CG-CD2 4.45Å; L391-F431 HydrophobicContact CG-CE2 4.39Å
392A90.3Very high80.6Confident0 Ų046.2 Ų46.20%023%0.231CC..Hα-helixtrans-61.9-43.6173.700000112.6P388 E389 L390 Y394 C395 D396 F431 F434 M438P388-A392 WeakPolarHBondContact O-CB 3.25Å; P388-A392 PolarHBondContact O-N 2.66Å; E389-A392 PolarHBondContact O-N 3.03Å; L390-A392 PolarHBondContact O-N 3.4Å; A392-Y394 VanDerWaalsContact C-N 3.34Å; A392-Y394 PolarHBondContact O-N 3.44Å; A392-C395 PolarHBondContact O-N 3.43Å; A392-D396 WeakPolarHBondContact O-CB 3.34Å; A392-D396 PolarHBondContact O-N 2.91Å; A392-F431 HydrophobicContact CB-CD2 3.81Å; A392-F431 HydrophobicContact CB-CE2 3.95Å; A392-F434 HydrophobicContact CB-CB 3.9Å; A392-M438 HydrophobicContact CB-SD 4.22Å
393K88.1Confident81.2Confident49 Ų4937 Ų3721%0.21320%0.197CC..Hα-helixtrans-63.9-38.4176-71.3176.5-174.1168.90112.4P336 E389 L390 D396 N397 M438 M665P336-K393 HydrophobicContact CB-CB 4.09Å; P336-K393 HydrophobicContact CG-CB 3.95Å; P336-K393 HydrophobicContact CG-CD 4.35Å; E389-K393 WeakPolarHBondContact O-CG 3.11Å; E389-K393 PolarHBondContact O-N 2.89Å; E389-K393 VanDerWaalsContact OE1-CE 3.25Å; E389-K393 WeakPolarHBondContact OE1-CE 3.43Å; E389-K393 IonicContact OE1-NZ 2.7Å; E389-K393 PolarHBondContact OE1-NZ 3.44Å; L390-K393 PolarHBondContact O-N 3.48Å; K393-D396 PolarHBondContact O-N 3.31Å; K393-N397 VanDerWaalsContact O-CG 3.29Å; K393-N397 PolarHBondContact O-N 3.43Å; K393-M438 HydrophobicContact CG-CE 3.52Å; K393-M438 HydrophobicContact CG-SD 4.38Å; K393-M665 VanDerWaalsContact NZ-CE 3.31Å
394Y89.1Confident81.2Confident4 Ų443.8 Ų43.82%0.01622%0.22CC..Hα-helixtrans-60.9-50.2176.1178.9-107.3000111.1T337 V340 L390 L391 A392 D396 N397 L398 F418T337-Y394 HydrophobicContact CG2-CE2 4.02Å; V340-Y394 HydrophobicContact CB-CD1 4.05Å; V340-Y394 HydrophobicContact CB-CD2 4.35Å; V340-Y394 HydrophobicContact CB-CE1 4.1Å; V340-Y394 HydrophobicContact CB-CE2 4.39Å; V340-Y394 HydrophobicContact CB-CG 4.15Å; V340-Y394 HydrophobicContact CG1-CD1 3.9Å; V340-Y394 HydrophobicContact CG1-CE1 3.64Å; V340-Y394 HydrophobicContact CG1-CG 4.49Å; V340-Y394 HydrophobicContact CG2-CD1 3.87Å; V340-Y394 HydrophobicContact CG2-CD2 4.39Å; V340-Y394 HydrophobicContact CG2-CE1 4.42Å; V340-Y394 HydrophobicContact CG2-CG 3.82Å; L390-Y394 WeakPolarHBondContact O-CB 3.19Å; L390-Y394 PolarHBondContact O-N 2.91Å; L391-Y394 PolarHBondContact O-N 3.3Å; A392-Y394 VanDerWaalsContact C-N 3.34Å; A392-Y394 PolarHBondContact O-N 3.44Å; Y394-D396 VanDerWaalsContact C-N 3.32Å; Y394-D396 PolarHBondContact O-N 3.09Å; Y394-N397 PolarHBondContact O-N 2.98Å; Y394-L398 HydrophobicContact CD1-CD1 3.95Å; Y394-L398 HydrophobicContact CE1-CD1 3.45Å; Y394-L398 VanDerWaalsContact CE1-CD1 3.45Å; Y394-L398 HydrophobicContact CE1-CG 4.28Å; Y394-L398 HydrophobicContact CE2-CD1 4.48Å; Y394-L398 WeakPolarHBondContact O-CG 3.42Å; Y394-L398 PolarHBondContact O-N 2.71Å; Y394-F418 HydrophobicContact CD1-CD2 4.21Å
395C89.9Confident81.2Confident0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-58.1-42.6173.4-97.60000113.2L391 A392 N397 L398 L399 F418 Y435 M457L391-C395 PolarHBondContact O-N 2.97Å; L391-C395 VanDerWaalsContact O-N 3.1Å; A392-C395 PolarHBondContact O-N 3.43Å; C395-N397 VanDerWaalsContact C-N 3.32Å; C395-N397 PolarHBondContact O-N 2.95Å; C395-L398 PolarHBondContact O-N 2.7Å; C395-L399 WeakPolarHBondContact O-CB 3.41Å; C395-L399 WeakPolarHBondContact O-CG 3.14Å; C395-L399 PolarHBondContact O-N 3.41Å; C395-F418 HydrophobicContact CB-CE2 4.14Å; C395-F418 WeakPolarHBondContact SG-CD2 3.48Å; C395-F418 WeakPolarHBondContact SG-CE2 3.28Å; C395-F418 WeakPolarHBondContact SG-CZ 3.44Å; C395-Y435 HydrophobicContact CB-CD2 4.23Å; C395-Y435 HydrophobicContact CB-CE2 3.99Å; C395-M457 VanDerWaalsContact SG-CE 3.57Å
396D89.3Confident81.6Confident12 Ų1244.7 Ų44.76%0.06424%0.242CC..Hα-helixtrans-62.7-38.9178.3177.863000112.2A392 K393 Y394 L399 K400 M438 R442A392-D396 WeakPolarHBondContact O-CB 3.34Å; A392-D396 PolarHBondContact O-N 2.91Å; K393-D396 PolarHBondContact O-N 3.31Å; Y394-D396 VanDerWaalsContact C-N 3.32Å; Y394-D396 PolarHBondContact O-N 3.09Å; D396-L399 PolarHBondContact O-N 3.05Å; D396-K400 WeakPolarHBondContact O-CD 3.47Å; D396-K400 WeakPolarHBondContact O-CG 3.38Å; D396-K400 PolarHBondContact O-N 3.15Å; D396-K400 WeakPolarHBondContact OD1-CE 3.17Å; D396-K400 IonicContact OD1-NZ 3.58Å; D396-K400 WeakPolarHBondContact OD2-CE 3.39Å; D396-K400 IonicContact OD2-NZ 3.97Å; D396-K400 PolarHBondContact OD2-NZ 3.23Å; D396-M438 HydrophobicContact CB-CB 4.13Å; D396-M438 HydrophobicContact CB-CG 4.32Å; D396-M438 HydrophobicContact CB-SD 3.7Å; D396-R442 VanDerWaalsContact OD1-CD 3.3Å; D396-R442 WeakPolarHBondContact OD1-CD 3.47Å; D396-R442 WeakPolarHBondContact OD1-CG 3.49Å; D396-R442 IonicContact OD1-CZ 3.29Å; D396-R442 IonicContact OD1-NE 2.73Å; D396-R442 IonicContact OD1-NH1 3.77Å; D396-R442 PolarHBondContact OD1-NH1 2.96Å
397N87.9Confident81.9Confident72 Ų7243.1 Ų43.139%0.38524%0.243SC..Hα-helixtrans-66.1-42.2174.7-72.1-17.5000112.1K393 Y394 C395 L399 K400 A403K393-N397 VanDerWaalsContact O-CG 3.29Å; K393-N397 PolarHBondContact O-N 3.43Å; Y394-N397 PolarHBondContact O-N 2.98Å; C395-N397 VanDerWaalsContact C-N 3.32Å; C395-N397 PolarHBondContact O-N 2.95Å; N397-L399 VanDerWaalsContact C-N 3.32Å; N397-L399 PolarHBondContact O-N 3.38Å; N397-K400 PolarHBondContact O-N 3.25Å; N397-A403 WeakPolarHBondContact O-CB 3.29Å
398L87.7Confident81.8Confident12 Ų1249 Ų496%0.06327%0.269CS..Hα-helixtrans-63.9-35.2177.9-69.8178.2000112.9Y394 C395 M406 K414 L415Y394-L398 HydrophobicContact CD1-CD1 3.95Å; Y394-L398 HydrophobicContact CE1-CD1 3.45Å; Y394-L398 VanDerWaalsContact CE1-CD1 3.45Å; Y394-L398 HydrophobicContact CE1-CG 4.28Å; Y394-L398 HydrophobicContact CE2-CD1 4.48Å; Y394-L398 WeakPolarHBondContact O-CG 3.42Å; Y394-L398 PolarHBondContact O-N 2.71Å; C395-L398 PolarHBondContact O-N 2.7Å; L398-M406 HydrophobicContact CD2-CE 4.13Å; L398-M406 HydrophobicContact CD2-SD 3.96Å; L398-K414 HydrophobicContact CD1-CB 4.1Å; L398-K414 HydrophobicContact CD2-CD 4.25Å; L398-L415 HydrophobicContact CD1-CD2 4.15Å
399L89.3Confident81.7Confident0 Ų054.6 Ų54.60%030%0.299CS..THydrogen-bonded Turntrans-92.95-174.7-67.7167.9000113.8C395 D396 N397 L415 Y435 S448 L449 M457C395-L399 WeakPolarHBondContact O-CB 3.41Å; C395-L399 WeakPolarHBondContact O-CG 3.14Å; C395-L399 PolarHBondContact O-N 3.41Å; D396-L399 PolarHBondContact O-N 3.05Å; N397-L399 VanDerWaalsContact C-N 3.32Å; N397-L399 PolarHBondContact O-N 3.38Å; L399-L415 HydrophobicContact CD2-CD1 4.09Å; L399-Y435 HydrophobicContact CD1-CE2 4.47Å; L399-S448 CarbonylContact O-C 3.57Å; L399-S448 WeakPolarHBondContact O-CA 3.18Å; L399-L449 PolarHBondContact O-N 3.12Å; L399-M457 HydrophobicContact CD1-CB 4.43Å; L399-M457 HydrophobicContact CD1-CG 4.26Å
400K87.6Confident81.7Confident51 Ų5157.6 Ų57.622%0.22231%0.313CS..BIsolated β-bridgetrans-91141.4177.7-86.6167.5172.6170.20112.2D396 N397 S402 A403 R442 L447D396-K400 WeakPolarHBondContact O-CD 3.47Å; D396-K400 WeakPolarHBondContact O-CG 3.38Å; D396-K400 PolarHBondContact O-N 3.15Å; D396-K400 WeakPolarHBondContact OD1-CE 3.17Å; D396-K400 IonicContact OD1-NZ 3.58Å; D396-K400 WeakPolarHBondContact OD2-CE 3.39Å; D396-K400 IonicContact OD2-NZ 3.97Å; D396-K400 PolarHBondContact OD2-NZ 3.23Å; N397-K400 PolarHBondContact O-N 3.25Å; K400-S402 PolarHBondContact O-N 3.19Å; K400-A403 VanDerWaalsContact O-CB 3.25Å; K400-A403 WeakPolarHBondContact O-CB 3.5Å; K400-A403 PolarHBondContact O-N 3.39Å; K400-R442 HydrophobicContact CG-CG 4.33Å; K400-L447 CarbonylContact C-O 3.49Å; K400-L447 WeakPolarHBondContact CA-O 3.46Å
401K79.3Confident81.7Confident123 Ų12356.6 Ų56.654%0.53531%0.308SS..THydrogen-bonded Turntrans-54.7-22.6172.1-70.4179.7-178.2173.90114.4A403 G446 L447 S448K401-A403 VanDerWaalsContact C-N 3.29Å; K401-G446 VanDerWaalsContact CE-O 3.25Å; K401-G446 WeakPolarHBondContact CE-O 3.19Å; K401-G446 PolarHBondContact NZ-O 3.17Å; K401-L447 WeakPolarHBondContact CG-O 3.11Å; K401-L447 PolarHBondContact N-O 3.38Å; K401-S448 WeakPolarHBondContact CE-O 3.31Å; K401-S448 VanDerWaalsContact CG-O 3.25Å; K401-S448 WeakPolarHBondContact CG-O 3.45Å
402S68.7Low81.5Confident93 Ų9360.9 Ų60.965%0.6533%0.328SS*.THydrogen-bonded Turntrans-78.9-8.9177.555.40000113.8K400 K404K400-S402 PolarHBondContact O-N 3.19Å; S402-K404 PolarHBondContact O-N 3.35Å
403A63.9Low81.4Confident31 Ų3165.9 Ų65.926%0.25636%0.355SS..  trans-71.368.7169.700000109.8N397 K400 K401 G405N397-A403 WeakPolarHBondContact O-CB 3.29Å; K400-A403 VanDerWaalsContact O-CB 3.25Å; K400-A403 WeakPolarHBondContact O-CB 3.5Å; K400-A403 PolarHBondContact O-N 3.39Å; K401-A403 VanDerWaalsContact C-N 3.29Å; A403-G405 PolarHBondContact O-N 3.27Å
404K57.6Low81.3Confident197 Ų19766.1 Ų66.186%0.85736%0.356SS*.THydrogen-bonded Turntrans-74.8123.6178.7-68.6-174.4175-173.90109S402S402-K404 PolarHBondContact O-N 3.35Å
405G65.7Low81.2Confident78 Ų7866.1 Ų66.180%0.80436%0.356SS*.THydrogen-bonded Turntrans129.6-9.1167.800000116.2A403A403-G405 PolarHBondContact O-N 3.27Å
406M74.5Confident81.2Confident52 Ų5269.2 Ų69.226%0.25638%0.375SS..  trans-104.9144.7-179.4-64.2178.468.100111.8L398 E410 V411 K414L398-M406 HydrophobicContact CD2-CE 4.13Å; L398-M406 HydrophobicContact CD2-SD 3.96Å; M406-E410 HydrophobicContact CE-CB 4.21Å; M406-E410 HydrophobicContact CE-CG 3.69Å; M406-V411 HydrophobicContact CB-CG2 3.85Å; M406-V411 HydrophobicContact CE-CG2 3.97Å; M406-V411 HydrophobicContact SD-CG2 4.39Å; M406-K414 HydrophobicContact CE-CD 3.58Å; M406-K414 HydrophobicContact CE-CG 4.08Å
407T82.9Confident81Confident89 Ų8971 Ų7155%0.54639%0.388SS..  trans-80.8159.3171.362.90000110.9N409 E410 V411T407-N409 VanDerWaalsContact C-N 3.25Å; T407-N409 PolarHBondContact O-N 2.79Å; T407-E410 PolarHBondContact O-N 2.74Å; T407-E410 WeakPolarHBondContact OG1-CB 3.37Å; T407-E410 PolarHBondContact OG1-N 2.94Å; T407-V411 WeakPolarHBondContact O-CG2 3.29Å; T407-V411 PolarHBondContact O-N 3.48Å
408E78.3Confident81Confident130 Ų13067.5 Ų67.561%0.60737%0.37SS*.Hα-helixtrans-57.1-40177.8-67.9-174.5161.400112.2V411 E412E408-V411 PolarHBondContact O-N 3.29Å; E408-E412 PolarHBondContact O-N 3.06Å
409N84.9Confident81.1Confident118 Ų11867.9 Ų67.963%0.63137%0.372SS*.Hα-helixtrans-63.8-43.8177-66.2-4.6000111.9T407 V411 E412 D413T407-N409 VanDerWaalsContact C-N 3.25Å; T407-N409 PolarHBondContact O-N 2.79Å; N409-V411 VanDerWaalsContact C-N 3.32Å; N409-V411 PolarHBondContact O-N 3.4Å; N409-E412 PolarHBondContact O-N 3.1Å; N409-E412 VanDerWaalsContact O-N 3.16Å; N409-D413 PolarHBondContact O-N 2.98Å
410E86.1Confident81Confident75 Ų7569.7 Ų69.735%0.3538%0.383SS..Hα-helixtrans-64.2-39.3178.7-168.3-167.4162.700111.5M406 T407 E412 D413 K414M406-E410 HydrophobicContact CE-CB 4.21Å; M406-E410 HydrophobicContact CE-CG 3.69Å; T407-E410 PolarHBondContact O-N 2.74Å; T407-E410 WeakPolarHBondContact OG1-CB 3.37Å; T407-E410 PolarHBondContact OG1-N 2.94Å; E410-E412 VanDerWaalsContact C-N 3.34Å; E410-D413 PolarHBondContact O-N 3.25Å; E410-K414 WeakPolarHBondContact O-CG 3.29Å; E410-K414 PolarHBondContact O-N 3.27Å
411V84.8Confident81Confident2 Ų267.3 Ų67.31%0.01237%0.373CS..Hα-helixtrans-62-45173.61750000110M406 T407 E408 N409 D413 K414 L415 L449M406-V411 HydrophobicContact CB-CG2 3.85Å; M406-V411 HydrophobicContact CE-CG2 3.97Å; M406-V411 HydrophobicContact SD-CG2 4.39Å; T407-V411 WeakPolarHBondContact O-CG2 3.29Å; T407-V411 PolarHBondContact O-N 3.48Å; E408-V411 PolarHBondContact O-N 3.29Å; N409-V411 VanDerWaalsContact C-N 3.32Å; N409-V411 PolarHBondContact O-N 3.4Å; V411-D413 PolarHBondContact O-N 3.21Å; V411-K414 PolarHBondContact O-N 3.39Å; V411-L415 HydrophobicContact CG1-CD1 3.98Å; V411-L415 HydrophobicContact CG1-CG 4.24Å; V411-L415 WeakPolarHBondContact O-CB 3.3Å; V411-L415 VanDerWaalsContact O-CG 3.23Å; V411-L415 WeakPolarHBondContact O-CG 3.49Å; V411-L415 PolarHBondContact O-N 3.31Å; V411-L449 HydrophobicContact CG2-CD2 4.24Å
412E85.7Confident81.5Confident91 Ų9161.5 Ų61.543%0.42535%0.347SS..Hα-helixtrans-63.5-39.5178.9-174.2167.5-168.400113.3E408 N409 E410 L415 T416 K460E408-E412 PolarHBondContact O-N 3.06Å; N409-E412 PolarHBondContact O-N 3.1Å; N409-E412 VanDerWaalsContact O-N 3.16Å; E410-E412 VanDerWaalsContact C-N 3.34Å; E412-L415 PolarHBondContact O-N 3.21Å; E412-T416 WeakPolarHBondContact O-CB 3.22Å; E412-T416 PolarHBondContact O-N 3.41Å; E412-T416 PolarHBondContact O-OG1 2.85Å; E412-K460 IonicContact OE1-NZ 2.82Å; E412-K460 PolarHBondContact OE1-NZ 3.3Å
413D87.4Confident82.5Confident105 Ų10563.5 Ų63.556%0.56134%0.344SS*.Hα-helixtrans-64.5-42176.3-73.5-24.8000111.5N409 E410 V411 T416 S417N409-D413 PolarHBondContact O-N 2.98Å; E410-D413 PolarHBondContact O-N 3.25Å; V411-D413 PolarHBondContact O-N 3.21Å; D413-T416 PolarHBondContact O-N 3.47Å; D413-S417 PolarHBondContact O-N 3.21Å; D413-S417 PolarHBondContact O-OG 3.35Å
414K86.7Confident83.7Confident54 Ų5462.9 Ų62.924%0.23534%0.335CS..Hα-helixtrans-65.7-38.9173.5-68.3-156.1-170.9-174.70112E341 L398 M406 E410 V411 T416 S417 F418E341-K414 IonicContact OE1-NZ 2.7Å; E341-K414 PolarHBondContact OE1-NZ 3.31Å; L398-K414 HydrophobicContact CD1-CB 4.1Å; L398-K414 HydrophobicContact CD2-CD 4.25Å; M406-K414 HydrophobicContact CE-CD 3.58Å; M406-K414 HydrophobicContact CE-CG 4.08Å; E410-K414 WeakPolarHBondContact O-CG 3.29Å; E410-K414 PolarHBondContact O-N 3.27Å; V411-K414 PolarHBondContact O-N 3.39Å; K414-T416 VanDerWaalsContact C-N 3.31Å; K414-T416 PolarHBondContact O-N 3.15Å; K414-S417 PolarHBondContact O-N 3.22Å; K414-F418 VanDerWaalsContact O-CB 3.28Å; K414-F418 WeakPolarHBondContact O-CB 3.43Å; K414-F418 PolarHBondContact O-N 2.94Å
415L87.7Confident85.2Confident4 Ų453.7 Ų53.72%0.02130%0.295CS..Hα-helixtrans-66.5-32.1174.5-69.3176.1000112.3L398 L399 V411 E412 F418 I419 M457L398-L415 HydrophobicContact CD1-CD2 4.15Å; L399-L415 HydrophobicContact CD2-CD1 4.09Å; V411-L415 HydrophobicContact CG1-CD1 3.98Å; V411-L415 HydrophobicContact CG1-CG 4.24Å; V411-L415 WeakPolarHBondContact O-CB 3.3Å; V411-L415 VanDerWaalsContact O-CG 3.23Å; V411-L415 WeakPolarHBondContact O-CG 3.49Å; V411-L415 PolarHBondContact O-N 3.31Å; E412-L415 PolarHBondContact O-N 3.21Å; L415-F418 WeakPolarHBondContact O-CB 3.24Å; L415-I419 WeakPolarHBondContact O-CG1 3.22Å; L415-I419 PolarHBondContact O-N 3.03Å; L415-M457 HydrophobicContact CB-SD 4.35Å; L415-M457 HydrophobicContact CD1-SD 4.47Å; L415-M457 HydrophobicContact CD2-SD 3.85Å; L415-M457 HydrophobicContact CG-SD 4.44Å
416T88.5Confident86.1Confident64 Ų6453 Ų5339%0.39327%0.274SS..Hα-helixtrans-72.2-43.6175.6-58.30000110.7E412 D413 K414 F418 I419 K460E412-T416 WeakPolarHBondContact O-CB 3.22Å; E412-T416 PolarHBondContact O-N 3.41Å; E412-T416 PolarHBondContact O-OG1 2.85Å; D413-T416 PolarHBondContact O-N 3.47Å; K414-T416 VanDerWaalsContact C-N 3.31Å; K414-T416 PolarHBondContact O-N 3.15Å; T416-F418 VanDerWaalsContact C-N 3.31Å; T416-F418 PolarHBondContact O-N 2.95Å; T416-I419 WeakPolarHBondContact O-CB 3.29Å; T416-I419 PolarHBondContact O-N 3.26Å; T416-I419 VanDerWaalsContact O-N 3.14Å; T416-K460 PolarHBondContact OG1-NZ 3.24Å; T416-K460 VanDerWaalsContact OG1-NZ 3.14Å
417S86.5Confident86.7Confident49 Ų4952 Ų5234%0.34327%0.269SS..Hα-helixtrans-62.1-39.5174-57.90000111.8L344 D413 K414 I419 T420 V421L344-S417 WeakPolarHBondContact CD2-O 3.31Å; D413-S417 PolarHBondContact O-N 3.21Å; D413-S417 PolarHBondContact O-OG 3.35Å; K414-S417 PolarHBondContact O-N 3.22Å; S417-I419 PolarHBondContact O-N 3.49Å; S417-T420 VanDerWaalsContact O-CB 3.23Å; S417-T420 WeakPolarHBondContact O-CB 3.5Å; S417-T420 PolarHBondContact O-N 2.97Å; S417-V421 PolarHBondContact O-N 2.98Å
418F87.8Confident87Confident0 Ų049.3 Ų49.30%025%0.25CC..Hα-helixtrans-52.5-41172.6162.2-78.3000112.7L391 Y394 C395 K414 L415 T416 T420 V421 F422 F431 M457 L461L391-F418 HydrophobicContact CB-CE2 4.42Å; L391-F418 HydrophobicContact CD1-CD2 3.27Å; L391-F418 HydrophobicContact CD1-CE2 3.16Å; L391-F418 HydrophobicContact CD1-CG 4.33Å; L391-F418 HydrophobicContact CD1-CZ 4.08Å; L391-F418 HydrophobicContact CD2-CD2 4.3Å; L391-F418 HydrophobicContact CD2-CE2 3.62Å; L391-F418 HydrophobicContact CD2-CZ 3.67Å; L391-F418 HydrophobicContact CG-CD2 3.83Å; L391-F418 HydrophobicContact CG-CE2 3.13Å; L391-F418 HydrophobicContact CG-CZ 3.68Å; Y394-F418 HydrophobicContact CD1-CD2 4.21Å; C395-F418 HydrophobicContact CB-CE2 4.14Å; C395-F418 WeakPolarHBondContact SG-CD2 3.48Å; C395-F418 WeakPolarHBondContact SG-CE2 3.28Å; C395-F418 WeakPolarHBondContact SG-CZ 3.44Å; K414-F418 VanDerWaalsContact O-CB 3.28Å; K414-F418 WeakPolarHBondContact O-CB 3.43Å; K414-F418 PolarHBondContact O-N 2.94Å; L415-F418 WeakPolarHBondContact O-CB 3.24Å; T416-F418 VanDerWaalsContact C-N 3.31Å; T416-F418 PolarHBondContact O-N 2.95Å; F418-T420 PolarHBondContact O-N 3.42Å; F418-V421 PolarHBondContact O-N 2.82Å; F418-V421 VanDerWaalsContact O-N 3.12Å; F418-F422 HydrophobicContact CD1-CB 4.38Å; F418-F422 HydrophobicContact CE1-CB 3.88Å; F418-F422 HydrophobicContact CE1-CD2 4.45Å; F418-F422 HydrophobicContact CE1-CG 4.18Å; F418-F422 HydrophobicContact CZ-CB 4.35Å; F418-F422 HydrophobicContact CZ-CD2 4.42Å; F418-F422 WeakPolarHBondContact O-CB 3.37Å; F418-F422 PolarHBondContact O-N 2.99Å; F418-F431 HydrophobicContact CE1-CZ 4.39Å; F418-F431 HydrophobicContact CE2-CE2 4.15Å; F418-F431 AromaticContact CZ-CE2 3.58Å; F418-F431 HydrophobicContact CZ-CE2 3.58Å; F418-F431 AromaticContact CZ-CZ 3.62Å; F418-F431 HydrophobicContact CZ-CZ 3.62Å; F418-M457 HydrophobicContact CD1-CE 3.55Å; F418-M457 HydrophobicContact CE1-CE 3.23Å; F418-M457 HydrophobicContact CG-CE 4.46Å; F418-M457 HydrophobicContact CZ-CE 3.84Å; F418-L461 HydrophobicContact CE1-CD2 4.36Å
419I89.1Confident87.5Confident20 Ų2043.8 Ų43.810%0.10323%0.225CC..Hα-helixtrans-63.7-30.5-178.9-66.7-67.6000111L415 T416 S417 F422 K423 M457 K460 L461 A464L415-I419 WeakPolarHBondContact O-CG1 3.22Å; L415-I419 PolarHBondContact O-N 3.03Å; T416-I419 WeakPolarHBondContact O-CB 3.29Å; T416-I419 PolarHBondContact O-N 3.26Å; T416-I419 VanDerWaalsContact O-N 3.14Å; S417-I419 PolarHBondContact O-N 3.49Å; I419-F422 HydrophobicContact CD1-CD1 4.48Å; I419-F422 PolarHBondContact O-N 3.08Å; I419-K423 WeakPolarHBondContact O-CG 3.32Å; I419-K423 PolarHBondContact O-N 2.88Å; I419-M457 HydrophobicContact CD1-CE 4.4Å; I419-K460 HydrophobicContact CD1-CB 4.01Å; I419-K460 HydrophobicContact CG1-CB 4.09Å; I419-L461 HydrophobicContact CD1-CD2 4.1Å; I419-A464 HydrophobicContact CG2-CB 4.4Å
420T86.8Confident87.7Confident37 Ų3739 Ų3923%0.22720%0.199CC..Hα-helixtrans-61.9-48.7173.1-54.70000111.1S417 F418 F422 K423 Y424S417-T420 VanDerWaalsContact O-CB 3.23Å; S417-T420 WeakPolarHBondContact O-CB 3.5Å; S417-T420 PolarHBondContact O-N 2.97Å; F418-T420 PolarHBondContact O-N 3.42Å; T420-F422 VanDerWaalsContact C-N 3.33Å; T420-F422 PolarHBondContact O-N 2.94Å; T420-K423 WeakPolarHBondContact O-CB 3.26Å; T420-K423 PolarHBondContact O-N 2.98Å; T420-Y424 HydrophobicContact CG2-CE2 4.16Å; T420-Y424 WeakPolarHBondContact O-CD2 3.35Å
421V88.7Confident87.9Confident2 Ų235.4 Ų35.41%0.01218%0.182CC..Hα-helixtrans-65.1-39.2176.3-177.10000111.4V340 V343 L344 V376 L391 S417 F418 K423 Y424V340-V421 HydrophobicContact CG1-CG2 4.45Å; V343-V421 HydrophobicContact CB-CG2 4.43Å; V343-V421 HydrophobicContact CG1-CG1 4.02Å; V343-V421 HydrophobicContact CG1-CG2 3.89Å; L344-V421 HydrophobicContact CD2-CG2 3.53Å; L344-V421 HydrophobicContact CG-CG2 3.8Å; V376-V421 HydrophobicContact CG2-CG1 4.36Å; L391-V421 HydrophobicContact CD1-CG1 4.42Å; S417-V421 PolarHBondContact O-N 2.98Å; F418-V421 PolarHBondContact O-N 2.82Å; F418-V421 VanDerWaalsContact O-N 3.12Å; V421-K423 VanDerWaalsContact C-N 3.27Å; V421-K423 PolarHBondContact O-N 3.49Å; V421-Y424 WeakPolarHBondContact O-CB 3.34Å; V421-Y424 PolarHBondContact O-N 2.96Å
422F90.3Very high88.2Confident1 Ų136.4 Ų36.40%0.00419%0.187CC..Hα-helixtrans-62.1-32.1178.5179.7-110.1000113.1L391 F418 I419 T420 Y424 I425 K428 F431 L461 A464 C465 F469L391-F422 HydrophobicContact CD2-CB 4Å; L391-F422 HydrophobicContact CD2-CD2 3.97Å; L391-F422 HydrophobicContact CD2-CG 4.49Å; F418-F422 HydrophobicContact CD1-CB 4.38Å; F418-F422 HydrophobicContact CE1-CB 3.88Å; F418-F422 HydrophobicContact CE1-CD2 4.45Å; F418-F422 HydrophobicContact CE1-CG 4.18Å; F418-F422 HydrophobicContact CZ-CB 4.35Å; F418-F422 HydrophobicContact CZ-CD2 4.42Å; F418-F422 WeakPolarHBondContact O-CB 3.37Å; F418-F422 PolarHBondContact O-N 2.99Å; I419-F422 HydrophobicContact CD1-CD1 4.48Å; I419-F422 PolarHBondContact O-N 3.08Å; T420-F422 VanDerWaalsContact C-N 3.33Å; T420-F422 PolarHBondContact O-N 2.94Å; F422-Y424 PolarHBondContact O-N 3.23Å; F422-I425 PolarHBondContact O-N 2.89Å; F422-K428 HydrophobicContact CE2-CB 4.4Å; F422-K428 HydrophobicContact CE2-CG 4.08Å; F422-K428 HydrophobicContact CZ-CB 4.31Å; F422-K428 HydrophobicContact CZ-CD 4.32Å; F422-K428 HydrophobicContact CZ-CG 4.04Å; F422-F431 HydrophobicContact CD2-CD1 4.2Å; F422-F431 HydrophobicContact CD2-CE1 4.38Å; F422-F431 HydrophobicContact CD2-CG 4.34Å; F422-F431 HydrophobicContact CE2-CB 4.34Å; F422-F431 AromaticContact CE2-CD1 3.42Å; F422-F431 HydrophobicContact CE2-CD1 3.42Å; F422-F431 VanDerWaalsContact CE2-CD1 3.42Å; F422-F431 AromaticContact CE2-CE1 3.81Å; F422-F431 HydrophobicContact CE2-CE1 3.81Å; F422-F431 AromaticContact CE2-CG 3.84Å; F422-F431 HydrophobicContact CE2-CG 3.84Å; F422-F431 HydrophobicContact CZ-CD1 4.12Å; F422-F431 HydrophobicContact CZ-CE1 4.34Å; F422-L461 HydrophobicContact CD1-CD2 4.17Å; F422-L461 HydrophobicContact CE1-CD2 3.8Å; F422-L461 HydrophobicContact CE2-CD2 4.45Å; F422-L461 HydrophobicContact CZ-CD2 3.97Å; F422-A464 HydrophobicContact CD1-CB 4.27Å; F422-A464 HydrophobicContact CE1-CB 4.18Å; F422-C465 WeakPolarHBondContact CE1-SG 3.34Å; F422-C465 WeakPolarHBondContact CZ-SG 3.42Å; F422-F469 HydrophobicContact CZ-CE1 4.24Å; F422-F469 HydrophobicContact CZ-CZ 4.12Å
423K88.3Confident88.3Confident135 Ų13534.6 Ų34.659%0.58718%0.177SC*.Hα-helixtrans-62.9-31.3174.3-74.8169.8-177.4177.20112.5I419 T420 V421 I425I419-K423 WeakPolarHBondContact O-CG 3.32Å; I419-K423 PolarHBondContact O-N 2.88Å; T420-K423 WeakPolarHBondContact O-CB 3.26Å; T420-K423 PolarHBondContact O-N 2.98Å; V421-K423 VanDerWaalsContact C-N 3.27Å; V421-K423 PolarHBondContact O-N 3.49Å; K423-I425 VanDerWaalsContact C-N 3.31Å
424Y89.1Confident88.4Confident18 Ų1829.8 Ų29.87%0.07115%0.151CC..THydrogen-bonded Turntrans-80.9-5.9179.1-59.8-43.2000113.8H347 D369 L372 T373 N377 T420 V421 F422H347-Y424 AromaticContact CD2-CE2 3.88Å; H347-Y424 PolarHBondContact CD2-OH 3.04Å; H347-Y424 VanDerWaalsContact CD2-OH 3.3Å; H347-Y424 PolarHBondContact NE2-OH 3.34Å; D369-Y424 HydrophobicContact CB-CE1 4.05Å; D369-Y424 VanDerWaalsContact OD1-CE1 3.28Å; D369-Y424 WeakPolarHBondContact OD1-CE1 3.38Å; D369-Y424 PolarHBondContact OD1-OH 3.42Å; L372-Y424 HydrophobicContact CB-CD2 4.03Å; L372-Y424 HydrophobicContact CB-CE2 3.97Å; L372-Y424 HydrophobicContact CB-CG 4.37Å; L372-Y424 HydrophobicContact CD1-CD2 4.45Å; L372-Y424 HydrophobicContact CD1-CE2 3.7Å; T373-Y424 WeakPolarHBondContact OG1-CD1 3.39Å; N377-Y424 PolarHBondContact ND2-O 3.12Å; T420-Y424 HydrophobicContact CG2-CE2 4.16Å; T420-Y424 WeakPolarHBondContact O-CD2 3.35Å; V421-Y424 WeakPolarHBondContact O-CB 3.34Å; V421-Y424 PolarHBondContact O-N 2.96Å; F422-Y424 PolarHBondContact O-N 3.23Å
425I88.8Confident88.7Confident3 Ų327.2 Ų27.22%0.01514%0.14CC..  trans-82.9131.4177.6-69.3-177.6000110.9V376 P388 L391 F422 K423 K428V376-I425 HydrophobicContact CG1-CD1 4.49Å; V376-I425 HydrophobicContact CG1-CG1 3.58Å; P388-I425 HydrophobicContact CB-CG2 4.4Å; P388-I425 HydrophobicContact CG-CG2 3.9Å; L391-I425 HydrophobicContact CB-CD1 4.16Å; L391-I425 HydrophobicContact CD2-CD1 3.23Å; L391-I425 HydrophobicContact CD2-CG1 4.42Å; L391-I425 HydrophobicContact CG-CD1 4.25Å; F422-I425 PolarHBondContact O-N 2.89Å; K423-I425 VanDerWaalsContact C-N 3.31Å; I425-K428 HydrophobicContact CG2-CG 4.28Å; I425-K428 VanDerWaalsContact O-CE 3.23Å; I425-K428 WeakPolarHBondContact O-CE 3.27Å
426D85.4Confident88.8Confident65 Ų6527.6 Ų27.635%0.34814%0.144SC..SBendtrans-79-50.1173-72.4-21.3000111.6N377 K428 F711N377-D426 PolarHBondContact OD1-N 3.37Å; D426-K428 VanDerWaalsContact C-N 3.35Å; D426-K428 PolarHBondContact O-N 3.1Å; D426-F711 WeakPolarHBondContact O-CA 3.38Å
427D86.6Confident88.8Confident30 Ų3026 Ų2616%0.1613%0.131CC..  trans-85.964.9-174.7-68.9-46.2000113P388 D429 I430 R676P388-D427 HydrophobicContact CG-CB 4.11Å; D427-D429 VanDerWaalsContact C-N 3.29Å; D427-D429 PolarHBondContact O-N 3.38Å; D427-I430 HydrophobicContact CB-CB 4.42Å; D427-I430 HydrophobicContact CB-CD1 3.76Å; D427-I430 HydrophobicContact CB-CG1 4.12Å; D427-I430 PolarHBondContact O-N 3Å; D427-R676 IonicContact OD1-CZ 2.86Å; D427-R676 IonicContact OD1-NH1 3.71Å; D427-R676 IonicContact OD1-NH2 3.67Å; D427-R676 PolarHBondContact OD1-NH2 3.31Å
428K90.1Very high88.9Confident33 Ų3324 Ų2414%0.14312%0.116CC..Hα-helixtrans-68.7-25.6-177.9-66.9166.6176.1166.90113.4F422 I425 D426 F431 Q432 F469 A709 R710F422-K428 HydrophobicContact CE2-CB 4.4Å; F422-K428 HydrophobicContact CE2-CG 4.08Å; F422-K428 HydrophobicContact CZ-CB 4.31Å; F422-K428 HydrophobicContact CZ-CD 4.32Å; F422-K428 HydrophobicContact CZ-CG 4.04Å; I425-K428 HydrophobicContact CG2-CG 4.28Å; I425-K428 VanDerWaalsContact O-CE 3.23Å; I425-K428 WeakPolarHBondContact O-CE 3.27Å; D426-K428 VanDerWaalsContact C-N 3.35Å; D426-K428 PolarHBondContact O-N 3.1Å; K428-F431 WeakPolarHBondContact O-CB 3.22Å; K428-F431 PolarHBondContact O-N 3.27Å; K428-Q432 WeakPolarHBondContact O-CB 3.19Å; K428-Q432 PolarHBondContact O-N 3.41Å; K428-F469 HydrophobicContact CB-CE2 4.11Å; K428-F469 HydrophobicContact CB-CZ 4.36Å; K428-F469 WeakPolarHBondContact O-CE2 3.07Å; K428-F469 WeakPolarHBondContact O-CZ 3.48Å; K428-A709 WeakPolarHBondContact CD-O 3.06Å; K428-R710 WeakPolarHBondContact CB-O 3.46Å; K428-R710 PolarHBondContact N-O 3.48Å
429D88.3Confident89.1Confident14 Ų1424 Ų248%0.07512%0.116CC..Hα-helixtrans-67.7-36.4175.961.1-14.1000113.3D427 Q432 K433 R676 R710 F711D427-D429 VanDerWaalsContact C-N 3.29Å; D427-D429 PolarHBondContact O-N 3.38Å; D429-Q432 WeakPolarHBondContact O-CB 3.12Å; D429-Q432 PolarHBondContact O-N 2.87Å; D429-K433 PolarHBondContact O-N 3.43Å; D429-K433 VanDerWaalsContact O-N 3.08Å; D429-R676 IonicContact OD1-CZ 2.69Å; D429-R676 IonicContact OD1-NE 3.38Å; D429-R676 IonicContact OD1-NH2 3.64Å; D429-R676 PolarHBondContact OD1-NH2 3.34Å; D429-R676 WeakPolarHBondContact OD2-CG 3.21Å; D429-R676 IonicContact OD2-CZ 2.62Å; D429-R676 IonicContact OD2-NE 3.93Å; D429-R676 PolarHBondContact OD2-NE 3.42Å; D429-R676 IonicContact OD2-NH2 3.48Å; D429-R676 PolarHBondContact OD2-NH2 2.84Å; D429-R710 PolarHBondContact N-O 3.42Å; D429-R710 VanDerWaalsContact N-O 3.16Å; D429-F711 WeakPolarHBondContact OD2-CD1 3.36Å; D429-F711 WeakPolarHBondContact OD2-CG 3.33Å
430I88.9Confident89.1Confident17 Ų1723.1 Ų23.19%0.08711%0.112CC..Hα-helixtrans-60.5-51.1170.8-63.1178.4000109.1P388 D427 Q432 K433 F434 V672P388-I430 HydrophobicContact CB-CB 4.12Å; P388-I430 HydrophobicContact CB-CG2 4.03Å; D427-I430 HydrophobicContact CB-CB 4.42Å; D427-I430 HydrophobicContact CB-CD1 3.76Å; D427-I430 HydrophobicContact CB-CG1 4.12Å; D427-I430 PolarHBondContact O-N 3Å; I430-Q432 VanDerWaalsContact C-N 3.29Å; I430-Q432 PolarHBondContact O-N 3.25Å; I430-K433 PolarHBondContact O-N 3.41Å; I430-F434 HydrophobicContact CG2-CD2 3.73Å; I430-F434 HydrophobicContact CG2-CE2 3.75Å; I430-F434 WeakPolarHBondContact O-CD2 3.46Å; I430-F434 PolarHBondContact O-N 2.89Å; I430-F434 VanDerWaalsContact O-N 3.15Å; I430-V672 HydrophobicContact CG1-CG1 3.93Å
431F91.3Very high89Confident0 Ų023.4 Ų23.40%011%0.11CC..Hα-helixtrans-54-47.8174.7168.2-91.2000111P388 L391 A392 F418 F422 K428 K433 F434 Y435 L461 F469P388-F431 HydrophobicContact CB-CB 3.99Å; L391-F431 HydrophobicContact CB-CD2 4.48Å; L391-F431 HydrophobicContact CD2-CD2 4.46Å; L391-F431 HydrophobicContact CG-CD2 4.45Å; L391-F431 HydrophobicContact CG-CE2 4.39Å; A392-F431 HydrophobicContact CB-CD2 3.81Å; A392-F431 HydrophobicContact CB-CE2 3.95Å; F418-F431 HydrophobicContact CE1-CZ 4.39Å; F418-F431 HydrophobicContact CE2-CE2 4.15Å; F418-F431 AromaticContact CZ-CE2 3.58Å; F418-F431 HydrophobicContact CZ-CE2 3.58Å; F418-F431 AromaticContact CZ-CZ 3.62Å; F418-F431 HydrophobicContact CZ-CZ 3.62Å; F422-F431 HydrophobicContact CD2-CD1 4.2Å; F422-F431 HydrophobicContact CD2-CE1 4.38Å; F422-F431 HydrophobicContact CD2-CG 4.34Å; F422-F431 HydrophobicContact CE2-CB 4.34Å; F422-F431 AromaticContact CE2-CD1 3.42Å; F422-F431 HydrophobicContact CE2-CD1 3.42Å; F422-F431 VanDerWaalsContact CE2-CD1 3.42Å; F422-F431 AromaticContact CE2-CE1 3.81Å; F422-F431 HydrophobicContact CE2-CE1 3.81Å; F422-F431 AromaticContact CE2-CG 3.84Å; F422-F431 HydrophobicContact CE2-CG 3.84Å; F422-F431 HydrophobicContact CZ-CD1 4.12Å; F422-F431 HydrophobicContact CZ-CE1 4.34Å; K428-F431 WeakPolarHBondContact O-CB 3.22Å; K428-F431 PolarHBondContact O-N 3.27Å; F431-K433 VanDerWaalsContact C-N 3.31Å; F431-K433 PolarHBondContact O-N 3Å; F431-F434 PolarHBondContact O-N 3.46Å; F431-Y435 HydrophobicContact CE1-CG 4.12Å; F431-Y435 HydrophobicContact CE2-CD2 4.34Å; F431-Y435 HydrophobicContact CE2-CG 4.48Å; F431-Y435 AromaticContact CZ-CD2 3.86Å; F431-Y435 HydrophobicContact CZ-CD2 3.86Å; F431-Y435 AromaticContact CZ-CG 3.82Å; F431-Y435 HydrophobicContact CZ-CG 3.82Å; F431-Y435 WeakPolarHBondContact O-CB 3.01Å; F431-Y435 PolarHBondContact O-N 2.85Å; F431-L461 HydrophobicContact CE1-CD1 4.15Å; F431-L461 HydrophobicContact CE1-CD2 3.94Å; F431-L461 HydrophobicContact CZ-CD2 4.36Å; F431-F469 HydrophobicContact CD1-CZ 4.32Å
432Q90.4Very high89Confident23 Ų2323.4 Ų23.411%0.10711%0.11CC..Hα-helixtrans-55.5-45.4-178.2-164.2-165.2-4.700112.1K428 D429 I430 A436 F469K428-Q432 WeakPolarHBondContact O-CB 3.19Å; K428-Q432 PolarHBondContact O-N 3.41Å; D429-Q432 WeakPolarHBondContact O-CB 3.12Å; D429-Q432 PolarHBondContact O-N 2.87Å; I430-Q432 VanDerWaalsContact C-N 3.29Å; I430-Q432 PolarHBondContact O-N 3.25Å; Q432-A436 WeakPolarHBondContact O-CB 3.37Å; Q432-A436 PolarHBondContact O-N 3.36Å; Q432-F469 HydrophobicContact CB-CE1 4.28Å; Q432-F469 HydrophobicContact CB-CE2 3.64Å; Q432-F469 HydrophobicContact CB-CZ 3.5Å; Q432-F469 VanDerWaalsContact CB-CZ 3.5Å; Q432-F469 HydrophobicContact CG-CD1 4.48Å; Q432-F469 HydrophobicContact CG-CD2 4.27Å; Q432-F469 HydrophobicContact CG-CE1 4.04Å; Q432-F469 HydrophobicContact CG-CE2 3.81Å; Q432-F469 HydrophobicContact CG-CZ 3.7Å; Q432-F469 PolarHBondContact NE2-O 2.9Å
433K88.5Confident89Confident53 Ų5323.7 Ų23.723%0.2311%0.112CC..Hα-helixtrans-69.4-45.7-177.6-74.6-76.4-173.7155.10112.2D429 I430 F431 R437 T668 V672 D675D429-K433 PolarHBondContact O-N 3.43Å; D429-K433 VanDerWaalsContact O-N 3.08Å; I430-K433 PolarHBondContact O-N 3.41Å; F431-K433 VanDerWaalsContact C-N 3.31Å; F431-K433 PolarHBondContact O-N 3Å; K433-R437 WeakPolarHBondContact O-CB 3.29Å; K433-R437 PolarHBondContact O-N 3.45Å; K433-R437 VanDerWaalsContact O-N 3.09Å; K433-T668 HydrophobicContact CB-CG2 4.13Å; K433-V672 HydrophobicContact CB-CG2 3.88Å; K433-V672 HydrophobicContact CG-CG2 3.68Å; K433-D675 WeakPolarHBondContact CE-OD2 3.38Å; K433-D675 IonicContact NZ-OD2 3.87Å; K433-D675 PolarHBondContact NZ-OD2 3.38Å
434F89Confident88.9Confident3 Ų318.2 Ų18.21%0.0139%0.088CC..Hα-helixtrans-63.3-47175.2-81.4-73.8000111.5E389 A392 I430 F431 A436 R437 M438 M665 T668 R669E389-F434 HydrophobicContact CB-CD2 4.38Å; E389-F434 HydrophobicContact CB-CE2 4.42Å; E389-F434 HydrophobicContact CG-CD1 4.2Å; E389-F434 HydrophobicContact CG-CD2 4.31Å; E389-F434 HydrophobicContact CG-CE1 4.15Å; E389-F434 HydrophobicContact CG-CE2 4.26Å; E389-F434 HydrophobicContact CG-CG 4.29Å; E389-F434 HydrophobicContact CG-CZ 4.18Å; A392-F434 HydrophobicContact CB-CB 3.9Å; I430-F434 HydrophobicContact CG2-CD2 3.73Å; I430-F434 HydrophobicContact CG2-CE2 3.75Å; I430-F434 WeakPolarHBondContact O-CD2 3.46Å; I430-F434 PolarHBondContact O-N 2.89Å; I430-F434 VanDerWaalsContact O-N 3.15Å; F431-F434 PolarHBondContact O-N 3.46Å; F434-A436 PolarHBondContact O-N 2.86Å; F434-R437 PolarHBondContact O-N 2.67Å; F434-M438 WeakPolarHBondContact O-CG 3.21Å; F434-M438 PolarHBondContact O-N 3.28Å; F434-M665 HydrophobicContact CE1-CB 4.44Å; F434-M665 HydrophobicContact CE1-CG 4.32Å; F434-T668 HydrophobicContact CD1-CG2 4.12Å; F434-T668 HydrophobicContact CD2-CG2 4.3Å; F434-T668 HydrophobicContact CE1-CG2 3.98Å; F434-T668 HydrophobicContact CE2-CG2 4.15Å; F434-T668 HydrophobicContact CG-CG2 4.28Å; F434-T668 HydrophobicContact CZ-CG2 3.99Å; F434-R669 HydrophobicContact CE2-CG 4.12Å; F434-R669 HydrophobicContact CZ-CG 4.06Å
435Y92.1Very high88.6Confident0 Ų019.7 Ų19.70%010%0.096CC..Hα-helixtrans-62.9-43.6178.7-177.1-98.9000112C395 L399 F431 R437 M438 L439 M457 L461 L473C395-Y435 HydrophobicContact CB-CD2 4.23Å; C395-Y435 HydrophobicContact CB-CE2 3.99Å; L399-Y435 HydrophobicContact CD1-CE2 4.47Å; F431-Y435 HydrophobicContact CE1-CG 4.12Å; F431-Y435 HydrophobicContact CE2-CD2 4.34Å; F431-Y435 HydrophobicContact CE2-CG 4.48Å; F431-Y435 AromaticContact CZ-CD2 3.86Å; F431-Y435 HydrophobicContact CZ-CD2 3.86Å; F431-Y435 AromaticContact CZ-CG 3.82Å; F431-Y435 HydrophobicContact CZ-CG 3.82Å; F431-Y435 WeakPolarHBondContact O-CB 3.01Å; F431-Y435 PolarHBondContact O-N 2.85Å; Y435-R437 VanDerWaalsContact C-N 3.32Å; Y435-R437 PolarHBondContact O-N 3.14Å; Y435-M438 PolarHBondContact O-N 2.92Å; Y435-L439 HydrophobicContact CE1-CD2 4.29Å; Y435-L439 VanDerWaalsContact O-CB 3.28Å; Y435-L439 WeakPolarHBondContact O-CB 3.42Å; Y435-L439 PolarHBondContact O-N 3.48Å; Y435-M457 WeakPolarHBondContact OH-CG 3.38Å; Y435-L461 HydrophobicContact CD1-CD1 4.27Å; Y435-L461 HydrophobicContact CE1-CD1 3.95Å; Y435-L473 HydrophobicContact CD1-CD1 4.13Å; Y435-L473 HydrophobicContact CD1-CD2 4.14Å; Y435-L473 HydrophobicContact CE1-CD1 4.14Å; Y435-L473 HydrophobicContact CE1-CD2 4.43Å
436A91.1Very high88.3Confident13 Ų1321.3 Ų21.311%0.10711%0.113CC..Hα-helixtrans-60.4-41.7176.600000111.8Q432 F434 A440 L473 M476 P518Q432-A436 WeakPolarHBondContact O-CB 3.37Å; Q432-A436 PolarHBondContact O-N 3.36Å; F434-A436 PolarHBondContact O-N 2.86Å; A436-A440 WeakPolarHBondContact O-CB 3.45Å; A436-A440 PolarHBondContact O-N 2.98Å; A436-L473 HydrophobicContact CB-CD2 3.72Å; A436-M476 HydrophobicContact CB-CE 4.16Å; A436-P518 HydrophobicContact CB-CG 4.14Å
437R88.1Confident88.3Confident29 Ų2920.8 Ų20.811%0.10911%0.11CC..Hα-helixtrans-65.9-43.4177.3179.1175.9159.791.61.5111.7K433 F434 Y435 A440 K441 P518 D660 E664K433-R437 WeakPolarHBondContact O-CB 3.29Å; K433-R437 PolarHBondContact O-N 3.45Å; K433-R437 VanDerWaalsContact O-N 3.09Å; F434-R437 PolarHBondContact O-N 2.67Å; Y435-R437 VanDerWaalsContact C-N 3.32Å; Y435-R437 PolarHBondContact O-N 3.14Å; R437-A440 PolarHBondContact O-N 3.5Å; R437-K441 VanDerWaalsContact NH2-NZ 3.14Å; R437-K441 WeakPolarHBondContact O-CG 3.47Å; R437-K441 PolarHBondContact O-N 2.83Å; R437-K441 VanDerWaalsContact O-N 3.08Å; R437-P518 HydrophobicContact CB-CG 4.23Å; R437-D660 IonicContact CZ-OD1 2.78Å; R437-D660 IonicContact NE-OD1 3.36Å; R437-D660 PolarHBondContact NE-OD1 3.01Å; R437-D660 IonicContact NH2-OD1 3.68Å; R437-D660 PolarHBondContact NH2-OD1 3.35Å; R437-E664 IonicContact CZ-OE1 2.72Å; R437-E664 IonicContact NH1-OE1 3.64Å; R437-E664 IonicContact NH2-OE1 2.68Å; R437-E664 PolarHBondContact NH2-OE1 3.06Å; R437-E664 IonicContact NH2-OE2 3.51Å; R437-E664 PolarHBondContact NH2-OE2 2.88Å; R437-E664 VanDerWaalsContact NH2-OE2 3.16Å
438M88.1Confident88.2Confident7 Ų719.9 Ų19.93%0.03411%0.106CC..Hα-helixtrans-64.8-44.7176.4-71.3172.1-177.800111.5A392 K393 D396 F434 Y435 A440 K441 R442A392-M438 HydrophobicContact CB-SD 4.22Å; K393-M438 HydrophobicContact CG-CE 3.52Å; K393-M438 HydrophobicContact CG-SD 4.38Å; D396-M438 HydrophobicContact CB-CB 4.13Å; D396-M438 HydrophobicContact CB-CG 4.32Å; D396-M438 HydrophobicContact CB-SD 3.7Å; F434-M438 WeakPolarHBondContact O-CG 3.21Å; F434-M438 PolarHBondContact O-N 3.28Å; Y435-M438 PolarHBondContact O-N 2.92Å; M438-A440 PolarHBondContact O-N 2.96Å; M438-K441 PolarHBondContact O-N 3.19Å; M438-R442 WeakPolarHBondContact O-CG 3.48Å; M438-R442 PolarHBondContact O-N 3.24Å
439L91.6Very high87.9Confident1 Ų121.3 Ų21.31%0.00512%0.115CC..Hα-helixtrans-58.6-46.3174177.661.7000111.2Y435 K441 R442 L443 E454 I458 L473 M476Y435-L439 HydrophobicContact CE1-CD2 4.29Å; Y435-L439 VanDerWaalsContact O-CB 3.28Å; Y435-L439 WeakPolarHBondContact O-CB 3.42Å; Y435-L439 PolarHBondContact O-N 3.48Å; L439-K441 VanDerWaalsContact C-N 3.31Å; L439-K441 PolarHBondContact O-N 2.95Å; L439-R442 PolarHBondContact O-N 3.46Å; L439-R442 VanDerWaalsContact O-N 3.1Å; L439-L443 HydrophobicContact CD1-CD1 3.98Å; L439-L443 HydrophobicContact CD1-CD2 4.34Å; L439-L443 HydrophobicContact CD1-CG 3.87Å; L439-L443 HydrophobicContact CG-CD1 3.88Å; L439-L443 HydrophobicContact CG-CG 4.2Å; L439-L443 WeakPolarHBondContact O-CB 3.34Å; L439-L443 WeakPolarHBondContact O-CG 3.44Å; L439-L443 PolarHBondContact O-N 3.47Å; L439-E454 VanDerWaalsContact CD1-OE2 3.3Å; L439-E454 WeakPolarHBondContact CD1-OE2 3.5Å; L439-I458 HydrophobicContact CD2-CD1 4.3Å; L439-L473 HydrophobicContact CD2-CB 4.33Å; L439-L473 HydrophobicContact CD2-CD2 3.99Å; L439-M476 HydrophobicContact CD2-CE 3.84Å; L439-M476 HydrophobicContact CG-CE 4.34Å
440A89.5Confident87.8Confident2 Ų221.9 Ų21.92%0.01712%0.12CC..Hα-helixtrans-57-44.8176.800000111.9A436 R437 M438 L443 I444 M476 W517 P518A436-A440 WeakPolarHBondContact O-CB 3.45Å; A436-A440 PolarHBondContact O-N 2.98Å; R437-A440 PolarHBondContact O-N 3.5Å; M438-A440 PolarHBondContact O-N 2.96Å; A440-L443 PolarHBondContact O-N 2.81Å; A440-I444 WeakPolarHBondContact O-CB 3.35Å; A440-I444 WeakPolarHBondContact O-CD1 3.31Å; A440-I444 VanDerWaalsContact O-CG1 3.23Å; A440-I444 WeakPolarHBondContact O-CG1 3.46Å; A440-I444 PolarHBondContact O-N 2.96Å; A440-M476 HydrophobicContact CB-SD 4.22Å; A440-W517 HydrophobicContact CB-CE3 3.72Å; A440-W517 HydrophobicContact CB-CZ3 3.81Å; A440-P518 HydrophobicContact CB-CG 4.07Å
441K85.3Confident87.7Confident43 Ų4324.4 Ų24.419%0.18713%0.132CC..Hα-helixtrans-62.2-42.6174.6-71.8179.7174.4-169.60112.1R437 M438 L439 H445 D660R437-K441 VanDerWaalsContact NH2-NZ 3.14Å; R437-K441 WeakPolarHBondContact O-CG 3.47Å; R437-K441 PolarHBondContact O-N 2.83Å; R437-K441 VanDerWaalsContact O-N 3.08Å; M438-K441 PolarHBondContact O-N 3.19Å; L439-K441 VanDerWaalsContact C-N 3.31Å; L439-K441 PolarHBondContact O-N 2.95Å; K441-H445 WeakPolarHBondContact O-CB 3.4Å; K441-H445 PolarHBondContact O-CD2 3.31Å; K441-H445 VanDerWaalsContact O-CD2 3.22Å; K441-H445 PolarHBondContact O-N 3.24Å; K441-D660 IonicContact NZ-OD1 3.77Å; K441-D660 PolarHBondContact NZ-OD1 3.27Å; K441-D660 IonicContact NZ-OD2 2.71Å
442R88.2Confident87.5Confident1 Ų130.1 Ų30.10%0.00416%0.163CC..Hα-helixtrans-64.7-44.1178.9-69.3-165.3-55.5-88.24.8112D396 K400 M438 L439 G446 L447 S448 E454D396-R442 VanDerWaalsContact OD1-CD 3.3Å; D396-R442 WeakPolarHBondContact OD1-CD 3.47Å; D396-R442 WeakPolarHBondContact OD1-CG 3.49Å; D396-R442 IonicContact OD1-CZ 3.29Å; D396-R442 IonicContact OD1-NE 2.73Å; D396-R442 IonicContact OD1-NH1 3.77Å; D396-R442 PolarHBondContact OD1-NH1 2.96Å; K400-R442 HydrophobicContact CG-CG 4.33Å; M438-R442 WeakPolarHBondContact O-CG 3.48Å; M438-R442 PolarHBondContact O-N 3.24Å; L439-R442 PolarHBondContact O-N 3.46Å; L439-R442 VanDerWaalsContact O-N 3.1Å; R442-G446 CarbonylContact O-C 3.47Å; R442-G446 WeakPolarHBondContact O-CA 3.38Å; R442-G446 PolarHBondContact O-N 2.96Å; R442-L447 HydrophobicContact CB-CB 4.47Å; R442-L447 HydrophobicContact CG-CB 4.46Å; R442-L447 PolarHBondContact O-N 3.45Å; R442-S448 WeakPolarHBondContact CB-OG 3.2Å; R442-E454 IonicContact CZ-OE1 3.63Å; R442-E454 IonicContact CZ-OE2 2.77Å; R442-E454 IonicContact NE-OE1 2.63Å; R442-E454 PolarHBondContact NE-OE1 3.18Å; R442-E454 IonicContact NE-OE2 3.85Å; R442-E454 IonicContact NH2-OE1 3.79Å; R442-E454 PolarHBondContact NH2-OE1 2.95Å; R442-E454 IonicContact NH2-OE2 2.71Å; R442-E454 PolarHBondContact NH2-OE2 3.42Å
443L89.4Confident87.4Confident8 Ų829.9 Ų29.94%0.04216%0.164CC..Hα-helixtrans-63.8-51.3178.2-70.5177.8000111.4L439 A440 H445 G446 M451 M476 M480 W517L439-L443 HydrophobicContact CD1-CD1 3.98Å; L439-L443 HydrophobicContact CD1-CD2 4.34Å; L439-L443 HydrophobicContact CD1-CG 3.87Å; L439-L443 HydrophobicContact CG-CD1 3.88Å; L439-L443 HydrophobicContact CG-CG 4.2Å; L439-L443 WeakPolarHBondContact O-CB 3.34Å; L439-L443 WeakPolarHBondContact O-CG 3.44Å; L439-L443 PolarHBondContact O-N 3.47Å; A440-L443 PolarHBondContact O-N 2.81Å; L443-H445 PolarHBondContact O-N 2.57Å; L443-G446 PolarHBondContact O-N 3.19Å; L443-M451 HydrophobicContact CD2-CE 3.76Å; L443-M451 HydrophobicContact CD2-SD 4.21Å; L443-M476 HydrophobicContact CD1-CB 4.16Å; L443-M480 HydrophobicContact CB-CE 3.79Å; L443-M480 WeakPolarHBondContact O-CE 3.33Å; L443-W517 HydrophobicContact CB-CH2 4.11Å; L443-W517 HydrophobicContact CB-CZ3 4.47Å; L443-W517 HydrophobicContact CD1-CH2 3.97Å
444I86.5Confident87.5Confident19 Ų1927.4 Ų27.410%0.09715%0.153CC..Hα-helixtrans-64.5-41.8-177.5-67.9167.8000111.7A440 L512 W517 L519 L559A440-I444 WeakPolarHBondContact O-CB 3.35Å; A440-I444 WeakPolarHBondContact O-CD1 3.31Å; A440-I444 VanDerWaalsContact O-CG1 3.23Å; A440-I444 WeakPolarHBondContact O-CG1 3.46Å; A440-I444 PolarHBondContact O-N 2.96Å; I444-L512 HydrophobicContact CD1-CD1 4.21Å; I444-L512 HydrophobicContact CG1-CD1 4.35Å; I444-W517 HydrophobicContact CD1-CE3 4.22Å; I444-W517 HydrophobicContact CD1-CZ3 3.85Å; I444-W517 HydrophobicContact CG1-CH2 4.39Å; I444-W517 HydrophobicContact CG1-CZ3 3.81Å; I444-L519 HydrophobicContact CD1-CD1 4.38Å; I444-L519 HydrophobicContact CD1-CD2 4.15Å; I444-L559 HydrophobicContact CD1-CD1 4.09Å; I444-L559 HydrophobicContact CG2-CB 4.37Å
445H82.8Confident87.5Confident50 Ų5030.7 Ų30.723%0.23117%0.168CC..THydrogen-bonded Turntrans-92.15.8-176.7-60.5-49.7000114K441 L443 L447K441-H445 WeakPolarHBondContact O-CB 3.4Å; K441-H445 PolarHBondContact O-CD2 3.31Å; K441-H445 VanDerWaalsContact O-CD2 3.22Å; K441-H445 PolarHBondContact O-N 3.24Å; L443-H445 PolarHBondContact O-N 2.57Å; H445-L447 VanDerWaalsContact C-N 3.25Å; H445-L447 HydrophobicContact CB-CD1 4.01Å; H445-L447 HydrophobicContact CB-CG 3.85Å; H445-L447 PolarHBondContact O-N 3.4Å
446G82.9Confident87.4Confident37 Ų3732.3 Ų32.338%0.38118%0.182SC..THydrogen-bonded Turntrans59.134179.300000113.8K401 R442 L443K401-G446 VanDerWaalsContact CE-O 3.25Å; K401-G446 WeakPolarHBondContact CE-O 3.19Å; K401-G446 PolarHBondContact NZ-O 3.17Å; R442-G446 CarbonylContact O-C 3.47Å; R442-G446 WeakPolarHBondContact O-CA 3.38Å; R442-G446 PolarHBondContact O-N 2.96Å; L443-G446 PolarHBondContact O-N 3.19Å
447L84.9Confident87.5Confident54 Ų5431.7 Ų31.728%0.28318%0.177SC..  trans-90.5-8.2-177.3-59.2175.1000113.5K400 K401 R442 H445K400-L447 CarbonylContact C-O 3.49Å; K400-L447 WeakPolarHBondContact CA-O 3.46Å; K401-L447 WeakPolarHBondContact CG-O 3.11Å; K401-L447 PolarHBondContact N-O 3.38Å; R442-L447 HydrophobicContact CB-CB 4.47Å; R442-L447 HydrophobicContact CG-CB 4.46Å; R442-L447 PolarHBondContact O-N 3.45Å; H445-L447 VanDerWaalsContact C-N 3.25Å; H445-L447 HydrophobicContact CB-CD1 4.01Å; H445-L447 HydrophobicContact CB-CG 3.85Å; H445-L447 PolarHBondContact O-N 3.4Å
448S85.8Confident87.6Confident10 Ų1030.3 Ų30.37%0.0717%0.172CC..BIsolated β-bridgetrans-64.7134.2179-65.40000112.1L399 K401 R442 E454L399-S448 CarbonylContact O-C 3.57Å; L399-S448 WeakPolarHBondContact O-CA 3.18Å; K401-S448 WeakPolarHBondContact CE-O 3.31Å; K401-S448 VanDerWaalsContact CG-O 3.25Å; K401-S448 WeakPolarHBondContact CG-O 3.45Å; R442-S448 WeakPolarHBondContact CB-OG 3.2Å; S448-E454 WeakPolarHBondContact CB-OE1 3.48Å; S448-E454 PolarHBondContact OG-OE1 2.86Å
449L82.9Confident87.8Confident63 Ų6332.6 Ų32.633%0.3318%0.184SC..SBendtrans-58.3-53.7179179.367.8000111.3L399 V411L399-L449 PolarHBondContact O-N 3.12Å; V411-L449 HydrophobicContact CG2-CD2 4.24Å
450S86.5Confident87.8Confident26 Ų2634.3 Ų34.318%0.18219%0.192CC..  trans-147.8142.7176.8173.70000109.2D452 E454S450-D452 PolarHBondContact OG-N 2.94Å; S450-E454 WeakPolarHBondContact O-CG 3.23Å; S450-E454 PolarHBondContact O-N 2.72Å
451M86.8Confident87.8Confident71 Ų7134.2 Ų34.235%0.3519%0.191SC..Hα-helixtrans-70.6-35.4177-63.1-60.9-65.200111.1L443 S453 E454 E455 Y477L443-M451 HydrophobicContact CD2-CE 3.76Å; L443-M451 HydrophobicContact CD2-SD 4.21Å; M451-S453 VanDerWaalsContact C-N 3.35Å; M451-S453 PolarHBondContact O-N 3.26Å; M451-E454 PolarHBondContact O-N 2.79Å; M451-E455 PolarHBondContact O-N 3.26Å; M451-Y477 HydrophobicContact CB-CE2 4.16Å; M451-Y477 HydrophobicContact CE-CD2 3.84Å; M451-Y477 HydrophobicContact CE-CE2 3.55Å
452D88.2Confident88.1Confident119 Ų11936.2 Ų36.264%0.63620%0.199SC*.Hα-helixtrans-65.5-39.4178.7-62.2-17.8000111.1S450 E454 E455 A456S450-D452 PolarHBondContact OG-N 2.94Å; D452-E454 PolarHBondContact O-N 2.77Å; D452-E455 PolarHBondContact O-N 3.02Å; D452-A456 WeakPolarHBondContact O-CB 3.2Å; D452-A456 PolarHBondContact O-N 3.36Å
453S87.2Confident88.1Confident19 Ų1944.1 Ų44.113%0.13324%0.236CC..Hα-helixtrans-66.1-36175.1-52.70000112.6M451 M457M451-S453 VanDerWaalsContact C-N 3.35Å; M451-S453 PolarHBondContact O-N 3.26Å; S453-M457 WeakPolarHBondContact O-CB 3.35Å; S453-M457 PolarHBondContact O-N 2.96Å
454E90.3Very high87.9Confident1 Ų145.5 Ų45.51%0.00525%0.249CC..Hα-helixtrans-66.6-43174.7-64.5-88.1-158.600110.6L439 R442 S448 S450 M451 D452 M457 I458L439-E454 VanDerWaalsContact CD1-OE2 3.3Å; L439-E454 WeakPolarHBondContact CD1-OE2 3.5Å; R442-E454 IonicContact CZ-OE1 3.63Å; R442-E454 IonicContact CZ-OE2 2.77Å; R442-E454 IonicContact NE-OE1 2.63Å; R442-E454 PolarHBondContact NE-OE1 3.18Å; R442-E454 IonicContact NE-OE2 3.85Å; R442-E454 IonicContact NH2-OE1 3.79Å; R442-E454 PolarHBondContact NH2-OE1 2.95Å; R442-E454 IonicContact NH2-OE2 2.71Å; R442-E454 PolarHBondContact NH2-OE2 3.42Å; S448-E454 WeakPolarHBondContact CB-OE1 3.48Å; S448-E454 PolarHBondContact OG-OE1 2.86Å; S450-E454 WeakPolarHBondContact O-CG 3.23Å; S450-E454 PolarHBondContact O-N 2.72Å; M451-E454 PolarHBondContact O-N 2.79Å; D452-E454 PolarHBondContact O-N 2.77Å; E454-M457 PolarHBondContact O-N 3.14Å; E454-I458 VanDerWaalsContact O-CG1 3.31Å; E454-I458 WeakPolarHBondContact O-CG1 3.3Å; E454-I458 PolarHBondContact O-N 3.08Å
455E90Very high87.8Confident71 Ų7146 Ų4633%0.33225%0.254SS..Hα-helixtrans-63.3-44.9175.5-178.1168.3-174.900112M451 D452 M457 I458 N459 Y477M451-E455 PolarHBondContact O-N 3.26Å; D452-E455 PolarHBondContact O-N 3.02Å; E455-M457 VanDerWaalsContact C-N 3.28Å; E455-M457 PolarHBondContact O-N 2.99Å; E455-I458 PolarHBondContact O-N 2.82Å; E455-N459 PolarHBondContact O-N 2.98Å; E455-N459 PolarHBondContact O-ND2 3.11Å; E455-Y477 HydrophobicContact CB-CE1 4.41Å; E455-Y477 HydrophobicContact CB-CE2 4.15Å; E455-Y477 HydrophobicContact CG-CE1 4.5Å; E455-Y477 WeakPolarHBondContact OE2-CE1 3.32Å; E455-Y477 PolarHBondContact OE2-OH 2.61Å
456A89.9Confident87.9Confident35 Ų3545.1 Ų45.129%0.28926%0.258SS..Hα-helixtrans-57.7-42.1174.900000111.5D452 N459 K460D452-A456 WeakPolarHBondContact O-CB 3.2Å; D452-A456 PolarHBondContact O-N 3.36Å; A456-N459 PolarHBondContact O-N 3.47Å; A456-K460 WeakPolarHBondContact O-CG 3.27Å; A456-K460 PolarHBondContact O-N 3.4Å
457M91.9Very high88.1Confident0 Ų050.2 Ų50.20%027%0.267CS..Hα-helixtrans-64-44176.8-175.756.7-171.600112.3C395 L399 L415 F418 I419 Y435 S453 E454 E455 N459 K460 L461C395-M457 VanDerWaalsContact SG-CE 3.57Å; L399-M457 HydrophobicContact CD1-CB 4.43Å; L399-M457 HydrophobicContact CD1-CG 4.26Å; L415-M457 HydrophobicContact CB-SD 4.35Å; L415-M457 HydrophobicContact CD1-SD 4.47Å; L415-M457 HydrophobicContact CD2-SD 3.85Å; L415-M457 HydrophobicContact CG-SD 4.44Å; F418-M457 HydrophobicContact CD1-CE 3.55Å; F418-M457 HydrophobicContact CE1-CE 3.23Å; F418-M457 HydrophobicContact CG-CE 4.46Å; F418-M457 HydrophobicContact CZ-CE 3.84Å; I419-M457 HydrophobicContact CD1-CE 4.4Å; Y435-M457 WeakPolarHBondContact OH-CG 3.38Å; S453-M457 WeakPolarHBondContact O-CB 3.35Å; S453-M457 PolarHBondContact O-N 2.96Å; E454-M457 PolarHBondContact O-N 3.14Å; E455-M457 VanDerWaalsContact C-N 3.28Å; E455-M457 PolarHBondContact O-N 2.99Å; M457-N459 VanDerWaalsContact C-N 3.27Å; M457-N459 PolarHBondContact O-N 2.79Å; M457-K460 PolarHBondContact O-N 3.2Å; M457-L461 HydrophobicContact CE-CD1 4.15Å; M457-L461 HydrophobicContact CE-CD2 3.99Å; M457-L461 HydrophobicContact CE-CG 3.93Å; M457-L461 WeakPolarHBondContact O-CG 3.29Å; M457-L461 PolarHBondContact O-N 3.33Å
458I92Very high88Confident0 Ų053.7 Ų53.70%028%0.282CS..Hα-helixtrans-61.4-39.7176-63.4165.5000110.4L439 E454 E455 L461 K462 T470 L473L439-I458 HydrophobicContact CD2-CD1 4.3Å; E454-I458 VanDerWaalsContact O-CG1 3.31Å; E454-I458 WeakPolarHBondContact O-CG1 3.3Å; E454-I458 PolarHBondContact O-N 3.08Å; E455-I458 PolarHBondContact O-N 2.82Å; I458-L461 PolarHBondContact O-N 3.43Å; I458-K462 WeakPolarHBondContact O-CB 3.09Å; I458-K462 PolarHBondContact O-N 2.94Å; I458-T470 HydrophobicContact CG2-CG2 4.37Å; I458-L473 HydrophobicContact CD1-CB 4.18Å; I458-L473 HydrophobicContact CG1-CB 4.18Å; I458-L473 HydrophobicContact CG2-CB 4.17Å
459N91.3Very high88Confident55 Ų5553.4 Ų53.429%0.29428%0.279SS..Hα-helixtrans-65.1-41.2176.1-74.3-35.2000112.4E455 A456 M457 K462 Q463 H474E455-N459 PolarHBondContact O-N 2.98Å; E455-N459 PolarHBondContact O-ND2 3.11Å; A456-N459 PolarHBondContact O-N 3.47Å; M457-N459 VanDerWaalsContact C-N 3.27Å; M457-N459 PolarHBondContact O-N 2.79Å; N459-K462 WeakPolarHBondContact O-CB 3.4Å; N459-K462 PolarHBondContact O-N 3.16Å; N459-Q463 WeakPolarHBondContact O-CG 3.46Å; N459-Q463 PolarHBondContact O-N 3.34Å; N459-H474 PolarHBondContact OD1-CE1 3.01Å
460K90.8Very high88.4Confident37 Ų3750.4 Ų50.416%0.16126%0.264CS..Hα-helixtrans-62.8-42174-69.2178.5-157.7-91.50111.4E412 T416 I419 A456 M457 K462 Q463 A464E412-K460 IonicContact OE1-NZ 2.82Å; E412-K460 PolarHBondContact OE1-NZ 3.3Å; T416-K460 PolarHBondContact OG1-NZ 3.24Å; T416-K460 VanDerWaalsContact OG1-NZ 3.14Å; I419-K460 HydrophobicContact CD1-CB 4.01Å; I419-K460 HydrophobicContact CG1-CB 4.09Å; A456-K460 WeakPolarHBondContact O-CG 3.27Å; A456-K460 PolarHBondContact O-N 3.4Å; M457-K460 PolarHBondContact O-N 3.2Å; K460-K462 VanDerWaalsContact C-N 3.33Å; K460-K462 PolarHBondContact O-N 2.79Å; K460-Q463 PolarHBondContact O-N 3.02Å; K460-A464 PolarHBondContact O-N 2.85Å
461L91.4Very high88.6Confident0 Ų050.9 Ų50.90%027%0.267CS..Hα-helixtrans-63.6-36.8173.4-69.8174.6000112.5F418 I419 F422 F431 Y435 M457 I458 A464 C465 T470 L473F418-L461 HydrophobicContact CE1-CD2 4.36Å; I419-L461 HydrophobicContact CD1-CD2 4.1Å; F422-L461 HydrophobicContact CD1-CD2 4.17Å; F422-L461 HydrophobicContact CE1-CD2 3.8Å; F422-L461 HydrophobicContact CE2-CD2 4.45Å; F422-L461 HydrophobicContact CZ-CD2 3.97Å; F431-L461 HydrophobicContact CE1-CD1 4.15Å; F431-L461 HydrophobicContact CE1-CD2 3.94Å; F431-L461 HydrophobicContact CZ-CD2 4.36Å; Y435-L461 HydrophobicContact CD1-CD1 4.27Å; Y435-L461 HydrophobicContact CE1-CD1 3.95Å; M457-L461 HydrophobicContact CE-CD1 4.15Å; M457-L461 HydrophobicContact CE-CD2 3.99Å; M457-L461 HydrophobicContact CE-CG 3.93Å; M457-L461 WeakPolarHBondContact O-CG 3.29Å; M457-L461 PolarHBondContact O-N 3.33Å; I458-L461 PolarHBondContact O-N 3.43Å; L461-A464 PolarHBondContact O-N 2.93Å; L461-C465 PolarHBondContact O-N 3.29Å; L461-T470 HydrophobicContact CB-CG2 3.73Å; L461-L473 HydrophobicContact CD1-CD1 4.25Å
462K90.8Very high88.8Confident84 Ų8452 Ų5237%0.36527%0.27SS..Hα-helixtrans-64.6-39.7176.8-179.9-179.1169.6-1770111.4I458 N459 K460 A464 G466 Y467 T470I458-K462 WeakPolarHBondContact O-CB 3.09Å; I458-K462 PolarHBondContact O-N 2.94Å; N459-K462 WeakPolarHBondContact O-CB 3.4Å; N459-K462 PolarHBondContact O-N 3.16Å; K460-K462 VanDerWaalsContact C-N 3.33Å; K460-K462 PolarHBondContact O-N 2.79Å; K462-A464 VanDerWaalsContact C-N 3.34Å; K462-G466 CarbonylContact O-C 3.55Å; K462-G466 WeakPolarHBondContact O-CA 3.48Å; K462-G466 PolarHBondContact O-N 3.1Å; K462-Y467 HydrophobicContact CD-CD2 4.46Å; K462-T470 HydrophobicContact CB-CG2 3.97Å; K462-T470 WeakPolarHBondContact CB-OG1 3.49Å
463Q88.3Confident89Confident167 Ų16746.4 Ų46.478%0.7824%0.24SC*.Hα-helixtrans-65.7-37175.5-69.3173.79.300111.9N459 K460N459-Q463 WeakPolarHBondContact O-CG 3.46Å; N459-Q463 PolarHBondContact O-N 3.34Å; K460-Q463 PolarHBondContact O-N 3.02Å
464A85.1Confident89.2Confident38 Ų3847.1 Ų47.131%0.31424%0.241SC..Hα-helixtrans-80.3-37.1-178.400000114.5I419 F422 K460 L461 K462I419-A464 HydrophobicContact CG2-CB 4.4Å; F422-A464 HydrophobicContact CD1-CB 4.27Å; F422-A464 HydrophobicContact CE1-CB 4.18Å; K460-A464 PolarHBondContact O-N 2.85Å; L461-A464 PolarHBondContact O-N 2.93Å; K462-A464 VanDerWaalsContact C-N 3.34Å
465C83.5Confident89.3Confident30 Ų3053.2 Ų53.220%0.20326%0.264CS..Hα-helixtrans-119.5-4.5-172.1-72.30000115.1F422 L461 F469F422-C465 WeakPolarHBondContact CE1-SG 3.34Å; F422-C465 WeakPolarHBondContact CZ-SG 3.42Å; L461-C465 PolarHBondContact O-N 3.29Å; C465-F469 HydrophobicContact CB-CB 3.75Å; C465-F469 HydrophobicContact CB-CD1 3.64Å; C465-F469 HydrophobicContact CB-CD2 4.1Å; C465-F469 HydrophobicContact CB-CE1 4.22Å; C465-F469 HydrophobicContact CB-CG 3.56Å
466G85.9Confident89.4Confident31 Ų3149.9 Ų49.932%0.3225%0.249SC..  trans84.5174-177.600000114.7K462K462-G466 CarbonylContact O-C 3.55Å; K462-G466 WeakPolarHBondContact O-CA 3.48Å; K462-G466 PolarHBondContact O-N 3.1Å
467Y86.1Confident89.3Confident143 Ų14349.6 Ų49.656%0.56124%0.24SC*.Hα-helixtrans-69.1-40.7-171.2178.4-102.8000114.3K462 F469 T470 S471K462-Y467 HydrophobicContact CD-CD2 4.46Å; Y467-F469 PolarHBondContact O-N 2.91Å; Y467-T470 PolarHBondContact O-N 3.41Å; Y467-T470 VanDerWaalsContact O-N 3.15Å; Y467-T470 PolarHBondContact O-OG1 3.31Å; Y467-S471 WeakPolarHBondContact O-CB 3.45Å; Y467-S471 PolarHBondContact O-N 3.07Å
468E84.2Confident89.3Confident128 Ų12852.9 Ų52.960%0.59826%0.26SS*.Hα-helixtrans-59.9-34.6-178.6-68.4-170.1166.600112.4S471E468-S471 PolarHBondContact O-OG 3.05Å
469F85.3Confident89.3Confident3 Ų353.2 Ų53.21%0.01326%0.262CS..Hα-helixtrans-65.2-41.1177.8-172.3-93.9000112.3F422 K428 F431 Q432 C465 Y467F422-F469 HydrophobicContact CZ-CE1 4.24Å; F422-F469 HydrophobicContact CZ-CZ 4.12Å; K428-F469 HydrophobicContact CB-CE2 4.11Å; K428-F469 HydrophobicContact CB-CZ 4.36Å; K428-F469 WeakPolarHBondContact O-CE2 3.07Å; K428-F469 WeakPolarHBondContact O-CZ 3.48Å; F431-F469 HydrophobicContact CD1-CZ 4.32Å; Q432-F469 HydrophobicContact CB-CE1 4.28Å; Q432-F469 HydrophobicContact CB-CE2 3.64Å; Q432-F469 HydrophobicContact CB-CZ 3.5Å; Q432-F469 VanDerWaalsContact CB-CZ 3.5Å; Q432-F469 HydrophobicContact CG-CD1 4.48Å; Q432-F469 HydrophobicContact CG-CD2 4.27Å; Q432-F469 HydrophobicContact CG-CE1 4.04Å; Q432-F469 HydrophobicContact CG-CE2 3.81Å; Q432-F469 HydrophobicContact CG-CZ 3.7Å; Q432-F469 PolarHBondContact NE2-O 2.9Å; C465-F469 HydrophobicContact CB-CB 3.75Å; C465-F469 HydrophobicContact CB-CD1 3.64Å; C465-F469 HydrophobicContact CB-CD2 4.1Å; C465-F469 HydrophobicContact CB-CE1 4.22Å; C465-F469 HydrophobicContact CB-CG 3.56Å; Y467-F469 PolarHBondContact O-N 2.91Å
470T91.1Very high89.3Confident0 Ų051.7 Ų51.70%025%0.254CS..Hα-helixtrans-97.3-9.4-175.859.20000114.6I458 L461 K462 Y467 K472 L473 H474I458-T470 HydrophobicContact CG2-CG2 4.37Å; L461-T470 HydrophobicContact CB-CG2 3.73Å; K462-T470 HydrophobicContact CB-CG2 3.97Å; K462-T470 WeakPolarHBondContact CB-OG1 3.49Å; Y467-T470 PolarHBondContact O-N 3.41Å; Y467-T470 VanDerWaalsContact O-N 3.15Å; Y467-T470 PolarHBondContact O-OG1 3.31Å; T470-K472 VanDerWaalsContact C-N 3.31Å; T470-K472 PolarHBondContact O-N 2.73Å; T470-L473 HydrophobicContact CG2-CD1 4.37Å; T470-L473 WeakPolarHBondContact O-CA 3.32Å; T470-L473 WeakPolarHBondContact O-CB 3.41Å; T470-L473 PolarHBondContact O-N 3.45Å; T470-H474 PolarHBondContact O-N 3.48Å
471S90.7Very high89.1Confident37 Ų3753.2 Ų53.226%0.25927%0.269SS..Hα-helixtrans-47.1-47.4-178.661.80000114.2Y467 E468 R475Y467-S471 WeakPolarHBondContact O-CB 3.45Å; Y467-S471 PolarHBondContact O-N 3.07Å; E468-S471 PolarHBondContact O-OG 3.05Å; S471-R475 WeakPolarHBondContact O-CB 3.25Å; S471-R475 PolarHBondContact O-N 2.86Å
472K90.7Very high89Confident95 Ų9556.9 Ų56.941%0.41329%0.291SS..Hα-helixtrans-66.2-39.6177.3-66.3-172.9179.8-173.90112T470 R475 M476T470-K472 VanDerWaalsContact C-N 3.31Å; T470-K472 PolarHBondContact O-N 2.73Å; K472-R475 PolarHBondContact O-N 2.67Å; K472-M476 WeakPolarHBondContact O-CG 3.23Å; K472-M476 PolarHBondContact O-N 3.31Å
473L92.4Very high89Confident1 Ų152.9 Ų52.91%0.00527%0.273CS..Hα-helixtrans-64.2-47.2178.2-53.9173.1000111.2Y435 A436 L439 I458 L461 T470 R475 M476 Y477Y435-L473 HydrophobicContact CD1-CD1 4.13Å; Y435-L473 HydrophobicContact CD1-CD2 4.14Å; Y435-L473 HydrophobicContact CE1-CD1 4.14Å; Y435-L473 HydrophobicContact CE1-CD2 4.43Å; A436-L473 HydrophobicContact CB-CD2 3.72Å; L439-L473 HydrophobicContact CD2-CB 4.33Å; L439-L473 HydrophobicContact CD2-CD2 3.99Å; I458-L473 HydrophobicContact CD1-CB 4.18Å; I458-L473 HydrophobicContact CG1-CB 4.18Å; I458-L473 HydrophobicContact CG2-CB 4.17Å; L461-L473 HydrophobicContact CD1-CD1 4.25Å; T470-L473 HydrophobicContact CG2-CD1 4.37Å; T470-L473 WeakPolarHBondContact O-CA 3.32Å; T470-L473 WeakPolarHBondContact O-CB 3.41Å; T470-L473 PolarHBondContact O-N 3.45Å; L473-R475 VanDerWaalsContact C-N 3.27Å; L473-R475 PolarHBondContact O-N 3.21Å; L473-M476 HydrophobicContact CB-CE 4.42Å; L473-M476 HydrophobicContact CD2-CE 3.53Å; L473-M476 HydrophobicContact CG-CE 4.49Å; L473-M476 PolarHBondContact O-N 3.23Å; L473-Y477 PolarHBondContact O-N 3.41Å; L473-Y477 VanDerWaalsContact O-N 3.12Å
474H90.8Very high89Confident34 Ų3447.3 Ų47.316%0.15726%0.256CS..Hα-helixtrans-59.5-40.2174.1-88.3-57.2000111.9N459 T470 Y477 T478N459-H474 PolarHBondContact OD1-CE1 3.01Å; T470-H474 PolarHBondContact O-N 3.48Å; H474-Y477 WeakPolarHBondContact O-CB 3.35Å; H474-Y477 PolarHBondContact O-N 2.85Å; H474-T478 WeakPolarHBondContact O-CG2 3.44Å; H474-T478 PolarHBondContact O-N 3.37Å; H474-T478 PolarHBondContact O-OG1 2.68Å
475R92.6Very high89.3Confident129 Ų12949 Ų4949%0.48726%0.26SS..Hα-helixtrans-65-39.6178.7-170.4163.6-79.8-166.16.8112.4S471 K472 L473 Y477 T478 D479 Q513 A516S471-R475 WeakPolarHBondContact O-CB 3.25Å; S471-R475 PolarHBondContact O-N 2.86Å; K472-R475 PolarHBondContact O-N 2.67Å; L473-R475 VanDerWaalsContact C-N 3.27Å; L473-R475 PolarHBondContact O-N 3.21Å; R475-Y477 VanDerWaalsContact C-N 3.31Å; R475-Y477 PolarHBondContact O-N 3.41Å; R475-T478 WeakPolarHBondContact CA-OG1 3.49Å; R475-T478 PolarHBondContact O-N 2.99Å; R475-T478 PolarHBondContact O-OG1 2.91Å; R475-D479 WeakPolarHBondContact O-CB 3.3Å; R475-D479 PolarHBondContact O-N 3.46Å; R475-Q513 VanDerWaalsContact CD-OE1 3.23Å; R475-A516 HydrophobicContact CB-CB 4Å; R475-A516 HydrophobicContact CG-CB 3.77Å
476M92.5Very high89.7Confident0 Ų048.1 Ų48.10%025%0.253CS..Hα-helixtrans-60-41.5171.9-66.8-169.6-68.700111.9A436 L439 A440 L443 K472 L473 D479 M480 W517A436-M476 HydrophobicContact CB-CE 4.16Å; L439-M476 HydrophobicContact CD2-CE 3.84Å; L439-M476 HydrophobicContact CG-CE 4.34Å; A440-M476 HydrophobicContact CB-SD 4.22Å; L443-M476 HydrophobicContact CD1-CB 4.16Å; K472-M476 WeakPolarHBondContact O-CG 3.23Å; K472-M476 PolarHBondContact O-N 3.31Å; L473-M476 HydrophobicContact CB-CE 4.42Å; L473-M476 HydrophobicContact CD2-CE 3.53Å; L473-M476 HydrophobicContact CG-CE 4.49Å; L473-M476 PolarHBondContact O-N 3.23Å; M476-D479 PolarHBondContact O-N 3.1Å; M476-M480 PolarHBondContact O-N 3.25Å; M476-W517 HydrophobicContact CB-CD2 4.25Å; M476-W517 HydrophobicContact CB-CH2 4.15Å; M476-W517 HydrophobicContact CB-CZ2 3.65Å; M476-W517 HydrophobicContact CG-CD2 3.65Å; M476-W517 HydrophobicContact CG-CE3 4.2Å; M476-W517 HydrophobicContact CG-CG 3.88Å; M476-W517 HydrophobicContact CG-CZ2 4.01Å; M476-W517 VanDerWaalsContact O-CZ2 3.32Å; M476-W517 WeakPolarHBondContact O-CZ2 3.24Å; M476-W517 HydrophobicContact SD-CD2 3.87Å; M476-W517 HydrophobicContact SD-CE3 3.9Å; M476-W517 HydrophobicContact SD-CG 4.21Å; M476-W517 HydrophobicContact SD-CZ3 4.36Å
477Y89.1Confident89.9Confident30 Ų3047.2 Ų47.212%0.11824%0.241CC..Hα-helixtrans-63.5-48.3176.1-175.2-96.3000111.9M451 E455 L473 H474 R475 D479 M480 S481M451-Y477 HydrophobicContact CB-CE2 4.16Å; M451-Y477 HydrophobicContact CE-CD2 3.84Å; M451-Y477 HydrophobicContact CE-CE2 3.55Å; E455-Y477 HydrophobicContact CB-CE1 4.41Å; E455-Y477 HydrophobicContact CB-CE2 4.15Å; E455-Y477 HydrophobicContact CG-CE1 4.5Å; E455-Y477 WeakPolarHBondContact OE2-CE1 3.32Å; E455-Y477 PolarHBondContact OE2-OH 2.61Å; L473-Y477 PolarHBondContact O-N 3.41Å; L473-Y477 VanDerWaalsContact O-N 3.12Å; H474-Y477 WeakPolarHBondContact O-CB 3.35Å; H474-Y477 PolarHBondContact O-N 2.85Å; R475-Y477 VanDerWaalsContact C-N 3.31Å; R475-Y477 PolarHBondContact O-N 3.41Å; Y477-D479 VanDerWaalsContact C-N 3.32Å; Y477-D479 PolarHBondContact O-N 3.29Å; Y477-M480 WeakPolarHBondContact O-CB 3.47Å; Y477-M480 PolarHBondContact O-N 3.38Å; Y477-S481 PolarHBondContact O-N 2.97Å
478T91.2Very high90.2Very high68 Ų6844.9 Ų44.942%0.41724%0.238SC..Hα-helixtrans-63.6-36.6178.2550000112.7H474 R475 M480 S481 V482H474-T478 WeakPolarHBondContact O-CG2 3.44Å; H474-T478 PolarHBondContact O-N 3.37Å; H474-T478 PolarHBondContact O-OG1 2.68Å; R475-T478 WeakPolarHBondContact CA-OG1 3.49Å; R475-T478 PolarHBondContact O-N 2.99Å; R475-T478 PolarHBondContact O-OG1 2.91Å; T478-M480 PolarHBondContact O-N 2.87Å; T478-S481 PolarHBondContact O-N 3.45Å; T478-V482 WeakPolarHBondContact O-CB 3.2Å; T478-V482 VanDerWaalsContact O-CG2 3.28Å; T478-V482 WeakPolarHBondContact O-CG2 3.44Å; T478-V482 PolarHBondContact O-N 3.5Å
479D92.1Very high90.5Very high8 Ų843.4 Ų43.44%0.04323%0.23CC..Hα-helixtrans-61.3-34.9177.4-76.5-10.7000111.2R475 M476 Y477 S483 L512 Q513 W517R475-D479 WeakPolarHBondContact O-CB 3.3Å; R475-D479 PolarHBondContact O-N 3.46Å; M476-D479 PolarHBondContact O-N 3.1Å; Y477-D479 VanDerWaalsContact C-N 3.32Å; Y477-D479 PolarHBondContact O-N 3.29Å; D479-S483 VanDerWaalsContact O-CB 3.24Å; D479-S483 WeakPolarHBondContact O-CB 3.4Å; D479-S483 PolarHBondContact O-N 3.33Å; D479-S483 PolarHBondContact O-OG 3.46Å; D479-L512 HydrophobicContact CB-CD2 4.22Å; D479-Q513 PolarHBondContact OD1-NE2 3.3Å; D479-Q513 WeakPolarHBondContact OD2-CG 3.45Å; D479-Q513 PolarHBondContact OD2-N 3.48Å; D479-W517 HydrophobicContact CB-CZ2 4.24Å; D479-W517 PolarHBondContact OD2-NE1 3.47Å
480M90Very high90.7Very high23 Ų2343.2 Ų43.211%0.11323%0.229CC..Hα-helixtrans-67.5-45.3176.9-166.158.87200111.8L443 M476 Y477 T478 S483 A484 Y510 W517L443-M480 HydrophobicContact CB-CE 3.79Å; L443-M480 WeakPolarHBondContact O-CE 3.33Å; M476-M480 PolarHBondContact O-N 3.25Å; Y477-M480 WeakPolarHBondContact O-CB 3.47Å; Y477-M480 PolarHBondContact O-N 3.38Å; T478-M480 PolarHBondContact O-N 2.87Å; M480-S483 PolarHBondContact O-N 3.35Å; M480-A484 PolarHBondContact O-N 3.45Å; M480-A484 VanDerWaalsContact O-N 3.16Å; M480-Y510 HydrophobicContact SD-CD1 3.61Å; M480-Y510 HydrophobicContact SD-CE1 3.51Å; M480-Y510 VanDerWaalsContact SD-CE1 3.51Å; M480-Y510 HydrophobicContact SD-CE2 4.49Å; M480-Y510 HydrophobicContact SD-CG 4.17Å; M480-W517 HydrophobicContact CE-CH2 4.2Å
481S86.7Confident90.6Very high68 Ų6846.1 Ų46.148%0.47624%0.244SC..Hα-helixtrans-64.9-42.7176.7-56.90000112.2Y477 T478 S483 A484 D485Y477-S481 PolarHBondContact O-N 2.97Å; T478-S481 PolarHBondContact O-N 3.45Å; S481-S483 VanDerWaalsContact C-N 3.32Å; S481-S483 PolarHBondContact O-N 3.47Å; S481-A484 PolarHBondContact O-N 2.97Å; S481-D485 PolarHBondContact O-N 2.98Å
482V90.8Very high90.4Very high77 Ų7748.8 Ų48.847%0.46726%0.256SS..Hα-helixtrans-66.1-35.9176.4172.50000111.1T478 A484 D485 L486T478-V482 WeakPolarHBondContact O-CB 3.2Å; T478-V482 VanDerWaalsContact O-CG2 3.28Å; T478-V482 WeakPolarHBondContact O-CG2 3.44Å; T478-V482 PolarHBondContact O-N 3.5Å; V482-A484 VanDerWaalsContact C-N 3.32Å; V482-A484 PolarHBondContact O-N 2.96Å; V482-D485 PolarHBondContact O-N 3.43Å; V482-L486 HydrophobicContact CG1-CD1 4.05Å; V482-L486 HydrophobicContact CG1-CG 4.3Å; V482-L486 WeakPolarHBondContact O-CG 3.43Å; V482-L486 PolarHBondContact O-N 2.89Å
483S90.4Very high90.2Very high0 Ų046.1 Ų46.10%024%0.244CC..Hα-helixtrans-63.1-38.3175.6-65.90000112.1D479 M480 S481 L486 N487 V511D479-S483 VanDerWaalsContact O-CB 3.24Å; D479-S483 WeakPolarHBondContact O-CB 3.4Å; D479-S483 PolarHBondContact O-N 3.33Å; D479-S483 PolarHBondContact O-OG 3.46Å; M480-S483 PolarHBondContact O-N 3.35Å; S481-S483 VanDerWaalsContact C-N 3.32Å; S481-S483 PolarHBondContact O-N 3.47Å; S483-L486 PolarHBondContact O-N 2.89Å; S483-N487 PolarHBondContact O-N 3.24Å; S483-N487 PolarHBondContact O-ND2 3.24Å; S483-V511 PolarHBondContact OG-N 3.44Å; S483-V511 PolarHBondContact OG-O 2.81Å
484A88.6Confident89.9Confident51 Ų5146.9 Ų46.942%0.42125%0.248SC..Hα-helixtrans-62-43.6175.100000112M480 S481 V482 N487 N488M480-A484 PolarHBondContact O-N 3.45Å; M480-A484 VanDerWaalsContact O-N 3.16Å; S481-A484 PolarHBondContact O-N 2.97Å; V482-A484 VanDerWaalsContact C-N 3.32Å; V482-A484 PolarHBondContact O-N 2.96Å; A484-N487 PolarHBondContact O-N 2.94Å; A484-N488 PolarHBondContact O-N 2.79Å; A484-N488 PolarHBondContact O-ND2 3.04Å
485D90.8Very high89.5Confident73 Ų7353 Ų5339%0.3927%0.274SS..Hα-helixtrans-65.1-40.5175-17940.1000112.2S481 V482 N487 N488 K489S481-D485 PolarHBondContact O-N 2.98Å; V482-D485 PolarHBondContact O-N 3.43Å; D485-N487 VanDerWaalsContact C-N 3.34Å; D485-N487 PolarHBondContact O-N 2.97Å; D485-N488 WeakPolarHBondContact O-CB 3.34Å; D485-N488 PolarHBondContact O-N 3.01Å; D485-K489 WeakPolarHBondContact O-CG 3.27Å; D485-K489 PolarHBondContact O-N 3.13Å; D485-K489 IonicContact OD1-NZ 3.84Å; D485-K489 VanDerWaalsContact OD2-CE 3.27Å; D485-K489 WeakPolarHBondContact OD2-CE 3.5Å; D485-K489 IonicContact OD2-NZ 2.66Å; D485-K489 PolarHBondContact OD2-NZ 3.15Å
486L91.5Very high88.9Confident11 Ų1152.5 Ų52.56%0.05829%0.286CS..Hα-helixtrans-61.3-40.2174.3-76.4172.1000112.6V482 S483 N488 K489 F490 V511 F548V482-L486 HydrophobicContact CG1-CD1 4.05Å; V482-L486 HydrophobicContact CG1-CG 4.3Å; V482-L486 WeakPolarHBondContact O-CG 3.43Å; V482-L486 PolarHBondContact O-N 2.89Å; S483-L486 PolarHBondContact O-N 2.89Å; L486-N488 VanDerWaalsContact C-N 3.33Å; L486-N488 PolarHBondContact O-N 2.93Å; L486-K489 PolarHBondContact O-N 3.09Å; L486-F490 WeakPolarHBondContact O-CB 3.27Å; L486-F490 PolarHBondContact O-N 3.28Å; L486-V511 HydrophobicContact CD1-CB 4.05Å; L486-V511 HydrophobicContact CD1-CG2 4Å; L486-F548 HydrophobicContact CD2-CE2 3.83Å; L486-F548 HydrophobicContact CD2-CZ 3.95Å
487N91.4Very high88.1Confident12 Ų1254.8 Ų54.86%0.06430%0.297CS..Hα-helixtrans-61.3-41.4173.9-78-64.9000111.7S483 A484 D485 F490 N491 Q508 I509S483-N487 PolarHBondContact O-N 3.24Å; S483-N487 PolarHBondContact O-ND2 3.24Å; A484-N487 PolarHBondContact O-N 2.94Å; D485-N487 VanDerWaalsContact C-N 3.34Å; D485-N487 PolarHBondContact O-N 2.97Å; N487-F490 PolarHBondContact O-N 3.14Å; N487-N491 WeakPolarHBondContact O-CB 3.39Å; N487-N491 VanDerWaalsContact O-CG 3.23Å; N487-N491 PolarHBondContact O-N 2.68Å; N487-N491 PolarHBondContact O-ND2 3.28Å; N487-N491 VanDerWaalsContact O-ND2 3.13Å; N487-Q508 WeakPolarHBondContact OD1-CA 3.29Å; N487-I509 PolarHBondContact ND2-O 3.35Å; N487-I509 WeakPolarHBondContact OD1-CG2 3.42Å; N487-I509 PolarHBondContact OD1-N 2.98Å
488N90.6Very high86.7Confident94 Ų9463.3 Ų63.350%0.50334%0.338SS..Hα-helixtrans-64.3-42.7177-68.5-28.6000111.7A484 D485 L486 N491 N492A484-N488 PolarHBondContact O-N 2.79Å; A484-N488 PolarHBondContact O-ND2 3.04Å; D485-N488 WeakPolarHBondContact O-CB 3.34Å; D485-N488 PolarHBondContact O-N 3.01Å; L486-N488 VanDerWaalsContact C-N 3.33Å; L486-N488 PolarHBondContact O-N 2.93Å; N488-N491 PolarHBondContact O-N 2.9Å; N488-N492 VanDerWaalsContact O-CG 3.28Å; N488-N492 PolarHBondContact O-N 3.45Å; N488-N492 PolarHBondContact O-ND2 3.34Å
489K91Very high85.3Confident97 Ų9765 Ų6542%0.42235%0.347SS..Hα-helixtrans-62.4-42.9175.2-71.5167.9175.8164.30111.9D485 L486 N492 F493 F543D485-K489 WeakPolarHBondContact O-CG 3.27Å; D485-K489 PolarHBondContact O-N 3.13Å; D485-K489 IonicContact OD1-NZ 3.84Å; D485-K489 VanDerWaalsContact OD2-CE 3.27Å; D485-K489 WeakPolarHBondContact OD2-CE 3.5Å; D485-K489 IonicContact OD2-NZ 2.66Å; D485-K489 PolarHBondContact OD2-NZ 3.15Å; L486-K489 PolarHBondContact O-N 3.09Å; K489-N492 PolarHBondContact O-N 3.49Å; K489-F493 WeakPolarHBondContact O-CB 3.49Å; K489-F493 PolarHBondContact O-N 3.34Å; K489-F543 HydrophobicContact CB-CE2 4.39Å; K489-F543 HydrophobicContact CB-CZ 3.8Å
490F90.4Very high84Confident0 Ų071 Ų710%038%0.384CS..Hα-helixtrans-62.7-46.6175.1176.2-111.7000111.9L486 N487 N492 F493 I494 L503 F507 M539 F540 F543L486-F490 WeakPolarHBondContact O-CB 3.27Å; L486-F490 PolarHBondContact O-N 3.28Å; N487-F490 PolarHBondContact O-N 3.14Å; F490-N492 PolarHBondContact O-N 2.94Å; F490-F493 WeakPolarHBondContact O-CB 3.47Å; F490-F493 PolarHBondContact O-N 3.43Å; F490-F493 VanDerWaalsContact O-N 3.1Å; F490-I494 HydrophobicContact CD1-CG1 4.46Å; F490-I494 HydrophobicContact CD2-CG1 4.26Å; F490-I494 HydrophobicContact CE1-CG1 4.04Å; F490-I494 HydrophobicContact CE2-CD1 3.75Å; F490-I494 HydrophobicContact CE2-CG1 3.82Å; F490-I494 HydrophobicContact CZ-CD1 3.75Å; F490-I494 HydrophobicContact CZ-CG1 3.71Å; F490-I494 WeakPolarHBondContact O-CG1 3.43Å; F490-I494 PolarHBondContact O-N 2.91Å; F490-L503 HydrophobicContact CE1-CD1 4.12Å; F490-L503 HydrophobicContact CZ-CD1 4.28Å; F490-F507 AromaticContact CE1-CD1 3.9Å; F490-F507 HydrophobicContact CE1-CD1 3.9Å; F490-F507 HydrophobicContact CE1-CE1 4.49Å; F490-M539 HydrophobicContact CE2-CB 4.4Å; F490-M539 HydrophobicContact CZ-CB 4.36Å; F490-F540 HydrophobicContact CB-CD2 4.37Å; F490-F540 HydrophobicContact CB-CE2 4.4Å; F490-F540 HydrophobicContact CD1-CD2 4.27Å; F490-F540 AromaticContact CD2-CD2 3.78Å; F490-F540 HydrophobicContact CD2-CD2 3.78Å; F490-F540 HydrophobicContact CE2-CB 4.05Å; F490-F540 HydrophobicContact CE2-CD2 4.08Å; F490-F540 AromaticContact CG-CD2 3.87Å; F490-F540 HydrophobicContact CG-CD2 3.87Å; F490-F540 HydrophobicContact CG-CE2 4.38Å; F490-F540 HydrophobicContact CZ-CB 4.17Å; F490-F540 HydrophobicContact CZ-CD2 4.44Å; F490-F543 HydrophobicContact CB-CD1 4.06Å; F490-F543 HydrophobicContact CB-CE1 3.91Å; F490-F543 HydrophobicContact CB-CZ 4.28Å; F490-F543 HydrophobicContact CD2-CB 3.87Å; F490-F543 AromaticContact CD2-CD1 3.79Å; F490-F543 HydrophobicContact CD2-CD1 3.79Å; F490-F543 HydrophobicContact CD2-CD2 4.47Å; F490-F543 HydrophobicContact CD2-CE1 4.49Å; F490-F543 AromaticContact CD2-CG 3.78Å; F490-F543 HydrophobicContact CD2-CG 3.78Å; F490-F543 HydrophobicContact CE2-CB 4.23Å; F490-F543 HydrophobicContact CG-CD1 4.37Å
491N88Confident83Confident60 Ų6071 Ų7132%0.32139%0.386SS..Hα-helixtrans-60.8-34.8177.1-73.6-32.8000112.5N487 N488 K495N487-N491 WeakPolarHBondContact O-CB 3.39Å; N487-N491 VanDerWaalsContact O-CG 3.23Å; N487-N491 PolarHBondContact O-N 2.68Å; N487-N491 PolarHBondContact O-ND2 3.28Å; N487-N491 VanDerWaalsContact O-ND2 3.13Å; N488-N491 PolarHBondContact O-N 2.9Å; N491-K495 VanDerWaalsContact O-CG 3.28Å; N491-K495 WeakPolarHBondContact O-CG 3.47Å; N491-K495 PolarHBondContact O-N 3.4Å
492N87.4Confident82.4Confident93 Ų9373.5 Ų73.550%0.49739%0.394SS..Hα-helixtrans-70.6-43.5173.4-69.4-17.3000111.4N488 K489 F490 I494 K495 T496N488-N492 VanDerWaalsContact O-CG 3.28Å; N488-N492 PolarHBondContact O-N 3.45Å; N488-N492 PolarHBondContact O-ND2 3.34Å; K489-N492 PolarHBondContact O-N 3.49Å; F490-N492 PolarHBondContact O-N 2.94Å; N492-I494 VanDerWaalsContact C-N 3.32Å; N492-I494 PolarHBondContact O-N 3.42Å; N492-K495 PolarHBondContact O-N 3.36Å; N492-K495 VanDerWaalsContact O-N 3.08Å; N492-T496 PolarHBondContact O-N 3.11Å; N492-T496 PolarHBondContact O-OG1 3.18Å
493F86.8Confident81.7Confident40 Ų4071 Ų7118%0.17538%0.378CS..Hα-helixtrans-55.8-45.4175.9176.5-100.6000112.1K489 F490 K495 T496 Q497 L542 F543K489-F493 WeakPolarHBondContact O-CB 3.49Å; K489-F493 PolarHBondContact O-N 3.34Å; F490-F493 WeakPolarHBondContact O-CB 3.47Å; F490-F493 PolarHBondContact O-N 3.43Å; F490-F493 VanDerWaalsContact O-N 3.1Å; F493-K495 VanDerWaalsContact C-N 3.3Å; F493-K495 PolarHBondContact O-N 3.42Å; F493-T496 PolarHBondContact O-N 2.81Å; F493-Q497 PolarHBondContact O-N 2.98Å; F493-L542 HydrophobicContact CE1-CD2 4.44Å; F493-L542 HydrophobicContact CZ-CD2 4.28Å; F493-F543 HydrophobicContact CB-CD2 3.73Å; F493-F543 HydrophobicContact CB-CE2 3.99Å; F493-F543 HydrophobicContact CD1-CB 3.95Å; F493-F543 AromaticContact CD1-CD2 3.88Å; F493-F543 HydrophobicContact CD1-CD2 3.88Å; F493-F543 HydrophobicContact CD1-CG 4.28Å; F493-F543 AromaticContact CD2-CD2 4Å; F493-F543 HydrophobicContact CD2-CD2 4Å; F493-F543 HydrophobicContact CE1-CB 3.93Å; F493-F543 HydrophobicContact CE1-CD2 4.44Å; F493-F543 AromaticContact CG-CD2 3.61Å; F493-F543 HydrophobicContact CG-CD2 3.61Å; F493-F543 HydrophobicContact CG-CE2 4.31Å; F493-F543 HydrophobicContact CG-CG 4.45Å
494I84.6Confident80.9Confident17 Ų1774.1 Ų74.19%0.08741%0.409CS..Hα-helixtrans-62.9-35.8176.9-63.3-64.1000112.1F490 N492 V501 L503 M539F490-I494 HydrophobicContact CD1-CG1 4.46Å; F490-I494 HydrophobicContact CD2-CG1 4.26Å; F490-I494 HydrophobicContact CE1-CG1 4.04Å; F490-I494 HydrophobicContact CE2-CD1 3.75Å; F490-I494 HydrophobicContact CE2-CG1 3.82Å; F490-I494 HydrophobicContact CZ-CD1 3.75Å; F490-I494 HydrophobicContact CZ-CG1 3.71Å; F490-I494 WeakPolarHBondContact O-CG1 3.43Å; F490-I494 PolarHBondContact O-N 2.91Å; N492-I494 VanDerWaalsContact C-N 3.32Å; N492-I494 PolarHBondContact O-N 3.42Å; I494-V501 WeakPolarHBondContact CG2-O 3.39Å; I494-L503 HydrophobicContact CG1-CD1 4.49Å; I494-M539 HydrophobicContact CD1-CB 4.21Å; I494-M539 HydrophobicContact CD1-CE 3.96Å
495K82.9Confident80.6Confident162 Ų16274.6 Ų74.670%0.70440%0.404SS*.Hα-helixtrans-74.6-27.9178.4-71.7171.8-175.4177.60113.8N491 N492 F493N491-K495 VanDerWaalsContact O-CG 3.28Å; N491-K495 WeakPolarHBondContact O-CG 3.47Å; N491-K495 PolarHBondContact O-N 3.4Å; N492-K495 PolarHBondContact O-N 3.36Å; N492-K495 VanDerWaalsContact O-N 3.08Å; F493-K495 VanDerWaalsContact C-N 3.3Å; F493-K495 PolarHBondContact O-N 3.42Å
496T80.2Confident80.3Confident118 Ų11876.8 Ų76.872%0.72443%0.425SS*.Hα-helixtrans-91-10.3-173.4-530000113.2N492 F493N492-T496 PolarHBondContact O-N 3.11Å; N492-T496 PolarHBondContact O-OG1 3.18Å; F493-T496 PolarHBondContact O-N 2.81Å
497Q74.8Confident80Confident49 Ų4977.8 Ų77.823%0.22943%0.429CS..SBendtrans-64.2141.5174.8-73.8-172.3-8.100111.6F493 T499F493-Q497 PolarHBondContact O-N 2.98Å; Q497-T499 CarbonylContact O-C 3.59Å; Q497-T499 PolarHBondContact O-N 3.19Å; Q497-T499 VanDerWaalsContact O-N 3.09Å
498E60.6Low79.8Confident209 Ų20983.9 Ų83.998%0.97746%0.457SS*.SBendtrans-58.8-23.3-178.5-69.2-177.5161.600113.2
499T61.4Low79.8Confident102 Ų10280.2 Ų80.263%0.62644%0.438SS*.SBendtrans-108.9126.316842.30000108.8Q497 V501Q497-T499 CarbonylContact O-C 3.59Å; Q497-T499 PolarHBondContact O-N 3.19Å; Q497-T499 VanDerWaalsContact O-N 3.09Å; T499-V501 PolarHBondContact O-N 2.96Å
500V64.2Low79.8Confident135 Ų13580.4 Ų80.482%0.81844%0.436SS*.  trans-67.398.4175.6-179.60000108.1D502V500-D502 PolarHBondContact O-N 3.34Å; V500-D502 VanDerWaalsContact O-N 3.08Å
501V70Confident79.8Confident24 Ų2481.6 Ų81.615%0.14544%0.444CS..  trans-77.495.4175-177.20000108.1I494 T499 L503 M539I494-V501 WeakPolarHBondContact CG2-O 3.39Å; T499-V501 PolarHBondContact O-N 2.96Å; V501-L503 HydrophobicContact CG1-CD2 4.3Å; V501-L503 PolarHBondContact O-N 3.29Å; V501-M539 HydrophobicContact CG1-CE 4.35Å; V501-M539 HydrophobicContact CG1-CG 4.46Å; V501-M539 HydrophobicContact CG2-CE 4.2Å
502D74.6Confident79.9Confident119 Ų11981 Ų8164%0.63644%0.44SS*.  trans-72.1119.6168.5-169.77.1000109.4V500 G504 K535V500-D502 PolarHBondContact O-N 3.34Å; V500-D502 VanDerWaalsContact O-N 3.08Å; D502-G504 VanDerWaalsContact C-N 3.34Å; D502-G504 PolarHBondContact OD1-N 2.9Å; D502-K535 PolarHBondContact O-NZ 3.43Å
503L75.3Confident80.1Confident26 Ų2680.8 Ų80.814%0.13644%0.436CS..  trans-80.2-18.9175.9-65.4177.4000111.4F490 I494 V501 I505 M539F490-L503 HydrophobicContact CE1-CD1 4.12Å; F490-L503 HydrophobicContact CZ-CD1 4.28Å; I494-L503 HydrophobicContact CG1-CD1 4.49Å; V501-L503 HydrophobicContact CG1-CD2 4.3Å; V501-L503 PolarHBondContact O-N 3.29Å; L503-I505 PolarHBondContact O-N 3.5Å; L503-M539 HydrophobicContact CD2-CG 4.43Å
504G73.4Confident80Confident64 Ų6482.7 Ų82.766%0.6646%0.459SS*.SBendtrans67.8-6.5-177.400000115D502D502-G504 VanDerWaalsContact C-N 3.34Å; D502-G504 PolarHBondContact OD1-N 2.9Å
505I82.7Confident79.9Confident62 Ų6285 Ų8532%0.31849%0.487SS..SBendtrans-136.1151.3-179.464.2175.6000111.6L503 F507 L533 S536L503-I505 PolarHBondContact O-N 3.5Å; I505-F507 PolarHBondContact O-N 3.31Å; I505-L533 HydrophobicContact CD1-CD2 3.56Å; I505-S536 WeakPolarHBondContact CD1-OG 3.43Å
506S84.1Confident80.1Confident118 Ų11877.7 Ų77.783%0.82546%0.457SS*.  trans-78114.2166.4-176.90000108.8
507F86.3Confident80.5Confident32 Ų3272.6 Ų72.614%0.1442%0.424CS..  trans-113.2128.6-175.9-173.3-106.4000110.8F490 I505 I509 F540 W555F490-F507 AromaticContact CE1-CD1 3.9Å; F490-F507 HydrophobicContact CE1-CD1 3.9Å; F490-F507 HydrophobicContact CE1-CE1 4.49Å; I505-F507 PolarHBondContact O-N 3.31Å; F507-I509 HydrophobicContact CE1-CB 4.06Å; F507-I509 HydrophobicContact CZ-CB 4.32Å; F507-F540 HydrophobicContact CE1-CB 4.1Å; F507-F540 HydrophobicContact CE1-CD2 4.45Å; F507-F540 HydrophobicContact CE1-CG 4.32Å; F507-W555 HydrophobicContact CZ-CH2 4.29Å; F507-W555 HydrophobicContact CZ-CZ3 4.4Å
508Q87.3Confident80.8Confident141 Ų14172.1 Ų72.166%0.65943%0.426SS*.  trans-132.7137.7173.4-69.6-176.7-12.500108.8N487N487-Q508 WeakPolarHBondContact OD1-CA 3.29Å
509I90Very high81.6Confident17 Ų1763.9 Ų63.99%0.08739%0.388CS..  trans-128144-178.4-160.7-177.6000112.1N487 F507 F540 W555N487-I509 PolarHBondContact ND2-O 3.35Å; N487-I509 WeakPolarHBondContact OD1-CG2 3.42Å; N487-I509 PolarHBondContact OD1-N 2.98Å; F507-I509 HydrophobicContact CE1-CB 4.06Å; F507-I509 HydrophobicContact CZ-CB 4.32Å; I509-F540 HydrophobicContact CD1-CD1 3.38Å; I509-F540 HydrophobicContact CD1-CD2 4.35Å; I509-F540 HydrophobicContact CD1-CE1 3.25Å; I509-F540 HydrophobicContact CD1-CE2 4.25Å; I509-F540 HydrophobicContact CD1-CG 3.94Å; I509-F540 HydrophobicContact CD1-CZ 3.72Å; I509-F540 HydrophobicContact CG2-CD2 3.93Å; I509-F540 HydrophobicContact CG2-CE1 4.23Å; I509-F540 HydrophobicContact CG2-CE2 3.42Å; I509-F540 VanDerWaalsContact CG2-CE2 3.42Å; I509-F540 HydrophobicContact CG2-CZ 3.58Å; I509-W555 HydrophobicContact CD1-CH2 3.35Å; I509-W555 HydrophobicContact CD1-CZ2 4.33Å; I509-W555 HydrophobicContact CD1-CZ3 3.5Å; I509-W555 VanDerWaalsContact CD1-CZ3 3.5Å; I509-W555 HydrophobicContact CG1-CH2 4.38Å; I509-W555 HydrophobicContact CG1-CZ3 4.1Å
510Y90.6Very high81.6Confident101 Ų10163 Ų6340%0.39638%0.382SS..  trans-109.4120.5169.6-59.2-46.1000109.8M480M480-Y510 HydrophobicContact SD-CD1 3.61Å; M480-Y510 HydrophobicContact SD-CE1 3.51Å; M480-Y510 VanDerWaalsContact SD-CE1 3.51Å; M480-Y510 HydrophobicContact SD-CE2 4.49Å; M480-Y510 HydrophobicContact SD-CG 4.17Å
511V90.9Very high81.3Confident25 Ų2562.7 Ų62.715%0.15237%0.372CS..  trans-99.2106.3177-1790000107.9S483 L486 F540 Y544S483-V511 PolarHBondContact OG-N 3.44Å; S483-V511 PolarHBondContact OG-O 2.81Å; L486-V511 HydrophobicContact CD1-CB 4.05Å; L486-V511 HydrophobicContact CD1-CG2 4Å; V511-F540 HydrophobicContact CG2-CE1 4.34Å; V511-F540 HydrophobicContact CG2-CZ 3.92Å; V511-Y544 HydrophobicContact CG1-CE2 3.89Å; V511-Y544 HydrophobicContact CG2-CE2 4.2Å
512L90.9Very high80.5Confident46 Ų4665.3 Ų65.324%0.24139%0.388CS..  trans-113.4138-170.6-52.4-175.3000111.1I444 D479 A514 W517 L519I444-L512 HydrophobicContact CD1-CD1 4.21Å; I444-L512 HydrophobicContact CG1-CD1 4.35Å; D479-L512 HydrophobicContact CB-CD2 4.22Å; L512-A514 PolarHBondContact O-N 2.97Å; L512-W517 HydrophobicContact CB-CD2 4.17Å; L512-W517 HydrophobicContact CB-CG 4.16Å; L512-W517 HydrophobicContact CD1-CD2 3.88Å; L512-W517 HydrophobicContact CD1-CE3 3.87Å; L512-W517 HydrophobicContact CD1-CH2 4.09Å; L512-W517 HydrophobicContact CD1-CZ2 4.1Å; L512-W517 HydrophobicContact CD1-CZ3 3.97Å; L512-W517 HydrophobicContact CD2-CD2 4.42Å; L512-W517 HydrophobicContact CD2-CH2 3.94Å; L512-W517 HydrophobicContact CD2-CZ2 3.39Å; L512-W517 HydrophobicContact CG-CD2 4.37Å; L512-W517 HydrophobicContact CG-CZ2 4.2Å; L512-L519 HydrophobicContact CD1-CD1 4.06Å
513Q89.8Confident79.3Confident89 Ų8964.9 Ų64.942%0.41639%0.391SS..  trans-79.9115.9179.9-63.2178.928.600111.8R475 D479 G515 A516 W517R475-Q513 VanDerWaalsContact CD-OE1 3.23Å; D479-Q513 PolarHBondContact OD1-NE2 3.3Å; D479-Q513 WeakPolarHBondContact OD2-CG 3.45Å; D479-Q513 PolarHBondContact OD2-N 3.48Å; Q513-G515 PolarHBondContact O-N 3.32Å; Q513-A516 HydrophobicContact CB-CB 4.41Å; Q513-A516 PolarHBondContact O-N 2.71Å; Q513-W517 VanDerWaalsContact O-CD1 3.3Å; Q513-W517 PolarHBondContact O-N 3.02Å
514A84.7Confident78.1Confident81 Ų8168.9 Ų68.967%0.66942%0.422SS*.THydrogen-bonded Turntrans-52.4-33.5-175.500000114.8L512 A516L512-A514 PolarHBondContact O-N 2.97Å; A514-A516 PolarHBondContact O-N 3.44Å
515G84.3Confident77.3Confident65 Ų6567.3 Ų67.367%0.6740%0.4SS*.THydrogen-bonded Turntrans-76.9-16.5-179.700000115.7Q513Q513-G515 PolarHBondContact O-N 3.32Å
516A85.5Confident76.5Confident8 Ų869 Ų697%0.06641%0.414CS..THydrogen-bonded Turntrans-100.2-29.9-176.400000113R475 Q513 A514R475-A516 HydrophobicContact CB-CB 4Å; R475-A516 HydrophobicContact CG-CB 3.77Å; Q513-A516 HydrophobicContact CB-CB 4.41Å; Q513-A516 PolarHBondContact O-N 2.71Å; A514-A516 PolarHBondContact O-N 3.44Å
517W89Confident76.4Confident12 Ų1264.2 Ų64.25%0.04538%0.378CS..SBendtrans-93.5135.4-173.7-71.274.5000111.6A440 L443 I444 M476 D479 M480 L512 Q513 L519A440-W517 HydrophobicContact CB-CE3 3.72Å; A440-W517 HydrophobicContact CB-CZ3 3.81Å; L443-W517 HydrophobicContact CB-CH2 4.11Å; L443-W517 HydrophobicContact CB-CZ3 4.47Å; L443-W517 HydrophobicContact CD1-CH2 3.97Å; I444-W517 HydrophobicContact CD1-CE3 4.22Å; I444-W517 HydrophobicContact CD1-CZ3 3.85Å; I444-W517 HydrophobicContact CG1-CH2 4.39Å; I444-W517 HydrophobicContact CG1-CZ3 3.81Å; M476-W517 HydrophobicContact CB-CD2 4.25Å; M476-W517 HydrophobicContact CB-CH2 4.15Å; M476-W517 HydrophobicContact CB-CZ2 3.65Å; M476-W517 HydrophobicContact CG-CD2 3.65Å; M476-W517 HydrophobicContact CG-CE3 4.2Å; M476-W517 HydrophobicContact CG-CG 3.88Å; M476-W517 HydrophobicContact CG-CZ2 4.01Å; M476-W517 VanDerWaalsContact O-CZ2 3.32Å; M476-W517 WeakPolarHBondContact O-CZ2 3.24Å; M476-W517 HydrophobicContact SD-CD2 3.87Å; M476-W517 HydrophobicContact SD-CE3 3.9Å; M476-W517 HydrophobicContact SD-CG 4.21Å; M476-W517 HydrophobicContact SD-CZ3 4.36Å; D479-W517 HydrophobicContact CB-CZ2 4.24Å; D479-W517 PolarHBondContact OD2-NE1 3.47Å; M480-W517 HydrophobicContact CE-CH2 4.2Å; L512-W517 HydrophobicContact CB-CD2 4.17Å; L512-W517 HydrophobicContact CB-CG 4.16Å; L512-W517 HydrophobicContact CD1-CD2 3.88Å; L512-W517 HydrophobicContact CD1-CE3 3.87Å; L512-W517 HydrophobicContact CD1-CH2 4.09Å; L512-W517 HydrophobicContact CD1-CZ2 4.1Å; L512-W517 HydrophobicContact CD1-CZ3 3.97Å; L512-W517 HydrophobicContact CD2-CD2 4.42Å; L512-W517 HydrophobicContact CD2-CH2 3.94Å; L512-W517 HydrophobicContact CD2-CZ2 3.39Å; L512-W517 HydrophobicContact CG-CD2 4.37Å; L512-W517 HydrophobicContact CG-CZ2 4.2Å; Q513-W517 VanDerWaalsContact O-CD1 3.3Å; Q513-W517 PolarHBondContact O-N 3.02Å; W517-L519 HydrophobicContact CB-CD1 4Å; W517-L519 HydrophobicContact CB-CG 3.97Å; W517-L519 HydrophobicContact CE3-CD1 4.31Å; W517-L519 PolarHBondContact O-N 2.72Å
518P82.1Confident76.3Confident39 Ų3964.5 Ų64.525%0.25339%0.387SS..  trans-81.249177.636-37000111.3A436 R437 A440A436-P518 HydrophobicContact CB-CG 4.14Å; R437-P518 HydrophobicContact CB-CG 4.23Å; A440-P518 HydrophobicContact CB-CG 4.07Å
519L75.6Confident76.1Confident36 Ų3660 Ų6019%0.18837%0.366CS..  trans-94.8106178.3-60.4175000107.3I444 L512 W517 H521 L556 L559I444-L519 HydrophobicContact CD1-CD1 4.38Å; I444-L519 HydrophobicContact CD1-CD2 4.15Å; L512-L519 HydrophobicContact CD1-CD1 4.06Å; W517-L519 HydrophobicContact CB-CD1 4Å; W517-L519 HydrophobicContact CB-CG 3.97Å; W517-L519 HydrophobicContact CE3-CD1 4.31Å; W517-L519 PolarHBondContact O-N 2.72Å; L519-H521 PolarHBondContact O-N 3.5Å; L519-L556 HydrophobicContact CB-CD1 4.25Å; L519-L556 HydrophobicContact CD1-CD1 3.65Å; L519-L559 HydrophobicContact CD1-CD1 3.85Å; L519-L559 HydrophobicContact CD2-CD1 3.65Å; L519-L559 HydrophobicContact CG-CD1 4.28Å
520T63.3Low75.8Confident83 Ų8360 Ų6051%0.50937%0.367SS..  trans-61.5126.4174.7-34.30000107.8V522 Y558T520-V522 PolarHBondContact O-N 2.71Å; T520-Y558 PolarHBondContact O-OH 3.01Å
521H56Low75.4Confident128 Ų12862.8 Ų62.859%0.59338%0.384SS*.  trans-63.591.2164.5-77.1-84.4000107.1L519L519-H521 PolarHBondContact O-N 3.5Å
522V54.9Low75Confident79 Ų7965.8 Ų65.848%0.47940%0.396SS..  trans-57.3127.8159.1-174.50000104.4T520 S524 Y558T520-V522 PolarHBondContact O-N 2.71Å; V522-S524 PolarHBondContact O-N 3.09Å; V522-Y558 HydrophobicContact CG2-CE1 4.49Å
523P48.4Very low74.7Confident110 Ų11065 Ų6571%0.71439%0.393SS*.  trans-49.3122.8176.819.5-30.8000106.9S525P523-S525 PolarHBondContact O-N 3.44Å
524S49.6Very low74.5Confident111 Ų11165 Ų6578%0.77639%0.393SS*.  trans-38.8102.4-170.8-40.70000108.9V522 T526V522-S524 PolarHBondContact O-N 3.09Å; S524-T526 PolarHBondContact O-N 3.05Å
525S56.8Low74.6Confident30 Ų3065.9 Ų65.921%0.2138%0.381CS..  trans-60.2127.6164.550.50000104.1P523 F527 Y580P523-S525 PolarHBondContact O-N 3.44Å; S525-F527 PolarHBondContact O-N 3.46Å; S525-Y580 PolarHBondContact OG-OH 3.32Å
526T67.3Low74.8Confident99 Ų9962.8 Ų62.861%0.60735%0.349SS*.  trans-69.858.9177.843.50000108.2S524 A528 Q604S524-T526 PolarHBondContact O-N 3.05Å; T526-A528 PolarHBondContact O-N 3.32Å; T526-Q604 CarbonylContact C-O 3.59Å; T526-Q604 CarbonylContact O-C 3.58Å; T526-Q604 WeakPolarHBondContact O-CB 3.35Å; T526-Q604 PolarHBondContact OG1-O 3.04Å
527F81.9Confident75Confident17 Ų1763.1 Ų63.18%0.07535%0.351CS..  trans-73.6120.5-174.1173.9-108000109.5S525 I529 H557 T579 Y580 A583 T603 M605S525-F527 PolarHBondContact O-N 3.46Å; F527-I529 HydrophobicContact CD1-CG1 4.14Å; F527-I529 HydrophobicContact CE1-CG1 4.24Å; F527-I529 PolarHBondContact O-N 3.45Å; F527-H557 HydrophobicContact CD1-CB 3.9Å; F527-H557 AromaticContact CD1-CD2 3.77Å; F527-H557 AromaticContact CD1-CG 3.71Å; F527-H557 HydrophobicContact CE1-CB 4.31Å; F527-T579 HydrophobicContact CE1-CG2 3.75Å; F527-T579 HydrophobicContact CZ-CG2 3.9Å; F527-Y580 HydrophobicContact CB-CE1 4.09Å; F527-Y580 HydrophobicContact CD1-CE1 4.34Å; F527-Y580 AromaticContact CD2-CD1 3.59Å; F527-Y580 HydrophobicContact CD2-CD1 3.59Å; F527-Y580 AromaticContact CD2-CE1 3.57Å; F527-Y580 HydrophobicContact CD2-CE1 3.57Å; F527-Y580 AromaticContact CE2-CD1 3.61Å; F527-Y580 HydrophobicContact CE2-CD1 3.61Å; F527-Y580 HydrophobicContact CE2-CE1 4.05Å; F527-Y580 HydrophobicContact CG-CD1 4.16Å; F527-Y580 AromaticContact CG-CE1 3.72Å; F527-Y580 HydrophobicContact CG-CE1 3.72Å; F527-Y580 HydrophobicContact CZ-CD1 4.18Å; F527-A583 HydrophobicContact CE2-CB 3.54Å; F527-A583 HydrophobicContact CZ-CB 3.55Å; F527-T603 WeakPolarHBondContact CA-O 3.38Å; F527-T603 WeakPolarHBondContact CD2-O 3.49Å; F527-M605 HydrophobicContact CD2-CG 3.82Å; F527-M605 HydrophobicContact CD2-SD 4.27Å; F527-M605 HydrophobicContact CE2-CG 4.37Å; F527-M605 HydrophobicContact CE2-SD 4.29Å
528A83.5Confident74.9Confident38 Ų3867.4 Ų67.431%0.31437%0.371SS..  trans-75.2114.9171.200000108.9T526 G602 T603 Q604T526-A528 PolarHBondContact O-N 3.32Å; A528-G602 WeakPolarHBondContact CB-O 3.23Å; A528-T603 PolarHBondContact N-O 3.46Å; A528-Q604 HydrophobicContact CB-CB 4.28Å; A528-Q604 HydrophobicContact CB-CG 4.18Å
529I83.5Confident75.2Confident45 Ų4567 Ų6723%0.23137%0.366CS..  trans-71.4131.1178.8-58.9171.8000108.2F527 L533 V537 H557F527-I529 HydrophobicContact CD1-CG1 4.14Å; F527-I529 HydrophobicContact CE1-CG1 4.24Å; F527-I529 PolarHBondContact O-N 3.45Å; I529-L533 HydrophobicContact CG2-CB 3.68Å; I529-L533 HydrophobicContact CG2-CD1 4.25Å; I529-V537 HydrophobicContact CD1-CG1 4.49Å; I529-V537 HydrophobicContact CD1-CG2 4.48Å; I529-H557 VanDerWaalsContact CD1-CE1 3.4Å; I529-H557 WeakPolarHBondContact CD1-CE1 3.29Å
530P83.3Confident75.9Confident17 Ų1765.3 Ų65.311%0.1136%0.357CS..  trans-55.6143175.1-26.234.7000112.2E532 L533 E534 A583 L586P530-E532 WeakPolarHBondContact CB-OE2 3.44Å; P530-E532 PolarHBondContact O-N 3.42Å; P530-E532 VanDerWaalsContact O-N 3.11Å; P530-L533 HydrophobicContact CG-CD1 4.38Å; P530-L533 PolarHBondContact O-N 3.25Å; P530-E534 PolarHBondContact O-N 3Å; P530-A583 HydrophobicContact CG-CB 3.9Å; P530-L586 HydrophobicContact CB-CD1 3.55Å; P530-L586 HydrophobicContact CG-CD1 3.81Å
531Q82.8Confident77.2Confident161 Ų16164.7 Ų64.775%0.75235%0.349SS*.Hα-helixtrans-55.9-33.3-175.5-68.3-176.8-13.200112.3L533 E534Q531-L533 PolarHBondContact O-N 3.43Å; Q531-E534 PolarHBondContact O-N 3.44Å
532E81.4Confident78.8Confident87 Ų8762.4 Ų62.441%0.40734%0.34SS..Hα-helixtrans-64.1-26.5178.3-58.287.3165.300113P530P530-E532 WeakPolarHBondContact CB-OE2 3.44Å; P530-E532 PolarHBondContact O-N 3.42Å; P530-E532 VanDerWaalsContact O-N 3.11Å
533L84.9Confident80.6Confident30 Ų3058.7 Ų58.716%0.15732%0.318CS..Hα-helixtrans-96-25.8178.8-54.1-178.8000112.9I505 I529 P530 Q531 K535 S536 V537 T579 M582I505-L533 HydrophobicContact CD1-CD2 3.56Å; I529-L533 HydrophobicContact CG2-CB 3.68Å; I529-L533 HydrophobicContact CG2-CD1 4.25Å; P530-L533 HydrophobicContact CG-CD1 4.38Å; P530-L533 PolarHBondContact O-N 3.25Å; Q531-L533 PolarHBondContact O-N 3.43Å; L533-K535 VanDerWaalsContact C-N 3.31Å; L533-K535 PolarHBondContact O-N 3.03Å; L533-S536 WeakPolarHBondContact O-CB 3.43Å; L533-S536 PolarHBondContact O-N 2.85Å; L533-V537 PolarHBondContact O-N 3.35Å; L533-V537 VanDerWaalsContact O-N 3.12Å; L533-T579 HydrophobicContact CD1-CG2 4.45Å; L533-M582 HydrophobicContact CD1-CE 3.22Å; L533-M582 HydrophobicContact CD2-CE 3.72Å; L533-M582 HydrophobicContact CG-CE 3.9Å
534E86.3Confident82.6Confident90 Ų9054 Ų5442%0.42129%0.286SS..Hα-helixtrans-55.6-45.6-172.1-173.3179.5-173.700111.8P530 Q531 S536 V537 Q538P530-E534 PolarHBondContact O-N 3Å; Q531-E534 PolarHBondContact O-N 3.44Å; E534-S536 VanDerWaalsContact C-N 3.3Å; E534-S536 PolarHBondContact O-N 3.14Å; E534-V537 PolarHBondContact O-N 3.42Å; E534-Q538 HydrophobicContact CG-CG 4.42Å; E534-Q538 WeakPolarHBondContact O-CG 3.4Å; E534-Q538 PolarHBondContact O-N 3.28Å; E534-Q538 PolarHBondContact OE1-NE2 2.91Å; E534-Q538 VanDerWaalsContact OE1-NE2 3.09Å
535K87Confident84.6Confident98 Ų9853.4 Ų53.443%0.42627%0.274SS..Hα-helixtrans-57.2-42.3177.2-171.4-177.9-177.8-171.30112.4D502 L533 M539D502-K535 PolarHBondContact O-NZ 3.43Å; L533-K535 VanDerWaalsContact C-N 3.31Å; L533-K535 PolarHBondContact O-N 3.03Å; K535-M539 WeakPolarHBondContact O-CB 3.46Å; K535-M539 VanDerWaalsContact O-CG 3.24Å; K535-M539 WeakPolarHBondContact O-CG 3.26Å; K535-M539 PolarHBondContact O-N 3.12Å
536S88.1Confident86.2Confident0 Ų057.5 Ų57.50%029%0.29CS..Hα-helixtrans-67.7-40-179.8-63.50000111.8I505 L533 E534 F540I505-S536 WeakPolarHBondContact CD1-OG 3.43Å; L533-S536 WeakPolarHBondContact O-CB 3.43Å; L533-S536 PolarHBondContact O-N 2.85Å; E534-S536 VanDerWaalsContact C-N 3.3Å; E534-S536 PolarHBondContact O-N 3.14Å; S536-F540 WeakPolarHBondContact O-CB 3.17Å; S536-F540 PolarHBondContact O-N 3.41Å
537V88.5Confident87.2Confident16 Ų1658.1 Ų58.110%0.09729%0.286CS..Hα-helixtrans-62.4-50.4176168.20000110.7I529 L533 E534 M539 F540 E541 W555I529-V537 HydrophobicContact CD1-CG1 4.49Å; I529-V537 HydrophobicContact CD1-CG2 4.48Å; L533-V537 PolarHBondContact O-N 3.35Å; L533-V537 VanDerWaalsContact O-N 3.12Å; E534-V537 PolarHBondContact O-N 3.42Å; V537-M539 PolarHBondContact O-N 2.95Å; V537-F540 PolarHBondContact O-N 3.22Å; V537-E541 WeakPolarHBondContact O-CG 3.47Å; V537-E541 PolarHBondContact O-N 2.82Å; V537-W555 HydrophobicContact CB-CH2 4.45Å; V537-W555 HydrophobicContact CB-CZ2 4.34Å; V537-W555 HydrophobicContact CG1-CD2 4.45Å; V537-W555 HydrophobicContact CG1-CH2 4.14Å; V537-W555 HydrophobicContact CG1-CZ2 3.59Å; V537-W555 HydrophobicContact CG2-CH2 4.18Å; V537-W555 HydrophobicContact CG2-CZ2 4.45Å; V537-W555 HydrophobicContact CG2-CZ3 4.35Å
538Q88.3Confident87.6Confident102 Ų10260 Ų6048%0.47729%0.294SS..Hα-helixtrans-61.6-45-179.7-69.8175.3-100112.3E534 F540 E541 L542E534-Q538 HydrophobicContact CG-CG 4.42Å; E534-Q538 WeakPolarHBondContact O-CG 3.4Å; E534-Q538 PolarHBondContact O-N 3.28Å; E534-Q538 PolarHBondContact OE1-NE2 2.91Å; E534-Q538 VanDerWaalsContact OE1-NE2 3.09Å; Q538-F540 VanDerWaalsContact C-N 3.29Å; Q538-F540 PolarHBondContact O-N 3.48Å; Q538-E541 PolarHBondContact O-N 3.15Å; Q538-L542 PolarHBondContact O-N 3.29Å
539M88.1Confident87.8Confident31 Ų3163.8 Ų63.815%0.15332%0.318CS..Hα-helixtrans-64.3-36.2177.8-70.5-58.4-6600112F490 I494 V501 L503 K535 V537 F543F490-M539 HydrophobicContact CE2-CB 4.4Å; F490-M539 HydrophobicContact CZ-CB 4.36Å; I494-M539 HydrophobicContact CD1-CB 4.21Å; I494-M539 HydrophobicContact CD1-CE 3.96Å; V501-M539 HydrophobicContact CG1-CE 4.35Å; V501-M539 HydrophobicContact CG1-CG 4.46Å; V501-M539 HydrophobicContact CG2-CE 4.2Å; L503-M539 HydrophobicContact CD2-CG 4.43Å; K535-M539 WeakPolarHBondContact O-CB 3.46Å; K535-M539 VanDerWaalsContact O-CG 3.24Å; K535-M539 WeakPolarHBondContact O-CG 3.26Å; K535-M539 PolarHBondContact O-N 3.12Å; V537-M539 PolarHBondContact O-N 2.95Å; M539-F543 WeakPolarHBondContact O-CB 3.48Å; M539-F543 PolarHBondContact O-N 3.36Å; M539-F543 VanDerWaalsContact O-N 3.08Å
540F90.8Very high88Confident0 Ų066.1 Ų66.10%035%0.353CS..Hα-helixtrans-68.2-42174.4-175.5-92.3000112.2F490 F507 I509 V511 S536 V537 Q538 L542 F543 Y544 L553 W555F490-F540 HydrophobicContact CB-CD2 4.37Å; F490-F540 HydrophobicContact CB-CE2 4.4Å; F490-F540 HydrophobicContact CD1-CD2 4.27Å; F490-F540 AromaticContact CD2-CD2 3.78Å; F490-F540 HydrophobicContact CD2-CD2 3.78Å; F490-F540 HydrophobicContact CE2-CB 4.05Å; F490-F540 HydrophobicContact CE2-CD2 4.08Å; F490-F540 AromaticContact CG-CD2 3.87Å; F490-F540 HydrophobicContact CG-CD2 3.87Å; F490-F540 HydrophobicContact CG-CE2 4.38Å; F490-F540 HydrophobicContact CZ-CB 4.17Å; F490-F540 HydrophobicContact CZ-CD2 4.44Å; F507-F540 HydrophobicContact CE1-CB 4.1Å; F507-F540 HydrophobicContact CE1-CD2 4.45Å; F507-F540 HydrophobicContact CE1-CG 4.32Å; I509-F540 HydrophobicContact CD1-CD1 3.38Å; I509-F540 HydrophobicContact CD1-CD2 4.35Å; I509-F540 HydrophobicContact CD1-CE1 3.25Å; I509-F540 HydrophobicContact CD1-CE2 4.25Å; I509-F540 HydrophobicContact CD1-CG 3.94Å; I509-F540 HydrophobicContact CD1-CZ 3.72Å; I509-F540 HydrophobicContact CG2-CD2 3.93Å; I509-F540 HydrophobicContact CG2-CE1 4.23Å; I509-F540 HydrophobicContact CG2-CE2 3.42Å; I509-F540 VanDerWaalsContact CG2-CE2 3.42Å; I509-F540 HydrophobicContact CG2-CZ 3.58Å; V511-F540 HydrophobicContact CG2-CE1 4.34Å; V511-F540 HydrophobicContact CG2-CZ 3.92Å; S536-F540 WeakPolarHBondContact O-CB 3.17Å; S536-F540 PolarHBondContact O-N 3.41Å; V537-F540 PolarHBondContact O-N 3.22Å; Q538-F540 VanDerWaalsContact C-N 3.29Å; Q538-F540 PolarHBondContact O-N 3.48Å; F540-L542 VanDerWaalsContact C-N 3.33Å; F540-L542 PolarHBondContact O-N 2.98Å; F540-F543 HydrophobicContact CD2-CD1 4.18Å; F540-F543 AromaticContact CE2-CD1 3.94Å; F540-F543 HydrophobicContact CE2-CD1 3.94Å; F540-F543 HydrophobicContact CE2-CE1 4.21Å; F540-F543 PolarHBondContact O-N 3.44Å; F540-Y544 AromaticContact CE1-CD2 3.97Å; F540-Y544 HydrophobicContact CE1-CD2 3.97Å; F540-Y544 HydrophobicContact CE1-CG 4.25Å; F540-Y544 AromaticContact CZ-CD2 3.9Å; F540-Y544 HydrophobicContact CZ-CD2 3.9Å; F540-Y544 WeakPolarHBondContact O-CB 3.24Å; F540-Y544 PolarHBondContact O-N 3.1Å; F540-L553 HydrophobicContact CD1-CD1 4.19Å; F540-L553 HydrophobicContact CE1-CD1 3.95Å; F540-W555 HydrophobicContact CD1-CH2 4.07Å; F540-W555 HydrophobicContact CD1-CZ2 4.28Å
541E90.5Very high88.2Confident70 Ų7072.2 Ų72.233%0.32737%0.374SS..Hα-helixtrans-61.1-41.8175.6-72.2-173.616500111.9V537 Q538 Y544 N545 L553 W555V537-E541 WeakPolarHBondContact O-CG 3.47Å; V537-E541 PolarHBondContact O-N 2.82Å; Q538-E541 PolarHBondContact O-N 3.15Å; E541-Y544 PolarHBondContact O-N 2.97Å; E541-N545 VanDerWaalsContact O-CB 3.3Å; E541-N545 WeakPolarHBondContact O-CB 3.39Å; E541-N545 PolarHBondContact O-N 2.99Å; E541-N545 PolarHBondContact O-ND2 3.22Å; E541-N545 VanDerWaalsContact O-ND2 3.13Å; E541-L553 HydrophobicContact CG-CD1 4.26Å; E541-W555 HydrophobicContact CG-CZ2 4.03Å; E541-W555 PolarHBondContact OE1-NE1 3.25Å
542L89.8Confident88.4Confident79 Ų7973.6 Ų73.641%0.41438%0.378SS..Hα-helixtrans-57.4-53.1173.9-174.290000110.9F493 Q538 F540 Y544 N545 Q546F493-L542 HydrophobicContact CE1-CD2 4.44Å; F493-L542 HydrophobicContact CZ-CD2 4.28Å; Q538-L542 PolarHBondContact O-N 3.29Å; F540-L542 VanDerWaalsContact C-N 3.33Å; F540-L542 PolarHBondContact O-N 2.98Å; L542-Y544 VanDerWaalsContact C-N 3.34Å; L542-Y544 PolarHBondContact O-N 3.23Å; L542-N545 PolarHBondContact O-N 3.38Å; L542-Q546 VanDerWaalsContact O-CG 3.31Å; L542-Q546 WeakPolarHBondContact O-CG 3.3Å; L542-Q546 PolarHBondContact O-N 3.1Å; L542-Q546 VanDerWaalsContact O-N 3.11Å
543F91.4Very high88.7Confident2 Ų271.3 Ų71.31%0.00937%0.368CS..Hα-helixtrans-56.9-46.6177.3164.7-102.1000111.7K489 F490 F493 M539 F540 Q546 H547K489-F543 HydrophobicContact CB-CE2 4.39Å; K489-F543 HydrophobicContact CB-CZ 3.8Å; F490-F543 HydrophobicContact CB-CD1 4.06Å; F490-F543 HydrophobicContact CB-CE1 3.91Å; F490-F543 HydrophobicContact CB-CZ 4.28Å; F490-F543 HydrophobicContact CD2-CB 3.87Å; F490-F543 AromaticContact CD2-CD1 3.79Å; F490-F543 HydrophobicContact CD2-CD1 3.79Å; F490-F543 HydrophobicContact CD2-CD2 4.47Å; F490-F543 HydrophobicContact CD2-CE1 4.49Å; F490-F543 AromaticContact CD2-CG 3.78Å; F490-F543 HydrophobicContact CD2-CG 3.78Å; F490-F543 HydrophobicContact CE2-CB 4.23Å; F490-F543 HydrophobicContact CG-CD1 4.37Å; F493-F543 HydrophobicContact CB-CD2 3.73Å; F493-F543 HydrophobicContact CB-CE2 3.99Å; F493-F543 HydrophobicContact CD1-CB 3.95Å; F493-F543 AromaticContact CD1-CD2 3.88Å; F493-F543 HydrophobicContact CD1-CD2 3.88Å; F493-F543 HydrophobicContact CD1-CG 4.28Å; F493-F543 AromaticContact CD2-CD2 4Å; F493-F543 HydrophobicContact CD2-CD2 4Å; F493-F543 HydrophobicContact CE1-CB 3.93Å; F493-F543 HydrophobicContact CE1-CD2 4.44Å; F493-F543 AromaticContact CG-CD2 3.61Å; F493-F543 HydrophobicContact CG-CD2 3.61Å; F493-F543 HydrophobicContact CG-CE2 4.31Å; F493-F543 HydrophobicContact CG-CG 4.45Å; M539-F543 WeakPolarHBondContact O-CB 3.48Å; M539-F543 PolarHBondContact O-N 3.36Å; M539-F543 VanDerWaalsContact O-N 3.08Å; F540-F543 HydrophobicContact CD2-CD1 4.18Å; F540-F543 AromaticContact CE2-CD1 3.94Å; F540-F543 HydrophobicContact CE2-CD1 3.94Å; F540-F543 HydrophobicContact CE2-CE1 4.21Å; F540-F543 PolarHBondContact O-N 3.44Å; F543-Q546 PolarHBondContact O-N 2.98Å; F543-H547 AromaticContact CD2-CD2 3.59Å; F543-H547 AromaticContact CD2-NE2 3.93Å; F543-H547 AromaticContact CE2-CD2 3.29Å; F543-H547 WeakPolarHBondContact CE2-CD2 3.43Å; F543-H547 AromaticContact CE2-NE2 3.4Å; F543-H547 WeakPolarHBondContact CE2-NE2 3.47Å; F543-H547 AromaticContact CZ-CD2 3.88Å; F543-H547 PolarHBondContact O-CD2 2.86Å; F543-H547 PolarHBondContact O-N 2.88Å
544Y91.8Very high88.8Confident10 Ų1074.1 Ų74.14%0.03939%0.386CS..Hα-helixtrans-66.8-42.5-176.6-166-91.2000112.1V511 F540 E541 L542 Q546 H547 F548 R551 L553V511-Y544 HydrophobicContact CG1-CE2 3.89Å; V511-Y544 HydrophobicContact CG2-CE2 4.2Å; F540-Y544 AromaticContact CE1-CD2 3.97Å; F540-Y544 HydrophobicContact CE1-CD2 3.97Å; F540-Y544 HydrophobicContact CE1-CG 4.25Å; F540-Y544 AromaticContact CZ-CD2 3.9Å; F540-Y544 HydrophobicContact CZ-CD2 3.9Å; F540-Y544 WeakPolarHBondContact O-CB 3.24Å; F540-Y544 PolarHBondContact O-N 3.1Å; E541-Y544 PolarHBondContact O-N 2.97Å; L542-Y544 VanDerWaalsContact C-N 3.34Å; L542-Y544 PolarHBondContact O-N 3.23Å; Y544-Q546 VanDerWaalsContact C-N 3.31Å; Y544-Q546 PolarHBondContact O-N 2.71Å; Y544-H547 PolarHBondContact O-N 2.84Å; Y544-F548 HydrophobicContact CD1-CB 4.38Å; Y544-F548 HydrophobicContact CD1-CD2 4.17Å; Y544-F548 AromaticContact CD2-CD2 3.69Å; Y544-F548 HydrophobicContact CD2-CD2 3.69Å; Y544-F548 AromaticContact CD2-CE2 3.98Å; Y544-F548 HydrophobicContact CD2-CE2 3.98Å; Y544-F548 HydrophobicContact CE1-CB 4.01Å; Y544-F548 AromaticContact CE1-CD2 3.98Å; Y544-F548 HydrophobicContact CE1-CD2 3.98Å; Y544-F548 HydrophobicContact CE1-CG 4.28Å; Y544-F548 AromaticContact CE2-CD2 3.47Å; Y544-F548 HydrophobicContact CE2-CD2 3.47Å; Y544-F548 VanDerWaalsContact CE2-CD2 3.47Å; Y544-F548 AromaticContact CE2-CE2 3.69Å; Y544-F548 HydrophobicContact CE2-CE2 3.69Å; Y544-F548 HydrophobicContact CE2-CG 4.36Å; Y544-F548 HydrophobicContact CG-CD2 4.03Å; Y544-F548 AromaticContact CZ-CD2 3.62Å; Y544-F548 PolarHBondContact O-N 2.82Å; Y544-R551 HydrophobicContact CE1-CB 4.1Å; Y544-L553 HydrophobicContact CD1-CD1 3.75Å; Y544-L553 HydrophobicContact CD1-CD2 3.97Å; Y544-L553 HydrophobicContact CD1-CG 3.78Å; Y544-L553 HydrophobicContact CD2-CD1 4.48Å; Y544-L553 HydrophobicContact CD2-CD2 4.44Å; Y544-L553 HydrophobicContact CE1-CD1 4.42Å; Y544-L553 HydrophobicContact CE1-CD2 3.79Å; Y544-L553 HydrophobicContact CE1-CG 3.99Å; Y544-L553 HydrophobicContact CE2-CD2 4.28Å; Y544-L553 HydrophobicContact CG-CD1 3.79Å; Y544-L553 HydrophobicContact CG-CD2 4.3Å; Y544-L553 HydrophobicContact CG-CG 4.26Å
545N90.8Very high88.7Confident99 Ų9972.8 Ų72.853%0.52938%0.378SS..Hα-helixtrans-67.1-30.8178.5-71.4-27.2000112.5E541 L542E541-N545 VanDerWaalsContact O-CB 3.3Å; E541-N545 WeakPolarHBondContact O-CB 3.39Å; E541-N545 PolarHBondContact O-N 2.99Å; E541-N545 PolarHBondContact O-ND2 3.22Å; E541-N545 VanDerWaalsContact O-ND2 3.13Å; L542-N545 PolarHBondContact O-N 3.38Å
546Q89.6Confident88.7Confident117 Ų11770.3 Ų70.355%0.54737%0.369SS..Hα-helixtrans-69.2-36.9173.9-73.8176.30.500112.3L542 F543 Y544L542-Q546 VanDerWaalsContact O-CG 3.31Å; L542-Q546 WeakPolarHBondContact O-CG 3.3Å; L542-Q546 PolarHBondContact O-N 3.1Å; L542-Q546 VanDerWaalsContact O-N 3.11Å; F543-Q546 PolarHBondContact O-N 2.98Å; Y544-Q546 VanDerWaalsContact C-N 3.31Å; Y544-Q546 PolarHBondContact O-N 2.71Å
547H88.6Confident88.5Confident112 Ų11271.8 Ų71.852%0.51938%0.376SS..Hα-helixtrans-88.2-26.5-177.4-84-81.8000114.3F543 Y544F543-H547 AromaticContact CD2-CD2 3.59Å; F543-H547 AromaticContact CD2-NE2 3.93Å; F543-H547 AromaticContact CE2-CD2 3.29Å; F543-H547 WeakPolarHBondContact CE2-CD2 3.43Å; F543-H547 AromaticContact CE2-NE2 3.4Å; F543-H547 WeakPolarHBondContact CE2-NE2 3.47Å; F543-H547 AromaticContact CZ-CD2 3.88Å; F543-H547 PolarHBondContact O-CD2 2.86Å; F543-H547 PolarHBondContact O-N 2.88Å; Y544-H547 PolarHBondContact O-N 2.84Å
548F90.2Very high88Confident55 Ų5573.2 Ų73.224%0.24138%0.38CS..  trans-130.3111.1-175.5-58.9-75.2000111.6L486 Y544L486-F548 HydrophobicContact CD2-CE2 3.83Å; L486-F548 HydrophobicContact CD2-CZ 3.95Å; Y544-F548 HydrophobicContact CD1-CB 4.38Å; Y544-F548 HydrophobicContact CD1-CD2 4.17Å; Y544-F548 AromaticContact CD2-CD2 3.69Å; Y544-F548 HydrophobicContact CD2-CD2 3.69Å; Y544-F548 AromaticContact CD2-CE2 3.98Å; Y544-F548 HydrophobicContact CD2-CE2 3.98Å; Y544-F548 HydrophobicContact CE1-CB 4.01Å; Y544-F548 AromaticContact CE1-CD2 3.98Å; Y544-F548 HydrophobicContact CE1-CD2 3.98Å; Y544-F548 HydrophobicContact CE1-CG 4.28Å; Y544-F548 AromaticContact CE2-CD2 3.47Å; Y544-F548 HydrophobicContact CE2-CD2 3.47Å; Y544-F548 VanDerWaalsContact CE2-CD2 3.47Å; Y544-F548 AromaticContact CE2-CE2 3.69Å; Y544-F548 HydrophobicContact CE2-CE2 3.69Å; Y544-F548 HydrophobicContact CE2-CG 4.36Å; Y544-F548 HydrophobicContact CG-CD2 4.03Å; Y544-F548 AromaticContact CZ-CD2 3.62Å; Y544-F548 PolarHBondContact O-N 2.82Å
549S89.1Confident87.7Confident118 Ų11869.8 Ų69.883%0.82537%0.365SS*.THydrogen-bonded Turntrans-86.8141.4171.156.50000111.5R551S549-R551 PolarHBondContact O-N 3.41Å
550G86.1Confident87.5Confident94 Ų9470.7 Ų70.797%0.96937%0.373SS*.THydrogen-bonded Turntrans80.78.3174.800000116.2
551R88.5Confident87.3Confident145 Ų14574.1 Ų74.155%0.54739%0.394SS..  trans-108.6148174.2-60.3-175.3-173.5176.80.2110.4Y544 S549Y544-R551 HydrophobicContact CE1-CB 4.1Å; S549-R551 PolarHBondContact O-N 3.41Å
552K85.7Confident87.2Confident191 Ų19171.5 Ų71.583%0.8339%0.386SS*.  trans-119.8130.2175.2-174.2176.5179.5-179.90109.8
553L87.9Confident87.2Confident39 Ų3972.6 Ų72.620%0.20439%0.389CS..  trans-81.6144.2173-67.4174000110.3F540 E541 Y544F540-L553 HydrophobicContact CD1-CD1 4.19Å; F540-L553 HydrophobicContact CE1-CD1 3.95Å; E541-L553 HydrophobicContact CG-CD1 4.26Å; Y544-L553 HydrophobicContact CD1-CD1 3.75Å; Y544-L553 HydrophobicContact CD1-CD2 3.97Å; Y544-L553 HydrophobicContact CD1-CG 3.78Å; Y544-L553 HydrophobicContact CD2-CD1 4.48Å; Y544-L553 HydrophobicContact CD2-CD2 4.44Å; Y544-L553 HydrophobicContact CE1-CD1 4.42Å; Y544-L553 HydrophobicContact CE1-CD2 3.79Å; Y544-L553 HydrophobicContact CE1-CG 3.99Å; Y544-L553 HydrophobicContact CE2-CD2 4.28Å; Y544-L553 HydrophobicContact CG-CD1 3.79Å; Y544-L553 HydrophobicContact CG-CD2 4.3Å; Y544-L553 HydrophobicContact CG-CG 4.26Å
554T86.9Confident87.1Confident88 Ų8873.5 Ų73.554%0.5440%0.395SS..  trans-134.1120.3171.7-58.90000107.4
555W85.7Confident87Confident62 Ų6280.1 Ų80.124%0.23542%0.424CS..  trans-84.1132.1-174.7-64.896000111.4F507 I509 V537 F540 E541 H557F507-W555 HydrophobicContact CZ-CH2 4.29Å; F507-W555 HydrophobicContact CZ-CZ3 4.4Å; I509-W555 HydrophobicContact CD1-CH2 3.35Å; I509-W555 HydrophobicContact CD1-CZ2 4.33Å; I509-W555 HydrophobicContact CD1-CZ3 3.5Å; I509-W555 VanDerWaalsContact CD1-CZ3 3.5Å; I509-W555 HydrophobicContact CG1-CH2 4.38Å; I509-W555 HydrophobicContact CG1-CZ3 4.1Å; V537-W555 HydrophobicContact CB-CH2 4.45Å; V537-W555 HydrophobicContact CB-CZ2 4.34Å; V537-W555 HydrophobicContact CG1-CD2 4.45Å; V537-W555 HydrophobicContact CG1-CH2 4.14Å; V537-W555 HydrophobicContact CG1-CZ2 3.59Å; V537-W555 HydrophobicContact CG2-CH2 4.18Å; V537-W555 HydrophobicContact CG2-CZ2 4.45Å; V537-W555 HydrophobicContact CG2-CZ3 4.35Å; F540-W555 HydrophobicContact CD1-CH2 4.07Å; F540-W555 HydrophobicContact CD1-CZ2 4.28Å; E541-W555 HydrophobicContact CG-CZ2 4.03Å; E541-W555 PolarHBondContact OE1-NE1 3.25Å; W555-H557 WeakPolarHBondContact CB-NE2 3.1Å
556L86Confident86.8Confident47 Ų4775.9 Ų75.925%0.24640%0.401CS..  trans-112.670.7-179.9-59.3179.1000110.6L519 Y558 L559L519-L556 HydrophobicContact CB-CD1 4.25Å; L519-L556 HydrophobicContact CD1-CD1 3.65Å; L556-Y558 HydrophobicContact CB-CD1 4.4Å; L556-Y558 HydrophobicContact CB-CE1 3.91Å; L556-Y558 HydrophobicContact CD2-CE1 3.98Å; L556-Y558 HydrophobicContact CG-CE1 4.42Å; L556-Y558 PolarHBondContact O-N 2.86Å; L556-Y558 VanDerWaalsContact O-N 3.14Å; L556-L559 HydrophobicContact CB-CD1 4.08Å; L556-L559 HydrophobicContact CD1-CD1 4.01Å; L556-L559 PolarHBondContact O-N 3.14Å; L556-L559 VanDerWaalsContact O-N 3.12Å
557H83.3Confident86.6Confident31 Ų3176.9 Ų76.914%0.14441%0.41CS..G310 helixtrans-59-28.8-172-60-62.4000114.8F527 I529 W555 L559 C560 T579 Y580F527-H557 HydrophobicContact CD1-CB 3.9Å; F527-H557 AromaticContact CD1-CD2 3.77Å; F527-H557 AromaticContact CD1-CG 3.71Å; F527-H557 HydrophobicContact CE1-CB 4.31Å; I529-H557 VanDerWaalsContact CD1-CE1 3.4Å; I529-H557 WeakPolarHBondContact CD1-CE1 3.29Å; W555-H557 WeakPolarHBondContact CB-NE2 3.1Å; H557-L559 PolarHBondContact O-N 3.48Å; H557-C560 WeakPolarHBondContact O-CB 3.15Å; H557-C560 PolarHBondContact O-N 3.25Å; H557-C560 VanDerWaalsContact O-N 3.14Å; H557-T579 HydrophobicContact CB-CG2 4.5Å; H557-Y580 HydrophobicContact CB-CE1 4.27Å
558Y79.3Confident86.3Confident45 Ų4574.8 Ų74.818%0.17640%0.398CS..G310 helixtrans-66.9-18.4179.370.7-85.7000114.1T520 V522 L556 M657T520-Y558 PolarHBondContact O-OH 3.01Å; V522-Y558 HydrophobicContact CG2-CE1 4.49Å; L556-Y558 HydrophobicContact CB-CD1 4.4Å; L556-Y558 HydrophobicContact CB-CE1 3.91Å; L556-Y558 HydrophobicContact CD2-CE1 3.98Å; L556-Y558 HydrophobicContact CG-CE1 4.42Å; L556-Y558 PolarHBondContact O-N 2.86Å; L556-Y558 VanDerWaalsContact O-N 3.14Å; Y558-M657 HydrophobicContact CD2-CE 4.4Å
559L80.9Confident86Confident31 Ų3173.1 Ų73.116%0.16239%0.391CS..G310 helixtrans-93-15.1176-64.1170.6000112.6I444 L519 L556 H557I444-L559 HydrophobicContact CD1-CD1 4.09Å; I444-L559 HydrophobicContact CG2-CB 4.37Å; L519-L559 HydrophobicContact CD1-CD1 3.85Å; L519-L559 HydrophobicContact CD2-CD1 3.65Å; L519-L559 HydrophobicContact CG-CD1 4.28Å; L556-L559 HydrophobicContact CB-CD1 4.08Å; L556-L559 HydrophobicContact CD1-CD1 4.01Å; L556-L559 PolarHBondContact O-N 3.14Å; L556-L559 VanDerWaalsContact O-N 3.12Å; H557-L559 PolarHBondContact O-N 3.48Å
560C85.3Confident85.5Confident49 Ų4973.6 Ų73.633%0.33140%0.395SS..  trans-76.4148-175.1-63.10000111.5H557 T578 T579H557-C560 WeakPolarHBondContact O-CB 3.15Å; H557-C560 PolarHBondContact O-N 3.25Å; H557-C560 VanDerWaalsContact O-N 3.14Å; C560-T578 WeakPolarHBondContact O-CA 3.26Å; C560-T579 WeakPolarHBondContact CB-OG1 3.24Å; C560-T579 PolarHBondContact O-N 3.12Å; C560-T579 PolarHBondContact O-OG1 3.12Å
561T86.9Confident85.4Confident73 Ų7375 Ų7545%0.44837%0.374SS..EExtended strand (participates in β ladder)trans-131.7148.7177.958.60000110.2V577T561-V577 CarbonylContact C-O 3.54Å; T561-V577 VanDerWaalsContact CA-O 3.26Å; T561-V577 WeakPolarHBondContact CA-O 3.2Å
562G88.4Confident85.2Confident14 Ų1472.4 Ų72.414%0.14438%0.376CS..EExtended strand (participates in β ladder)trans-135.3162.3177.400000112.6M576 V577G562-M576 WeakPolarHBondContact O-CA 3.49Å; G562-V577 PolarHBondContact N-O 3.46Å; G562-V577 PolarHBondContact O-N 3.35Å
563E89.4Confident85.3Confident103 Ų10363.8 Ų63.848%0.48134%0.338SS..EExtended strand (participates in β ladder)trans-104.9114.2172.1-75.7-171.2-160.200109.3V574 M576 K650E563-V574 HydrophobicContact CB-CG1 4.25Å; E563-V574 HydrophobicContact CG-CG1 4.5Å; E563-M576 HydrophobicContact CG-CE 3.77Å; E563-M576 HydrophobicContact CG-CG 4.49Å; E563-M576 HydrophobicContact CG-SD 3.19Å; E563-M576 WeakPolarHBondContact CG-SD 3.43Å; E563-K650 IonicContact OE1-NZ 2.75Å; E563-K650 PolarHBondContact OE1-NZ 2.89Å; E563-K650 IonicContact OE2-NZ 2.73Å; E563-K650 PolarHBondContact OE2-NZ 3.44Å
564V89Confident85.4Confident21 Ų2163 Ų6313%0.12734%0.335CS..EExtended strand (participates in β ladder)trans-103.5128174.4-64.40000109.9V574 A575 V577 M582 L585V564-V574 WeakPolarHBondContact O-CA 3.4Å; V564-A575 HydrophobicContact CG2-CB 3.88Å; V564-A575 WeakPolarHBondContact CG2-O 3.35Å; V564-A575 PolarHBondContact N-O 2.91Å; V564-A575 PolarHBondContact O-N 2.91Å; V564-V577 HydrophobicContact CG1-CG2 3.84Å; V564-V577 HydrophobicContact CG2-CG1 3.92Å; V564-V577 HydrophobicContact CG2-CG2 3.9Å; V564-M582 HydrophobicContact CG1-CB 4.41Å; V564-M582 HydrophobicContact CG1-CG 3.61Å; V564-M582 HydrophobicContact CG1-SD 4.02Å; V564-L585 HydrophobicContact CG2-CD1 3.89Å
565K89.5Confident85.5Confident149 Ų14958.9 Ų58.965%0.64831%0.309SS*.EExtended strand (participates in β ladder)trans-96.7122.6175.5-62.6-174.6-179.2171.70109.1N567 V574K565-N567 PolarHBondContact O-N 3.41Å; K565-V574 HydrophobicContact CG-CG1 4.39Å; K565-V574 HydrophobicContact CG-CG2 4.11Å
566M86.8Confident85.7Confident10 Ų1058 Ų585%0.04931%0.309CS..EExtended strand (participates in β ladder)trans-89.5100.9178.9-62.8176.8-141.400109.3Y568 L569 Y573 A575 M622 F651M566-Y568 HydrophobicContact CB-CD1 4.11Å; M566-Y568 HydrophobicContact CB-CE1 3.65Å; M566-Y568 HydrophobicContact CG-CE1 3.87Å; M566-Y568 HydrophobicContact SD-CE1 4.29Å; M566-L569 HydrophobicContact CB-CD1 4.22Å; M566-L569 HydrophobicContact SD-CD1 4.07Å; M566-Y573 PolarHBondContact N-O 3.34Å; M566-A575 HydrophobicContact CE-CB 3.42Å; M566-A575 VanDerWaalsContact CE-CB 3.42Å; M566-M622 HydrophobicContact CE-CE 3.15Å; M566-M622 HydrophobicContact CE-SD 3.75Å; M566-M622 HydrophobicContact SD-CE 3.9Å; M566-F651 HydrophobicContact CE-CE1 4.47Å; M566-F651 HydrophobicContact CE-CZ 3.82Å
567N85.1Confident85.8Confident137 Ų13756 Ų5673%0.73330%0.298SS*.  trans-88.7-11.4-176.6-61.9-22.6000113.5K565K565-N567 PolarHBondContact O-N 3.41Å
568Y82.1Confident86Confident69 Ų6955.1 Ų55.127%0.27130%0.295SS..SBendtrans-83.6-9-175.869-87.4000114M566 L640 N641 M642M566-Y568 HydrophobicContact CB-CD1 4.11Å; M566-Y568 HydrophobicContact CB-CE1 3.65Å; M566-Y568 HydrophobicContact CG-CE1 3.87Å; M566-Y568 HydrophobicContact SD-CE1 4.29Å; Y568-L640 HydrophobicContact CD1-CD2 3.47Å; Y568-L640 VanDerWaalsContact CD1-CD2 3.47Å; Y568-L640 HydrophobicContact CD1-CG 4.47Å; Y568-L640 HydrophobicContact CD2-CD2 3.82Å; Y568-L640 HydrophobicContact CD2-CG 4.43Å; Y568-L640 HydrophobicContact CE1-CD1 4.14Å; Y568-L640 HydrophobicContact CE1-CD2 3.28Å; Y568-L640 HydrophobicContact CE1-CG 3.85Å; Y568-L640 HydrophobicContact CE2-CD2 3.59Å; Y568-L640 HydrophobicContact CE2-CG 3.74Å; Y568-L640 HydrophobicContact CG-CD2 3.76Å; Y568-L640 VanDerWaalsContact CZ-CG 3.42Å; Y568-L640 WeakPolarHBondContact OH-CG 3.39Å; Y568-N641 WeakPolarHBondContact CE2-O 3.34Å; Y568-N641 PolarHBondContact OH-O 2.86Å; Y568-M642 HydrophobicContact CD2-CE 4.03Å; Y568-M642 HydrophobicContact CD2-SD 3.44Å; Y568-M642 WeakPolarHBondContact CD2-SD 3.41Å; Y568-M642 HydrophobicContact CE2-SD 3.84Å; Y568-M642 HydrophobicContact CG-SD 4.43Å
569L83.8Confident86.3Confident20 Ų2053.4 Ų53.411%0.10529%0.289CS..SBendtrans-97.7157.6-179.2-65.7169.8000110.9M566 K571 Y573 M642 F644M566-L569 HydrophobicContact CB-CD1 4.22Å; M566-L569 HydrophobicContact SD-CD1 4.07Å; L569-K571 PolarHBondContact O-N 2.86Å; L569-K571 VanDerWaalsContact O-N 3.16Å; L569-Y573 HydrophobicContact CB-CD2 4.36Å; L569-Y573 HydrophobicContact CD1-CD2 3.57Å; L569-Y573 HydrophobicContact CD1-CE2 4.05Å; L569-M642 VanDerWaalsContact CD2-O 3.27Å; L569-M642 WeakPolarHBondContact CD2-O 3.33Å; L569-F644 HydrophobicContact CD1-CB 4.02Å; L569-F644 HydrophobicContact CD1-CD1 3.82Å; L569-F644 HydrophobicContact CD1-CG 4.4Å; L569-F644 HydrophobicContact CD2-CB 4.35Å
570S79.4Confident86.6Confident128 Ų12852.4 Ų52.490%0.89528%0.283SS*.SBendtrans-61.4-24177.759.90000113.9
571K83.3Confident86.7Confident124 Ų12450.1 Ų50.154%0.53927%0.268SS..SBendtrans-116.5135.7171.6-66.3-177.3-178178.70109.4L569 Y573L569-K571 PolarHBondContact O-N 2.86Å; L569-K571 VanDerWaalsContact O-N 3.16Å; K571-Y573 HydrophobicContact CB-CD2 4.46Å; K571-Y573 HydrophobicContact CB-CE2 4.02Å; K571-Y573 WeakPolarHBondContact O-CD2 3.44Å; K571-Y573 PolarHBondContact O-N 3.29Å
572P84Confident86.9Confident90 Ų9047.4 Ų47.458%0.58425%0.25SS*.  trans-75.391.817830.5-33.9000110T649P572-T649 VanDerWaalsContact O-CG2 3.24Å; P572-T649 WeakPolarHBondContact O-CG2 3.24Å
573Y89.3Confident86.9Confident10 Ų1047.1 Ų47.14%0.03925%0.246CC..EExtended strand (participates in β ladder)trans-79.8143.1174.3-66.8-72.4000111M566 L569 K571 F644 S646 T649 F651M566-Y573 PolarHBondContact N-O 3.34Å; L569-Y573 HydrophobicContact CB-CD2 4.36Å; L569-Y573 HydrophobicContact CD1-CD2 3.57Å; L569-Y573 HydrophobicContact CD1-CE2 4.05Å; K571-Y573 HydrophobicContact CB-CD2 4.46Å; K571-Y573 HydrophobicContact CB-CE2 4.02Å; K571-Y573 WeakPolarHBondContact O-CD2 3.44Å; K571-Y573 PolarHBondContact O-N 3.29Å; Y573-F644 AromaticContact CD2-CD1 4Å; Y573-F644 HydrophobicContact CD2-CD1 4Å; Y573-F644 HydrophobicContact CD2-CE1 4.15Å; Y573-F644 HydrophobicContact CE2-CD1 4.11Å; Y573-F644 HydrophobicContact CE2-CE1 4.39Å; Y573-F644 HydrophobicContact CG-CE1 4.23Å; Y573-S646 PolarHBondContact OH-N 3.3Å; Y573-T649 CarbonylContact C-O 3.17Å; Y573-T649 WeakPolarHBondContact CA-O 3.2Å; Y573-F651 HydrophobicContact CD1-CE1 4.24Å; Y573-F651 HydrophobicContact CG-CE1 4.37Å
574V89.8Confident86.9Confident23 Ų2342.2 Ų42.214%0.13922%0.223CC..EExtended strand (participates in β ladder)trans-117.3112.5174.8-171.80000108.8E563 V564 K565 T649 K650 F651E563-V574 HydrophobicContact CB-CG1 4.25Å; E563-V574 HydrophobicContact CG-CG1 4.5Å; V564-V574 WeakPolarHBondContact O-CA 3.4Å; K565-V574 HydrophobicContact CG-CG1 4.39Å; K565-V574 HydrophobicContact CG-CG2 4.11Å; V574-T649 PolarHBondContact N-O 2.93Å; V574-K650 HydrophobicContact CB-CB 4.38Å; V574-K650 HydrophobicContact CB-CG 4.23Å; V574-K650 HydrophobicContact CG1-CG 4.45Å; V574-K650 VanDerWaalsContact O-CA 3.32Å; V574-K650 WeakPolarHBondContact O-CA 3.34Å; V574-F651 PolarHBondContact O-N 3.05Å
575A88.9Confident86.9Confident0 Ų042 Ų420%022%0.222CC..EExtended strand (participates in β ladder)trans-99.7126.517600000110.6V564 M566 V577 F651 I653V564-A575 HydrophobicContact CG2-CB 3.88Å; V564-A575 WeakPolarHBondContact CG2-O 3.35Å; V564-A575 PolarHBondContact N-O 2.91Å; V564-A575 PolarHBondContact O-N 2.91Å; M566-A575 HydrophobicContact CE-CB 3.42Å; M566-A575 VanDerWaalsContact CE-CB 3.42Å; A575-V577 HydrophobicContact CB-CG1 3.87Å; A575-F651 WeakPolarHBondContact CA-O 3.34Å; A575-F651 HydrophobicContact CB-CD2 4.45Å; A575-F651 HydrophobicContact CB-CE2 3.85Å; A575-F651 HydrophobicContact CB-CZ 3.94Å; A575-I653 HydrophobicContact CB-CD1 4.35Å; A575-I653 HydrophobicContact CB-CG1 4.47Å
576M88.5Confident86.8Confident45 Ų4536.6 Ų36.622%0.22220%0.199CC..EExtended strand (participates in β ladder)trans-79.3116.6163.3-58.4-78.3-31.700107.9G562 E563 F651 K652 I653G562-M576 WeakPolarHBondContact O-CA 3.49Å; E563-M576 HydrophobicContact CG-CE 3.77Å; E563-M576 HydrophobicContact CG-CG 4.49Å; E563-M576 HydrophobicContact CG-SD 3.19Å; E563-M576 WeakPolarHBondContact CG-SD 3.43Å; M576-F651 PolarHBondContact N-O 3.45Å; M576-K652 HydrophobicContact CB-CB 4.05Å; M576-K652 HydrophobicContact CB-CG 3.96Å; M576-K652 HydrophobicContact CG-CB 4.45Å; M576-I653 PolarHBondContact O-N 3.35Å
577V88.5Confident86.9Confident3 Ų337.9 Ų37.92%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-127.4158.3-175-60.90000110.6T561 G562 V564 A575 Q581 M582 L585 I653T561-V577 CarbonylContact C-O 3.54Å; T561-V577 VanDerWaalsContact CA-O 3.26Å; T561-V577 WeakPolarHBondContact CA-O 3.2Å; G562-V577 PolarHBondContact N-O 3.46Å; G562-V577 PolarHBondContact O-N 3.35Å; V564-V577 HydrophobicContact CG1-CG2 3.84Å; V564-V577 HydrophobicContact CG2-CG1 3.92Å; V564-V577 HydrophobicContact CG2-CG2 3.9Å; A575-V577 HydrophobicContact CB-CG1 3.87Å; V577-Q581 HydrophobicContact CB-CB 3.84Å; V577-Q581 HydrophobicContact CG1-CB 4.49Å; V577-M582 HydrophobicContact CG2-CB 3.82Å; V577-M582 HydrophobicContact CG2-CG 4.36Å; V577-L585 HydrophobicContact CG1-CD1 4.13Å; V577-I653 HydrophobicContact CG1-CD1 3.5Å; V577-I653 VanDerWaalsContact CG1-CD1 3.5Å; V577-I653 HydrophobicContact CG1-CG1 4.06Å
578T87.4Confident87Confident14 Ų1431.9 Ų31.99%0.08618%0.179CC..EExtended strand (participates in β ladder)trans-71.2159.5167.757.40000110.4C560 Y580 Q581 M582 T655C560-T578 WeakPolarHBondContact O-CA 3.26Å; T578-Y580 PolarHBondContact O-N 3.22Å; T578-Q581 WeakPolarHBondContact O-CB 3.26Å; T578-Q581 PolarHBondContact O-N 2.86Å; T578-Q581 VanDerWaalsContact O-N 3.12Å; T578-Q581 VanDerWaalsContact OG1-CD 3.28Å; T578-Q581 WeakPolarHBondContact OG1-CG 3.39Å; T578-Q581 PolarHBondContact OG1-N 2.74Å; T578-Q581 PolarHBondContact OG1-OE1 2.82Å; T578-M582 WeakPolarHBondContact O-CB 3.29Å; T578-M582 PolarHBondContact O-N 2.7Å; T578-T655 HydrophobicContact CG2-CG2 4.21Å
579T87Confident87.2Confident8 Ų833.7 Ų33.75%0.04919%0.194CC..Hα-helixtrans-59.9-33.8178.2-64.80000112.9F527 L533 H557 C560 M582 A583F527-T579 HydrophobicContact CE1-CG2 3.75Å; F527-T579 HydrophobicContact CZ-CG2 3.9Å; L533-T579 HydrophobicContact CD1-CG2 4.45Å; H557-T579 HydrophobicContact CB-CG2 4.5Å; C560-T579 WeakPolarHBondContact CB-OG1 3.24Å; C560-T579 PolarHBondContact O-N 3.12Å; C560-T579 PolarHBondContact O-OG1 3.12Å; T579-M582 WeakPolarHBondContact O-CB 3.09Å; T579-M582 PolarHBondContact O-N 3.06Å; T579-A583 PolarHBondContact O-N 3.25Å
580Y86.8Confident87.2Confident11 Ų1139.9 Ų39.94%0.04323%0.227CC..Hα-helixtrans-64.2-45.5172.9-66.6-29.7000112.8S525 F527 H557 T578 M582 A583 V584 M605S525-Y580 PolarHBondContact OG-OH 3.32Å; F527-Y580 HydrophobicContact CB-CE1 4.09Å; F527-Y580 HydrophobicContact CD1-CE1 4.34Å; F527-Y580 AromaticContact CD2-CD1 3.59Å; F527-Y580 HydrophobicContact CD2-CD1 3.59Å; F527-Y580 AromaticContact CD2-CE1 3.57Å; F527-Y580 HydrophobicContact CD2-CE1 3.57Å; F527-Y580 AromaticContact CE2-CD1 3.61Å; F527-Y580 HydrophobicContact CE2-CD1 3.61Å; F527-Y580 HydrophobicContact CE2-CE1 4.05Å; F527-Y580 HydrophobicContact CG-CD1 4.16Å; F527-Y580 AromaticContact CG-CE1 3.72Å; F527-Y580 HydrophobicContact CG-CE1 3.72Å; F527-Y580 HydrophobicContact CZ-CD1 4.18Å; H557-Y580 HydrophobicContact CB-CE1 4.27Å; T578-Y580 PolarHBondContact O-N 3.22Å; Y580-M582 VanDerWaalsContact C-N 3.28Å; Y580-M582 PolarHBondContact O-N 3.29Å; Y580-A583 PolarHBondContact O-N 3.18Å; Y580-V584 WeakPolarHBondContact O-CG2 3.49Å; Y580-V584 PolarHBondContact O-N 3.41Å; Y580-V584 VanDerWaalsContact O-N 3.16Å; Y580-M605 HydrophobicContact CD1-CE 3.74Å; Y580-M605 HydrophobicContact CD1-CG 4.36Å; Y580-M605 HydrophobicContact CD1-SD 3.72Å; Y580-M605 HydrophobicContact CD2-CE 3.7Å; Y580-M605 HydrophobicContact CE1-CE 4.31Å; Y580-M605 HydrophobicContact CE1-SD 4.45Å; Y580-M605 HydrophobicContact CE2-CE 4.26Å; Y580-M605 HydrophobicContact CG-CE 3.41Å; Y580-M605 VanDerWaalsContact CG-CE 3.41Å; Y580-M605 HydrophobicContact CG-SD 3.88Å
581Q87.8Confident87.3Confident0 Ų036.7 Ų36.70%021%0.205CC..Hα-helixtrans-62.9-37.9173.9-72.2170-36.600111.7V577 T578 V584 L585 T613 S616 L617V577-Q581 HydrophobicContact CB-CB 3.84Å; V577-Q581 HydrophobicContact CG1-CB 4.49Å; T578-Q581 WeakPolarHBondContact O-CB 3.26Å; T578-Q581 PolarHBondContact O-N 2.86Å; T578-Q581 VanDerWaalsContact O-N 3.12Å; T578-Q581 VanDerWaalsContact OG1-CD 3.28Å; T578-Q581 WeakPolarHBondContact OG1-CG 3.39Å; T578-Q581 PolarHBondContact OG1-N 2.74Å; T578-Q581 PolarHBondContact OG1-OE1 2.82Å; Q581-V584 PolarHBondContact O-N 3.48Å; Q581-L585 VanDerWaalsContact O-CG 3.29Å; Q581-L585 WeakPolarHBondContact O-CG 3.38Å; Q581-L585 PolarHBondContact O-N 2.89Å; Q581-T613 HydrophobicContact CB-CG2 4.27Å; Q581-T613 HydrophobicContact CG-CG2 3.63Å; Q581-S616 PolarHBondContact NE2-OG 3.5Å; Q581-S616 VanDerWaalsContact NE2-OG 3.11Å; Q581-L617 HydrophobicContact CB-CD1 4.48Å; Q581-L617 HydrophobicContact CB-CD2 4.24Å; Q581-L617 HydrophobicContact CG-CD1 4.5Å; Q581-L617 HydrophobicContact CG-CD2 4.18Å; Q581-L617 HydrophobicContact CG-CG 4.27Å
582M89.2Confident87.1Confident17 Ų1735.3 Ų35.38%0.08420%0.2CC..Hα-helixtrans-62.7-43.4176.6-167.9163.875.900111.6L533 V564 V577 T578 T579 Y580 V584 L585 L586L533-M582 HydrophobicContact CD1-CE 3.22Å; L533-M582 HydrophobicContact CD2-CE 3.72Å; L533-M582 HydrophobicContact CG-CE 3.9Å; V564-M582 HydrophobicContact CG1-CB 4.41Å; V564-M582 HydrophobicContact CG1-CG 3.61Å; V564-M582 HydrophobicContact CG1-SD 4.02Å; V577-M582 HydrophobicContact CG2-CB 3.82Å; V577-M582 HydrophobicContact CG2-CG 4.36Å; T578-M582 WeakPolarHBondContact O-CB 3.29Å; T578-M582 PolarHBondContact O-N 2.7Å; T579-M582 WeakPolarHBondContact O-CB 3.09Å; T579-M582 PolarHBondContact O-N 3.06Å; Y580-M582 VanDerWaalsContact C-N 3.28Å; Y580-M582 PolarHBondContact O-N 3.29Å; M582-V584 VanDerWaalsContact C-N 3.34Å; M582-V584 PolarHBondContact O-N 3.37Å; M582-L585 PolarHBondContact O-N 3.44Å; M582-L586 HydrophobicContact CG-CD1 3.89Å; M582-L586 HydrophobicContact CG-CG 4.32Å; M582-L586 WeakPolarHBondContact O-CB 3.15Å; M582-L586 VanDerWaalsContact O-CG 3.26Å; M582-L586 WeakPolarHBondContact O-CG 3.4Å; M582-L586 PolarHBondContact O-N 2.73Å
583A88.7Confident87.2Confident7 Ų734.7 Ų34.76%0.05820%0.195CC..Hα-helixtrans-59.4-45.8176.900000111.8F527 P530 T579 Y580 L585 L586 A587 T603F527-A583 HydrophobicContact CE2-CB 3.54Å; F527-A583 HydrophobicContact CZ-CB 3.55Å; P530-A583 HydrophobicContact CG-CB 3.9Å; T579-A583 PolarHBondContact O-N 3.25Å; Y580-A583 PolarHBondContact O-N 3.18Å; A583-L585 PolarHBondContact O-N 3.13Å; A583-L586 PolarHBondContact O-N 2.94Å; A583-A587 PolarHBondContact O-N 3.44Å; A583-T603 HydrophobicContact CB-CG2 3.88Å
584V89.4Confident87.2Confident0 Ų034.7 Ų34.70%020%0.196CC..Hα-helixtrans-62.2-43176.3173.50000111.1Y580 Q581 M582 A587 F588 L599 T603 L610 T613 I614 L617 L623Y580-V584 WeakPolarHBondContact O-CG2 3.49Å; Y580-V584 PolarHBondContact O-N 3.41Å; Y580-V584 VanDerWaalsContact O-N 3.16Å; Q581-V584 PolarHBondContact O-N 3.48Å; M582-V584 VanDerWaalsContact C-N 3.34Å; M582-V584 PolarHBondContact O-N 3.37Å; V584-A587 WeakPolarHBondContact O-CB 3.46Å; V584-A587 PolarHBondContact O-N 3.22Å; V584-F588 HydrophobicContact CG1-CE2 4.14Å; V584-F588 WeakPolarHBondContact O-CD2 3.41Å; V584-F588 VanDerWaalsContact O-CE2 3.26Å; V584-F588 WeakPolarHBondContact O-CE2 3.23Å; V584-L599 HydrophobicContact CG1-CD1 4.28Å; V584-L599 HydrophobicContact CG1-CD2 4.21Å; V584-T603 HydrophobicContact CG2-CG2 4.42Å; V584-L610 HydrophobicContact CG2-CD1 3.93Å; V584-T613 HydrophobicContact CG2-CG2 4.07Å; V584-I614 HydrophobicContact CG1-CG1 4.49Å; V584-L617 HydrophobicContact CB-CD1 4.22Å; V584-L617 HydrophobicContact CG1-CD1 3.88Å; V584-L623 HydrophobicContact CG1-CD1 4.25Å
585L89.1Confident87.2Confident18 Ų1835.8 Ų35.89%0.09420%0.203CC..Hα-helixtrans-69.4-36.5-179.9-70.2172.8000113.1V564 V577 Q581 M582 A583 A587 F588 L617 M622V564-L585 HydrophobicContact CG2-CD1 3.89Å; V577-L585 HydrophobicContact CG1-CD1 4.13Å; Q581-L585 VanDerWaalsContact O-CG 3.29Å; Q581-L585 WeakPolarHBondContact O-CG 3.38Å; Q581-L585 PolarHBondContact O-N 2.89Å; M582-L585 PolarHBondContact O-N 3.44Å; A583-L585 PolarHBondContact O-N 3.13Å; L585-A587 VanDerWaalsContact C-N 3.28Å; L585-A587 PolarHBondContact O-N 2.89Å; L585-F588 PolarHBondContact O-N 2.7Å; L585-L617 HydrophobicContact CD1-CD2 4.23Å; L585-L617 HydrophobicContact CD2-CD1 4.23Å; L585-L617 HydrophobicContact CD2-CD2 4.49Å; L585-L617 HydrophobicContact CG-CD1 4.2Å; L585-L617 HydrophobicContact CG-CD2 4.46Å; L585-M622 HydrophobicContact CD1-CE 3.72Å; L585-M622 HydrophobicContact CD2-CE 3.86Å; L585-M622 HydrophobicContact CG-CE 4.48Å
586L88.6Confident87.1Confident34 Ų3435.9 Ų35.918%0.17820%0.203CC..Hα-helixtrans-67-28.4178.1-73.4168.8000112.4P530 M582 A583 F588 N589P530-L586 HydrophobicContact CB-CD1 3.55Å; P530-L586 HydrophobicContact CG-CD1 3.81Å; M582-L586 HydrophobicContact CG-CD1 3.89Å; M582-L586 HydrophobicContact CG-CG 4.32Å; M582-L586 WeakPolarHBondContact O-CB 3.15Å; M582-L586 VanDerWaalsContact O-CG 3.26Å; M582-L586 WeakPolarHBondContact O-CG 3.4Å; M582-L586 PolarHBondContact O-N 2.73Å; A583-L586 PolarHBondContact O-N 2.94Å; L586-F588 PolarHBondContact O-N 3.01Å; L586-F588 VanDerWaalsContact O-N 3.16Å; L586-N589 VanDerWaalsContact CD2-ND2 3.29Å; L586-N589 WeakPolarHBondContact CD2-ND2 3.49Å; L586-N589 VanDerWaalsContact O-CB 3.32Å; L586-N589 WeakPolarHBondContact O-CB 3.44Å; L586-N589 PolarHBondContact O-N 3.15Å
587A87.4Confident87Confident38 Ų3839.7 Ų39.731%0.31422%0.218SC..Hα-helixtrans-58.2-28.2174.200000112.9A583 V584 L585 N589 L599A583-A587 PolarHBondContact O-N 3.44Å; V584-A587 WeakPolarHBondContact O-CB 3.46Å; V584-A587 PolarHBondContact O-N 3.22Å; L585-A587 VanDerWaalsContact C-N 3.28Å; L585-A587 PolarHBondContact O-N 2.89Å; A587-N589 VanDerWaalsContact C-N 3.31Å; A587-N589 PolarHBondContact O-N 3.41Å; A587-L599 HydrophobicContact CB-CD2 3.68Å
588F88.3Confident87Confident10 Ų1044.8 Ų44.84%0.04424%0.242CC..THydrogen-bonded Turntrans-81.4-3178.7-63.3-81.7000114.3V584 L585 L586 N590 S591 V594 L599 L623 F638V584-F588 HydrophobicContact CG1-CE2 4.14Å; V584-F588 WeakPolarHBondContact O-CD2 3.41Å; V584-F588 VanDerWaalsContact O-CE2 3.26Å; V584-F588 WeakPolarHBondContact O-CE2 3.23Å; L585-F588 PolarHBondContact O-N 2.7Å; L586-F588 PolarHBondContact O-N 3.01Å; L586-F588 VanDerWaalsContact O-N 3.16Å; F588-N590 VanDerWaalsContact C-N 3.27Å; F588-N590 PolarHBondContact O-N 3.2Å; F588-S591 CarbonylContact C-O 3.52Å; F588-S591 VanDerWaalsContact CA-O 3.28Å; F588-S591 WeakPolarHBondContact CA-O 3.36Å; F588-V594 HydrophobicContact CD1-CB 4.34Å; F588-V594 HydrophobicContact CD1-CG2 3.66Å; F588-V594 HydrophobicContact CE1-CB 3.74Å; F588-V594 HydrophobicContact CE1-CG2 3.58Å; F588-V594 HydrophobicContact CG-CG2 4.39Å; F588-V594 HydrophobicContact CZ-CB 4.12Å; F588-V594 HydrophobicContact CZ-CG2 4.26Å; F588-L599 HydrophobicContact CE2-CD2 4.34Å; F588-L599 HydrophobicContact CZ-CD1 4.45Å; F588-L599 HydrophobicContact CZ-CD2 4.5Å; F588-L623 HydrophobicContact CD2-CD2 4.18Å; F588-L623 HydrophobicContact CE1-CD2 4.49Å; F588-L623 HydrophobicContact CE2-CD1 4.43Å; F588-L623 HydrophobicContact CE2-CD2 3.62Å; F588-L623 HydrophobicContact CZ-CD2 3.81Å; F588-F638 HydrophobicContact CE1-CB 4.39Å; F588-F638 WeakPolarHBondContact CE1-O 3.34Å; F588-F638 HydrophobicContact CZ-CB 3.96Å
589N86.5Confident87Confident107 Ų10744.2 Ų44.257%0.57224%0.238SC*.THydrogen-bonded Turntrans-65.7-32.3176.7-74.5-18.6000112.3L586 A587L586-N589 VanDerWaalsContact CD2-ND2 3.29Å; L586-N589 WeakPolarHBondContact CD2-ND2 3.49Å; L586-N589 VanDerWaalsContact O-CB 3.32Å; L586-N589 WeakPolarHBondContact O-CB 3.44Å; L586-N589 PolarHBondContact O-N 3.15Å; A587-N589 VanDerWaalsContact C-N 3.31Å; A587-N589 PolarHBondContact O-N 3.41Å
590N82.4Confident87.1Confident150 Ų15045.9 Ų45.980%0.80225%0.246SC*.SBendtrans-100.5-15-177.2-64-33.2000113.1F588F588-N590 VanDerWaalsContact C-N 3.27Å; F588-N590 PolarHBondContact O-N 3.2Å
591S83.1Confident87Confident62 Ų6250.5 Ų50.543%0.43427%0.271SS..  trans-150130.2-174.4-67.10000111.1F588 T593F588-S591 CarbonylContact C-O 3.52Å; F588-S591 VanDerWaalsContact CA-O 3.28Å; F588-S591 WeakPolarHBondContact CA-O 3.36Å; S591-T593 VanDerWaalsContact C-N 3.31Å; S591-T593 PolarHBondContact O-N 3.4Å
592Q78.9Confident86.9Confident94 Ų9453 Ų5344%0.43930%0.297SS..SBendtrans-71.5-27.4-176.5-173.564.622.200113.2S639 L640 M642Q592-S639 WeakPolarHBondContact O-CA 3.43Å; Q592-L640 PolarHBondContact O-N 3.49Å; Q592-M642 PolarHBondContact NE2-SD 2.97Å
593T85.4Confident86.7Confident78 Ų7852.4 Ų52.448%0.47929%0.294SS..EExtended strand (participates in β ladder)trans-130.7133.9178.7-54.80000108.3S591 F638S591-T593 VanDerWaalsContact C-N 3.31Å; S591-T593 PolarHBondContact O-N 3.4Å; T593-F638 CarbonylContact C-O 3.56Å; T593-F638 VanDerWaalsContact CA-O 3.27Å; T593-F638 WeakPolarHBondContact CA-O 3.3Å; T593-F638 WeakPolarHBondContact CG2-O 3.46Å
594V88.9Confident86.6Confident10 Ų1056.4 Ų56.46%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-136138.4-178.2-172.80000108.8F588 E598 L599 F638F588-V594 HydrophobicContact CD1-CB 4.34Å; F588-V594 HydrophobicContact CD1-CG2 3.66Å; F588-V594 HydrophobicContact CE1-CB 3.74Å; F588-V594 HydrophobicContact CE1-CG2 3.58Å; F588-V594 HydrophobicContact CG-CG2 4.39Å; F588-V594 HydrophobicContact CZ-CB 4.12Å; F588-V594 HydrophobicContact CZ-CG2 4.26Å; V594-E598 HydrophobicContact CG1-CB 3.6Å; V594-L599 HydrophobicContact CB-CD2 4.41Å; V594-L599 HydrophobicContact CB-CG 4.4Å; V594-L599 HydrophobicContact CG1-CD2 3.87Å; V594-L599 HydrophobicContact CG1-CG 3.78Å; V594-F638 PolarHBondContact N-O 3.3Å; V594-F638 PolarHBondContact O-N 2.98Å
595T89.5Confident86.4Confident46 Ų4656.7 Ų56.728%0.28231%0.313SS..EExtended strand (participates in β ladder)trans-79.5158.4177.765.90000111.8K597 E598 L599 T637T595-K597 VanDerWaalsContact C-N 3.27Å; T595-K597 PolarHBondContact O-N 3.5Å; T595-E598 PolarHBondContact N-OE2 2.79Å; T595-E598 PolarHBondContact O-N 2.88Å; T595-E598 WeakPolarHBondContact OG1-CB 3.46Å; T595-E598 WeakPolarHBondContact OG1-CG 3.27Å; T595-E598 PolarHBondContact OG1-N 3.16Å; T595-E598 PolarHBondContact OG1-OE2 3.03Å; T595-L599 PolarHBondContact O-N 3.48Å; T595-L599 VanDerWaalsContact O-N 3.09Å; T595-T637 HydrophobicContact CG2-CG2 4.31Å
596Y88.6Confident86.1Confident2 Ų260.1 Ų60.11%0.00833%0.332CS..Hα-helixtrans-56.1-41.5175-178.1-90.9000112.5L599 Q600 E607 L610 Q611 I614 I632 T634 S636 F638Y596-L599 PolarHBondContact O-N 3.36Å; Y596-Q600 WeakPolarHBondContact O-CB 3.25Å; Y596-Q600 PolarHBondContact O-N 3.42Å; Y596-E607 WeakPolarHBondContact OH-CA 3.5Å; Y596-E607 PolarHBondContact OH-O 3.1Å; Y596-L610 HydrophobicContact CD2-CD2 4.44Å; Y596-L610 HydrophobicContact CE1-CD2 4.33Å; Y596-L610 HydrophobicContact CE2-CD2 3.84Å; Y596-L610 HydrophobicContact CE2-CG 4.01Å; Y596-Q611 HydrophobicContact CE2-CG 4.05Å; Y596-I614 HydrophobicContact CD2-CD1 3.92Å; Y596-I614 HydrophobicContact CE2-CD1 4.01Å; Y596-I632 HydrophobicContact CD2-CG2 3.71Å; Y596-I632 HydrophobicContact CE2-CG2 3.83Å; Y596-T634 HydrophobicContact CD1-CG2 4.37Å; Y596-T634 HydrophobicContact CE1-CG2 4.41Å; Y596-S636 PolarHBondContact N-O 2.86Å; Y596-F638 HydrophobicContact CD2-CE2 4.16Å
597K86.4Confident85.8Confident125 Ų12563.7 Ų63.754%0.54335%0.347SS..Hα-helixtrans-64.9-43.2178.7-74.3-174177.81780112.4T595 L599 Q600 D601T595-K597 VanDerWaalsContact C-N 3.27Å; T595-K597 PolarHBondContact O-N 3.5Å; K597-L599 VanDerWaalsContact C-N 3.3Å; K597-L599 PolarHBondContact O-N 3.49Å; K597-Q600 WeakPolarHBondContact O-CB 3.42Å; K597-Q600 PolarHBondContact O-N 3.22Å; K597-Q600 VanDerWaalsContact O-N 3.12Å; K597-D601 WeakPolarHBondContact O-CB 3.29Å; K597-D601 VanDerWaalsContact O-CG 3.31Å; K597-D601 PolarHBondContact O-N 3.23Å
598E87.4Confident85.6Confident109 Ų10970.1 Ų70.151%0.50937%0.368SS..Hα-helixtrans-62.4-38.7176-73.1162.5162.800111.8V594 T595 G602V594-E598 HydrophobicContact CG1-CB 3.6Å; T595-E598 PolarHBondContact N-OE2 2.79Å; T595-E598 PolarHBondContact O-N 2.88Å; T595-E598 WeakPolarHBondContact OG1-CB 3.46Å; T595-E598 WeakPolarHBondContact OG1-CG 3.27Å; T595-E598 PolarHBondContact OG1-N 3.16Å; T595-E598 PolarHBondContact OG1-OE2 3.03Å; E598-G602 PolarHBondContact O-N 2.94Å
599L87.8Confident85.2Confident2 Ų272.9 Ų72.91%0.0138%0.381CS..Hα-helixtrans-65.3-40.3173.1-70.2175.4000111.8V584 A587 F588 V594 T595 Y596 K597 T603 I614 F638V584-L599 HydrophobicContact CG1-CD1 4.28Å; V584-L599 HydrophobicContact CG1-CD2 4.21Å; A587-L599 HydrophobicContact CB-CD2 3.68Å; F588-L599 HydrophobicContact CE2-CD2 4.34Å; F588-L599 HydrophobicContact CZ-CD1 4.45Å; F588-L599 HydrophobicContact CZ-CD2 4.5Å; V594-L599 HydrophobicContact CB-CD2 4.41Å; V594-L599 HydrophobicContact CB-CG 4.4Å; V594-L599 HydrophobicContact CG1-CD2 3.87Å; V594-L599 HydrophobicContact CG1-CG 3.78Å; T595-L599 PolarHBondContact O-N 3.48Å; T595-L599 VanDerWaalsContact O-N 3.09Å; Y596-L599 PolarHBondContact O-N 3.36Å; K597-L599 VanDerWaalsContact C-N 3.3Å; K597-L599 PolarHBondContact O-N 3.49Å; L599-T603 WeakPolarHBondContact O-CB 3.21Å; L599-T603 WeakPolarHBondContact O-CG2 3.22Å; L599-T603 PolarHBondContact O-N 3.01Å; L599-T603 PolarHBondContact O-OG1 2.93Å; L599-I614 HydrophobicContact CD1-CD1 4.06Å; L599-F638 HydrophobicContact CD1-CD2 3.93Å
600Q88.3Confident85.2Confident44 Ų4467.8 Ų67.821%0.20635%0.354CS..Hα-helixtrans-65.7-45.5177.4-171.9175.213.900111.4Y596 K597 Q604 E607 L610Y596-Q600 WeakPolarHBondContact O-CB 3.25Å; Y596-Q600 PolarHBondContact O-N 3.42Å; K597-Q600 WeakPolarHBondContact O-CB 3.42Å; K597-Q600 PolarHBondContact O-N 3.22Å; K597-Q600 VanDerWaalsContact O-N 3.12Å; Q600-Q604 WeakPolarHBondContact O-CA 3.46Å; Q600-Q604 PolarHBondContact O-N 2.96Å; Q600-E607 VanDerWaalsContact NE2-CG 3.34Å; Q600-L610 HydrophobicContact CB-CD2 3.75Å; Q600-L610 HydrophobicContact CG-CD2 4.24Å
601D86.3Confident85.3Confident108 Ų10864.3 Ų64.358%0.57833%0.333SS*.Hα-helixtrans-68.5-38.2179.4-69.5-24.6000111.7K597 Q604K597-D601 WeakPolarHBondContact O-CB 3.29Å; K597-D601 VanDerWaalsContact O-CG 3.31Å; K597-D601 PolarHBondContact O-N 3.23Å; D601-Q604 WeakPolarHBondContact O-CG 3.4Å; D601-Q604 PolarHBondContact O-NE2 2.92Å
602G84.3Confident85.3Confident52 Ų5264.7 Ų64.754%0.53633%0.327SS..Hα-helixtrans-74.7-31.3179.700000114.1A528 E598A528-G602 WeakPolarHBondContact CB-O 3.23Å; E598-G602 PolarHBondContact O-N 2.94Å
603T85.9Confident85.7Confident5 Ų560.5 Ų60.53%0.03131%0.308CS..Hα-helixtrans-101-18.8-179.564.20000113.6F527 A528 A583 V584 L599 M605F527-T603 WeakPolarHBondContact CA-O 3.38Å; F527-T603 WeakPolarHBondContact CD2-O 3.49Å; A528-T603 PolarHBondContact N-O 3.46Å; A583-T603 HydrophobicContact CB-CG2 3.88Å; V584-T603 HydrophobicContact CG2-CG2 4.42Å; L599-T603 WeakPolarHBondContact O-CB 3.21Å; L599-T603 WeakPolarHBondContact O-CG2 3.22Å; L599-T603 PolarHBondContact O-N 3.01Å; L599-T603 PolarHBondContact O-OG1 2.93Å; T603-M605 PolarHBondContact O-N 2.99Å; T603-M605 VanDerWaalsContact O-N 3.15Å
604Q86.9Confident85.7Confident90 Ų9056.8 Ų56.842%0.42129%0.285SS..  trans51.931.8-176.7-66-69-36.400113.1T526 A528 Q600 D601T526-Q604 CarbonylContact C-O 3.59Å; T526-Q604 CarbonylContact O-C 3.58Å; T526-Q604 WeakPolarHBondContact O-CB 3.35Å; T526-Q604 PolarHBondContact OG1-O 3.04Å; A528-Q604 HydrophobicContact CB-CB 4.28Å; A528-Q604 HydrophobicContact CB-CG 4.18Å; Q600-Q604 WeakPolarHBondContact O-CA 3.46Å; Q600-Q604 PolarHBondContact O-N 2.96Å; D601-Q604 WeakPolarHBondContact O-CG 3.4Å; D601-Q604 PolarHBondContact O-NE2 2.92Å
605M84.1Confident85.6Confident7 Ų762 Ų623%0.03431%0.307CS..  trans-84.4152.5179.2-70.2-179.262.700112.4F527 Y580 T603 E609 L610F527-M605 HydrophobicContact CD2-CG 3.82Å; F527-M605 HydrophobicContact CD2-SD 4.27Å; F527-M605 HydrophobicContact CE2-CG 4.37Å; F527-M605 HydrophobicContact CE2-SD 4.29Å; Y580-M605 HydrophobicContact CD1-CE 3.74Å; Y580-M605 HydrophobicContact CD1-CG 4.36Å; Y580-M605 HydrophobicContact CD1-SD 3.72Å; Y580-M605 HydrophobicContact CD2-CE 3.7Å; Y580-M605 HydrophobicContact CE1-CE 4.31Å; Y580-M605 HydrophobicContact CE1-SD 4.45Å; Y580-M605 HydrophobicContact CE2-CE 4.26Å; Y580-M605 HydrophobicContact CG-CE 3.41Å; Y580-M605 VanDerWaalsContact CG-CE 3.41Å; Y580-M605 HydrophobicContact CG-SD 3.88Å; T603-M605 PolarHBondContact O-N 2.99Å; T603-M605 VanDerWaalsContact O-N 3.15Å; M605-E609 HydrophobicContact CE-CB 3.89Å; M605-L610 HydrophobicContact CB-CB 4.25Å; M605-L610 HydrophobicContact SD-CD1 4.46Å
606N83.8Confident85.4Confident90 Ų9060.4 Ų60.448%0.48130%0.297SS..  trans-64.5141170.8-63.8-0.6000110.7K608 E609 L610N606-K608 VanDerWaalsContact C-N 3.29Å; N606-K608 PolarHBondContact O-N 3.45Å; N606-K608 VanDerWaalsContact O-N 3.16Å; N606-E609 PolarHBondContact O-N 3.34Å; N606-L610 PolarHBondContact O-N 2.81Å
607E82.4Confident85.3Confident108 Ų10860.3 Ų60.351%0.50530%0.297SS..Hα-helixtrans-51.1-44.7-175.9-68.5177.317800113.5Y596 Q600 E609 L610 Q611Y596-E607 WeakPolarHBondContact OH-CA 3.5Å; Y596-E607 PolarHBondContact OH-O 3.1Å; Q600-E607 VanDerWaalsContact NE2-CG 3.34Å; E607-E609 PolarHBondContact O-N 3.34Å; E607-L610 PolarHBondContact O-N 3.08Å; E607-Q611 WeakPolarHBondContact O-CB 3.47Å; E607-Q611 WeakPolarHBondContact O-CG 3.43Å; E607-Q611 PolarHBondContact O-N 3.41Å
608K82.3Confident85.2Confident173 Ų17356.7 Ų56.775%0.75228%0.282SS*.Hα-helixtrans-61.5-42.2179.4-66.9-176.3179.4179.20112.7N606 K612N606-K608 VanDerWaalsContact C-N 3.29Å; N606-K608 PolarHBondContact O-N 3.45Å; N606-K608 VanDerWaalsContact O-N 3.16Å; K608-K612 WeakPolarHBondContact O-CB 3.29Å; K608-K612 PolarHBondContact O-N 3.31Å
609E80.5Confident85Confident69 Ų6957 Ų5732%0.32229%0.288SS..Hα-helixtrans-74.5-38.2179.7-69.8-58.2146.300111M605 N606 E607 K612 T613M605-E609 HydrophobicContact CE-CB 3.89Å; N606-E609 PolarHBondContact O-N 3.34Å; E607-E609 PolarHBondContact O-N 3.34Å; E609-K612 PolarHBondContact O-N 3.16Å; E609-T613 VanDerWaalsContact O-CB 3.27Å; E609-T613 WeakPolarHBondContact O-CB 3.26Å; E609-T613 PolarHBondContact O-N 3.08Å; E609-T613 PolarHBondContact O-OG1 3.5Å
610L85.6Confident84.8Confident0 Ų059.2 Ų59.20%030%0.301CS..Hα-helixtrans-64.1-48.4176.1-177.458.9000111.5V584 Y596 Q600 M605 N606 E607 K612 T613 I614V584-L610 HydrophobicContact CG2-CD1 3.93Å; Y596-L610 HydrophobicContact CD2-CD2 4.44Å; Y596-L610 HydrophobicContact CE1-CD2 4.33Å; Y596-L610 HydrophobicContact CE2-CD2 3.84Å; Y596-L610 HydrophobicContact CE2-CG 4.01Å; Q600-L610 HydrophobicContact CB-CD2 3.75Å; Q600-L610 HydrophobicContact CG-CD2 4.24Å; M605-L610 HydrophobicContact CB-CB 4.25Å; M605-L610 HydrophobicContact SD-CD1 4.46Å; N606-L610 PolarHBondContact O-N 2.81Å; E607-L610 PolarHBondContact O-N 3.08Å; L610-K612 VanDerWaalsContact C-N 3.33Å; L610-K612 PolarHBondContact O-N 2.84Å; L610-T613 WeakPolarHBondContact O-CB 3.2Å; L610-T613 PolarHBondContact O-N 2.99Å; L610-I614 HydrophobicContact CD1-CD1 3.83Å; L610-I614 HydrophobicContact CD1-CG1 4.12Å; L610-I614 HydrophobicContact CG-CD1 3.78Å; L610-I614 HydrophobicContact CG-CG1 4.45Å; L610-I614 VanDerWaalsContact O-CG1 3.3Å; L610-I614 WeakPolarHBondContact O-CG1 3.19Å; L610-I614 PolarHBondContact O-N 3.37Å
611Q85.5Confident84.7Confident76 Ų7664.1 Ų64.136%0.35532%0.322SS..Hα-helixtrans-57.1-45.6175.1-78178.6-17.800111.8Y596 E607 T613 I614 K615 I632Y596-Q611 HydrophobicContact CE2-CG 4.05Å; E607-Q611 WeakPolarHBondContact O-CB 3.47Å; E607-Q611 WeakPolarHBondContact O-CG 3.43Å; E607-Q611 PolarHBondContact O-N 3.41Å; Q611-T613 VanDerWaalsContact C-N 3.34Å; Q611-T613 PolarHBondContact O-N 3.44Å; Q611-I614 PolarHBondContact O-N 3.3Å; Q611-K615 VanDerWaalsContact O-CB 3.24Å; Q611-K615 WeakPolarHBondContact O-CB 3.32Å; Q611-K615 PolarHBondContact O-N 3.01Å; Q611-I632 HydrophobicContact CG-CB 4.45Å; Q611-I632 HydrophobicContact CG-CG2 4.21Å; Q611-I632 PolarHBondContact NE2-O 3.06Å
612K82.6Confident84.5Confident71 Ų7159 Ų5931%0.30930%0.295SS..Hα-helixtrans-63.2-39.8177.5-173.8-179.2179.1-175.70112.3K608 E609 L610 S616 S656K608-K612 WeakPolarHBondContact O-CB 3.29Å; K608-K612 PolarHBondContact O-N 3.31Å; E609-K612 PolarHBondContact O-N 3.16Å; L610-K612 VanDerWaalsContact C-N 3.33Å; L610-K612 PolarHBondContact O-N 2.84Å; K612-S616 WeakPolarHBondContact O-CB 3.4Å; K612-S616 PolarHBondContact O-N 3.19Å; K612-S656 WeakPolarHBondContact CE-OG 3.38Å
613T86.3Confident84.6Confident6 Ų656.8 Ų56.84%0.03727%0.27CS..Hα-helixtrans-64.7-48.8177.6-61.60000111Q581 V584 E609 L610 Q611 S616 L617Q581-T613 HydrophobicContact CB-CG2 4.27Å; Q581-T613 HydrophobicContact CG-CG2 3.63Å; V584-T613 HydrophobicContact CG2-CG2 4.07Å; E609-T613 VanDerWaalsContact O-CB 3.27Å; E609-T613 WeakPolarHBondContact O-CB 3.26Å; E609-T613 PolarHBondContact O-N 3.08Å; E609-T613 PolarHBondContact O-OG1 3.5Å; L610-T613 WeakPolarHBondContact O-CB 3.2Å; L610-T613 PolarHBondContact O-N 2.99Å; Q611-T613 VanDerWaalsContact C-N 3.34Å; Q611-T613 PolarHBondContact O-N 3.44Å; T613-S616 PolarHBondContact O-N 3.46Å; T613-L617 WeakPolarHBondContact O-CG 3.42Å; T613-L617 PolarHBondContact O-N 2.96Å
614I87Confident84.5Confident0 Ų059.7 Ų59.70%029%0.285CS..Hα-helixtrans-63.8-47.8177.4-66.1168.8000110.4V584 Y596 L599 L610 Q611 S616 L617 M618 L623 I632 F638V584-I614 HydrophobicContact CG1-CG1 4.49Å; Y596-I614 HydrophobicContact CD2-CD1 3.92Å; Y596-I614 HydrophobicContact CE2-CD1 4.01Å; L599-I614 HydrophobicContact CD1-CD1 4.06Å; L610-I614 HydrophobicContact CD1-CD1 3.83Å; L610-I614 HydrophobicContact CD1-CG1 4.12Å; L610-I614 HydrophobicContact CG-CD1 3.78Å; L610-I614 HydrophobicContact CG-CG1 4.45Å; L610-I614 VanDerWaalsContact O-CG1 3.3Å; L610-I614 WeakPolarHBondContact O-CG1 3.19Å; L610-I614 PolarHBondContact O-N 3.37Å; Q611-I614 PolarHBondContact O-N 3.3Å; I614-S616 VanDerWaalsContact C-N 3.27Å; I614-S616 PolarHBondContact O-N 3.27Å; I614-L617 CarbonylContact O-C 3.56Å; I614-L617 WeakPolarHBondContact O-CA 3.39Å; I614-L617 WeakPolarHBondContact O-CB 3.36Å; I614-L617 PolarHBondContact O-N 3.3Å; I614-M618 HydrophobicContact CG2-CG 4.17Å; I614-M618 HydrophobicContact CG2-SD 3.83Å; I614-M618 WeakPolarHBondContact O-CG 3.41Å; I614-M618 PolarHBondContact O-N 3.09Å; I614-L623 HydrophobicContact CG2-CD1 4.47Å; I614-I632 HydrophobicContact CB-CD1 4.19Å; I614-I632 HydrophobicContact CG2-CD1 3.93Å; I614-F638 HydrophobicContact CD1-CE2 4.11Å; I614-F638 HydrophobicContact CD1-CZ 4.32Å; I614-F638 HydrophobicContact CG2-CD1 3.98Å; I614-F638 HydrophobicContact CG2-CE1 3.52Å; I614-F638 HydrophobicContact CG2-CE2 4.37Å; I614-F638 HydrophobicContact CG2-CZ 3.74Å
615K85.4Confident84.2Confident119 Ų11957.3 Ų57.352%0.51727%0.274SS..Hα-helixtrans-56.4-42.4177.6-171.8164.9-174.6161.90111.7Q611 L617 M618 D619 I632Q611-K615 VanDerWaalsContact O-CB 3.24Å; Q611-K615 WeakPolarHBondContact O-CB 3.32Å; Q611-K615 PolarHBondContact O-N 3.01Å; K615-L617 VanDerWaalsContact C-N 3.27Å; K615-L617 PolarHBondContact O-N 3.43Å; K615-M618 PolarHBondContact O-N 2.96Å; K615-D619 WeakPolarHBondContact O-CB 3.33Å; K615-D619 PolarHBondContact O-N 2.9Å; K615-I632 HydrophobicContact CB-CD1 4.27Å
616S86.4Confident83.5Confident12 Ų1261.9 Ų61.98%0.08430%0.299CS..Hα-helixtrans-62.2-30.8174.9-1790000113.8Q581 K612 T613 I614 V620Q581-S616 PolarHBondContact NE2-OG 3.5Å; Q581-S616 VanDerWaalsContact NE2-OG 3.11Å; K612-S616 WeakPolarHBondContact O-CB 3.4Å; K612-S616 PolarHBondContact O-N 3.19Å; T613-S616 PolarHBondContact O-N 3.46Å; I614-S616 VanDerWaalsContact C-N 3.27Å; I614-S616 PolarHBondContact O-N 3.27Å; S616-V620 WeakPolarHBondContact O-CG2 3.43Å
617L86.8Confident82.2Confident0 Ų065.5 Ų65.50%032%0.317CS..Hα-helixtrans-80-33.6175.8-66.8173.1000111.7Q581 V584 L585 T613 I614 K615 K621 M622 L623 I653Q581-L617 HydrophobicContact CB-CD1 4.48Å; Q581-L617 HydrophobicContact CB-CD2 4.24Å; Q581-L617 HydrophobicContact CG-CD1 4.5Å; Q581-L617 HydrophobicContact CG-CD2 4.18Å; Q581-L617 HydrophobicContact CG-CG 4.27Å; V584-L617 HydrophobicContact CB-CD1 4.22Å; V584-L617 HydrophobicContact CG1-CD1 3.88Å; L585-L617 HydrophobicContact CD1-CD2 4.23Å; L585-L617 HydrophobicContact CD2-CD1 4.23Å; L585-L617 HydrophobicContact CD2-CD2 4.49Å; L585-L617 HydrophobicContact CG-CD1 4.2Å; L585-L617 HydrophobicContact CG-CD2 4.46Å; T613-L617 WeakPolarHBondContact O-CG 3.42Å; T613-L617 PolarHBondContact O-N 2.96Å; I614-L617 CarbonylContact O-C 3.56Å; I614-L617 WeakPolarHBondContact O-CA 3.39Å; I614-L617 WeakPolarHBondContact O-CB 3.36Å; I614-L617 PolarHBondContact O-N 3.3Å; K615-L617 VanDerWaalsContact C-N 3.27Å; K615-L617 PolarHBondContact O-N 3.43Å; L617-K621 PolarHBondContact O-N 3.25Å; L617-M622 HydrophobicContact CD2-SD 4.44Å; L617-M622 PolarHBondContact O-N 2.96Å; L617-L623 HydrophobicContact CB-CD1 3.78Å; L617-L623 HydrophobicContact CB-CG 4.06Å; L617-L623 HydrophobicContact CD1-CD1 3.84Å; L617-L623 HydrophobicContact CG-CD1 4.47Å; L617-I653 HydrophobicContact CD2-CD1 3.65Å
618M83.5Confident80.6Confident49 Ų4969.4 Ų69.424%0.24134%0.336CS..Hα-helixtrans-68.6-41.2173.9-69176.563.200112.3I614 K615 V620 K621 L623 H625 I632 F638I614-M618 HydrophobicContact CG2-CG 4.17Å; I614-M618 HydrophobicContact CG2-SD 3.83Å; I614-M618 WeakPolarHBondContact O-CG 3.41Å; I614-M618 PolarHBondContact O-N 3.09Å; K615-M618 PolarHBondContact O-N 2.96Å; M618-V620 PolarHBondContact O-N 3.39Å; M618-K621 VanDerWaalsContact O-CA 3.27Å; M618-K621 WeakPolarHBondContact O-CA 3.5Å; M618-K621 PolarHBondContact O-N 3.11Å; M618-L623 HydrophobicContact CG-CB 4.28Å; M618-H625 HydrophobicContact CE-CB 3.42Å; M618-H625 VanDerWaalsContact CE-CB 3.42Å; M618-H625 HydrophobicContact SD-CB 4.3Å; M618-I632 HydrophobicContact SD-CD1 4.21Å; M618-I632 HydrophobicContact SD-CG1 4.38Å; M618-F638 HydrophobicContact SD-CD1 4.41Å; M618-F638 HydrophobicContact SD-CE1 3.84Å
619D83.5Confident79.3Confident116 Ų11666.7 Ų66.762%0.6232%0.324SS*.Hα-helixtrans-61.2-33.9178-69.5-21.1000111.5K615 K621K615-D619 WeakPolarHBondContact O-CB 3.33Å; K615-D619 PolarHBondContact O-N 2.9Å; D619-K621 PolarHBondContact O-N 3.37Å
620V83.7Confident78.1Confident48 Ų4872.9 Ų72.929%0.29135%0.353SS..THydrogen-bonded Turntrans-81.4-4.2173.5-177.30000112S616 M618 M622 F644 F651 I653S616-V620 WeakPolarHBondContact O-CG2 3.43Å; M618-V620 PolarHBondContact O-N 3.39Å; V620-M622 VanDerWaalsContact C-N 3.3Å; V620-M622 HydrophobicContact CB-CG 4.48Å; V620-M622 HydrophobicContact CG1-CG 4.08Å; V620-M622 HydrophobicContact CG1-SD 4.28Å; V620-M622 PolarHBondContact O-N 3.16Å; V620-F644 HydrophobicContact CG1-CE2 4.29Å; V620-F644 WeakPolarHBondContact O-CE2 3.43Å; V620-F651 HydrophobicContact CG1-CE2 4.22Å; V620-I653 HydrophobicContact CG2-CG2 4.03Å
621K85.3Confident77.2Confident148 Ų14880.2 Ų80.264%0.64339%0.387SS*.THydrogen-bonded Turntrans61.533.6-177.9-50.7-173.4176.5-172.20113.6L617 M618 D619 N641L617-K621 PolarHBondContact O-N 3.25Å; M618-K621 VanDerWaalsContact O-CA 3.27Å; M618-K621 WeakPolarHBondContact O-CA 3.5Å; M618-K621 PolarHBondContact O-N 3.11Å; D619-K621 PolarHBondContact O-N 3.37Å; K621-N641 WeakPolarHBondContact O-CB 3.46Å; K621-N641 PolarHBondContact O-ND2 2.89Å
622M83.6Confident76.4Confident1 Ų177.9 Ų77.91%0.00538%0.377CS..SBendtrans-85.1-31.4173.4-73.6-175.454.100112.6M566 L585 L617 V620 N641 F644 F651 I653M566-M622 HydrophobicContact CE-CE 3.15Å; M566-M622 HydrophobicContact CE-SD 3.75Å; M566-M622 HydrophobicContact SD-CE 3.9Å; L585-M622 HydrophobicContact CD1-CE 3.72Å; L585-M622 HydrophobicContact CD2-CE 3.86Å; L585-M622 HydrophobicContact CG-CE 4.48Å; L617-M622 HydrophobicContact CD2-SD 4.44Å; L617-M622 PolarHBondContact O-N 2.96Å; V620-M622 VanDerWaalsContact C-N 3.3Å; V620-M622 HydrophobicContact CB-CG 4.48Å; V620-M622 HydrophobicContact CG1-CG 4.08Å; V620-M622 HydrophobicContact CG1-SD 4.28Å; V620-M622 PolarHBondContact O-N 3.16Å; M622-N641 WeakPolarHBondContact O-CB 3.36Å; M622-N641 PolarHBondContact O-N 3.31Å; M622-F644 HydrophobicContact CG-CD2 4.33Å; M622-F644 HydrophobicContact CG-CE2 4.17Å; M622-F651 HydrophobicContact SD-CE2 4.23Å; M622-F651 HydrophobicContact SD-CZ 4.33Å; M622-I653 HydrophobicContact CE-CD1 4.3Å; M622-I653 HydrophobicContact SD-CD1 3.32Å; M622-I653 WeakPolarHBondContact SD-CD1 3.39Å; M622-I653 HydrophobicContact SD-CG1 4.34Å
623L85.7Confident76.1Confident5 Ų578.6 Ų78.63%0.02638%0.381CS..EExtended strand (participates in β ladder)trans-110.4137.8173.3-63.5176.7000109.3V584 F588 I614 L617 M618 S639 L640V584-L623 HydrophobicContact CG1-CD1 4.25Å; F588-L623 HydrophobicContact CD2-CD2 4.18Å; F588-L623 HydrophobicContact CE1-CD2 4.49Å; F588-L623 HydrophobicContact CE2-CD1 4.43Å; F588-L623 HydrophobicContact CE2-CD2 3.62Å; F588-L623 HydrophobicContact CZ-CD2 3.81Å; I614-L623 HydrophobicContact CG2-CD1 4.47Å; L617-L623 HydrophobicContact CB-CD1 3.78Å; L617-L623 HydrophobicContact CB-CG 4.06Å; L617-L623 HydrophobicContact CD1-CD1 3.84Å; L617-L623 HydrophobicContact CG-CD1 4.47Å; M618-L623 HydrophobicContact CG-CB 4.28Å; L623-S639 CarbonylContact C-O 3.53Å; L623-S639 WeakPolarHBondContact CA-O 3.47Å; L623-L640 HydrophobicContact CD2-CD1 4.34Å
624N83Confident75.4Confident65 Ų6582 Ų8235%0.34840%0.402SS..EExtended strand (participates in β ladder)trans-95.1138.7167.3-65.4-25.9000108.4F638 S639 N641N624-F638 WeakPolarHBondContact O-CA 3.38Å; N624-S639 PolarHBondContact N-O 3.06Å; N624-S639 PolarHBondContact O-N 2.95Å; N624-N641 WeakPolarHBondContact OD1-CB 3.12Å
625H81.4Confident74.8Confident40 Ų4090.1 Ų90.119%0.18544%0.44CS..EExtended strand (participates in β ladder)trans-108.7149174.4173.1-105.1000109.2M618 L627 K629 S636 F638M618-H625 HydrophobicContact CE-CB 3.42Å; M618-H625 VanDerWaalsContact CE-CB 3.42Å; M618-H625 HydrophobicContact SD-CB 4.3Å; H625-L627 PolarHBondContact O-N 3.42Å; H625-K629 PolarHBondContact CE1-O 3.38Å; H625-K629 PolarHBondContact ND1-O 3.46Å; H625-S636 PolarHBondContact NE2-OG 3.39Å; H625-F638 HydrophobicContact CB-CD1 4.33Å; H625-F638 HydrophobicContact CB-CE1 4.28Å; H625-F638 AromaticContact CD2-CE1 3.54Å
626D69.6Low74.6Confident103 Ų10385 Ų8555%0.55142%0.419SS*.  trans-62.9135.2-177.9-121.3-18.1000111.9Q628 T637D626-Q628 VanDerWaalsContact C-N 3.34Å; D626-Q628 PolarHBondContact O-N 2.78Å; D626-T637 WeakPolarHBondContact CB-OG1 3.15Å; D626-T637 VanDerWaalsContact CG-OG1 3.31Å; D626-T637 PolarHBondContact OD2-OG1 3.23Å
627L55.3Low74.5Confident167 Ų16786 Ų8687%0.87443%0.425SS*.THydrogen-bonded Turntrans-65.121.5-143.2-94.9155.8000120.5H625H625-L627 PolarHBondContact O-N 3.42Å
628Q49.9Very low74.6Confident190 Ų19086 Ų8689%0.88843%0.425SS*.THydrogen-bonded Turntrans-142.5-1-172.8-68.2-170.7-600119.7D626D626-Q628 VanDerWaalsContact C-N 3.34Å; D626-Q628 PolarHBondContact O-N 2.78Å
629K53.8Low74.8Confident115 Ų11585.4 Ų85.450%0.543%0.425SS..  trans-133.7132.4-178.2-61.9-175.2-179.1-175.40113.1H625 E631 E633H625-K629 PolarHBondContact CE1-O 3.38Å; H625-K629 PolarHBondContact ND1-O 3.46Å; K629-E631 VanDerWaalsContact C-N 3.29Å; K629-E631 PolarHBondContact O-N 2.78Å; K629-E633 WeakPolarHBondContact CD-OE1 3.01Å; K629-E633 IonicContact NZ-OE1 2.77Å; K629-E633 PolarHBondContact NZ-OE1 2.81Å; K629-E633 IonicContact NZ-OE2 2.79Å; K629-E633 PolarHBondContact NZ-OE2 3.07Å
630E57.3Low74.9Confident200 Ų20080.8 Ų80.894%0.93540%0.4SS*.SBendtrans-73.5-18.2175.4-75.2-163.3156.700113.5
631E64.8Low75Confident153 Ų15379.1 Ų79.172%0.71539%0.39SS*.SBendtrans-101.8138.3-178.5-66.1-166.5158.100112.5K629 E633K629-E631 VanDerWaalsContact C-N 3.29Å; K629-E631 PolarHBondContact O-N 2.78Å; E631-E633 PolarHBondContact O-N 2.84Å
632I70.6Confident74.9Confident27 Ų2777.1 Ų77.114%0.13838%0.384CS..  trans-80102.1179.1-62.8166.9000109.1Y596 Q611 I614 K615 M618 F638Y596-I632 HydrophobicContact CD2-CG2 3.71Å; Y596-I632 HydrophobicContact CE2-CG2 3.83Å; Q611-I632 HydrophobicContact CG-CB 4.45Å; Q611-I632 HydrophobicContact CG-CG2 4.21Å; Q611-I632 PolarHBondContact NE2-O 3.06Å; I614-I632 HydrophobicContact CB-CD1 4.19Å; I614-I632 HydrophobicContact CG2-CD1 3.93Å; K615-I632 HydrophobicContact CB-CD1 4.27Å; M618-I632 HydrophobicContact SD-CD1 4.21Å; M618-I632 HydrophobicContact SD-CG1 4.38Å; I632-F638 HydrophobicContact CG1-CZ 4.38Å; I632-F638 HydrophobicContact CG2-CZ 3.87Å
633E75.3Confident74.8Confident86 Ų8681.4 Ų81.440%0.40241%0.414SS..  trans-91.3160.4172.5-67.1175-17700111.6K629 E631 E635 S636K629-E633 WeakPolarHBondContact CD-OE1 3.01Å; K629-E633 IonicContact NZ-OE1 2.77Å; K629-E633 PolarHBondContact NZ-OE1 2.81Å; K629-E633 IonicContact NZ-OE2 2.79Å; K629-E633 PolarHBondContact NZ-OE2 3.07Å; E631-E633 PolarHBondContact O-N 2.84Å; E633-E635 PolarHBondContact O-N 3.3Å; E633-E635 VanDerWaalsContact O-N 3.13Å; E633-S636 PolarHBondContact N-OG 3.11Å; E633-S636 WeakPolarHBondContact O-CB 3.3Å; E633-S636 PolarHBondContact O-N 3.37Å; E633-S636 PolarHBondContact O-OG 3.34Å
634T71.2Confident74.7Confident78 Ų7881.9 Ų81.948%0.47942%0.416SS..THydrogen-bonded Turntrans-63.6-17.2-179.251.80000114.7Y596Y596-T634 HydrophobicContact CD1-CG2 4.37Å; Y596-T634 HydrophobicContact CE1-CG2 4.41Å
635E73.9Confident74.6Confident171 Ų17184.4 Ų84.480%0.79943%0.434SS*.THydrogen-bonded Turntrans-98.53.5177.6-161.7157.1-161.600112.3E633 T637E633-E635 PolarHBondContact O-N 3.3Å; E633-E635 VanDerWaalsContact O-N 3.13Å; E635-T637 PolarHBondContact O-N 3.03Å
636S81.8Confident74.6Confident10 Ų1084.6 Ų84.67%0.0744%0.44CS..  trans-63.6136.1178-58.50000111.1Y596 H625 E633Y596-S636 PolarHBondContact N-O 2.86Å; H625-S636 PolarHBondContact NE2-OG 3.39Å; E633-S636 PolarHBondContact N-OG 3.11Å; E633-S636 WeakPolarHBondContact O-CB 3.3Å; E633-S636 PolarHBondContact O-N 3.37Å; E633-S636 PolarHBondContact O-OG 3.34Å
637T85.4Confident75.3Confident35 Ų3590 Ų9022%0.21546%0.459CS..EExtended strand (participates in β ladder)trans-101144.4169.166.90000109T595 D626 E635T595-T637 HydrophobicContact CG2-CG2 4.31Å; D626-T637 WeakPolarHBondContact CB-OG1 3.15Å; D626-T637 VanDerWaalsContact CG-OG1 3.31Å; D626-T637 PolarHBondContact OD2-OG1 3.23Å; E635-T637 PolarHBondContact O-N 3.03Å
638F88.1Confident76.6Confident0 Ų090.6 Ų90.60%045%0.449CS..EExtended strand (participates in β ladder)trans-124141.1177.1-59.4-78.1000109F588 T593 V594 Y596 L599 I614 M618 N624 H625 I632F588-F638 HydrophobicContact CE1-CB 4.39Å; F588-F638 WeakPolarHBondContact CE1-O 3.34Å; F588-F638 HydrophobicContact CZ-CB 3.96Å; T593-F638 CarbonylContact C-O 3.56Å; T593-F638 VanDerWaalsContact CA-O 3.27Å; T593-F638 WeakPolarHBondContact CA-O 3.3Å; T593-F638 WeakPolarHBondContact CG2-O 3.46Å; V594-F638 PolarHBondContact N-O 3.3Å; V594-F638 PolarHBondContact O-N 2.98Å; Y596-F638 HydrophobicContact CD2-CE2 4.16Å; L599-F638 HydrophobicContact CD1-CD2 3.93Å; I614-F638 HydrophobicContact CD1-CE2 4.11Å; I614-F638 HydrophobicContact CD1-CZ 4.32Å; I614-F638 HydrophobicContact CG2-CD1 3.98Å; I614-F638 HydrophobicContact CG2-CE1 3.52Å; I614-F638 HydrophobicContact CG2-CE2 4.37Å; I614-F638 HydrophobicContact CG2-CZ 3.74Å; M618-F638 HydrophobicContact SD-CD1 4.41Å; M618-F638 HydrophobicContact SD-CE1 3.84Å; N624-F638 WeakPolarHBondContact O-CA 3.38Å; H625-F638 HydrophobicContact CB-CD1 4.33Å; H625-F638 HydrophobicContact CB-CE1 4.28Å; H625-F638 AromaticContact CD2-CE1 3.54Å; I632-F638 HydrophobicContact CG1-CZ 4.38Å; I632-F638 HydrophobicContact CG2-CZ 3.87Å
639S86.8Confident78.3Confident35 Ų3585.6 Ų85.625%0.24543%0.431CS..EExtended strand (participates in β ladder)trans-131.3153.1174.8580000111.1Q592 L623 N624Q592-S639 WeakPolarHBondContact O-CA 3.43Å; L623-S639 CarbonylContact C-O 3.53Å; L623-S639 WeakPolarHBondContact CA-O 3.47Å; N624-S639 PolarHBondContact N-O 3.06Å; N624-S639 PolarHBondContact O-N 2.95Å
640L86.1Confident79.8Confident19 Ų1985 Ų8510%0.09943%0.429CS..EExtended strand (participates in β ladder)trans-72.6132.4-180-164.768.4000110.9Y568 Q592 L623 M642Y568-L640 HydrophobicContact CD1-CD2 3.47Å; Y568-L640 VanDerWaalsContact CD1-CD2 3.47Å; Y568-L640 HydrophobicContact CD1-CG 4.47Å; Y568-L640 HydrophobicContact CD2-CD2 3.82Å; Y568-L640 HydrophobicContact CD2-CG 4.43Å; Y568-L640 HydrophobicContact CE1-CD1 4.14Å; Y568-L640 HydrophobicContact CE1-CD2 3.28Å; Y568-L640 HydrophobicContact CE1-CG 3.85Å; Y568-L640 HydrophobicContact CE2-CD2 3.59Å; Y568-L640 HydrophobicContact CE2-CG 3.74Å; Y568-L640 HydrophobicContact CG-CD2 3.76Å; Y568-L640 VanDerWaalsContact CZ-CG 3.42Å; Y568-L640 WeakPolarHBondContact OH-CG 3.39Å; Q592-L640 PolarHBondContact O-N 3.49Å; L623-L640 HydrophobicContact CD2-CD1 4.34Å; L640-M642 PolarHBondContact O-N 3.23Å; L640-M642 VanDerWaalsContact O-N 3.09Å
641N86.6Confident81.2Confident14 Ų1476.5 Ų76.58%0.07539%0.389CS..  trans-75.7103.3-179.5-174.95.9000111.9Y568 K621 M622 N624 S643 F644Y568-N641 WeakPolarHBondContact CE2-O 3.34Å; Y568-N641 PolarHBondContact OH-O 2.86Å; K621-N641 WeakPolarHBondContact O-CB 3.46Å; K621-N641 PolarHBondContact O-ND2 2.89Å; M622-N641 WeakPolarHBondContact O-CB 3.36Å; M622-N641 PolarHBondContact O-N 3.31Å; N624-N641 WeakPolarHBondContact OD1-CB 3.12Å; N641-S643 VanDerWaalsContact C-N 3.26Å; N641-S643 PolarHBondContact O-N 2.75Å; N641-S643 PolarHBondContact OD1-N 3.47Å; N641-S643 PolarHBondContact OD1-OG 3.36Å; N641-F644 HydrophobicContact CB-CB 4.45Å; N641-F644 PolarHBondContact O-N 2.92Å
642M81.9Confident82Confident105 Ų10573.3 Ų73.352%0.51737%0.373SS..THydrogen-bonded Turntrans-71.9-14.6178.9-56.4-58.6-81.400114.2Y568 L569 Q592 L640Y568-M642 HydrophobicContact CD2-CE 4.03Å; Y568-M642 HydrophobicContact CD2-SD 3.44Å; Y568-M642 WeakPolarHBondContact CD2-SD 3.41Å; Y568-M642 HydrophobicContact CE2-SD 3.84Å; Y568-M642 HydrophobicContact CG-SD 4.43Å; L569-M642 VanDerWaalsContact CD2-O 3.27Å; L569-M642 WeakPolarHBondContact CD2-O 3.33Å; Q592-M642 PolarHBondContact NE2-SD 2.97Å; L640-M642 PolarHBondContact O-N 3.23Å; L640-M642 VanDerWaalsContact O-N 3.09Å
643S82.1Confident82.4Confident92 Ų9272.2 Ų72.264%0.64337%0.367SS*.THydrogen-bonded Turntrans-106.116.1-18064.40000113.5N641 T645N641-S643 VanDerWaalsContact C-N 3.26Å; N641-S643 PolarHBondContact O-N 2.75Å; N641-S643 PolarHBondContact OD1-N 3.47Å; N641-S643 PolarHBondContact OD1-OG 3.36Å; S643-T645 PolarHBondContact O-N 2.78Å
644F83.7Confident81.7Confident15 Ų1572.9 Ų72.97%0.06638%0.377CS..  trans-61.3130.4-178.8176.6-99.5000112.2L569 Y573 V620 M622 N641 F651L569-F644 HydrophobicContact CD1-CB 4.02Å; L569-F644 HydrophobicContact CD1-CD1 3.82Å; L569-F644 HydrophobicContact CD1-CG 4.4Å; L569-F644 HydrophobicContact CD2-CB 4.35Å; Y573-F644 AromaticContact CD2-CD1 4Å; Y573-F644 HydrophobicContact CD2-CD1 4Å; Y573-F644 HydrophobicContact CD2-CE1 4.15Å; Y573-F644 HydrophobicContact CE2-CD1 4.11Å; Y573-F644 HydrophobicContact CE2-CE1 4.39Å; Y573-F644 HydrophobicContact CG-CE1 4.23Å; V620-F644 HydrophobicContact CG1-CE2 4.29Å; V620-F644 WeakPolarHBondContact O-CE2 3.43Å; M622-F644 HydrophobicContact CG-CD2 4.33Å; M622-F644 HydrophobicContact CG-CE2 4.17Å; N641-F644 HydrophobicContact CB-CB 4.45Å; N641-F644 PolarHBondContact O-N 2.92Å; F644-F651 AromaticContact CE1-CE1 3.73Å; F644-F651 HydrophobicContact CE1-CE1 3.73Å; F644-F651 AromaticContact CE1-CZ 3.61Å; F644-F651 HydrophobicContact CE1-CZ 3.61Å; F644-F651 AromaticContact CZ-CE1 3.87Å; F644-F651 HydrophobicContact CZ-CE1 3.87Å; F644-F651 HydrophobicContact CZ-CE2 4.19Å; F644-F651 AromaticContact CZ-CZ 3.46Å; F644-F651 HydrophobicContact CZ-CZ 3.46Å; F644-F651 VanDerWaalsContact CZ-CZ 3.46Å
645T80.7Confident81Confident117 Ų11769.8 Ų69.872%0.71836%0.358SS*.  trans-134138174.855.70000110.9S643S643-T645 PolarHBondContact O-N 2.78Å
646S82.3Confident79.7Confident44 Ų4464.9 Ų64.931%0.30834%0.343SS..  trans-134.3148.7177.1177.40000110.5Y573 R648Y573-S646 PolarHBondContact OH-N 3.3Å; S646-R648 PolarHBondContact O-N 2.96Å; S646-R648 PolarHBondContact OG-N 2.93Å; S646-R648 PolarHBondContact OG-O 3.36Å
647K83.7Confident78Confident217 Ų21767.1 Ų67.194%0.94335%0.353SS*.SBendtrans-65.9-22.6174.8-67.9-175.8-179.9-179.90112.6
648R83.5Confident76.4Confident180 Ų18068.8 Ų68.868%0.67936%0.358SS*.  trans-120.3133.3-176.6-57.8-179.979.7-176.93.5110.1S646 K650S646-R648 PolarHBondContact O-N 2.96Å; S646-R648 PolarHBondContact OG-N 2.93Å; S646-R648 PolarHBondContact OG-O 3.36Å; R648-K650 VanDerWaalsContact C-N 3.33Å; R648-K650 PolarHBondContact O-N 3.29Å
649T84.6Confident74.9Confident84 Ų8477 Ų7752%0.51539%0.394SS..SBendtrans-66.9-34176.3-43.70000112.2P572 Y573 V574P572-T649 VanDerWaalsContact O-CG2 3.24Å; P572-T649 WeakPolarHBondContact O-CG2 3.24Å; Y573-T649 CarbonylContact C-O 3.17Å; Y573-T649 WeakPolarHBondContact CA-O 3.2Å; V574-T649 PolarHBondContact N-O 2.93Å
650K85.8Confident73.7Confident103 Ų10377.3 Ų77.345%0.44839%0.393SS..EExtended strand (participates in β ladder)trans-116.2124.3171.4-174.7165.4178.5162.70109.7E563 V574 R648E563-K650 IonicContact OE1-NZ 2.75Å; E563-K650 PolarHBondContact OE1-NZ 2.89Å; E563-K650 IonicContact OE2-NZ 2.73Å; E563-K650 PolarHBondContact OE2-NZ 3.44Å; V574-K650 HydrophobicContact CB-CB 4.38Å; V574-K650 HydrophobicContact CB-CG 4.23Å; V574-K650 HydrophobicContact CG1-CG 4.45Å; V574-K650 VanDerWaalsContact O-CA 3.32Å; V574-K650 WeakPolarHBondContact O-CA 3.34Å; R648-K650 VanDerWaalsContact C-N 3.33Å; R648-K650 PolarHBondContact O-N 3.29Å
651F85.3Confident72.9Confident22 Ų2278.9 Ų78.910%0.09640%0.403CS..EExtended strand (participates in β ladder)trans-141.2159.4-17961.4-89.9000111.6M566 Y573 V574 A575 M576 V620 M622 F644 I653M566-F651 HydrophobicContact CE-CE1 4.47Å; M566-F651 HydrophobicContact CE-CZ 3.82Å; Y573-F651 HydrophobicContact CD1-CE1 4.24Å; Y573-F651 HydrophobicContact CG-CE1 4.37Å; V574-F651 PolarHBondContact O-N 3.05Å; A575-F651 WeakPolarHBondContact CA-O 3.34Å; A575-F651 HydrophobicContact CB-CD2 4.45Å; A575-F651 HydrophobicContact CB-CE2 3.85Å; A575-F651 HydrophobicContact CB-CZ 3.94Å; M576-F651 PolarHBondContact N-O 3.45Å; V620-F651 HydrophobicContact CG1-CE2 4.22Å; M622-F651 HydrophobicContact SD-CE2 4.23Å; M622-F651 HydrophobicContact SD-CZ 4.33Å; F644-F651 AromaticContact CE1-CE1 3.73Å; F644-F651 HydrophobicContact CE1-CE1 3.73Å; F644-F651 AromaticContact CE1-CZ 3.61Å; F644-F651 HydrophobicContact CE1-CZ 3.61Å; F644-F651 AromaticContact CZ-CE1 3.87Å; F644-F651 HydrophobicContact CZ-CE1 3.87Å; F644-F651 HydrophobicContact CZ-CE2 4.19Å; F644-F651 AromaticContact CZ-CZ 3.46Å; F644-F651 HydrophobicContact CZ-CZ 3.46Å; F644-F651 VanDerWaalsContact CZ-CZ 3.46Å; F651-I653 HydrophobicContact CD2-CG1 4.39Å; F651-I653 HydrophobicContact CE2-CG1 4.1Å
652K82.3Confident72.1Confident86 Ų8683.5 Ų83.537%0.37443%0.434SS..EExtended strand (participates in β ladder)trans-109.6126.6177.9-175173.8-174.1-177.70109.5M576 T654M576-K652 HydrophobicContact CB-CB 4.05Å; M576-K652 HydrophobicContact CB-CG 3.96Å; M576-K652 HydrophobicContact CG-CB 4.45Å; K652-T654 PolarHBondContact O-N 3.48Å
653I79.9Confident71.7Confident4 Ų485 Ų852%0.02144%0.44CS..  trans-76.2112.3171.9-56.4-174.1000106.4A575 M576 V577 L617 V620 M622 F651 T655A575-I653 HydrophobicContact CB-CD1 4.35Å; A575-I653 HydrophobicContact CB-CG1 4.47Å; M576-I653 PolarHBondContact O-N 3.35Å; V577-I653 HydrophobicContact CG1-CD1 3.5Å; V577-I653 VanDerWaalsContact CG1-CD1 3.5Å; V577-I653 HydrophobicContact CG1-CG1 4.06Å; L617-I653 HydrophobicContact CD2-CD1 3.65Å; V620-I653 HydrophobicContact CG2-CG2 4.03Å; M622-I653 HydrophobicContact CE-CD1 4.3Å; M622-I653 HydrophobicContact SD-CD1 3.32Å; M622-I653 WeakPolarHBondContact SD-CD1 3.39Å; M622-I653 HydrophobicContact SD-CG1 4.34Å; F651-I653 HydrophobicContact CD2-CG1 4.39Å; F651-I653 HydrophobicContact CE2-CG1 4.1Å; I653-T655 PolarHBondContact O-N 3.34Å
654T60.6Low71.2Confident100 Ų10083.1 Ų83.161%0.61342%0.421SS*.  trans-83.999.9-176.2-40.30000107.6K652K652-T654 PolarHBondContact O-N 3.48Å
655T55.1Low70.8Confident13 Ų1384.3 Ų84.38%0.0843%0.427CS..  trans-68.8142.3173.318.60000110.8T578 I653 M657 Q658T578-T655 HydrophobicContact CG2-CG2 4.21Å; I653-T655 PolarHBondContact O-N 3.34Å; T655-M657 PolarHBondContact O-N 3.4Å; T655-Q658 PolarHBondContact O-N 3.32Å
656S46.4Very low70.8Confident68 Ų6885 Ų8548%0.47642%0.422SS..G310 helixtrans-56.1-11.8167.148.30000113.7K612 Q658 K659K612-S656 WeakPolarHBondContact CE-OG 3.38Å; S656-Q658 PolarHBondContact O-N 3.07Å; S656-K659 PolarHBondContact O-N 2.9Å
657M47.2Very low70.7Confident57 Ų5787.6 Ų87.628%0.28143%0.429SS..G310 helixtrans-66.6-15.6173.4-66-176.570.300114.9Y558 T655Y558-M657 HydrophobicContact CD2-CE 4.4Å; T655-M657 PolarHBondContact O-N 3.4Å
658Q52.4Low70.5Confident70 Ų7078.2 Ų78.233%0.32739%0.39SS..G310 helixtrans-81.6-17.2179.2-71.4176.217.400113.4T655 S656T655-Q658 PolarHBondContact O-N 3.32Å; S656-Q658 PolarHBondContact O-N 3.07Å
659K56.7Low70.4Confident173 Ų17371.6 Ų71.675%0.75237%0.365SS*.SBendtrans-92.2125.7173.3-68.2-174.3178.7-1780108.8S656 T661S656-K659 PolarHBondContact O-N 2.9Å; K659-T661 PolarHBondContact O-N 3.07Å; K659-T661 VanDerWaalsContact O-N 3.17Å
660D61.3Low70.4Confident40 Ų4070.9 Ų70.921%0.21436%0.364CS..PPolyproline II helixtrans-58.3120.6172.3-75.6-51.2000109.1R437 K441 E664 M665R437-D660 IonicContact CZ-OD1 2.78Å; R437-D660 IonicContact NE-OD1 3.36Å; R437-D660 PolarHBondContact NE-OD1 3.01Å; R437-D660 IonicContact NH2-OD1 3.68Å; R437-D660 PolarHBondContact NH2-OD1 3.35Å; K441-D660 IonicContact NZ-OD1 3.77Å; K441-D660 PolarHBondContact NZ-OD1 3.27Å; K441-D660 IonicContact NZ-OD2 2.71Å; D660-E664 WeakPolarHBondContact CA-OE2 3.43Å; D660-M665 HydrophobicContact CB-CE 3.93Å; D660-M665 HydrophobicContact CB-CG 4.36Å
661T68.6Low70.3Confident52 Ų5267.7 Ų67.732%0.31936%0.356SS..PPolyproline II helixtrans-72.4152.5174.454.50000109.8K659 Q663 E664 M665K659-T661 PolarHBondContact O-N 3.07Å; K659-T661 VanDerWaalsContact O-N 3.17Å; T661-Q663 PolarHBondContact O-N 3.42Å; T661-Q663 VanDerWaalsContact O-N 3.11Å; T661-E664 PolarHBondContact N-OE2 3.44Å; T661-E664 PolarHBondContact O-N 3.04Å; T661-E664 VanDerWaalsContact OG1-CG 3.26Å; T661-E664 WeakPolarHBondContact OG1-CG 3.3Å; T661-E664 PolarHBondContact OG1-N 3.09Å; T661-E664 PolarHBondContact OG1-OE2 3.11Å; T661-M665 PolarHBondContact O-N 3Å; T661-M665 VanDerWaalsContact O-N 3.17Å
662P71.3Confident70.3Confident112 Ų11266.8 Ų66.873%0.72735%0.353SS*.Hα-helixtrans-52.8-35.2174.7-24.532.9000112.2M665 E666P662-M665 WeakPolarHBondContact O-CB 3.44Å; P662-M665 PolarHBondContact O-N 3Å; P662-E666 PolarHBondContact O-N 3.49Å
663Q72.1Confident70.5Confident137 Ų13766.8 Ų66.864%0.6436%0.357SS*.Hα-helixtrans-64.3-40.5176.7-169.5174.76.300113T661 M665 E666 Q667T661-Q663 PolarHBondContact O-N 3.42Å; T661-Q663 VanDerWaalsContact O-N 3.11Å; Q663-M665 VanDerWaalsContact C-N 3.33Å; Q663-E666 PolarHBondContact O-N 3.38Å; Q663-Q667 VanDerWaalsContact O-CG 3.29Å; Q663-Q667 WeakPolarHBondContact O-CG 3.44Å; Q663-Q667 PolarHBondContact O-N 3.06Å
664E71.7Confident70.8Confident51 Ų5172.9 Ų72.924%0.23839%0.385CS..Hα-helixtrans-68.8-32.5176-74173.4126.400112.4R437 D660 T661 T668R437-E664 IonicContact CZ-OE1 2.72Å; R437-E664 IonicContact NH1-OE1 3.64Å; R437-E664 IonicContact NH2-OE1 2.68Å; R437-E664 PolarHBondContact NH2-OE1 3.06Å; R437-E664 IonicContact NH2-OE2 3.51Å; R437-E664 PolarHBondContact NH2-OE2 2.88Å; R437-E664 VanDerWaalsContact NH2-OE2 3.16Å; D660-E664 WeakPolarHBondContact CA-OE2 3.43Å; T661-E664 PolarHBondContact N-OE2 3.44Å; T661-E664 PolarHBondContact O-N 3.04Å; T661-E664 VanDerWaalsContact OG1-CG 3.26Å; T661-E664 WeakPolarHBondContact OG1-CG 3.3Å; T661-E664 PolarHBondContact OG1-N 3.09Å; T661-E664 PolarHBondContact OG1-OE2 3.11Å; E664-T668 WeakPolarHBondContact O-CB 3.46Å; E664-T668 PolarHBondContact O-N 3.36Å; E664-T668 PolarHBondContact O-OG1 3.29Å
665M76.4Confident72Confident41 Ų4171.8 Ų71.820%0.20238%0.376CS..Hα-helixtrans-65.8-44173.7-66.3-176.3164.500111.3K393 F434 D660 T661 P662 Q663 T668 R669K393-M665 VanDerWaalsContact NZ-CE 3.31Å; F434-M665 HydrophobicContact CE1-CB 4.44Å; F434-M665 HydrophobicContact CE1-CG 4.32Å; D660-M665 HydrophobicContact CB-CE 3.93Å; D660-M665 HydrophobicContact CB-CG 4.36Å; T661-M665 PolarHBondContact O-N 3Å; T661-M665 VanDerWaalsContact O-N 3.17Å; P662-M665 WeakPolarHBondContact O-CB 3.44Å; P662-M665 PolarHBondContact O-N 3Å; Q663-M665 VanDerWaalsContact C-N 3.33Å; M665-T668 PolarHBondContact O-N 3.37Å; M665-R669 WeakPolarHBondContact O-CG 3.48Å; M665-R669 PolarHBondContact O-N 3.39Å; M665-R669 VanDerWaalsContact O-N 3.08Å
666E79.9Confident73.7Confident130 Ų13072.5 Ų72.561%0.60738%0.377SS*.Hα-helixtrans-60.9-46.4175.3-162.576.4-146.200111.2P662 Q663 T668 R669 S670P662-E666 PolarHBondContact O-N 3.49Å; Q663-E666 PolarHBondContact O-N 3.38Å; E666-T668 VanDerWaalsContact C-N 3.33Å; E666-T668 PolarHBondContact O-N 2.95Å; E666-R669 WeakPolarHBondContact O-CB 3.3Å; E666-R669 PolarHBondContact O-N 3.42Å; E666-R669 VanDerWaalsContact O-N 3.17Å; E666-S670 PolarHBondContact O-N 3.35Å
667Q79.8Confident75.8Confident99 Ų9973.6 Ų73.646%0.46337%0.373SS..Hα-helixtrans-60.4-42.2176.5-74.4174.20.400112.1Q663 R669 S670 A671Q663-Q667 VanDerWaalsContact O-CG 3.29Å; Q663-Q667 WeakPolarHBondContact O-CG 3.44Å; Q663-Q667 PolarHBondContact O-N 3.06Å; Q667-R669 VanDerWaalsContact C-N 3.27Å; Q667-R669 PolarHBondContact O-N 3.37Å; Q667-S670 PolarHBondContact O-N 2.87Å; Q667-A671 WeakPolarHBondContact O-CB 3.32Å; Q667-A671 PolarHBondContact O-N 2.95Å
668T79.6Confident77.8Confident20 Ų2075.7 Ų75.712%0.12338%0.383CS..Hα-helixtrans-61.2-40177.5-570000110.7K433 F434 E664 M665 E666 V672K433-T668 HydrophobicContact CB-CG2 4.13Å; F434-T668 HydrophobicContact CD1-CG2 4.12Å; F434-T668 HydrophobicContact CD2-CG2 4.3Å; F434-T668 HydrophobicContact CE1-CG2 3.98Å; F434-T668 HydrophobicContact CE2-CG2 4.15Å; F434-T668 HydrophobicContact CG-CG2 4.28Å; F434-T668 HydrophobicContact CZ-CG2 3.99Å; E664-T668 WeakPolarHBondContact O-CB 3.46Å; E664-T668 PolarHBondContact O-N 3.36Å; E664-T668 PolarHBondContact O-OG1 3.29Å; M665-T668 PolarHBondContact O-N 3.37Å; E666-T668 VanDerWaalsContact C-N 3.33Å; E666-T668 PolarHBondContact O-N 2.95Å; T668-V672 WeakPolarHBondContact O-CG2 3.35Å; T668-V672 PolarHBondContact O-N 3.37Å
669R81.9Confident79.7Confident42 Ų4274.7 Ų74.716%0.15838%0.377CS..Hα-helixtrans-69.1-45.6177-70.5172.3175.3-145.2-4.6112.1E389 F434 M665 E666 Q667 A671 V672 D673E389-R669 IonicContact OE2-CZ 3.8Å; E389-R669 IonicContact OE2-NE 3.16Å; E389-R669 IonicContact OE2-NH2 3.06Å; E389-R669 PolarHBondContact OE2-NH2 2.88Å; F434-R669 HydrophobicContact CE2-CG 4.12Å; F434-R669 HydrophobicContact CZ-CG 4.06Å; M665-R669 WeakPolarHBondContact O-CG 3.48Å; M665-R669 PolarHBondContact O-N 3.39Å; M665-R669 VanDerWaalsContact O-N 3.08Å; E666-R669 WeakPolarHBondContact O-CB 3.3Å; E666-R669 PolarHBondContact O-N 3.42Å; E666-R669 VanDerWaalsContact O-N 3.17Å; Q667-R669 VanDerWaalsContact C-N 3.27Å; Q667-R669 PolarHBondContact O-N 3.37Å; R669-A671 VanDerWaalsContact C-N 3.26Å; R669-A671 PolarHBondContact O-N 2.74Å; R669-V672 WeakPolarHBondContact O-CA 3.49Å; R669-V672 WeakPolarHBondContact O-CB 3.4Å; R669-V672 PolarHBondContact O-N 2.99Å; R669-D673 PolarHBondContact O-N 3.04Å; R669-D673 VanDerWaalsContact O-N 3.14Å
670S84.5Confident81.4Confident68 Ų6866.5 Ų66.548%0.47634%0.341SS..Hα-helixtrans-58.3-40176.4-177.70000111.7E666 Q667 V672 D673 E674E666-S670 PolarHBondContact O-N 3.35Å; Q667-S670 PolarHBondContact O-N 2.87Å; S670-V672 VanDerWaalsContact C-N 3.31Å; S670-V672 PolarHBondContact O-N 3.04Å; S670-D673 PolarHBondContact O-N 3.47Å; S670-E674 PolarHBondContact O-N 3.37Å; S670-E674 VanDerWaalsContact O-N 3.16Å
671A83.5Confident83Confident36 Ų3665.1 Ų65.130%0.29833%0.334SS..Hα-helixtrans-65.5-31.9175.300000113.1Q667 R669 D675Q667-A671 WeakPolarHBondContact O-CB 3.32Å; Q667-A671 PolarHBondContact O-N 2.95Å; R669-A671 VanDerWaalsContact C-N 3.26Å; R669-A671 PolarHBondContact O-N 2.74Å; A671-D675 WeakPolarHBondContact O-CB 3.4Å; A671-D675 PolarHBondContact O-N 2.86Å; A671-D675 VanDerWaalsContact O-N 3.08Å
672V86.3Confident84.1Confident3 Ų365.1 Ų65.12%0.01834%0.339CS..Hα-helixtrans-64.7-43.9173.1175.20000110.4I430 K433 T668 R669 S670 E674 D675 R676I430-V672 HydrophobicContact CG1-CG1 3.93Å; K433-V672 HydrophobicContact CB-CG2 3.88Å; K433-V672 HydrophobicContact CG-CG2 3.68Å; T668-V672 WeakPolarHBondContact O-CG2 3.35Å; T668-V672 PolarHBondContact O-N 3.37Å; R669-V672 WeakPolarHBondContact O-CA 3.49Å; R669-V672 WeakPolarHBondContact O-CB 3.4Å; R669-V672 PolarHBondContact O-N 2.99Å; S670-V672 VanDerWaalsContact C-N 3.31Å; S670-V672 PolarHBondContact O-N 3.04Å; V672-E674 VanDerWaalsContact C-N 3.33Å; V672-E674 PolarHBondContact O-N 2.93Å; V672-D675 PolarHBondContact O-N 3.2Å; V672-R676 HydrophobicContact CG1-CG 4.23Å; V672-R676 WeakPolarHBondContact O-CB 3.45Å; V672-R676 VanDerWaalsContact O-CG 3.29Å; V672-R676 WeakPolarHBondContact O-CG 3.38Å; V672-R676 PolarHBondContact O-N 3.45Å
673D84.5Confident85.1Confident87 Ų8759.8 Ų59.847%0.46530%0.304SS..Hα-helixtrans-65-37-179.1-73.2-28.1000112.5R669 S670 R676 K677 M717R669-D673 PolarHBondContact O-N 3.04Å; R669-D673 VanDerWaalsContact O-N 3.14Å; S670-D673 PolarHBondContact O-N 3.47Å; D673-R676 PolarHBondContact O-N 3.4Å; D673-K677 PolarHBondContact O-N 3.41Å; D673-K677 VanDerWaalsContact O-N 3.07Å; D673-M717 WeakPolarHBondContact O-CE 3.46Å
674E86.3Confident86.2Confident132 Ų13253.2 Ų53.262%0.61727%0.273SS*.Hα-helixtrans-65.1-44.9172.3-67.5-166.8146.400112.1S670 V672 R676 K677 M678S670-E674 PolarHBondContact O-N 3.37Å; S670-E674 VanDerWaalsContact O-N 3.16Å; V672-E674 VanDerWaalsContact C-N 3.33Å; V672-E674 PolarHBondContact O-N 2.93Å; E674-R676 VanDerWaalsContact C-N 3.33Å; E674-R676 PolarHBondContact O-N 3.42Å; E674-K677 WeakPolarHBondContact O-CB 3.24Å; E674-K677 PolarHBondContact O-N 2.89Å; E674-K677 VanDerWaalsContact O-N 3.14Å; E674-M678 PolarHBondContact O-N 3.2Å
675D86.6Confident87.3Confident76 Ų7652.1 Ų52.141%0.40627%0.27SS..Hα-helixtrans-61-41.5176.1-88.36.2000111.7K433 A671 V672 K677 M678 Y679K433-D675 WeakPolarHBondContact CE-OD2 3.38Å; K433-D675 IonicContact NZ-OD2 3.87Å; K433-D675 PolarHBondContact NZ-OD2 3.38Å; A671-D675 WeakPolarHBondContact O-CB 3.4Å; A671-D675 PolarHBondContact O-N 2.86Å; A671-D675 VanDerWaalsContact O-N 3.08Å; V672-D675 PolarHBondContact O-N 3.2Å; D675-K677 VanDerWaalsContact C-N 3.31Å; D675-K677 PolarHBondContact O-N 3.44Å; D675-M678 PolarHBondContact O-N 2.86Å; D675-Y679 VanDerWaalsContact O-CB 3.3Å; D675-Y679 WeakPolarHBondContact O-CB 3.48Å; D675-Y679 PolarHBondContact O-N 3.42Å
676R90.6Very high88.1Confident29 Ų2956.3 Ų56.311%0.10928%0.283CS..Hα-helixtrans-59.1-43174.3-75.6172.9174.2-165.9-10.4110.9D427 D429 V672 D673 E674 Y679 L680 F711 M717D427-R676 IonicContact OD1-CZ 2.86Å; D427-R676 IonicContact OD1-NH1 3.71Å; D427-R676 IonicContact OD1-NH2 3.67Å; D427-R676 PolarHBondContact OD1-NH2 3.31Å; D429-R676 IonicContact OD1-CZ 2.69Å; D429-R676 IonicContact OD1-NE 3.38Å; D429-R676 IonicContact OD1-NH2 3.64Å; D429-R676 PolarHBondContact OD1-NH2 3.34Å; D429-R676 WeakPolarHBondContact OD2-CG 3.21Å; D429-R676 IonicContact OD2-CZ 2.62Å; D429-R676 IonicContact OD2-NE 3.93Å; D429-R676 PolarHBondContact OD2-NE 3.42Å; D429-R676 IonicContact OD2-NH2 3.48Å; D429-R676 PolarHBondContact OD2-NH2 2.84Å; V672-R676 HydrophobicContact CG1-CG 4.23Å; V672-R676 WeakPolarHBondContact O-CB 3.45Å; V672-R676 VanDerWaalsContact O-CG 3.29Å; V672-R676 WeakPolarHBondContact O-CG 3.38Å; V672-R676 PolarHBondContact O-N 3.45Å; D673-R676 PolarHBondContact O-N 3.4Å; E674-R676 VanDerWaalsContact C-N 3.33Å; E674-R676 PolarHBondContact O-N 3.42Å; R676-Y679 PolarHBondContact O-N 3Å; R676-L680 WeakPolarHBondContact O-CB 3.19Å; R676-L680 VanDerWaalsContact O-CG 3.23Å; R676-L680 WeakPolarHBondContact O-CG 3.42Å; R676-L680 PolarHBondContact O-N 2.9Å; R676-F711 HydrophobicContact CB-CE1 4.5Å; R676-F711 HydrophobicContact CB-CE2 4.07Å; R676-F711 HydrophobicContact CB-CZ 3.91Å; R676-F711 HydrophobicContact CG-CD1 4.23Å; R676-F711 HydrophobicContact CG-CD2 4.07Å; R676-F711 HydrophobicContact CG-CE1 3.98Å; R676-F711 HydrophobicContact CG-CE2 3.77Å; R676-F711 HydrophobicContact CG-CG 4.29Å; R676-F711 HydrophobicContact CG-CZ 3.74Å; R676-M717 HydrophobicContact CB-CE 3.57Å; R676-M717 HydrophobicContact CB-SD 4.28Å
677K90.3Very high88.8Confident90 Ų9050.6 Ų50.639%0.39126%0.257SS..Hα-helixtrans-62.4-47.7178.1-175.2-177177.8-177.10111D673 E674 D675 L680 Q681 M717D673-K677 PolarHBondContact O-N 3.41Å; D673-K677 VanDerWaalsContact O-N 3.07Å; E674-K677 WeakPolarHBondContact O-CB 3.24Å; E674-K677 PolarHBondContact O-N 2.89Å; E674-K677 VanDerWaalsContact O-N 3.14Å; D675-K677 VanDerWaalsContact C-N 3.31Å; D675-K677 PolarHBondContact O-N 3.44Å; K677-L680 PolarHBondContact O-N 3.33Å; K677-Q681 VanDerWaalsContact O-CG 3.32Å; K677-Q681 WeakPolarHBondContact O-CG 3.25Å; K677-Q681 PolarHBondContact O-N 2.92Å; K677-M717 HydrophobicContact CB-CE 3.82Å; K677-M717 VanDerWaalsContact N-CE 3.32Å
678M90.7Very high89.5Confident101 Ų10145.9 Ų45.950%0.49824%0.235SC..Hα-helixtrans-63.6-42.4177.9-67-62.6104.700111.8E674 D675 Q681 A682E674-M678 PolarHBondContact O-N 3.2Å; D675-M678 PolarHBondContact O-N 2.86Å; M678-Q681 PolarHBondContact O-N 2.85Å; M678-A682 PolarHBondContact O-N 2.83Å
679Y91.1Very high90.2Very high50 Ų5050.8 Ų50.820%0.19626%0.255CS..Hα-helixtrans-61.3-48176.9-177.1-90.2000111.9D675 R676 Q681 A682 A683 F711D675-Y679 VanDerWaalsContact O-CB 3.3Å; D675-Y679 WeakPolarHBondContact O-CB 3.48Å; D675-Y679 PolarHBondContact O-N 3.42Å; R676-Y679 PolarHBondContact O-N 3Å; Y679-Q681 VanDerWaalsContact C-N 3.35Å; Y679-Q681 PolarHBondContact O-N 3.18Å; Y679-A682 PolarHBondContact O-N 3.46Å; Y679-A683 VanDerWaalsContact O-CB 3.31Å; Y679-A683 WeakPolarHBondContact O-CB 3.38Å; Y679-A683 PolarHBondContact O-N 3.29Å; Y679-F711 AromaticContact CD1-CE1 3.84Å; Y679-F711 HydrophobicContact CD1-CE1 3.84Å; Y679-F711 HydrophobicContact CD1-CZ 4.2Å; Y679-F711 HydrophobicContact CE1-CE1 4.33Å; Y679-F711 HydrophobicContact CG-CE1 4.46Å
680L93.6Very high90.8Very high0 Ų052.7 Ų52.70%028%0.28CS..Hα-helixtrans-62.7-41.3178.3-70.7173.8000111.7R676 K677 A683 I684 V703 F711 P713 M717 I718 C721R676-L680 WeakPolarHBondContact O-CB 3.19Å; R676-L680 VanDerWaalsContact O-CG 3.23Å; R676-L680 WeakPolarHBondContact O-CG 3.42Å; R676-L680 PolarHBondContact O-N 2.9Å; K677-L680 PolarHBondContact O-N 3.33Å; L680-A683 PolarHBondContact O-N 3.32Å; L680-I684 WeakPolarHBondContact O-CB 3.12Å; L680-I684 WeakPolarHBondContact O-CD1 3.44Å; L680-I684 WeakPolarHBondContact O-CG1 3.49Å; L680-I684 PolarHBondContact O-N 3.41Å; L680-V703 HydrophobicContact CD2-CG1 3.63Å; L680-F711 HydrophobicContact CD1-CE2 4.38Å; L680-F711 HydrophobicContact CD1-CZ 4.37Å; L680-F711 HydrophobicContact CD2-CE2 4.43Å; L680-F711 HydrophobicContact CD2-CZ 4.02Å; L680-F711 HydrophobicContact CG-CE2 4.46Å; L680-F711 HydrophobicContact CG-CZ 3.99Å; L680-P713 HydrophobicContact CD1-CB 4.15Å; L680-P713 HydrophobicContact CD2-CB 3.91Å; L680-P713 HydrophobicContact CD2-CG 4.35Å; L680-M717 HydrophobicContact CD1-CB 4.45Å; L680-M717 HydrophobicContact CD1-CE 4.33Å; L680-M717 HydrophobicContact CD1-CG 3.79Å; L680-M717 HydrophobicContact CD1-SD 3.92Å; L680-I718 HydrophobicContact CD1-CG1 4.42Å; L680-C721 HydrophobicContact CB-CB 4.43Å
681Q93.4Very high91.2Very high12 Ų1256.4 Ų56.46%0.05628%0.283CS..Hα-helixtrans-59.5-48.8175.2-74.8-178.413.200111.5K677 M678 Y679 A683 I684 V685 C721 V724 L725K677-Q681 VanDerWaalsContact O-CG 3.32Å; K677-Q681 WeakPolarHBondContact O-CG 3.25Å; K677-Q681 PolarHBondContact O-N 2.92Å; M678-Q681 PolarHBondContact O-N 2.85Å; Y679-Q681 VanDerWaalsContact C-N 3.35Å; Y679-Q681 PolarHBondContact O-N 3.18Å; Q681-A683 PolarHBondContact O-N 2.92Å; Q681-I684 PolarHBondContact O-N 3.48Å; Q681-V685 WeakPolarHBondContact O-CG2 3.13Å; Q681-V685 PolarHBondContact O-N 3.45Å; Q681-C721 HydrophobicContact CG-CB 4.05Å; Q681-V724 VanDerWaalsContact NE2-CG1 3.31Å; Q681-L725 HydrophobicContact CB-CD1 4.46Å; Q681-L725 HydrophobicContact CB-CD2 4.17Å; Q681-L725 HydrophobicContact CB-CG 4.47Å; Q681-L725 HydrophobicContact CG-CD2 4.31Å; Q681-L725 HydrophobicContact CG-CG 4.26Å
682A92.3Very high91.6Very high51 Ų5159.9 Ų59.942%0.42129%0.292SS..Hα-helixtrans-64.1-38.4177.600000112.7M678 Y679 R686M678-A682 PolarHBondContact O-N 2.83Å; Y679-A682 PolarHBondContact O-N 3.46Å; A682-R686 WeakPolarHBondContact O-CG 3.42Å; A682-R686 PolarHBondContact O-N 2.81Å
683A93Very high91.9Very high0 Ų063.1 Ų63.10%031%0.311CS..Hα-helixtrans-61.4-50.6175.300000111.7Y679 L680 Q681 V685 R686 I687 Q706Y679-A683 VanDerWaalsContact O-CB 3.31Å; Y679-A683 WeakPolarHBondContact O-CB 3.38Å; Y679-A683 PolarHBondContact O-N 3.29Å; L680-A683 PolarHBondContact O-N 3.32Å; Q681-A683 PolarHBondContact O-N 2.92Å; A683-V685 VanDerWaalsContact C-N 3.35Å; A683-V685 PolarHBondContact O-N 3.37Å; A683-R686 PolarHBondContact O-N 2.71Å; A683-I687 WeakPolarHBondContact O-CG1 3.29Å; A683-I687 PolarHBondContact O-N 3.1Å; A683-Q706 VanDerWaalsContact CB-OE1 3.27Å
684I94.4Very high92.3Very high0 Ų060.2 Ų60.20%030%0.295CS..Hα-helixtrans-58.1-47.4177.7-67.3160.7000110.4L680 Q681 R686 I687 M688 L699 V703 I718 C721 I722 L725 I731L680-I684 WeakPolarHBondContact O-CB 3.12Å; L680-I684 WeakPolarHBondContact O-CD1 3.44Å; L680-I684 WeakPolarHBondContact O-CG1 3.49Å; L680-I684 PolarHBondContact O-N 3.41Å; Q681-I684 PolarHBondContact O-N 3.48Å; I684-R686 VanDerWaalsContact C-N 3.35Å; I684-R686 PolarHBondContact O-N 3.39Å; I684-I687 PolarHBondContact O-N 3.3Å; I684-M688 HydrophobicContact CG2-CG 4.15Å; I684-M688 VanDerWaalsContact O-CB 3.3Å; I684-M688 WeakPolarHBondContact O-CB 3.34Å; I684-M688 WeakPolarHBondContact O-CG 3.3Å; I684-M688 PolarHBondContact O-N 2.89Å; I684-L699 HydrophobicContact CG2-CD1 4.44Å; I684-L699 HydrophobicContact CG2-CD2 4.35Å; I684-V703 HydrophobicContact CG1-CG2 3.67Å; I684-I718 HydrophobicContact CD1-CG2 4.45Å; I684-C721 HydrophobicContact CD1-CB 3.75Å; I684-I722 HydrophobicContact CD1-CG1 4.05Å; I684-L725 HydrophobicContact CB-CD1 3.59Å; I684-L725 HydrophobicContact CD1-CD1 4.11Å; I684-L725 HydrophobicContact CG1-CD1 4.47Å; I684-L725 HydrophobicContact CG2-CD1 3.42Å; I684-L725 VanDerWaalsContact CG2-CD1 3.42Å; I684-I731 HydrophobicContact CG2-CD1 4.36Å
685V94.6Very high92.7Very high27 Ų2762.2 Ų62.216%0.16430%0.297CS..Hα-helixtrans-60.1-43.2178.5172.30000111.5Q681 A683 K689 L725 Y730 Y743Q681-V685 WeakPolarHBondContact O-CG2 3.13Å; Q681-V685 PolarHBondContact O-N 3.45Å; A683-V685 VanDerWaalsContact C-N 3.35Å; A683-V685 PolarHBondContact O-N 3.37Å; V685-K689 WeakPolarHBondContact O-CB 3.3Å; V685-K689 PolarHBondContact O-N 3.36Å; V685-L725 HydrophobicContact CG2-CD1 3.97Å; V685-L725 HydrophobicContact CG2-CD2 3.62Å; V685-L725 HydrophobicContact CG2-CG 4.42Å; V685-Y730 HydrophobicContact CG1-CD1 4.29Å; V685-Y730 HydrophobicContact CG2-CD1 4.23Å; V685-Y730 HydrophobicContact CG2-CG 4.05Å; V685-Y743 HydrophobicContact CG1-CE2 4.39Å
686R93.7Very high92.9Very high129 Ų12959.7 Ų59.749%0.48728%0.283SS..Hα-helixtrans-63-44.9177-74.5-172.6-59.5-175.13.2112.5A682 A683 I684 A690A682-R686 WeakPolarHBondContact O-CG 3.42Å; A682-R686 PolarHBondContact O-N 2.81Å; A683-R686 PolarHBondContact O-N 2.71Å; I684-R686 VanDerWaalsContact C-N 3.35Å; I684-R686 PolarHBondContact O-N 3.39Å; R686-A690 PolarHBondContact O-N 3.44Å
687I94.3Very high93Very high11 Ų1164.1 Ų64.16%0.05631%0.309CS..Hα-helixtrans-62.8-50.2178.5-68.4164.8000109.9A683 I684 K689 A690 R691 L694 L699 E702 V703A683-I687 WeakPolarHBondContact O-CG1 3.29Å; A683-I687 PolarHBondContact O-N 3.1Å; I684-I687 PolarHBondContact O-N 3.3Å; I687-K689 PolarHBondContact O-N 2.88Å; I687-A690 PolarHBondContact O-N 3.39Å; I687-A690 VanDerWaalsContact O-N 3.16Å; I687-R691 HydrophobicContact CG2-CG 4.29Å; I687-R691 WeakPolarHBondContact O-CG 3.34Å; I687-R691 PolarHBondContact O-N 3.46Å; I687-L694 HydrophobicContact CG2-CD2 3.91Å; I687-L699 HydrophobicContact CB-CD1 4.37Å; I687-L699 HydrophobicContact CG2-CD1 3.83Å; I687-E702 HydrophobicContact CD1-CB 4.26Å; I687-E702 HydrophobicContact CD1-CG 4.07Å; I687-E702 HydrophobicContact CG1-CG 4.33Å; I687-E702 HydrophobicContact CG2-CB 4.49Å; I687-E702 HydrophobicContact CG2-CG 4.2Å; I687-E702 WeakPolarHBondContact CG2-OE2 3.45Å; I687-V703 HydrophobicContact CD1-CB 4.45Å; I687-V703 HydrophobicContact CD1-CG2 3.69Å
688M94.4Very high93.2Very high0 Ų062 Ų620%031%0.308CS..Hα-helixtrans-65.2-38.4-178.7-73.2-63.9-58.500112.3I684 A690 K692 L694 L699 I731 Y741 Y743I684-M688 HydrophobicContact CG2-CG 4.15Å; I684-M688 VanDerWaalsContact O-CB 3.3Å; I684-M688 WeakPolarHBondContact O-CB 3.34Å; I684-M688 WeakPolarHBondContact O-CG 3.3Å; I684-M688 PolarHBondContact O-N 2.89Å; M688-A690 VanDerWaalsContact C-N 3.27Å; M688-A690 PolarHBondContact O-N 2.81Å; M688-K692 VanDerWaalsContact O-CA 3.25Å; M688-K692 WeakPolarHBondContact O-CA 3.36Å; M688-K692 PolarHBondContact O-N 3.05Å; M688-L694 HydrophobicContact SD-CB 3.91Å; M688-L699 HydrophobicContact CG-CD1 4.14Å; M688-L699 HydrophobicContact CG-CD2 4.49Å; M688-L699 HydrophobicContact SD-CD1 4.14Å; M688-L699 HydrophobicContact SD-CD2 4.21Å; M688-I731 HydrophobicContact CB-CG2 3.86Å; M688-I731 HydrophobicContact CE-CG2 4.09Å; M688-I731 HydrophobicContact CG-CG2 3.85Å; M688-Y741 WeakPolarHBondContact CE-O 3.38Å; M688-Y743 HydrophobicContact CB-CD2 3.96Å; M688-Y743 HydrophobicContact CB-CG 4.46Å; M688-Y743 WeakPolarHBondContact O-CB 3.5Å
689K94.3Very high93.3Very high123 Ų12357.2 Ų57.254%0.53529%0.285SS..Hα-helixtrans-60.6-36.6174.2-176.7172.1-177.9172.80112.5V685 I687 K692 Y743V685-K689 WeakPolarHBondContact O-CB 3.3Å; V685-K689 PolarHBondContact O-N 3.36Å; I687-K689 PolarHBondContact O-N 2.88Å; K689-K692 WeakPolarHBondContact O-CD 3.26Å; K689-K692 WeakPolarHBondContact O-CE 3.22Å; K689-K692 PolarHBondContact O-NZ 2.69Å; K689-Y743 HydrophobicContact CB-CD2 4.29Å; K689-Y743 HydrophobicContact CB-CE1 4.07Å; K689-Y743 HydrophobicContact CB-CE2 3.86Å; K689-Y743 HydrophobicContact CG-CE1 3.93Å; K689-Y743 HydrophobicContact CG-CE2 4.45Å
690A93.8Very high93.4Very high82 Ų8255.2 Ų55.268%0.67828%0.277SS*.Hα-helixtrans-79-44.1179.900000112.8R686 I687 M688R686-A690 PolarHBondContact O-N 3.44Å; I687-A690 PolarHBondContact O-N 3.39Å; I687-A690 VanDerWaalsContact O-N 3.16Å; M688-A690 VanDerWaalsContact C-N 3.27Å; M688-A690 PolarHBondContact O-N 2.81Å
691R92.8Very high93.4Very high146 Ų14660.5 Ų60.555%0.55130%0.302SS*.Hα-helixtrans-84.5-23.2-176.3-61.9-64.2-171.6176.2-1.1113.8I687 V693 L694 E702I687-R691 HydrophobicContact CG2-CG 4.29Å; I687-R691 WeakPolarHBondContact O-CG 3.34Å; I687-R691 PolarHBondContact O-N 3.46Å; R691-V693 PolarHBondContact O-N 2.95Å; R691-L694 HydrophobicContact CB-CD1 4.36Å; R691-L694 HydrophobicContact CG-CD1 4.32Å; R691-L694 HydrophobicContact CG-CD2 4.43Å; R691-E702 IonicContact CZ-OE1 3.5Å; R691-E702 IonicContact NE-OE1 3.24Å; R691-E702 PolarHBondContact NE-OE1 3.33Å; R691-E702 IonicContact NE-OE2 3.62Å; R691-E702 IonicContact NH2-OE1 2.61Å; R691-E702 PolarHBondContact NH2-OE1 3.49Å
692K92.3Very high93.4Very high109 Ų10962.6 Ų62.647%0.47431%0.312SS..SBendtrans63.7-45.9-174.2-57-60.2-173.9-1780115.2M688 K689 S742 Y743M688-K692 VanDerWaalsContact O-CA 3.25Å; M688-K692 WeakPolarHBondContact O-CA 3.36Å; M688-K692 PolarHBondContact O-N 3.05Å; K689-K692 WeakPolarHBondContact O-CD 3.26Å; K689-K692 WeakPolarHBondContact O-CE 3.22Å; K689-K692 PolarHBondContact O-NZ 2.69Å; K692-S742 CarbonylContact O-C 3.59Å; K692-S742 WeakPolarHBondContact O-CA 3.25Å; K692-Y743 HydrophobicContact CD-CD1 4.12Å; K692-Y743 PolarHBondContact O-N 3.48Å
693V92.3Very high93.4Very high70 Ų7060.1 Ų60.142%0.42429%0.292SS..EExtended strand (participates in β ladder)trans-133.3131.7176.7-177.80000108.7R691 E740 Y741R691-V693 PolarHBondContact O-N 2.95Å; V693-E740 HydrophobicContact CG1-CG 3.58Å; V693-Y741 WeakPolarHBondContact CA-O 3.42Å
694L93.6Very high93.4Very high27 Ų2761.5 Ų61.514%0.14130%0.298CS..EExtended strand (participates in β ladder)trans-150.6140.8179.8-156.766.2000111.8I687 M688 R691 A698 L699 Y741I687-L694 HydrophobicContact CG2-CD2 3.91Å; M688-L694 HydrophobicContact SD-CB 3.91Å; R691-L694 HydrophobicContact CB-CD1 4.36Å; R691-L694 HydrophobicContact CG-CD1 4.32Å; R691-L694 HydrophobicContact CG-CD2 4.43Å; L694-A698 HydrophobicContact CD1-CB 4.15Å; L694-A698 HydrophobicContact CG-CB 4.1Å; L694-L699 HydrophobicContact CD2-CB 3.8Å; L694-L699 HydrophobicContact CD2-CD1 3.95Å; L694-L699 HydrophobicContact CD2-CG 4.49Å; L694-L699 HydrophobicContact CG-CB 4.33Å; L694-Y741 PolarHBondContact N-O 3.3Å; L694-Y741 PolarHBondContact O-N 3.2Å
695R94.3Very high93.1Very high174 Ų17466.7 Ų66.766%0.65733%0.326SS*.EExtended strand (participates in β ladder)trans-73.2150.8174.9-66.5-173.4-179.1-175.70.8111.8N697 A698 L699 D739R695-N697 PolarHBondContact O-N 3.22Å; R695-A698 HydrophobicContact CB-CB 4.47Å; R695-A698 PolarHBondContact O-N 3.43Å; R695-A698 VanDerWaalsContact O-N 3.11Å; R695-L699 PolarHBondContact O-N 2.93Å; R695-D739 CarbonylContact C-O 3.51Å; R695-D739 VanDerWaalsContact CA-O 3.25Å; R695-D739 WeakPolarHBondContact CA-O 3.34Å
696H92.2Very high92.9Very high23 Ų2368.8 Ų68.811%0.10633%0.334CS..Hα-helixtrans-53.1-51.7-176.6-175.869.9000113.5A698 L699 I700 D739 Y741H696-A698 VanDerWaalsContact C-N 3.34Å; H696-A698 PolarHBondContact O-N 3.05Å; H696-L699 PolarHBondContact O-N 3.39Å; H696-I700 WeakPolarHBondContact NE2-CD1 3.07Å; H696-I700 WeakPolarHBondContact O-CG1 3.36Å; H696-I700 PolarHBondContact O-N 3.27Å; H696-D739 PolarHBondContact N-O 3.15Å; H696-Y741 HydrophobicContact CB-CE2 3.73Å; H696-Y741 AromaticContact CG-CE2 3.98Å; H696-Y741 AromaticContact ND1-CE2 3.42Å; H696-Y741 WeakPolarHBondContact ND1-CE2 3.37Å; H696-Y741 AromaticContact ND1-CZ 3.69Å; H696-Y741 PolarHBondContact ND1-OH 3.26Å; H696-Y741 VanDerWaalsContact ND1-OH 3.09Å
697N92.9Very high92.6Very high122 Ų12262.6 Ų62.665%0.65231%0.311SS*.Hα-helixtrans-64.8-37.7179.9-77.4-25000112.4R695 I700 Q701R695-N697 PolarHBondContact O-N 3.22Å; N697-I700 PolarHBondContact O-N 3.04Å; N697-Q701 VanDerWaalsContact O-CG 3.31Å; N697-Q701 WeakPolarHBondContact O-CG 3.13Å; N697-Q701 PolarHBondContact O-N 3.36Å; N697-Q701 VanDerWaalsContact O-N 3.09Å
698A93.1Very high92Very high46 Ų4669.2 Ų69.238%0.3834%0.339SS..Hα-helixtrans-67.3-42.8177.200000111.3L694 R695 H696 I700 Q701 E702L694-A698 HydrophobicContact CD1-CB 4.15Å; L694-A698 HydrophobicContact CG-CB 4.1Å; R695-A698 HydrophobicContact CB-CB 4.47Å; R695-A698 PolarHBondContact O-N 3.43Å; R695-A698 VanDerWaalsContact O-N 3.11Å; H696-A698 VanDerWaalsContact C-N 3.34Å; H696-A698 PolarHBondContact O-N 3.05Å; A698-I700 PolarHBondContact O-N 3.45Å; A698-Q701 PolarHBondContact O-N 2.66Å; A698-E702 WeakPolarHBondContact O-CB 3.5Å; A698-E702 PolarHBondContact O-N 2.96Å
699L93.4Very high91.3Very high0 Ų072.3 Ų72.30%037%0.365CS..Hα-helixtrans-59.8-46.3175.1179.860.6000111.5I684 I687 M688 L694 R695 H696 Q701 E702 V703 I722 Y741I684-L699 HydrophobicContact CG2-CD1 4.44Å; I684-L699 HydrophobicContact CG2-CD2 4.35Å; I687-L699 HydrophobicContact CB-CD1 4.37Å; I687-L699 HydrophobicContact CG2-CD1 3.83Å; M688-L699 HydrophobicContact CG-CD1 4.14Å; M688-L699 HydrophobicContact CG-CD2 4.49Å; M688-L699 HydrophobicContact SD-CD1 4.14Å; M688-L699 HydrophobicContact SD-CD2 4.21Å; L694-L699 HydrophobicContact CD2-CB 3.8Å; L694-L699 HydrophobicContact CD2-CD1 3.95Å; L694-L699 HydrophobicContact CD2-CG 4.49Å; L694-L699 HydrophobicContact CG-CB 4.33Å; R695-L699 PolarHBondContact O-N 2.93Å; H696-L699 PolarHBondContact O-N 3.39Å; L699-Q701 VanDerWaalsContact C-N 3.35Å; L699-Q701 PolarHBondContact O-N 2.58Å; L699-E702 PolarHBondContact O-N 3.46Å; L699-V703 HydrophobicContact CD1-CG2 4.03Å; L699-V703 HydrophobicContact CG-CG2 4.38Å; L699-V703 WeakPolarHBondContact O-CB 3.24Å; L699-V703 WeakPolarHBondContact O-CG2 3.44Å; L699-V703 PolarHBondContact O-N 3.2Å; L699-I722 HydrophobicContact CD2-CD1 3.94Å; L699-I722 HydrophobicContact CD2-CG1 4.31Å; L699-Y741 HydrophobicContact CD2-CD2 4.04Å; L699-Y741 HydrophobicContact CD2-CE2 4.48Å
700I93.4Very high90.7Very high8 Ų869.1 Ų69.14%0.04135%0.349CS..Hα-helixtrans-58.4-47.4177-73.4172.4000110.9H696 N697 A698 V703 I704 I715 I718H696-I700 WeakPolarHBondContact NE2-CD1 3.07Å; H696-I700 WeakPolarHBondContact O-CG1 3.36Å; H696-I700 PolarHBondContact O-N 3.27Å; N697-I700 PolarHBondContact O-N 3.04Å; A698-I700 PolarHBondContact O-N 3.45Å; I700-V703 PolarHBondContact O-N 3.49Å; I700-I704 HydrophobicContact CG2-CD1 3.62Å; I700-I704 HydrophobicContact CG2-CG1 4.37Å; I700-I704 VanDerWaalsContact O-CG1 3.24Å; I700-I704 WeakPolarHBondContact O-CG1 3.32Å; I700-I704 PolarHBondContact O-N 3.21Å; I700-I715 HydrophobicContact CD1-CG2 4.17Å; I700-I715 HydrophobicContact CG2-CG1 4.41Å; I700-I718 HydrophobicContact CG1-CG2 4.1Å; I700-I718 HydrophobicContact CG2-CD1 4.33Å
701Q93.1Very high90.4Very high110 Ų11065.4 Ų65.451%0.51432%0.318SS..Hα-helixtrans-64.3-41-179.8-69-62.9-37.700112.2N697 A698 L699 I704 N705N697-Q701 VanDerWaalsContact O-CG 3.31Å; N697-Q701 WeakPolarHBondContact O-CG 3.13Å; N697-Q701 PolarHBondContact O-N 3.36Å; N697-Q701 VanDerWaalsContact O-N 3.09Å; A698-Q701 PolarHBondContact O-N 2.66Å; L699-Q701 VanDerWaalsContact C-N 3.35Å; L699-Q701 PolarHBondContact O-N 2.58Å; Q701-I704 PolarHBondContact O-N 3.34Å; Q701-N705 WeakPolarHBondContact O-CB 3.2Å; Q701-N705 PolarHBondContact O-N 3.41Å; Q701-N705 PolarHBondContact O-ND2 3.25Å
702E93.3Very high90Very high56 Ų5662.9 Ų62.926%0.26232%0.315SS..Hα-helixtrans-68-38.6178.6-160.4162.2-162.800111.5I687 R691 A698 L699 N705 Q706I687-E702 HydrophobicContact CD1-CB 4.26Å; I687-E702 HydrophobicContact CD1-CG 4.07Å; I687-E702 HydrophobicContact CG1-CG 4.33Å; I687-E702 HydrophobicContact CG2-CB 4.49Å; I687-E702 HydrophobicContact CG2-CG 4.2Å; I687-E702 WeakPolarHBondContact CG2-OE2 3.45Å; R691-E702 IonicContact CZ-OE1 3.5Å; R691-E702 IonicContact NE-OE1 3.24Å; R691-E702 PolarHBondContact NE-OE1 3.33Å; R691-E702 IonicContact NE-OE2 3.62Å; R691-E702 IonicContact NH2-OE1 2.61Å; R691-E702 PolarHBondContact NH2-OE1 3.49Å; A698-E702 WeakPolarHBondContact O-CB 3.5Å; A698-E702 PolarHBondContact O-N 2.96Å; L699-E702 PolarHBondContact O-N 3.46Å; E702-N705 PolarHBondContact O-N 3.28Å; E702-Q706 WeakPolarHBondContact O-CB 3.28Å; E702-Q706 PolarHBondContact O-N 3.06Å
703V93.6Very high89.7Confident0 Ų058 Ų580%030%0.295CS..Hα-helixtrans-64.6-44.2173.2172.60000111.5L680 I684 I687 L699 I700 Q706 S707 I718L680-V703 HydrophobicContact CD2-CG1 3.63Å; I684-V703 HydrophobicContact CG1-CG2 3.67Å; I687-V703 HydrophobicContact CD1-CB 4.45Å; I687-V703 HydrophobicContact CD1-CG2 3.69Å; L699-V703 HydrophobicContact CD1-CG2 4.03Å; L699-V703 HydrophobicContact CG-CG2 4.38Å; L699-V703 WeakPolarHBondContact O-CB 3.24Å; L699-V703 WeakPolarHBondContact O-CG2 3.44Å; L699-V703 PolarHBondContact O-N 3.2Å; I700-V703 PolarHBondContact O-N 3.49Å; V703-Q706 PolarHBondContact O-N 3.07Å; V703-S707 WeakPolarHBondContact O-CB 3.26Å; V703-S707 PolarHBondContact O-N 2.93Å; V703-S707 PolarHBondContact O-OG 2.84Å; V703-S707 VanDerWaalsContact O-OG 3.09Å; V703-I718 HydrophobicContact CB-CD1 4.44Å; V703-I718 HydrophobicContact CG1-CD1 3.94Å; V703-I718 HydrophobicContact CG1-CG1 4.14Å; V703-I718 HydrophobicContact CG1-CG2 4.5Å
704I91.1Very high89.4Confident28 Ų2857.8 Ų57.814%0.14430%0.296CS..Hα-helixtrans-60.3-47.6176-70.7165.6000110I700 Q701 Q706 S707 K708 P713 I718I700-I704 HydrophobicContact CG2-CD1 3.62Å; I700-I704 HydrophobicContact CG2-CG1 4.37Å; I700-I704 VanDerWaalsContact O-CG1 3.24Å; I700-I704 WeakPolarHBondContact O-CG1 3.32Å; I700-I704 PolarHBondContact O-N 3.21Å; Q701-I704 PolarHBondContact O-N 3.34Å; I704-Q706 VanDerWaalsContact C-N 3.34Å; I704-Q706 PolarHBondContact O-N 3.39Å; I704-S707 PolarHBondContact O-N 3.34Å; I704-K708 WeakPolarHBondContact O-CB 3.12Å; I704-K708 PolarHBondContact O-N 3Å; I704-P713 HydrophobicContact CG1-CG 3.99Å; I704-I718 HydrophobicContact CG1-CD1 3.97Å
705N89.7Confident89.2Confident109 Ų10960.9 Ų60.958%0.58331%0.312SS*.Hα-helixtrans-62.2-39.8-180-77.4-20.2000112.5Q701 E702Q701-N705 WeakPolarHBondContact O-CB 3.2Å; Q701-N705 PolarHBondContact O-N 3.41Å; Q701-N705 PolarHBondContact O-ND2 3.25Å; E702-N705 PolarHBondContact O-N 3.28Å
706Q88.9Confident89Confident71 Ų7156 Ų5633%0.33231%0.305SS..Hα-helixtrans-68.9-36.6176.6-171.2172.554.300112.4A683 E702 V703 I704A683-Q706 VanDerWaalsContact CB-OE1 3.27Å; E702-Q706 WeakPolarHBondContact O-CB 3.28Å; E702-Q706 PolarHBondContact O-N 3.06Å; V703-Q706 PolarHBondContact O-N 3.07Å; I704-Q706 VanDerWaalsContact C-N 3.34Å; I704-Q706 PolarHBondContact O-N 3.39Å
707S87.6Confident88.9Confident0 Ų056.8 Ų56.80%031%0.309CS..Hα-helixtrans-81.1-21.1-178.6-63.30000114.4V703 I704 A709 R710 F711V703-S707 WeakPolarHBondContact O-CB 3.26Å; V703-S707 PolarHBondContact O-N 2.93Å; V703-S707 PolarHBondContact O-OG 2.84Å; V703-S707 VanDerWaalsContact O-OG 3.09Å; I704-S707 PolarHBondContact O-N 3.34Å; S707-A709 PolarHBondContact O-N 2.86Å; S707-R710 PolarHBondContact O-N 3.3Å; S707-F711 CarbonylContact C-O 3.58Å; S707-F711 PolarHBondContact O-N 3.02Å
708K82.9Confident88.9Confident150 Ų15051 Ų5165%0.65228%0.278SS*.THydrogen-bonded Turntrans-55.2-27.4-170.9-167.4172.1-176.4177.80114.8I704 R710I704-K708 WeakPolarHBondContact O-CB 3.12Å; I704-K708 PolarHBondContact O-N 3Å; K708-R710 PolarHBondContact O-N 3.13Å
709A78.9Confident88.8Confident64 Ų6453.6 Ų53.653%0.52928%0.28SS..THydrogen-bonded Turntrans-68.6-21.1175.900000113.5K428 S707K428-A709 WeakPolarHBondContact CD-O 3.06Å; S707-A709 PolarHBondContact O-N 2.86Å
710R82Confident88.8Confident56 Ų5660.5 Ų60.521%0.21131%0.31CS..THydrogen-bonded Turntrans-113-45.8-175.4-70.7-175.2160.9-130-0.6113.7K428 D429 S707 K708K428-R710 WeakPolarHBondContact CB-O 3.46Å; K428-R710 PolarHBondContact N-O 3.48Å; D429-R710 PolarHBondContact N-O 3.42Å; D429-R710 VanDerWaalsContact N-O 3.16Å; S707-R710 PolarHBondContact O-N 3.3Å; K708-R710 PolarHBondContact O-N 3.13Å
711F87.3Confident88.8Confident5 Ų560.1 Ų60.12%0.02231%0.309CS..  trans-163.2165.3179.866.1-80.8000111.1D426 D429 R676 Y679 L680 S707 P713D426-F711 WeakPolarHBondContact O-CA 3.38Å; D429-F711 WeakPolarHBondContact OD2-CD1 3.36Å; D429-F711 WeakPolarHBondContact OD2-CG 3.33Å; R676-F711 HydrophobicContact CB-CE1 4.5Å; R676-F711 HydrophobicContact CB-CE2 4.07Å; R676-F711 HydrophobicContact CB-CZ 3.91Å; R676-F711 HydrophobicContact CG-CD1 4.23Å; R676-F711 HydrophobicContact CG-CD2 4.07Å; R676-F711 HydrophobicContact CG-CE1 3.98Å; R676-F711 HydrophobicContact CG-CE2 3.77Å; R676-F711 HydrophobicContact CG-CG 4.29Å; R676-F711 HydrophobicContact CG-CZ 3.74Å; Y679-F711 AromaticContact CD1-CE1 3.84Å; Y679-F711 HydrophobicContact CD1-CE1 3.84Å; Y679-F711 HydrophobicContact CD1-CZ 4.2Å; Y679-F711 HydrophobicContact CE1-CE1 4.33Å; Y679-F711 HydrophobicContact CG-CE1 4.46Å; L680-F711 HydrophobicContact CD1-CE2 4.38Å; L680-F711 HydrophobicContact CD1-CZ 4.37Å; L680-F711 HydrophobicContact CD2-CE2 4.43Å; L680-F711 HydrophobicContact CD2-CZ 4.02Å; L680-F711 HydrophobicContact CG-CE2 4.46Å; L680-F711 HydrophobicContact CG-CZ 3.99Å; S707-F711 CarbonylContact C-O 3.58Å; S707-F711 PolarHBondContact O-N 3.02Å; F711-P713 HydrophobicContact CD2-CB 4.25Å; F711-P713 HydrophobicContact CE2-CB 3.7Å; F711-P713 VanDerWaalsContact O-CD 3.27Å; F711-P713 WeakPolarHBondContact O-CD 3.44Å
712N83.6Confident88.8Confident93 Ų9354.9 Ų54.950%0.49728%0.284SS..  trans-97.2101.9174.6-168.78.3000110.6
713P86.1Confident88.8Confident7 Ų755.9 Ų55.95%0.04529%0.289CS..  trans-70.8137.9-175.528.3-34.2000112L680 I704 F711 I718L680-P713 HydrophobicContact CD1-CB 4.15Å; L680-P713 HydrophobicContact CD2-CB 3.91Å; L680-P713 HydrophobicContact CD2-CG 4.35Å; I704-P713 HydrophobicContact CG1-CG 3.99Å; F711-P713 HydrophobicContact CD2-CB 4.25Å; F711-P713 HydrophobicContact CE2-CB 3.7Å; F711-P713 VanDerWaalsContact O-CD 3.27Å; F711-P713 WeakPolarHBondContact O-CD 3.44Å; P713-I718 HydrophobicContact CB-CD1 4.08Å; P713-I718 HydrophobicContact CB-CG1 4.13Å; P713-I718 HydrophobicContact CG-CD1 4.03Å
714S86.9Confident88.8Confident65 Ų6557.6 Ų57.646%0.45530%0.299SS..  trans-72.5140171.376.20000111.1S716 M717 I718S714-S716 PolarHBondContact O-N 3.19Å; S714-M717 WeakPolarHBondContact O-CB 3.47Å; S714-M717 PolarHBondContact O-N 2.9Å; S714-M717 VanDerWaalsContact OG-CB 3.26Å; S714-M717 WeakPolarHBondContact OG-CB 3.24Å; S714-M717 PolarHBondContact OG-N 3.23Å; S714-I718 PolarHBondContact O-N 3.04Å; S714-I718 VanDerWaalsContact O-N 3.1Å
715I89.4Confident89Confident91 Ų9156.4 Ų56.447%0.46729%0.293SS..Hα-helixtrans-57-36.6177.1-64.4170.2000111I700 M717 I718 K719I700-I715 HydrophobicContact CD1-CG2 4.17Å; I700-I715 HydrophobicContact CG2-CG1 4.41Å; I715-M717 VanDerWaalsContact C-N 3.35Å; I715-M717 PolarHBondContact O-N 3Å; I715-I718 PolarHBondContact O-N 3.44Å; I715-K719 HydrophobicContact CG2-CD 4.31Å; I715-K719 WeakPolarHBondContact O-CG 3.14Å; I715-K719 PolarHBondContact O-N 3.26Å
716S90.7Very high89.1Confident72 Ų7253.1 Ų53.150%0.50328%0.275SS..Hα-helixtrans-60.1-42.4175.5-177.70000112.4S714 K719 K720S714-S716 PolarHBondContact O-N 3.19Å; S716-K719 PolarHBondContact O-N 3.36Å; S716-K720 WeakPolarHBondContact O-CG 3.35Å; S716-K720 PolarHBondContact O-N 3.23Å
717M89.3Confident89.3Confident39 Ų3955.7 Ų55.719%0.19229%0.291CS..Hα-helixtrans-68.6-39.4178.2-171.3173.3-168.900112.2D673 R676 K677 L680 S714 I715 K720 C721D673-M717 WeakPolarHBondContact O-CE 3.46Å; R676-M717 HydrophobicContact CB-CE 3.57Å; R676-M717 HydrophobicContact CB-SD 4.28Å; K677-M717 HydrophobicContact CB-CE 3.82Å; K677-M717 VanDerWaalsContact N-CE 3.32Å; L680-M717 HydrophobicContact CD1-CB 4.45Å; L680-M717 HydrophobicContact CD1-CE 4.33Å; L680-M717 HydrophobicContact CD1-CG 3.79Å; L680-M717 HydrophobicContact CD1-SD 3.92Å; S714-M717 WeakPolarHBondContact O-CB 3.47Å; S714-M717 PolarHBondContact O-N 2.9Å; S714-M717 VanDerWaalsContact OG-CB 3.26Å; S714-M717 WeakPolarHBondContact OG-CB 3.24Å; S714-M717 PolarHBondContact OG-N 3.23Å; I715-M717 VanDerWaalsContact C-N 3.35Å; I715-M717 PolarHBondContact O-N 3Å; M717-K720 PolarHBondContact O-N 3.05Å; M717-C721 PolarHBondContact O-N 3.28Å; M717-C721 PolarHBondContact O-SG 3.49Å
718I92.3Very high89.6Confident0 Ų060.9 Ų60.90%031%0.314CS..Hα-helixtrans-61-46.7175-61.8172.1000110.1L680 I684 I700 V703 I704 P713 S714 I715 K720 C721 I722L680-I718 HydrophobicContact CD1-CG1 4.42Å; I684-I718 HydrophobicContact CD1-CG2 4.45Å; I700-I718 HydrophobicContact CG1-CG2 4.1Å; I700-I718 HydrophobicContact CG2-CD1 4.33Å; V703-I718 HydrophobicContact CB-CD1 4.44Å; V703-I718 HydrophobicContact CG1-CD1 3.94Å; V703-I718 HydrophobicContact CG1-CG1 4.14Å; V703-I718 HydrophobicContact CG1-CG2 4.5Å; I704-I718 HydrophobicContact CG1-CD1 3.97Å; P713-I718 HydrophobicContact CB-CD1 4.08Å; P713-I718 HydrophobicContact CB-CG1 4.13Å; P713-I718 HydrophobicContact CG-CD1 4.03Å; S714-I718 PolarHBondContact O-N 3.04Å; S714-I718 VanDerWaalsContact O-N 3.1Å; I715-I718 PolarHBondContact O-N 3.44Å; I718-K720 PolarHBondContact O-N 3.19Å; I718-C721 WeakPolarHBondContact O-CB 3.45Å; I718-C721 PolarHBondContact O-N 3.21Å; I718-I722 HydrophobicContact CG2-CD1 4.03Å; I718-I722 HydrophobicContact CG2-CG1 4.45Å; I718-I722 WeakPolarHBondContact O-CG1 3.3Å; I718-I722 PolarHBondContact O-N 3.01Å
719K91.7Very high90Very high101 Ų10160.9 Ų60.944%0.43932%0.316SS..Hα-helixtrans-56.5-48.1176.3-73178.4177.6-171.60111.8I715 S716 C721 I722 E723I715-K719 HydrophobicContact CG2-CD 4.31Å; I715-K719 WeakPolarHBondContact O-CG 3.14Å; I715-K719 PolarHBondContact O-N 3.26Å; S716-K719 PolarHBondContact O-N 3.36Å; K719-C721 VanDerWaalsContact C-N 3.27Å; K719-C721 PolarHBondContact O-N 3.4Å; K719-I722 WeakPolarHBondContact O-CB 3.19Å; K719-I722 PolarHBondContact O-N 3.39Å; K719-E723 PolarHBondContact O-N 3.2Å; K719-E723 VanDerWaalsContact O-N 3.1Å
720K93.3Very high90.5Very high145 Ų14562.6 Ų62.663%0.6331%0.31SS*.Hα-helixtrans-59.4-36.7174.9-71.4-178.4-178.5-175.50112.8S716 M717 I718 V724S716-K720 WeakPolarHBondContact O-CG 3.35Å; S716-K720 PolarHBondContact O-N 3.23Å; M717-K720 PolarHBondContact O-N 3.05Å; I718-K720 PolarHBondContact O-N 3.19Å; K720-V724 VanDerWaalsContact O-CG2 3.32Å; K720-V724 WeakPolarHBondContact O-CG2 2.97Å; K720-V724 PolarHBondContact O-N 2.85Å
721C93.7Very high91Very high1 Ų160 Ų601%0.00730%0.3CS..Hα-helixtrans-69.7-37.1177.2-66.20000112.3L680 Q681 I684 M717 I718 K719 V724 L725L680-C721 HydrophobicContact CB-CB 4.43Å; Q681-C721 HydrophobicContact CG-CB 4.05Å; I684-C721 HydrophobicContact CD1-CB 3.75Å; M717-C721 PolarHBondContact O-N 3.28Å; M717-C721 PolarHBondContact O-SG 3.49Å; I718-C721 WeakPolarHBondContact O-CB 3.45Å; I718-C721 PolarHBondContact O-N 3.21Å; K719-C721 VanDerWaalsContact C-N 3.27Å; K719-C721 PolarHBondContact O-N 3.4Å; C721-V724 PolarHBondContact O-N 3.11Å; C721-L725 VanDerWaalsContact O-CG 3.3Å; C721-L725 WeakPolarHBondContact O-CG 3.48Å; C721-L725 PolarHBondContact O-N 3.41Å
722I93.2Very high91.3Very high0 Ų064.4 Ų64.40%032%0.321CS..Hα-helixtrans-61-50.2174.9-69169.3000110.1I684 L699 I718 K719 V724 L725 I726 I731 Y741I684-I722 HydrophobicContact CD1-CG1 4.05Å; L699-I722 HydrophobicContact CD2-CD1 3.94Å; L699-I722 HydrophobicContact CD2-CG1 4.31Å; I718-I722 HydrophobicContact CG2-CD1 4.03Å; I718-I722 HydrophobicContact CG2-CG1 4.45Å; I718-I722 WeakPolarHBondContact O-CG1 3.3Å; I718-I722 PolarHBondContact O-N 3.01Å; K719-I722 WeakPolarHBondContact O-CB 3.19Å; K719-I722 PolarHBondContact O-N 3.39Å; I722-V724 VanDerWaalsContact C-N 3.32Å; I722-V724 PolarHBondContact O-N 3Å; I722-L725 PolarHBondContact O-N 2.99Å; I722-I726 HydrophobicContact CG2-CD1 3.97Å; I722-I726 HydrophobicContact CG2-CG1 4.46Å; I722-I726 WeakPolarHBondContact O-CG1 3.43Å; I722-I726 PolarHBondContact O-N 2.92Å; I722-I731 HydrophobicContact CG2-CD1 3.9Å; I722-Y741 HydrophobicContact CG2-CD1 4.26Å; I722-Y741 HydrophobicContact CG2-CE1 3.62Å
723E93.2Very high91.7Very high76 Ų7665.7 Ų65.736%0.35532%0.319SS..Hα-helixtrans-57.3-45.1178.6-61.8-55.5140.700111.7K719 L725 I726 D727 R733K719-E723 PolarHBondContact O-N 3.2Å; K719-E723 VanDerWaalsContact O-N 3.1Å; E723-L725 VanDerWaalsContact C-N 3.25Å; E723-L725 PolarHBondContact O-N 2.86Å; E723-I726 WeakPolarHBondContact O-CB 3.45Å; E723-I726 PolarHBondContact O-N 3.2Å; E723-I726 VanDerWaalsContact O-N 3.11Å; E723-D727 PolarHBondContact O-N 2.93Å; E723-R733 IonicContact OE1-CZ 3.89Å; E723-R733 IonicContact OE1-NH2 2.75Å; E723-R733 PolarHBondContact OE1-NH2 2.74Å; E723-R733 IonicContact OE2-NH2 3.42Å; E723-R733 PolarHBondContact OE2-NH2 2.84Å
724V93.9Very high91.7Very high37 Ų3766.6 Ų66.622%0.22433%0.325CS..Hα-helixtrans-62.6-31.7176.5174.30000112.6Q681 K720 C721 I722 K728Q681-V724 VanDerWaalsContact NE2-CG1 3.31Å; K720-V724 VanDerWaalsContact O-CG2 3.32Å; K720-V724 WeakPolarHBondContact O-CG2 2.97Å; K720-V724 PolarHBondContact O-N 2.85Å; C721-V724 PolarHBondContact O-N 3.11Å; I722-V724 VanDerWaalsContact C-N 3.32Å; I722-V724 PolarHBondContact O-N 3Å; V724-K728 HydrophobicContact CG1-CD 4.13Å; V724-K728 WeakPolarHBondContact O-CB 3.4Å; V724-K728 VanDerWaalsContact O-CG 3.24Å; V724-K728 WeakPolarHBondContact O-CG 3.5Å; V724-K728 PolarHBondContact O-N 3.1Å; V724-K728 VanDerWaalsContact O-N 3.12Å
725L94.1Very high91.3Very high3 Ų373.2 Ų73.22%0.01635%0.349CS..Hα-helixtrans-78.5-26.9177.2-71.4174.2000112.8Q681 I684 V685 C721 I722 E723 Q729 Y730 I731Q681-L725 HydrophobicContact CB-CD1 4.46Å; Q681-L725 HydrophobicContact CB-CD2 4.17Å; Q681-L725 HydrophobicContact CB-CG 4.47Å; Q681-L725 HydrophobicContact CG-CD2 4.31Å; Q681-L725 HydrophobicContact CG-CG 4.26Å; I684-L725 HydrophobicContact CB-CD1 3.59Å; I684-L725 HydrophobicContact CD1-CD1 4.11Å; I684-L725 HydrophobicContact CG1-CD1 4.47Å; I684-L725 HydrophobicContact CG2-CD1 3.42Å; I684-L725 VanDerWaalsContact CG2-CD1 3.42Å; V685-L725 HydrophobicContact CG2-CD1 3.97Å; V685-L725 HydrophobicContact CG2-CD2 3.62Å; V685-L725 HydrophobicContact CG2-CG 4.42Å; C721-L725 VanDerWaalsContact O-CG 3.3Å; C721-L725 WeakPolarHBondContact O-CG 3.48Å; C721-L725 PolarHBondContact O-N 3.41Å; I722-L725 PolarHBondContact O-N 2.99Å; E723-L725 VanDerWaalsContact C-N 3.25Å; E723-L725 PolarHBondContact O-N 2.86Å; L725-Q729 PolarHBondContact O-N 3.34Å; L725-Y730 HydrophobicContact CD2-CD2 3.8Å; L725-Y730 HydrophobicContact CD2-CG 4.28Å; L725-Y730 PolarHBondContact O-N 3.39Å; L725-I731 HydrophobicContact CB-CD1 3.87Å; L725-I731 HydrophobicContact CB-CG1 3.85Å
726I92.7Very high90.7Very high39 Ų3974.6 Ų74.620%0.236%0.361CS..Hα-helixtrans-66.8-49169-64.7168.4000109.6I722 E723 K728 Q729 I731 R733 Y741I722-I726 HydrophobicContact CG2-CD1 3.97Å; I722-I726 HydrophobicContact CG2-CG1 4.46Å; I722-I726 WeakPolarHBondContact O-CG1 3.43Å; I722-I726 PolarHBondContact O-N 2.92Å; E723-I726 WeakPolarHBondContact O-CB 3.45Å; E723-I726 PolarHBondContact O-N 3.2Å; E723-I726 VanDerWaalsContact O-N 3.11Å; I726-K728 PolarHBondContact O-N 3.03Å; I726-Q729 WeakPolarHBondContact O-CA 3.15Å; I726-Q729 PolarHBondContact O-N 3.27Å; I726-I731 WeakPolarHBondContact CA-O 3.42Å; I726-I731 HydrophobicContact CG1-CD1 4.11Å; I726-I731 HydrophobicContact CG1-CG1 3.77Å; I726-R733 HydrophobicContact CD1-CG 4.07Å; I726-Y741 HydrophobicContact CD1-CD1 4.44Å; I726-Y741 HydrophobicContact CD1-CE1 4.06Å
727D93.4Very high90.3Very high126 Ų12673.7 Ų73.767%0.67436%0.355SS*.Hα-helixtrans-58.8-35.9177.5-65.6-24000112.1E723 Q729E723-D727 PolarHBondContact O-N 2.93Å; D727-Q729 VanDerWaalsContact C-N 3.26Å; D727-Q729 PolarHBondContact O-N 3.35Å
728K92.9Very high89.8Confident108 Ų10874.9 Ų74.947%0.4737%0.371SS..THydrogen-bonded Turntrans-81.93.5176.2-71.7177.7179.4-175.20114.1V724 I726 Y730V724-K728 HydrophobicContact CG1-CD 4.13Å; V724-K728 WeakPolarHBondContact O-CB 3.4Å; V724-K728 VanDerWaalsContact O-CG 3.24Å; V724-K728 WeakPolarHBondContact O-CG 3.5Å; V724-K728 PolarHBondContact O-N 3.1Å; V724-K728 VanDerWaalsContact O-N 3.12Å; I726-K728 PolarHBondContact O-N 3.03Å; K728-Y730 VanDerWaalsContact C-N 3.26Å; K728-Y730 HydrophobicContact CB-CD2 3.61Å; K728-Y730 HydrophobicContact CB-CE2 3.83Å; K728-Y730 HydrophobicContact CD-CD2 4.43Å; K728-Y730 HydrophobicContact CD-CE2 4.18Å; K728-Y730 PolarHBondContact O-N 2.99Å
729Q91.3Very high89.6Confident151 Ų15179.9 Ų79.971%0.70640%0.398SS*.THydrogen-bonded Turntrans59.826.8178.5-55.5-179.3-33.100115.1L725 I726 D727L725-Q729 PolarHBondContact O-N 3.34Å; I726-Q729 WeakPolarHBondContact O-CA 3.15Å; I726-Q729 PolarHBondContact O-N 3.27Å; D727-Q729 VanDerWaalsContact C-N 3.26Å; D727-Q729 PolarHBondContact O-N 3.35Å
730Y90.1Very high89.6Confident100 Ų10077.2 Ų77.239%0.39239%0.387SS..SBendtrans-81.4-32.5172.1-76.1-74.3000112.2V685 L725 K728 Y743 V744 A745V685-Y730 HydrophobicContact CG1-CD1 4.29Å; V685-Y730 HydrophobicContact CG2-CD1 4.23Å; V685-Y730 HydrophobicContact CG2-CG 4.05Å; L725-Y730 HydrophobicContact CD2-CD2 3.8Å; L725-Y730 HydrophobicContact CD2-CG 4.28Å; L725-Y730 PolarHBondContact O-N 3.39Å; K728-Y730 VanDerWaalsContact C-N 3.26Å; K728-Y730 HydrophobicContact CB-CD2 3.61Å; K728-Y730 HydrophobicContact CB-CE2 3.83Å; K728-Y730 HydrophobicContact CD-CD2 4.43Å; K728-Y730 HydrophobicContact CD-CE2 4.18Å; K728-Y730 PolarHBondContact O-N 2.99Å; Y730-Y743 VanDerWaalsContact O-CD2 3.28Å; Y730-Y743 WeakPolarHBondContact O-CD2 3.37Å; Y730-V744 PolarHBondContact O-N 3.05Å; Y730-V744 VanDerWaalsContact O-N 3.1Å; Y730-A745 HydrophobicContact CD1-CB 3.98Å
731I93Very high89.6Confident1 Ų170.8 Ų70.81%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-138.6155.8-18061.3175.4000108.7I684 M688 I722 L725 I726 S742 Y743I684-I731 HydrophobicContact CG2-CD1 4.36Å; M688-I731 HydrophobicContact CB-CG2 3.86Å; M688-I731 HydrophobicContact CE-CG2 4.09Å; M688-I731 HydrophobicContact CG-CG2 3.85Å; I722-I731 HydrophobicContact CG2-CD1 3.9Å; L725-I731 HydrophobicContact CB-CD1 3.87Å; L725-I731 HydrophobicContact CB-CG1 3.85Å; I726-I731 WeakPolarHBondContact CA-O 3.42Å; I726-I731 HydrophobicContact CG1-CD1 4.11Å; I726-I731 HydrophobicContact CG1-CG1 3.77Å; I731-S742 CarbonylContact C-O 3.49Å; I731-S742 VanDerWaalsContact CA-O 3.25Å; I731-S742 WeakPolarHBondContact CA-O 3.37Å; I731-Y743 HydrophobicContact CG2-CD2 4.38Å
732E92.4Very high89.5Confident98 Ų9871.6 Ų71.646%0.45837%0.365SS..EExtended strand (participates in β ladder)trans-134165173.168.9-173173.800109.9Y741 S742 V744E732-Y741 CarbonylContact O-C 3.56Å; E732-Y741 VanDerWaalsContact O-CA 3.24Å; E732-Y741 WeakPolarHBondContact O-CA 3.49Å; E732-S742 WeakPolarHBondContact CG-OG 3.25Å; E732-S742 PolarHBondContact N-O 3.4Å; E732-S742 PolarHBondContact O-N 3.16Å; E732-S742 PolarHBondContact OE1-OG 3.32Å; E732-V744 HydrophobicContact CB-CG2 3.67Å; E732-V744 HydrophobicContact CG-CG2 3.42Å; E732-V744 VanDerWaalsContact CG-CG2 3.42Å
733R91.8Very high89.5Confident120 Ų12073.3 Ų73.345%0.45337%0.371SS..EExtended strand (participates in β ladder)trans-82.6134.3170.7-64-175.9-175.5-173.92108.6E723 I726 Y741E723-R733 IonicContact OE1-CZ 3.89Å; E723-R733 IonicContact OE1-NH2 2.75Å; E723-R733 PolarHBondContact OE1-NH2 2.74Å; E723-R733 IonicContact OE2-NH2 3.42Å; E723-R733 PolarHBondContact OE2-NH2 2.84Å; I726-R733 HydrophobicContact CD1-CG 4.07Å; R733-Y741 HydrophobicContact CG-CD1 4.08Å; R733-Y741 HydrophobicContact CG-CE1 3.87Å
734S86.4Confident89.2Confident26 Ų2673 Ų7318%0.18238%0.375CS..  trans-61.6142.9178-170.80000110.5T736 S737 E740S734-T736 PolarHBondContact O-N 2.82Å; S734-T736 PolarHBondContact OG-OG1 3.11Å; S734-S737 PolarHBondContact O-N 3.38Å; S734-E740 PolarHBondContact N-O 3.13Å; S734-E740 PolarHBondContact OG-OE2 3.17Å; S734-E740 VanDerWaalsContact OG-OE2 3.13Å
735Q79Confident88.1Confident204 Ų20475.9 Ų75.995%0.95340%0.402SS*.THydrogen-bonded Turntrans-66.7-21.6178.7-63-172.88.600112.5
736T77Confident87.9Confident119 Ų11979.5 Ų79.573%0.7342%0.421SS*.THydrogen-bonded Turntrans-86.9-24.2-177.846.20000113.6S734S734-T736 PolarHBondContact O-N 2.82Å; S734-T736 PolarHBondContact OG-OG1 3.11Å
737S82.6Confident87.6Confident53 Ų5381.6 Ų81.637%0.37143%0.433SS..  trans-161.3136.8-178.1-177.70000113S734 D739 E740S734-S737 PolarHBondContact O-N 3.38Å; S737-D739 PolarHBondContact O-N 2.65Å; S737-D739 PolarHBondContact OG-N 3Å; S737-E740 PolarHBondContact O-N 3.45Å
738A78.2Confident87.3Confident65 Ų6579.2 Ų79.254%0.53742%0.42SS..THydrogen-bonded Turntrans-68.3-18174.200000113.7E740A738-E740 VanDerWaalsContact C-N 3.31Å
739D87.4Confident86.9Confident104 Ų10477.5 Ų77.556%0.55642%0.417SS*.THydrogen-bonded Turntrans-90.910178.9-81.3-22.8000113.1R695 H696 S737R695-D739 CarbonylContact C-O 3.51Å; R695-D739 VanDerWaalsContact CA-O 3.25Å; R695-D739 WeakPolarHBondContact CA-O 3.34Å; H696-D739 PolarHBondContact N-O 3.15Å; S737-D739 PolarHBondContact O-N 2.65Å; S737-D739 PolarHBondContact OG-N 3Å
740E92Very high86.7Confident46 Ų4672.9 Ų72.922%0.21540%0.399CS..EExtended strand (participates in β ladder)trans-128.8134.6-179.2-173.4173.2-100.600110.8V693 S734 S737 A738V693-E740 HydrophobicContact CG1-CG 3.58Å; S734-E740 PolarHBondContact N-O 3.13Å; S734-E740 PolarHBondContact OG-OE2 3.17Å; S734-E740 VanDerWaalsContact OG-OE2 3.13Å; S737-E740 PolarHBondContact O-N 3.45Å; A738-E740 VanDerWaalsContact C-N 3.31Å
741Y93.3Very high86.4Confident10 Ų1071.1 Ų71.14%0.03940%0.399CS..EExtended strand (participates in β ladder)trans-112.2142.8177.1-56.7-79.5000110.1M688 V693 L694 H696 L699 I722 I726 E732 R733M688-Y741 WeakPolarHBondContact CE-O 3.38Å; V693-Y741 WeakPolarHBondContact CA-O 3.42Å; L694-Y741 PolarHBondContact N-O 3.3Å; L694-Y741 PolarHBondContact O-N 3.2Å; H696-Y741 HydrophobicContact CB-CE2 3.73Å; H696-Y741 AromaticContact CG-CE2 3.98Å; H696-Y741 AromaticContact ND1-CE2 3.42Å; H696-Y741 WeakPolarHBondContact ND1-CE2 3.37Å; H696-Y741 AromaticContact ND1-CZ 3.69Å; H696-Y741 PolarHBondContact ND1-OH 3.26Å; H696-Y741 VanDerWaalsContact ND1-OH 3.09Å; L699-Y741 HydrophobicContact CD2-CD2 4.04Å; L699-Y741 HydrophobicContact CD2-CE2 4.48Å; I722-Y741 HydrophobicContact CG2-CD1 4.26Å; I722-Y741 HydrophobicContact CG2-CE1 3.62Å; I726-Y741 HydrophobicContact CD1-CD1 4.44Å; I726-Y741 HydrophobicContact CD1-CE1 4.06Å; E732-Y741 CarbonylContact O-C 3.56Å; E732-Y741 VanDerWaalsContact O-CA 3.24Å; E732-Y741 WeakPolarHBondContact O-CA 3.49Å; R733-Y741 HydrophobicContact CG-CD1 4.08Å; R733-Y741 HydrophobicContact CG-CE1 3.87Å
742S90.8Very high86Confident18 Ų1876.1 Ų76.113%0.12643%0.427CS..EExtended strand (participates in β ladder)trans-112.4147.1168.340.90000110.3K692 I731 E732K692-S742 CarbonylContact O-C 3.59Å; K692-S742 WeakPolarHBondContact O-CA 3.25Å; I731-S742 CarbonylContact C-O 3.49Å; I731-S742 VanDerWaalsContact CA-O 3.25Å; I731-S742 WeakPolarHBondContact CA-O 3.37Å; E732-S742 WeakPolarHBondContact CG-OG 3.25Å; E732-S742 PolarHBondContact N-O 3.4Å; E732-S742 PolarHBondContact O-N 3.16Å; E732-S742 PolarHBondContact OE1-OG 3.32Å
743Y92.9Very high85.5Confident35 Ų3574.4 Ų74.414%0.13743%0.425CS..EExtended strand (participates in β ladder)trans-89.4131.3176176.2-101.4000110.6V685 M688 K689 K692 Y730 I731 A745V685-Y743 HydrophobicContact CG1-CE2 4.39Å; M688-Y743 HydrophobicContact CB-CD2 3.96Å; M688-Y743 HydrophobicContact CB-CG 4.46Å; M688-Y743 WeakPolarHBondContact O-CB 3.5Å; K689-Y743 HydrophobicContact CB-CD2 4.29Å; K689-Y743 HydrophobicContact CB-CE1 4.07Å; K689-Y743 HydrophobicContact CB-CE2 3.86Å; K689-Y743 HydrophobicContact CG-CE1 3.93Å; K689-Y743 HydrophobicContact CG-CE2 4.45Å; K692-Y743 HydrophobicContact CD-CD1 4.12Å; K692-Y743 PolarHBondContact O-N 3.48Å; Y730-Y743 VanDerWaalsContact O-CD2 3.28Å; Y730-Y743 WeakPolarHBondContact O-CD2 3.37Å; I731-Y743 HydrophobicContact CG2-CD2 4.38Å; Y743-A745 WeakPolarHBondContact CE1-O 3.31Å; Y743-A745 HydrophobicContact CE2-CB 4.29Å; Y743-A745 PolarHBondContact OH-O 3.38Å
744V87.3Confident85Confident71 Ų7170.6 Ų70.643%0.4342%0.423SS..  trans-110.1-24.2-166.1-174.50000113.6Y730 E732Y730-V744 PolarHBondContact O-N 3.05Å; Y730-V744 VanDerWaalsContact O-N 3.1Å; E732-V744 HydrophobicContact CB-CG2 3.67Å; E732-V744 HydrophobicContact CG-CG2 3.42Å; E732-V744 VanDerWaalsContact CG-CG2 3.42Å
745A72.6Confident84.8Confident96 Ų9674.6 Ų74.679%0.79344%0.444SS*.  trans-93.20-164.900000117.4Y730 Y743Y730-A745 HydrophobicContact CD1-CB 3.98Å; Y743-A745 WeakPolarHBondContact CE1-O 3.31Å; Y743-A745 HydrophobicContact CE2-CB 4.29Å; Y743-A745 PolarHBondContact OH-O 3.38Å

Retrieved 745 of 745 residues in 591.7 ms (Link to these results)

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