A0A077YUY8_TRITR Loading...

Charged multivesicular body protein 7

AlphaFold DB , UniProt , Accession A0A077YUY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 413 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
1M54.1Low68.7Low76 Ų76109.4 Ų109.437%0.37454%0.541SS..  0-34.40-103.3162-159.300113.2S3 I4 W35 T38 F60 W62M1-S3 PolarHBondContact O-N 3.46Å; M1-I4 PolarHBondContact O-N 2.85Å; M1-W35 HydrophobicContact CE-CH2 3.28Å; M1-W35 HydrophobicContact CE-CZ2 4.29Å; M1-W35 HydrophobicContact CE-CZ3 3.45Å; M1-W35 VanDerWaalsContact CE-CZ3 3.45Å; M1-T38 HydrophobicContact CE-CG2 4.26Å; M1-F60 HydrophobicContact CE-CB 4.23Å; M1-F60 HydrophobicContact CE-CG 4.47Å; M1-W62 HydrophobicContact SD-CB 4.46Å
2D50.7Low70.3Confident149 Ų149105.2 Ų105.280%0.79752%0.522SS*.THydrogen-bonded Turntrans-66.4-10.3-168.7-62.8-29000117.2
3S55.1Low71.7Confident117 Ų117101.5 Ų101.582%0.81851%0.506SS*.THydrogen-bonded Turntrans-106.5-7.7-179.6-172.20000115.1M1M1-S3 PolarHBondContact O-N 3.46Å
4I58.1Low73.1Confident130 Ų13095.4 Ų95.467%0.66748%0.475SS*.THydrogen-bonded Turntrans-109.4-19.7-163.9-64.7174.8000113.3M1M1-I4 PolarHBondContact O-N 2.85Å
5V56.7Low74.2Confident19 Ų1989.7 Ų89.712%0.11545%0.447CS..  trans-135.7105.7179.9-170.50000109.3D7 R10 I11 L14V5-D7 HydrophobicContact CG1-CB 4.32Å; V5-D7 VanDerWaalsContact CG1-O 3.32Å; V5-D7 WeakPolarHBondContact CG1-O 3.15Å; V5-D7 PolarHBondContact O-N 3.33Å; V5-R10 HydrophobicContact CG1-CB 3.77Å; V5-R10 HydrophobicContact CG1-CG 3.78Å; V5-I11 HydrophobicContact CB-CD1 3.93Å; V5-I11 HydrophobicContact CB-CG1 3.55Å; V5-I11 HydrophobicContact CG1-CD1 4.25Å; V5-I11 HydrophobicContact CG1-CG1 3.53Å; V5-I11 HydrophobicContact CG2-CG1 4.26Å; V5-L14 HydrophobicContact CG2-CD1 4.45Å
6K61.7Low75.2Confident223 Ų22386.8 Ų86.897%0.9744%0.441SS*.  trans-75.5-4.2175.2-70.4-174.5177.4-178.50113.4
7D79.5Confident76.2Confident80 Ų8091.1 Ų91.143%0.42846%0.456SS..  trans-112.6106.6-172.8-175.3-6.1000110.3V5 E9 R10 I11V5-D7 HydrophobicContact CG1-CB 4.32Å; V5-D7 VanDerWaalsContact CG1-O 3.32Å; V5-D7 WeakPolarHBondContact CG1-O 3.15Å; V5-D7 PolarHBondContact O-N 3.33Å; D7-E9 VanDerWaalsContact C-N 3.25Å; D7-E9 PolarHBondContact O-N 3.43Å; D7-E9 WeakPolarHBondContact OD1-CB 3.45Å; D7-E9 PolarHBondContact OD1-N 3.5Å; D7-E9 VanDerWaalsContact OD1-N 3.08Å; D7-R10 HydrophobicContact CB-CB 3.89Å; D7-R10 WeakPolarHBondContact O-CB 3.49Å; D7-R10 PolarHBondContact O-N 3.03Å; D7-R10 VanDerWaalsContact O-N 3.15Å; D7-I11 PolarHBondContact O-N 3.35Å; D7-I11 VanDerWaalsContact O-N 3.09Å
8E83Confident77.1Confident94 Ų9487.7 Ų87.744%0.43944%0.438SS..Hα-helixtrans-58.6-36179.4162.9148.5-145.700112.2R10 I11 L12 W62 K63E8-R10 VanDerWaalsContact C-N 3.33Å; E8-R10 PolarHBondContact O-N 3.17Å; E8-I11 PolarHBondContact O-N 2.8Å; E8-L12 HydrophobicContact CG-CD1 4.07Å; E8-L12 WeakPolarHBondContact O-CB 3.49Å; E8-L12 VanDerWaalsContact O-CG 3.31Å; E8-L12 WeakPolarHBondContact O-CG 3.5Å; E8-L12 PolarHBondContact O-N 3.35Å; E8-W62 HydrophobicContact CB-CH2 4.23Å; E8-W62 HydrophobicContact CG-CH2 3.78Å; E8-K63 IonicContact OE1-NZ 3.34Å; E8-K63 PolarHBondContact OE1-NZ 3.23Å; E8-K63 IonicContact OE2-NZ 3.3Å; E8-K63 PolarHBondContact OE2-NZ 3.26Å
9E83.8Confident77.6Confident154 Ų15492.6 Ų92.672%0.7245%0.451SS*.Hα-helixtrans-65.5-40.6177.3-63-170.5169.800111D7 L12 N13D7-E9 VanDerWaalsContact C-N 3.25Å; D7-E9 PolarHBondContact O-N 3.43Å; D7-E9 WeakPolarHBondContact OD1-CB 3.45Å; D7-E9 PolarHBondContact OD1-N 3.5Å; D7-E9 VanDerWaalsContact OD1-N 3.08Å; E9-L12 PolarHBondContact O-N 3.32Å; E9-N13 PolarHBondContact O-N 2.96Å
10R86.6Confident78.1Confident148 Ų14894.5 Ų94.556%0.55846%0.463SS*.Hα-helixtrans-63.6-41.5175.8-178.9172.5168.1166.50.9111.7V5 D7 E8 N13 L14V5-R10 HydrophobicContact CG1-CB 3.77Å; V5-R10 HydrophobicContact CG1-CG 3.78Å; D7-R10 HydrophobicContact CB-CB 3.89Å; D7-R10 WeakPolarHBondContact O-CB 3.49Å; D7-R10 PolarHBondContact O-N 3.03Å; D7-R10 VanDerWaalsContact O-N 3.15Å; E8-R10 VanDerWaalsContact C-N 3.33Å; E8-R10 PolarHBondContact O-N 3.17Å; R10-N13 PolarHBondContact O-N 3.19Å; R10-L14 HydrophobicContact CG-CD1 4.26Å; R10-L14 VanDerWaalsContact O-CG 3.28Å; R10-L14 WeakPolarHBondContact O-CG 3.44Å; R10-L14 PolarHBondContact O-N 3.31Å
11I86Confident78.6Confident13 Ų1395.5 Ų95.57%0.06746%0.461CS..Hα-helixtrans-63.7-46.7175.7-61174.5000110.3V5 D7 E8 N13 L14 M15 W62V5-I11 HydrophobicContact CB-CD1 3.93Å; V5-I11 HydrophobicContact CB-CG1 3.55Å; V5-I11 HydrophobicContact CG1-CD1 4.25Å; V5-I11 HydrophobicContact CG1-CG1 3.53Å; V5-I11 HydrophobicContact CG2-CG1 4.26Å; D7-I11 PolarHBondContact O-N 3.35Å; D7-I11 VanDerWaalsContact O-N 3.09Å; E8-I11 PolarHBondContact O-N 2.8Å; I11-N13 VanDerWaalsContact C-N 3.29Å; I11-N13 PolarHBondContact O-N 3.18Å; I11-L14 CarbonylContact O-C 3.47Å; I11-L14 WeakPolarHBondContact O-CB 3.42Å; I11-L14 PolarHBondContact O-N 2.85Å; I11-L14 VanDerWaalsContact O-N 3.08Å; I11-M15 HydrophobicContact CG2-CG 4.19Å; I11-M15 HydrophobicContact CG2-SD 3.84Å; I11-M15 VanDerWaalsContact O-CG 3.32Å; I11-M15 WeakPolarHBondContact O-CG 3.49Å; I11-M15 PolarHBondContact O-N 3Å; I11-W62 HydrophobicContact CB-CH2 4.33Å; I11-W62 HydrophobicContact CB-CZ2 4.28Å; I11-W62 HydrophobicContact CB-CZ3 4.5Å; I11-W62 HydrophobicContact CD1-CH2 4.43Å; I11-W62 HydrophobicContact CD1-CZ2 3.62Å; I11-W62 HydrophobicContact CG2-CD2 3.59Å; I11-W62 HydrophobicContact CG2-CE3 3.75Å; I11-W62 HydrophobicContact CG2-CG 4.04Å; I11-W62 HydrophobicContact CG2-CH2 4.29Å; I11-W62 HydrophobicContact CG2-CZ2 4.16Å; I11-W62 HydrophobicContact CG2-CZ3 4.1Å
12L87.9Confident80.3Confident59 Ų59100.7 Ų100.731%0.30949%0.485SS..Hα-helixtrans-59.7-40.1178.4-72171.9000111.9E8 E9 M15 A16 W62E8-L12 HydrophobicContact CG-CD1 4.07Å; E8-L12 WeakPolarHBondContact O-CB 3.49Å; E8-L12 VanDerWaalsContact O-CG 3.31Å; E8-L12 WeakPolarHBondContact O-CG 3.5Å; E8-L12 PolarHBondContact O-N 3.35Å; E9-L12 PolarHBondContact O-N 3.32Å; L12-M15 PolarHBondContact O-N 3.1Å; L12-A16 PolarHBondContact O-N 3.18Å; L12-A16 VanDerWaalsContact O-N 3.1Å; L12-W62 HydrophobicContact CD2-CZ3 3.87Å; L12-W62 HydrophobicContact CG-CZ3 4.13Å
13N88.8Confident82.1Confident58 Ų5898.9 Ų98.931%0.3148%0.479SS..Hα-helixtrans-63.7-42.5173.9-171.939000111.8E9 R10 I11 M15 A16 D27 K31E9-N13 PolarHBondContact O-N 2.96Å; R10-N13 PolarHBondContact O-N 3.19Å; I11-N13 VanDerWaalsContact C-N 3.29Å; I11-N13 PolarHBondContact O-N 3.18Å; N13-M15 VanDerWaalsContact C-N 3.28Å; N13-M15 PolarHBondContact O-N 3.29Å; N13-A16 PolarHBondContact O-N 3.14Å; N13-D27 PolarHBondContact ND2-OD1 3.48Å; N13-K31 WeakPolarHBondContact O-CE 3.41Å; N13-K31 PolarHBondContact O-NZ 3.42Å
14L91Very high83.7Confident15 Ų1596.6 Ų96.68%0.07946%0.457CS..Hα-helixtrans-63-33.5175.8-70.7168.5000112V5 R10 I11 K31 F34 W35 C69V5-L14 HydrophobicContact CG2-CD1 4.45Å; R10-L14 HydrophobicContact CG-CD1 4.26Å; R10-L14 VanDerWaalsContact O-CG 3.28Å; R10-L14 WeakPolarHBondContact O-CG 3.44Å; R10-L14 PolarHBondContact O-N 3.31Å; I11-L14 CarbonylContact O-C 3.47Å; I11-L14 WeakPolarHBondContact O-CB 3.42Å; I11-L14 PolarHBondContact O-N 2.85Å; I11-L14 VanDerWaalsContact O-N 3.08Å; L14-K31 HydrophobicContact CD2-CB 4.33Å; L14-K31 HydrophobicContact CD2-CG 4.12Å; L14-K31 WeakPolarHBondContact O-CE 3.09Å; L14-F34 HydrophobicContact CB-CD1 4.42Å; L14-F34 HydrophobicContact CB-CE1 4.35Å; L14-F34 HydrophobicContact CD1-CD1 3.92Å; L14-F34 HydrophobicContact CD1-CD2 4.15Å; L14-F34 HydrophobicContact CD1-CE1 3.79Å; L14-F34 HydrophobicContact CD1-CE2 4.02Å; L14-F34 HydrophobicContact CD1-CG 4.1Å; L14-F34 HydrophobicContact CD1-CZ 3.83Å; L14-F34 HydrophobicContact CD2-CB 4.07Å; L14-F34 HydrophobicContact CD2-CD1 3.74Å; L14-F34 HydrophobicContact CD2-CE1 4.39Å; L14-F34 HydrophobicContact CD2-CG 3.88Å; L14-F34 HydrophobicContact CG-CD1 4.24Å; L14-F34 HydrophobicContact CG-CE1 4.4Å; L14-W35 PolarHBondContact O-NE1 3.18Å; L14-C69 PolarHBondContact O-SG 2.94Å
15M89.9Confident85.3Confident11 Ų1193.5 Ų93.55%0.05445%0.446CS..Hα-helixtrans-82.9-19.1-179.9-65.8179.284.600114.9I11 L12 N13 W35 W62 R65 P67 A68I11-M15 HydrophobicContact CG2-CG 4.19Å; I11-M15 HydrophobicContact CG2-SD 3.84Å; I11-M15 VanDerWaalsContact O-CG 3.32Å; I11-M15 WeakPolarHBondContact O-CG 3.49Å; I11-M15 PolarHBondContact O-N 3Å; L12-M15 PolarHBondContact O-N 3.1Å; N13-M15 VanDerWaalsContact C-N 3.28Å; N13-M15 PolarHBondContact O-N 3.29Å; M15-W35 HydrophobicContact CG-CZ2 4.37Å; M15-W62 HydrophobicContact CE-CB 3.75Å; M15-W62 HydrophobicContact SD-CB 3.79Å; M15-W62 HydrophobicContact SD-CD2 4.21Å; M15-W62 HydrophobicContact SD-CE3 3.69Å; M15-W62 HydrophobicContact SD-CG 4.3Å; M15-R65 HydrophobicContact CE-CB 3.78Å; M15-R65 WeakPolarHBondContact CE-O 3.19Å; M15-P67 HydrophobicContact CB-CB 4.38Å; M15-P67 HydrophobicContact CE-CG 4.05Å; M15-P67 HydrophobicContact CG-CB 4.33Å; M15-P67 HydrophobicContact CG-CG 4.44Å; M15-A68 PolarHBondContact O-N 3.32Å
16A91Very high86.8Confident43 Ų4397.4 Ų97.436%0.35547%0.47SS..SBendtrans-67.2168.7-177.800000112.4L12 N13 K31 C69L12-A16 PolarHBondContact O-N 3.18Å; L12-A16 VanDerWaalsContact O-N 3.1Å; N13-A16 PolarHBondContact O-N 3.14Å; A16-K31 WeakPolarHBondContact O-CE 3.28Å; A16-K31 PolarHBondContact O-NZ 3.35Å; A16-C69 VanDerWaalsContact O-CB 3.27Å; A16-C69 WeakPolarHBondContact O-CB 3.32Å
17K92.3Very high88.1Confident159 Ų15989 Ų8969%0.69144%0.435SS*.PPolyproline II helixtrans-62.1156170.3-66.1-176.9178.3-177.20111.2K31 A68K17-K31 PolarHBondContact O-NZ 2.97Å; K17-A68 HydrophobicContact CG-CB 3.9Å
18F91.4Very high88.8Confident31 Ų3186.1 Ų86.114%0.13642%0.419CS..PPolyproline II helixtrans-68.4141.1171.3-79.2-91.5000110.8Y28 K31 L32 C69 T72 V73F18-Y28 HydrophobicContact CB-CD2 4.19Å; F18-Y28 HydrophobicContact CB-CE2 3.76Å; F18-Y28 HydrophobicContact CD1-CD1 4.34Å; F18-Y28 AromaticContact CD1-CD2 3.37Å; F18-Y28 HydrophobicContact CD1-CD2 3.37Å; F18-Y28 HydrophobicContact CD1-CE1 4.34Å; F18-Y28 AromaticContact CD1-CE2 3.34Å; F18-Y28 HydrophobicContact CD1-CE2 3.34Å; F18-Y28 AromaticContact CD1-CG 3.88Å; F18-Y28 HydrophobicContact CD1-CG 3.88Å; F18-Y28 AromaticContact CD1-CZ 3.85Å; F18-Y28 HydrophobicContact CE1-CD1 4.3Å; F18-Y28 HydrophobicContact CE1-CD2 4.12Å; F18-Y28 HydrophobicContact CE1-CE1 4.32Å; F18-Y28 HydrophobicContact CE1-CE2 4.11Å; F18-Y28 HydrophobicContact CE1-CG 4.19Å; F18-Y28 WeakPolarHBondContact CE1-O 3.36Å; F18-Y28 HydrophobicContact CG-CD2 4.16Å; F18-Y28 AromaticContact CG-CE2 3.78Å; F18-Y28 HydrophobicContact CG-CE2 3.78Å; F18-K31 HydrophobicContact CD1-CD 4.14Å; F18-K31 HydrophobicContact CE1-CB 4.03Å; F18-K31 HydrophobicContact CE1-CD 3.91Å; F18-K31 HydrophobicContact CE1-CG 3.9Å; F18-K31 HydrophobicContact CZ-CB 4.47Å; F18-K31 HydrophobicContact CZ-CD 4.22Å; F18-K31 HydrophobicContact CZ-CG 3.97Å; F18-L32 HydrophobicContact CE1-CB 4.15Å; F18-L32 HydrophobicContact CZ-CB 4.11Å; F18-L32 HydrophobicContact CZ-CD1 4.26Å; F18-C69 HydrophobicContact CD2-CB 3.71Å; F18-C69 HydrophobicContact CE2-CB 3.6Å; F18-T72 HydrophobicContact CB-CG2 4.21Å; F18-T72 HydrophobicContact CD2-CG2 3.51Å; F18-T72 HydrophobicContact CE2-CG2 4.03Å; F18-T72 HydrophobicContact CG-CG2 4Å; F18-V73 HydrophobicContact CE2-CG2 3.67Å; F18-V73 HydrophobicContact CZ-CG2 3.97Å
19R87.9Confident89.3Confident180 Ų18084.6 Ų84.668%0.67941%0.413SS*.PPolyproline II helixtrans-84.5165.3164.9-63.5-179.8-176.4166.13108.9R21 Y28R19-R21 PolarHBondContact O-N 3.14Å; R19-Y28 WeakPolarHBondContact O-CD2 3.46Å
20L86.8Confident89.7Confident131 Ų13180.7 Ų80.769%0.68640%0.403SS*.PPolyproline II helixtrans-55.4128.2174.9-69.1171.7000110.2E22 V23L20-E22 PolarHBondContact O-N 3.48Å; L20-E22 VanDerWaalsContact O-N 3.15Å; L20-V23 HydrophobicContact CB-CG2 4.01Å; L20-V23 PolarHBondContact O-N 3.28Å
21R89.1Confident90Very high116 Ų11673.9 Ų73.944%0.43838%0.378SS..THydrogen-bonded Turntrans-57.4-30.8-178.1-169.6173.5-173.1-150-3.8112.4R19 V23 N24 P25 Y28 D29R19-R21 PolarHBondContact O-N 3.14Å; R21-V23 VanDerWaalsContact C-N 3.28Å; R21-V23 PolarHBondContact O-N 2.9Å; R21-N24 CarbonylContact O-C 3.54Å; R21-N24 PolarHBondContact O-N 3.33Å; R21-P25 HydrophobicContact CG-CB 4.44Å; R21-P25 VanDerWaalsContact O-CA 3.27Å; R21-P25 WeakPolarHBondContact O-CA 3.33Å; R21-P25 WeakPolarHBondContact O-CD 3.35Å; R21-Y28 HydrophobicContact CB-CD1 4.29Å; R21-Y28 HydrophobicContact CB-CD2 3.85Å; R21-Y28 HydrophobicContact CB-CE2 4.14Å; R21-Y28 HydrophobicContact CB-CG 3.96Å; R21-Y28 HydrophobicContact CG-CD1 3.84Å; R21-Y28 HydrophobicContact CG-CD2 4.22Å; R21-Y28 HydrophobicContact CG-CE1 4.34Å; R21-Y28 HydrophobicContact CG-CG 3.79Å; R21-D29 IonicContact CZ-OD1 3.28Å; R21-D29 VanDerWaalsContact CZ-OD1 3.28Å; R21-D29 IonicContact CZ-OD2 3.82Å; R21-D29 IonicContact NE-OD1 2.91Å; R21-D29 PolarHBondContact NE-OD1 3.39Å; R21-D29 IonicContact NE-OD2 3.85Å; R21-D29 VanDerWaalsContact NH2-CG 3.34Å; R21-D29 IonicContact NH2-OD1 2.96Å; R21-D29 PolarHBondContact NH2-OD1 2.92Å; R21-D29 IonicContact NH2-OD2 2.91Å; R21-D29 PolarHBondContact NH2-OD2 3.02Å
22E89.7Confident90.4Very high184 Ų18474.1 Ų74.186%0.8638%0.379SS*.THydrogen-bonded Turntrans-64.3-29.1177.3-63176.9-178.400113.6L20L20-E22 PolarHBondContact O-N 3.48Å; L20-E22 VanDerWaalsContact O-N 3.15Å
23V89Confident90.7Very high111 Ų11174 Ų7467%0.67339%0.387SS*.THydrogen-bonded Turntrans-78.7-37.3-177.4178.30000111L20 R21L20-V23 HydrophobicContact CB-CG2 4.01Å; L20-V23 PolarHBondContact O-N 3.28Å; R21-V23 VanDerWaalsContact C-N 3.28Å; R21-V23 PolarHBondContact O-N 2.9Å
24N87Confident91Very high70 Ų7073.3 Ų73.337%0.37438%0.381SS..  trans-153.886.7177.4-169.8-16.1000110.6R21 T26 D27 Y28R21-N24 CarbonylContact O-C 3.54Å; R21-N24 PolarHBondContact O-N 3.33Å; N24-T26 VanDerWaalsContact C-N 3.31Å; N24-T26 PolarHBondContact O-N 3.07Å; N24-T26 PolarHBondContact OD1-N 2.96Å; N24-D27 HydrophobicContact CB-CB 4.2Å; N24-D27 VanDerWaalsContact CG-CB 3.43Å; N24-D27 VanDerWaalsContact ND2-CB 3.32Å; N24-D27 WeakPolarHBondContact ND2-CB 3.34Å; N24-D27 PolarHBondContact OD1-N 3.14Å; N24-Y28 WeakPolarHBondContact O-CB 3.43Å; N24-Y28 PolarHBondContact O-N 2.92Å; N24-Y28 VanDerWaalsContact O-N 3.15Å
25P91.6Very high91.2Very high65 Ų6572.6 Ų72.642%0.42238%0.377SS..Hα-helixtrans-66.1-34.8-177.224.1-32.8000112R21 Y28 D29R21-P25 HydrophobicContact CG-CB 4.44Å; R21-P25 VanDerWaalsContact O-CA 3.27Å; R21-P25 WeakPolarHBondContact O-CA 3.33Å; R21-P25 WeakPolarHBondContact O-CD 3.35Å; P25-Y28 PolarHBondContact O-N 3.31Å; P25-D29 WeakPolarHBondContact O-CB 3.45Å; P25-D29 VanDerWaalsContact O-CG 3.23Å; P25-D29 PolarHBondContact O-N 3.27Å
26T90Very high91.4Very high101 Ų10174.4 Ų74.462%0.6239%0.385SS*.Hα-helixtrans-66.7-45.4-178.8-52.60000112.3N24 S30N24-T26 VanDerWaalsContact C-N 3.31Å; N24-T26 PolarHBondContact O-N 3.07Å; N24-T26 PolarHBondContact OD1-N 2.96Å; T26-S30 VanDerWaalsContact O-CB 3.23Å; T26-S30 WeakPolarHBondContact O-CB 3.49Å; T26-S30 PolarHBondContact O-N 3.35Å; T26-S30 PolarHBondContact O-OG 2.9Å
27D89Confident91.6Very high46 Ų4677.2 Ų77.225%0.24639%0.39CS..Hα-helixtrans-66.3-41.6176.1-179.473.4000111.4N13 N24 K31N13-D27 PolarHBondContact ND2-OD1 3.48Å; N24-D27 HydrophobicContact CB-CB 4.2Å; N24-D27 VanDerWaalsContact CG-CB 3.43Å; N24-D27 VanDerWaalsContact ND2-CB 3.32Å; N24-D27 WeakPolarHBondContact ND2-CB 3.34Å; N24-D27 PolarHBondContact OD1-N 3.14Å; D27-K31 WeakPolarHBondContact O-CB 3.47Å; D27-K31 PolarHBondContact O-N 2.69Å
28Y93Very high91.7Very high19 Ų1970.9 Ų70.98%0.07537%0.365CS..Hα-helixtrans-56.7-54.6174.9-170.5-79.4000111.4F18 R19 R21 N24 P25 S30 K31 L32 E76F18-Y28 HydrophobicContact CB-CD2 4.19Å; F18-Y28 HydrophobicContact CB-CE2 3.76Å; F18-Y28 HydrophobicContact CD1-CD1 4.34Å; F18-Y28 AromaticContact CD1-CD2 3.37Å; F18-Y28 HydrophobicContact CD1-CD2 3.37Å; F18-Y28 HydrophobicContact CD1-CE1 4.34Å; F18-Y28 AromaticContact CD1-CE2 3.34Å; F18-Y28 HydrophobicContact CD1-CE2 3.34Å; F18-Y28 AromaticContact CD1-CG 3.88Å; F18-Y28 HydrophobicContact CD1-CG 3.88Å; F18-Y28 AromaticContact CD1-CZ 3.85Å; F18-Y28 HydrophobicContact CE1-CD1 4.3Å; F18-Y28 HydrophobicContact CE1-CD2 4.12Å; F18-Y28 HydrophobicContact CE1-CE1 4.32Å; F18-Y28 HydrophobicContact CE1-CE2 4.11Å; F18-Y28 HydrophobicContact CE1-CG 4.19Å; F18-Y28 WeakPolarHBondContact CE1-O 3.36Å; F18-Y28 HydrophobicContact CG-CD2 4.16Å; F18-Y28 AromaticContact CG-CE2 3.78Å; F18-Y28 HydrophobicContact CG-CE2 3.78Å; R19-Y28 WeakPolarHBondContact O-CD2 3.46Å; R21-Y28 HydrophobicContact CB-CD1 4.29Å; R21-Y28 HydrophobicContact CB-CD2 3.85Å; R21-Y28 HydrophobicContact CB-CE2 4.14Å; R21-Y28 HydrophobicContact CB-CG 3.96Å; R21-Y28 HydrophobicContact CG-CD1 3.84Å; R21-Y28 HydrophobicContact CG-CD2 4.22Å; R21-Y28 HydrophobicContact CG-CE1 4.34Å; R21-Y28 HydrophobicContact CG-CG 3.79Å; N24-Y28 WeakPolarHBondContact O-CB 3.43Å; N24-Y28 PolarHBondContact O-N 2.92Å; N24-Y28 VanDerWaalsContact O-N 3.15Å; P25-Y28 PolarHBondContact O-N 3.31Å; Y28-S30 PolarHBondContact O-N 2.92Å; Y28-K31 PolarHBondContact O-N 3.42Å; Y28-L32 HydrophobicContact CE1-CD2 4.32Å; Y28-L32 WeakPolarHBondContact O-CB 3.3Å; Y28-L32 PolarHBondContact O-N 2.92Å; Y28-E76 PolarHBondContact OH-OE1 3.48Å
29D93.3Very high91.9Very high62 Ų6269.4 Ų69.433%0.33236%0.359SS..Hα-helixtrans-68.2-37.5-175.2-68.3-9000111.4R21 P25 L32 A33R21-D29 IonicContact CZ-OD1 3.28Å; R21-D29 VanDerWaalsContact CZ-OD1 3.28Å; R21-D29 IonicContact CZ-OD2 3.82Å; R21-D29 IonicContact NE-OD1 2.91Å; R21-D29 PolarHBondContact NE-OD1 3.39Å; R21-D29 IonicContact NE-OD2 3.85Å; R21-D29 VanDerWaalsContact NH2-CG 3.34Å; R21-D29 IonicContact NH2-OD1 2.96Å; R21-D29 PolarHBondContact NH2-OD1 2.92Å; R21-D29 IonicContact NH2-OD2 2.91Å; R21-D29 PolarHBondContact NH2-OD2 3.02Å; P25-D29 WeakPolarHBondContact O-CB 3.45Å; P25-D29 VanDerWaalsContact O-CG 3.23Å; P25-D29 PolarHBondContact O-N 3.27Å; D29-L32 PolarHBondContact O-N 3.11Å; D29-A33 VanDerWaalsContact O-CB 3.29Å; D29-A33 WeakPolarHBondContact O-CB 3.49Å; D29-A33 PolarHBondContact O-N 3.18Å
30S92Very high92.3Very high72 Ų7262.3 Ų62.350%0.50333%0.333SS..Hα-helixtrans-64.9-42.9175.9-58.90000112.1T26 Y28 A33 F34T26-S30 VanDerWaalsContact O-CB 3.23Å; T26-S30 WeakPolarHBondContact O-CB 3.49Å; T26-S30 PolarHBondContact O-N 3.35Å; T26-S30 PolarHBondContact O-OG 2.9Å; Y28-S30 PolarHBondContact O-N 2.92Å; S30-A33 PolarHBondContact O-N 3.41Å; S30-F34 WeakPolarHBondContact O-CB 3.42Å; S30-F34 PolarHBondContact O-N 3.39Å
31K93.7Very high92.7Very high5 Ų559.8 Ų59.82%0.02232%0.32CS..Hα-helixtrans-66.2-42.9176.6-179.6174.9-179.8163.30111.5N13 L14 A16 K17 F18 D27 Y28 F34 W35N13-K31 WeakPolarHBondContact O-CE 3.41Å; N13-K31 PolarHBondContact O-NZ 3.42Å; L14-K31 HydrophobicContact CD2-CB 4.33Å; L14-K31 HydrophobicContact CD2-CG 4.12Å; L14-K31 WeakPolarHBondContact O-CE 3.09Å; A16-K31 WeakPolarHBondContact O-CE 3.28Å; A16-K31 PolarHBondContact O-NZ 3.35Å; K17-K31 PolarHBondContact O-NZ 2.97Å; F18-K31 HydrophobicContact CD1-CD 4.14Å; F18-K31 HydrophobicContact CE1-CB 4.03Å; F18-K31 HydrophobicContact CE1-CD 3.91Å; F18-K31 HydrophobicContact CE1-CG 3.9Å; F18-K31 HydrophobicContact CZ-CB 4.47Å; F18-K31 HydrophobicContact CZ-CD 4.22Å; F18-K31 HydrophobicContact CZ-CG 3.97Å; D27-K31 WeakPolarHBondContact O-CB 3.47Å; D27-K31 PolarHBondContact O-N 2.69Å; Y28-K31 PolarHBondContact O-N 3.42Å; K31-F34 PolarHBondContact O-N 3.01Å; K31-W35 PolarHBondContact O-N 3.49Å; K31-W35 VanDerWaalsContact O-N 3.12Å
32L94.1Very high93Very high18 Ų1856.6 Ų56.69%0.09431%0.309CS..Hα-helixtrans-62-46.1176-17863000111.1F18 Y28 D29 F34 W35 K36 V73 E76F18-L32 HydrophobicContact CE1-CB 4.15Å; F18-L32 HydrophobicContact CZ-CB 4.11Å; F18-L32 HydrophobicContact CZ-CD1 4.26Å; Y28-L32 HydrophobicContact CE1-CD2 4.32Å; Y28-L32 WeakPolarHBondContact O-CB 3.3Å; Y28-L32 PolarHBondContact O-N 2.92Å; D29-L32 PolarHBondContact O-N 3.11Å; L32-F34 PolarHBondContact O-N 2.75Å; L32-W35 PolarHBondContact O-N 3.43Å; L32-K36 HydrophobicContact CD1-CG 4.41Å; L32-K36 HydrophobicContact CG-CD 4.39Å; L32-K36 HydrophobicContact CG-CG 4.5Å; L32-K36 WeakPolarHBondContact O-CB 3.43Å; L32-K36 WeakPolarHBondContact O-CG 3.46Å; L32-K36 PolarHBondContact O-N 3.01Å; L32-V73 HydrophobicContact CD1-CB 4.31Å; L32-V73 HydrophobicContact CD1-CG1 4.04Å; L32-V73 HydrophobicContact CD1-CG2 4.29Å; L32-E76 HydrophobicContact CD1-CB 3.86Å; L32-E76 HydrophobicContact CD1-CG 4.36Å; L32-E76 HydrophobicContact CD2-CB 4.08Å; L32-E76 HydrophobicContact CD2-CG 4.34Å
33A94.3Very high93.3Very high57 Ų5747.9 Ų47.947%0.47127%0.268SS..Hα-helixtrans-60.3-43.717700000112.1D29 S30 W35 K36 Q37D29-A33 VanDerWaalsContact O-CB 3.29Å; D29-A33 WeakPolarHBondContact O-CB 3.49Å; D29-A33 PolarHBondContact O-N 3.18Å; S30-A33 PolarHBondContact O-N 3.41Å; A33-W35 PolarHBondContact O-N 2.94Å; A33-K36 PolarHBondContact O-N 3.48Å; A33-Q37 WeakPolarHBondContact O-CB 3.41Å; A33-Q37 PolarHBondContact O-N 2.93Å
34F94.4Very high93.5Very high44 Ų4445 Ų4519%0.19325%0.25CS..Hα-helixtrans-56.6-48.6175.6172.3-92.8000112.1L14 S30 K31 L32 Q37 T38L14-F34 HydrophobicContact CB-CD1 4.42Å; L14-F34 HydrophobicContact CB-CE1 4.35Å; L14-F34 HydrophobicContact CD1-CD1 3.92Å; L14-F34 HydrophobicContact CD1-CD2 4.15Å; L14-F34 HydrophobicContact CD1-CE1 3.79Å; L14-F34 HydrophobicContact CD1-CE2 4.02Å; L14-F34 HydrophobicContact CD1-CG 4.1Å; L14-F34 HydrophobicContact CD1-CZ 3.83Å; L14-F34 HydrophobicContact CD2-CB 4.07Å; L14-F34 HydrophobicContact CD2-CD1 3.74Å; L14-F34 HydrophobicContact CD2-CE1 4.39Å; L14-F34 HydrophobicContact CD2-CG 3.88Å; L14-F34 HydrophobicContact CG-CD1 4.24Å; L14-F34 HydrophobicContact CG-CE1 4.4Å; S30-F34 WeakPolarHBondContact O-CB 3.42Å; S30-F34 PolarHBondContact O-N 3.39Å; K31-F34 PolarHBondContact O-N 3.01Å; L32-F34 PolarHBondContact O-N 2.75Å; F34-Q37 PolarHBondContact O-N 2.91Å; F34-T38 WeakPolarHBondContact O-CB 3.38Å; F34-T38 PolarHBondContact O-N 3.17Å; F34-T38 PolarHBondContact O-OG1 3.26Å
35W95.2Very high93.8Very high0 Ų050.4 Ų50.40%027%0.271CS..Hα-helixtrans-71.5-38-179.4-76110.3000112.9M1 L14 M15 K31 L32 A33 Q37 T38 I39 F60 P67 C69 L70 V73M1-W35 HydrophobicContact CE-CH2 3.28Å; M1-W35 HydrophobicContact CE-CZ2 4.29Å; M1-W35 HydrophobicContact CE-CZ3 3.45Å; M1-W35 VanDerWaalsContact CE-CZ3 3.45Å; L14-W35 PolarHBondContact O-NE1 3.18Å; M15-W35 HydrophobicContact CG-CZ2 4.37Å; K31-W35 PolarHBondContact O-N 3.49Å; K31-W35 VanDerWaalsContact O-N 3.12Å; L32-W35 PolarHBondContact O-N 3.43Å; A33-W35 PolarHBondContact O-N 2.94Å; W35-Q37 VanDerWaalsContact C-N 3.32Å; W35-Q37 PolarHBondContact O-N 3.39Å; W35-T38 HydrophobicContact CE3-CG2 4.39Å; W35-T38 HydrophobicContact CZ3-CG2 4.4Å; W35-T38 PolarHBondContact O-N 3.5Å; W35-I39 VanDerWaalsContact O-CG1 3.25Å; W35-I39 WeakPolarHBondContact O-CG1 3.38Å; W35-I39 PolarHBondContact O-N 3.39Å; W35-F60 HydrophobicContact CE3-CD2 4.44Å; W35-F60 HydrophobicContact CZ3-CB 4.18Å; W35-F60 AromaticContact CZ3-CD2 3.86Å; W35-F60 HydrophobicContact CZ3-CD2 3.86Å; W35-F60 HydrophobicContact CZ3-CE2 4.48Å; W35-F60 HydrophobicContact CZ3-CG 4.12Å; W35-P67 HydrophobicContact CH2-CB 3.43Å; W35-P67 VanDerWaalsContact CH2-CB 3.43Å; W35-P67 HydrophobicContact CH2-CG 3.22Å; W35-P67 HydrophobicContact CZ2-CB 3.55Å; W35-P67 HydrophobicContact CZ2-CG 3.87Å; W35-P67 HydrophobicContact CZ3-CB 4.2Å; W35-P67 HydrophobicContact CZ3-CG 3.9Å; W35-C69 PolarHBondContact NE1-SG 3.3Å; W35-L70 HydrophobicContact CD2-CD2 4.3Å; W35-L70 HydrophobicContact CE3-CD2 3.77Å; W35-L70 HydrophobicContact CZ3-CD2 4.03Å; W35-V73 HydrophobicContact CB-CB 4.41Å; W35-V73 HydrophobicContact CB-CG1 3.89Å; W35-V73 HydrophobicContact CB-CG2 3.65Å; W35-V73 HydrophobicContact CG-CG2 3.96Å
36K95.3Very high94Very high48 Ų4851.6 Ų51.621%0.20927%0.267CS..Hα-helixtrans-57.5-46.3172.7-75.8-172-179.2-165.40111.2L32 A33 I39 H40 M77 D82L32-K36 HydrophobicContact CD1-CG 4.41Å; L32-K36 HydrophobicContact CG-CD 4.39Å; L32-K36 HydrophobicContact CG-CG 4.5Å; L32-K36 WeakPolarHBondContact O-CB 3.43Å; L32-K36 WeakPolarHBondContact O-CG 3.46Å; L32-K36 PolarHBondContact O-N 3.01Å; A33-K36 PolarHBondContact O-N 3.48Å; K36-I39 PolarHBondContact O-N 3.02Å; K36-H40 WeakPolarHBondContact O-CB 3.39Å; K36-H40 PolarHBondContact O-N 3.11Å; K36-M77 HydrophobicContact CD-CG 4.23Å; K36-M77 HydrophobicContact CG-CG 3.95Å; K36-M77 HydrophobicContact CG-SD 4.1Å; K36-D82 IonicContact NZ-OD2 2.65Å; K36-D82 PolarHBondContact NZ-OD2 3.15Å
37Q95.1Very high94.2Very high102 Ų10250 Ų5048%0.47725%0.251SS..Hα-helixtrans-64.5-40.8176.1-170.562.14200111.9A33 F34 W35 I39 H40 D41A33-Q37 WeakPolarHBondContact O-CB 3.41Å; A33-Q37 PolarHBondContact O-N 2.93Å; F34-Q37 PolarHBondContact O-N 2.91Å; W35-Q37 VanDerWaalsContact C-N 3.32Å; W35-Q37 PolarHBondContact O-N 3.39Å; Q37-I39 PolarHBondContact O-N 3.25Å; Q37-H40 PolarHBondContact NE2-ND1 2.96Å; Q37-H40 WeakPolarHBondContact O-CB 3.28Å; Q37-H40 PolarHBondContact O-N 3.47Å; Q37-D41 PolarHBondContact NE2-OD1 3.25Å; Q37-D41 WeakPolarHBondContact O-CB 3.43Å; Q37-D41 PolarHBondContact O-N 3.34Å
38T94.7Very high94.5Very high26 Ų2648.1 Ų48.116%0.1624%0.242CC..Hα-helixtrans-63.9-42.1178.7-57.60000111.8M1 F34 W35 Y42 F60M1-T38 HydrophobicContact CE-CG2 4.26Å; F34-T38 WeakPolarHBondContact O-CB 3.38Å; F34-T38 PolarHBondContact O-N 3.17Å; F34-T38 PolarHBondContact O-OG1 3.26Å; W35-T38 HydrophobicContact CE3-CG2 4.39Å; W35-T38 HydrophobicContact CZ3-CG2 4.4Å; W35-T38 PolarHBondContact O-N 3.5Å; T38-Y42 VanDerWaalsContact O-CB 3.29Å; T38-Y42 WeakPolarHBondContact O-CB 3.44Å; T38-Y42 PolarHBondContact O-N 2.91Å; T38-F60 HydrophobicContact CG2-CD1 4.28Å; T38-F60 HydrophobicContact CG2-CE1 3.81Å; T38-F60 HydrophobicContact CG2-CE2 4.32Å; T38-F60 HydrophobicContact CG2-CZ 3.83Å
39I95.8Very high94.6Very high0 Ų047.2 Ų47.20%024%0.238CC..Hα-helixtrans-64.7-44.1174.6-66.2165.3000109.9W35 K36 Q37 Y42 C43 F51 L56 F60 V73 M77 F131W35-I39 VanDerWaalsContact O-CG1 3.25Å; W35-I39 WeakPolarHBondContact O-CG1 3.38Å; W35-I39 PolarHBondContact O-N 3.39Å; K36-I39 PolarHBondContact O-N 3.02Å; Q37-I39 PolarHBondContact O-N 3.25Å; I39-Y42 WeakPolarHBondContact O-CB 3.48Å; I39-Y42 PolarHBondContact O-N 2.97Å; I39-C43 WeakPolarHBondContact O-CB 3.45Å; I39-C43 PolarHBondContact O-N 3.03Å; I39-C43 PolarHBondContact O-SG 3.24Å; I39-F51 HydrophobicContact CG2-CD1 4.48Å; I39-F51 HydrophobicContact CG2-CG 4.48Å; I39-L56 HydrophobicContact CD1-CD1 3.7Å; I39-L56 HydrophobicContact CG1-CD1 3.83Å; I39-L56 HydrophobicContact CG1-CD2 4.17Å; I39-L56 HydrophobicContact CG2-CD1 4.36Å; I39-L56 HydrophobicContact CG2-CD2 4.24Å; I39-F60 HydrophobicContact CG1-CE2 4.11Å; I39-V73 HydrophobicContact CD1-CG1 3.75Å; I39-M77 HydrophobicContact CD1-SD 3.96Å; I39-F131 HydrophobicContact CG2-CD2 4.16Å; I39-F131 HydrophobicContact CG2-CE2 4.01Å
40H95.9Very high94.6Very high31 Ų3144.8 Ų44.814%0.14423%0.225CC..Hα-helixtrans-56.3-53.6176172.2-83.9000111.6K36 Q37 Y42 C43 V44 F131 E137K36-H40 WeakPolarHBondContact O-CB 3.39Å; K36-H40 PolarHBondContact O-N 3.11Å; Q37-H40 PolarHBondContact NE2-ND1 2.96Å; Q37-H40 WeakPolarHBondContact O-CB 3.28Å; Q37-H40 PolarHBondContact O-N 3.47Å; H40-Y42 VanDerWaalsContact C-N 3.26Å; H40-Y42 PolarHBondContact O-N 3.5Å; H40-C43 PolarHBondContact O-N 3.5Å; H40-C43 VanDerWaalsContact O-N 3.16Å; H40-V44 WeakPolarHBondContact O-CG2 3.27Å; H40-V44 PolarHBondContact O-N 3.01Å; H40-F131 HydrophobicContact CB-CE2 3.83Å; H40-F131 HydrophobicContact CB-CZ 4.08Å; H40-E137 IonicContact NE2-OE1 2.84Å; H40-E137 IonicContact NE2-OE2 3.74Å
41D95.3Very high94.7Very high78 Ų7841.3 Ų41.342%0.41720%0.201SC..Hα-helixtrans-62.5-35.5-178.7-64.3-13.9000111.8Q37 K45Q37-D41 PolarHBondContact NE2-OD1 3.25Å; Q37-D41 WeakPolarHBondContact O-CB 3.43Å; Q37-D41 PolarHBondContact O-N 3.34Å; D41-K45 VanDerWaalsContact O-CB 3.29Å; D41-K45 WeakPolarHBondContact O-CB 3.45Å; D41-K45 PolarHBondContact O-N 3.36Å
42Y95.1Very high94.8Very high50 Ų5041.3 Ų41.320%0.19620%0.202CC..Hα-helixtrans-63.1-49.4173.7175-103.6000112.1T38 I39 H40 K45 R46 E55 L56 A59 F60T38-Y42 VanDerWaalsContact O-CB 3.29Å; T38-Y42 WeakPolarHBondContact O-CB 3.44Å; T38-Y42 PolarHBondContact O-N 2.91Å; I39-Y42 WeakPolarHBondContact O-CB 3.48Å; I39-Y42 PolarHBondContact O-N 2.97Å; H40-Y42 VanDerWaalsContact C-N 3.26Å; H40-Y42 PolarHBondContact O-N 3.5Å; Y42-K45 PolarHBondContact O-N 3.29Å; Y42-R46 VanDerWaalsContact CE1-CD 3.49Å; Y42-R46 HydrophobicContact CE2-CG 4.37Å; Y42-R46 PolarHBondContact O-N 3.4Å; Y42-R46 VanDerWaalsContact OH-CD 3.24Å; Y42-R46 WeakPolarHBondContact OH-CD 3.41Å; Y42-E55 WeakPolarHBondContact CE1-OE1 3.18Å; Y42-E55 VanDerWaalsContact CZ-OE1 3.29Å; Y42-E55 PolarHBondContact OH-OE1 2.92Å; Y42-L56 HydrophobicContact CD1-CD2 3.95Å; Y42-L56 HydrophobicContact CE1-CD2 4.1Å; Y42-A59 HydrophobicContact CD2-CB 4.17Å; Y42-A59 HydrophobicContact CE1-CB 4.3Å; Y42-A59 HydrophobicContact CE2-CB 3.45Å; Y42-A59 VanDerWaalsContact CE2-CB 3.45Å; Y42-F60 HydrophobicContact CD1-CZ 4.3Å; Y42-F60 HydrophobicContact CD2-CE1 4Å; Y42-F60 HydrophobicContact CD2-CZ 4.24Å; Y42-F60 HydrophobicContact CG-CE1 4.04Å; Y42-F60 AromaticContact CG-CZ 3.82Å; Y42-F60 HydrophobicContact CG-CZ 3.82Å
43C95.1Very high94.7Very high0 Ų041.5 Ų41.50%020%0.203CC..Hα-helixtrans-63.8-42178-68.80000112.1I39 H40 R46 K47 C48 L134I39-C43 WeakPolarHBondContact O-CB 3.45Å; I39-C43 PolarHBondContact O-N 3.03Å; I39-C43 PolarHBondContact O-SG 3.24Å; H40-C43 PolarHBondContact O-N 3.5Å; H40-C43 VanDerWaalsContact O-N 3.16Å; C43-R46 CarbonylContact O-C 3.54Å; C43-R46 PolarHBondContact O-N 2.9Å; C43-K47 PolarHBondContact O-N 3.21Å; C43-C48 CarbonylContact C-O 3.6Å; C43-C48 WeakPolarHBondContact CA-O 3.24Å; C43-C48 WeakPolarHBondContact CB-O 3.24Å; C43-C48 PolarHBondContact O-N 3.03Å; C43-L134 HydrophobicContact CB-CD2 3.31Å
44V94.4Very high94.7Very high50 Ų5043.7 Ų43.730%0.30320%0.204SC..Hα-helixtrans-59.7-47.4173.7170.60000111.1H40 R46 K47 L134H40-V44 WeakPolarHBondContact O-CG2 3.27Å; H40-V44 PolarHBondContact O-N 3.01Å; V44-R46 VanDerWaalsContact C-N 3.28Å; V44-R46 PolarHBondContact O-N 2.84Å; V44-K47 PolarHBondContact O-N 2.96Å; V44-L134 HydrophobicContact CG2-CD1 3.56Å; V44-L134 HydrophobicContact CG2-CD2 4.36Å
45K93.6Very high94.6Very high184 Ų18443.3 Ų43.380%0.820%0.203SC*.Hα-helixtrans-61.8-38179.3-176.1-178.2178.1-174.20111.9D41 Y42 K47D41-K45 VanDerWaalsContact O-CB 3.29Å; D41-K45 WeakPolarHBondContact O-CB 3.45Å; D41-K45 PolarHBondContact O-N 3.36Å; Y42-K45 PolarHBondContact O-N 3.29Å; K45-K47 VanDerWaalsContact C-N 3.25Å; K45-K47 PolarHBondContact O-N 3.23Å
46R94Very high94.5Very high91 Ų9143.3 Ų43.334%0.34320%0.203SC..Hα-helixtrans-76-12.2175.5-75.2-178.163.3-13012.5113.6Y42 C43 V44 C48 L50 E55 S175Y42-R46 VanDerWaalsContact CE1-CD 3.49Å; Y42-R46 HydrophobicContact CE2-CG 4.37Å; Y42-R46 PolarHBondContact O-N 3.4Å; Y42-R46 VanDerWaalsContact OH-CD 3.24Å; Y42-R46 WeakPolarHBondContact OH-CD 3.41Å; C43-R46 CarbonylContact O-C 3.54Å; C43-R46 PolarHBondContact O-N 2.9Å; V44-R46 VanDerWaalsContact C-N 3.28Å; V44-R46 PolarHBondContact O-N 2.84Å; R46-C48 HydrophobicContact CB-CB 4.11Å; R46-C48 PolarHBondContact O-N 2.88Å; R46-L50 PolarHBondContact NH1-O 3.33Å; R46-E55 IonicContact CZ-OE1 2.77Å; R46-E55 IonicContact CZ-OE2 2.89Å; R46-E55 IonicContact NE-OE1 3.75Å; R46-E55 PolarHBondContact NE-OE1 3.43Å; R46-E55 IonicContact NH1-OE1 3.64Å; R46-E55 PolarHBondContact NH1-OE1 3.24Å; R46-E55 IonicContact NH1-OE2 3.45Å; R46-E55 PolarHBondContact NH1-OE2 3.29Å; R46-E55 IonicContact NH2-OE1 2.65Å; R46-E55 PolarHBondContact NH2-OE1 3.45Å; R46-E55 VanDerWaalsContact NH2-OE1 3.15Å; R46-E55 IonicContact NH2-OE2 2.71Å; R46-S175 PolarHBondContact O-OG 3.41Å
47K94.6Very high94.4Very high66 Ų6644 Ų4429%0.28721%0.206SC..THydrogen-bonded Turntrans56.634.9-171.2-56.5178.5-179.1-166.80111.5C43 V44 K45 D172 I173 C174 S175C43-K47 PolarHBondContact O-N 3.21Å; V44-K47 PolarHBondContact O-N 2.96Å; K45-K47 VanDerWaalsContact C-N 3.25Å; K45-K47 PolarHBondContact O-N 3.23Å; K47-D172 VanDerWaalsContact CD-O 3.23Å; K47-D172 WeakPolarHBondContact CD-O 3.32Å; K47-D172 WeakPolarHBondContact CE-O 3.36Å; K47-D172 VanDerWaalsContact NZ-CA 3.33Å; K47-D172 PolarHBondContact NZ-O 3.27Å; K47-D172 IonicContact NZ-OD1 2.96Å; K47-D172 PolarHBondContact NZ-OD1 3.48Å; K47-I173 WeakPolarHBondContact CB-O 3.49Å; K47-C174 CarbonylContact O-C 3.55Å; K47-C174 WeakPolarHBondContact O-CA 3.01Å; K47-S175 PolarHBondContact O-N 2.67Å; K47-S175 PolarHBondContact O-OG 3.46Å
48C94.8Very high94.3Very high8 Ų845.2 Ų45.25%0.05421%0.211CC..  trans-137123.8-173.7179.20000108.9C43 R46 L50 D176C43-C48 CarbonylContact C-O 3.6Å; C43-C48 WeakPolarHBondContact CA-O 3.24Å; C43-C48 WeakPolarHBondContact CB-O 3.24Å; C43-C48 PolarHBondContact O-N 3.03Å; R46-C48 HydrophobicContact CB-CB 4.11Å; R46-C48 PolarHBondContact O-N 2.88Å; C48-L50 VanDerWaalsContact C-N 3.3Å; C48-L50 PolarHBondContact SG-N 3.45Å; C48-L50 PolarHBondContact SG-O 3.39Å; C48-D176 VanDerWaalsContact CA-OD1 3.3Å; C48-D176 WeakPolarHBondContact CA-OD1 3.33Å; C48-D176 WeakPolarHBondContact CB-OD1 2.94Å; C48-D176 PolarHBondContact SG-OD1 2.95Å
49A95.1Very high94.1Very high0 Ų045.7 Ų45.70%022%0.218CC..  trans-90.92.9179.500000112.9F131 L134 I135 F138 T179A49-F131 PolarHBondContact O-N 3.44Å; A49-L134 HydrophobicContact CB-CB 4.34Å; A49-L134 HydrophobicContact CB-CD2 4.14Å; A49-L134 HydrophobicContact CB-CG 4.17Å; A49-I135 HydrophobicContact CB-CD1 3.43Å; A49-I135 VanDerWaalsContact CB-CD1 3.43Å; A49-I135 HydrophobicContact CB-CG1 3.8Å; A49-F138 HydrophobicContact CB-CD2 4.15Å; A49-F138 HydrophobicContact CB-CE2 4.01Å; A49-T179 HydrophobicContact CB-CG2 3.83Å; A49-T179 PolarHBondContact N-OG1 2.85Å; A49-T179 VanDerWaalsContact N-OG1 3.11Å
50L94.5Very high93.9Very high10 Ų1046.5 Ų46.55%0.05222%0.221CC..EExtended strand (participates in β ladder)trans-96.3138.3175.3-56.2179.2000110.4R46 C48 I86 Y129 V130 T178 L182R46-L50 PolarHBondContact NH1-O 3.33Å; C48-L50 VanDerWaalsContact C-N 3.3Å; C48-L50 PolarHBondContact SG-N 3.45Å; C48-L50 PolarHBondContact SG-O 3.39Å; L50-I86 HydrophobicContact CD2-CG1 4.49Å; L50-Y129 WeakPolarHBondContact CA-O 3.5Å; L50-V130 HydrophobicContact CD2-CB 4.4Å; L50-V130 HydrophobicContact CD2-CG2 3.76Å; L50-T178 HydrophobicContact CD1-CG2 3.66Å; L50-L182 HydrophobicContact CD2-CD1 4.18Å
51F94.8Very high93.6Very high0 Ų048.5 Ų48.50%024%0.237CC..EExtended strand (participates in β ladder)trans-149.8158.2173.965.4-86.2000110.7I39 L56 V74 M77 A83 Y129 F131I39-F51 HydrophobicContact CG2-CD1 4.48Å; I39-F51 HydrophobicContact CG2-CG 4.48Å; F51-L56 HydrophobicContact CB-CD2 4.32Å; F51-L56 HydrophobicContact CD2-CD1 3.72Å; F51-L56 HydrophobicContact CD2-CG 4.24Å; F51-L56 HydrophobicContact CE2-CD1 4.17Å; F51-V74 HydrophobicContact CE2-CG1 4.28Å; F51-V74 HydrophobicContact CE2-CG2 3.95Å; F51-M77 HydrophobicContact CZ-CE 4.05Å; F51-A83 HydrophobicContact CZ-CB 3.93Å; F51-Y129 HydrophobicContact CE2-CD2 4.23Å; F51-Y129 HydrophobicContact CE2-CG 4.3Å; F51-Y129 HydrophobicContact CZ-CG 4.45Å; F51-Y129 PolarHBondContact N-O 2.93Å; F51-Y129 PolarHBondContact O-N 3.07Å; F51-F131 HydrophobicContact CD1-CB 4.23Å; F51-F131 HydrophobicContact CE1-CB 3.81Å; F51-F131 HydrophobicContact CE1-CD2 4.11Å; F51-F131 HydrophobicContact CE1-CG 4.19Å
52S94.3Very high93.2Very high5 Ų545.9 Ų45.94%0.03522%0.221CC..  trans-128.7161.6172.873.50000110.4Q54 E55 L56 E126S52-Q54 VanDerWaalsContact C-N 3.33Å; S52-Q54 PolarHBondContact O-N 2.72Å; S52-E55 PolarHBondContact O-N 3.48Å; S52-E55 VanDerWaalsContact OG-CB 3.25Å; S52-E55 WeakPolarHBondContact OG-CB 3.26Å; S52-E55 PolarHBondContact OG-N 3.39Å; S52-L56 WeakPolarHBondContact O-CG 3.5Å; S52-L56 PolarHBondContact O-N 2.97Å; S52-L56 VanDerWaalsContact O-N 3.14Å; S52-E126 WeakPolarHBondContact CB-OE1 3.45Å; S52-E126 VanDerWaalsContact CB-OE2 3.28Å; S52-E126 WeakPolarHBondContact CB-OE2 3.48Å; S52-E126 PolarHBondContact OG-OE1 2.82Å; S52-E126 PolarHBondContact OG-OE2 3.28Å
53V93.5Very high92.8Very high21 Ų2149.9 Ų49.913%0.12724%0.24CC..Hα-helixtrans-67.5-37.5-175.2178.50000111.1L56 K57 D71 V74 E126 Y129V53-L56 PolarHBondContact O-N 3.37Å; V53-K57 HydrophobicContact CG1-CD 4.24Å; V53-K57 VanDerWaalsContact O-CG 3.3Å; V53-K57 WeakPolarHBondContact O-CG 3.44Å; V53-K57 PolarHBondContact O-N 3.16Å; V53-K57 VanDerWaalsContact O-N 3.07Å; V53-D71 WeakPolarHBondContact CG1-OD1 3.41Å; V53-V74 HydrophobicContact CG2-CB 4.08Å; V53-V74 HydrophobicContact CG2-CG1 4.05Å; V53-V74 HydrophobicContact CG2-CG2 3.99Å; V53-E126 PolarHBondContact N-OE1 3Å; V53-Y129 HydrophobicContact CG2-CE2 4.19Å
54Q92.2Very high92.4Very high103 Ų10353.7 Ų53.748%0.48128%0.279SS..Hα-helixtrans-65.5-43.4176.3-170.4-176.9-30.800110.8S52 L56 K57 E58 E126S52-Q54 VanDerWaalsContact C-N 3.33Å; S52-Q54 PolarHBondContact O-N 2.72Å; Q54-L56 VanDerWaalsContact C-N 3.3Å; Q54-L56 PolarHBondContact O-N 2.96Å; Q54-K57 WeakPolarHBondContact O-CA 3.31Å; Q54-K57 WeakPolarHBondContact O-CB 3.45Å; Q54-K57 PolarHBondContact O-N 3.31Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.39Å; Q54-E58 PolarHBondContact NE2-OE1 3.22Å; Q54-E58 WeakPolarHBondContact O-CG 3.39Å; Q54-E58 PolarHBondContact O-N 3.31Å; Q54-E126 WeakPolarHBondContact CA-OE1 3.44Å; Q54-E126 HydrophobicContact CB-CG 4.5Å; Q54-E126 WeakPolarHBondContact CB-OE1 3.42Å; Q54-E126 PolarHBondContact N-OE1 3.26Å
55E92.8Very high92Very high36 Ų3659 Ų5917%0.16829%0.293CS..Hα-helixtrans-58.3-44.4177.1-165.8-157.3151.100111.2Y42 R46 S52 K57 E58 A59Y42-E55 WeakPolarHBondContact CE1-OE1 3.18Å; Y42-E55 VanDerWaalsContact CZ-OE1 3.29Å; Y42-E55 PolarHBondContact OH-OE1 2.92Å; R46-E55 IonicContact CZ-OE1 2.77Å; R46-E55 IonicContact CZ-OE2 2.89Å; R46-E55 IonicContact NE-OE1 3.75Å; R46-E55 PolarHBondContact NE-OE1 3.43Å; R46-E55 IonicContact NH1-OE1 3.64Å; R46-E55 PolarHBondContact NH1-OE1 3.24Å; R46-E55 IonicContact NH1-OE2 3.45Å; R46-E55 PolarHBondContact NH1-OE2 3.29Å; R46-E55 IonicContact NH2-OE1 2.65Å; R46-E55 PolarHBondContact NH2-OE1 3.45Å; R46-E55 VanDerWaalsContact NH2-OE1 3.15Å; R46-E55 IonicContact NH2-OE2 2.71Å; S52-E55 PolarHBondContact O-N 3.48Å; S52-E55 VanDerWaalsContact OG-CB 3.25Å; S52-E55 WeakPolarHBondContact OG-CB 3.26Å; S52-E55 PolarHBondContact OG-N 3.39Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.36Å; E55-E58 PolarHBondContact O-N 2.99Å; E55-A59 VanDerWaalsContact O-CB 3.28Å; E55-A59 WeakPolarHBondContact O-CB 3.41Å; E55-A59 PolarHBondContact O-N 3.25Å
56L94.1Very high91.9Very high0 Ų053.7 Ų53.70%028%0.276CS..Hα-helixtrans-64.5-34.9176.2-61179.2000112.2I39 Y42 F51 S52 V53 Q54 E58 A59 F60 L70 V74I39-L56 HydrophobicContact CD1-CD1 3.7Å; I39-L56 HydrophobicContact CG1-CD1 3.83Å; I39-L56 HydrophobicContact CG1-CD2 4.17Å; I39-L56 HydrophobicContact CG2-CD1 4.36Å; I39-L56 HydrophobicContact CG2-CD2 4.24Å; Y42-L56 HydrophobicContact CD1-CD2 3.95Å; Y42-L56 HydrophobicContact CE1-CD2 4.1Å; F51-L56 HydrophobicContact CB-CD2 4.32Å; F51-L56 HydrophobicContact CD2-CD1 3.72Å; F51-L56 HydrophobicContact CD2-CG 4.24Å; F51-L56 HydrophobicContact CE2-CD1 4.17Å; S52-L56 WeakPolarHBondContact O-CG 3.5Å; S52-L56 PolarHBondContact O-N 2.97Å; S52-L56 VanDerWaalsContact O-N 3.14Å; V53-L56 PolarHBondContact O-N 3.37Å; Q54-L56 VanDerWaalsContact C-N 3.3Å; Q54-L56 PolarHBondContact O-N 2.96Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-A59 PolarHBondContact O-N 2.74Å; L56-F60 HydrophobicContact CB-CD2 4.14Å; L56-F60 HydrophobicContact CB-CE2 4.05Å; L56-F60 HydrophobicContact CD2-CE2 3.72Å; L56-F60 HydrophobicContact CD2-CZ 4.18Å; L56-F60 HydrophobicContact CG-CE2 4.36Å; L56-F60 WeakPolarHBondContact O-CB 3.46Å; L56-F60 WeakPolarHBondContact O-CD2 3.31Å; L56-F60 WeakPolarHBondContact O-CG 3.24Å; L56-F60 PolarHBondContact O-N 3.3Å; L56-F60 VanDerWaalsContact O-N 3.1Å; L56-L70 HydrophobicContact CB-CD1 3.99Å; L56-L70 HydrophobicContact CB-CD2 4.43Å; L56-V74 HydrophobicContact CD1-CG2 4.09Å
57K93Very high91.8Very high64 Ų6449.3 Ų49.328%0.27826%0.26SS..Hα-helixtrans-65.9-36.5175.7-76.3172.6177.9166.10111.6V53 Q54 E55 V66 L70 D71V53-K57 HydrophobicContact CG1-CD 4.24Å; V53-K57 VanDerWaalsContact O-CG 3.3Å; V53-K57 WeakPolarHBondContact O-CG 3.44Å; V53-K57 PolarHBondContact O-N 3.16Å; V53-K57 VanDerWaalsContact O-N 3.07Å; Q54-K57 WeakPolarHBondContact O-CA 3.31Å; Q54-K57 WeakPolarHBondContact O-CB 3.45Å; Q54-K57 PolarHBondContact O-N 3.31Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.36Å; K57-V66 HydrophobicContact CB-CG1 3.54Å; K57-V66 HydrophobicContact CD-CG1 4.35Å; K57-V66 HydrophobicContact CG-CG1 3.54Å; K57-L70 HydrophobicContact CB-CD1 4.45Å; K57-L70 HydrophobicContact CG-CD1 3.78Å; K57-D71 VanDerWaalsContact CE-OD2 3.23Å; K57-D71 WeakPolarHBondContact CE-OD2 3.36Å; K57-D71 VanDerWaalsContact NZ-CG 3.29Å; K57-D71 IonicContact NZ-OD1 2.68Å; K57-D71 PolarHBondContact NZ-OD1 3.09Å; K57-D71 IonicContact NZ-OD2 2.67Å; K57-D71 PolarHBondContact NZ-OD2 2.74Å
58E91.9Very high91.7Very high127 Ų12748.3 Ų48.359%0.59326%0.264SS*.Hα-helixtrans-76.6-31.4176.3-68.6174.1-168.400112.7Q54 E55 L56 P61Q54-E58 WeakPolarHBondContact CG-OE1 3.39Å; Q54-E58 PolarHBondContact NE2-OE1 3.22Å; Q54-E58 WeakPolarHBondContact O-CG 3.39Å; Q54-E58 PolarHBondContact O-N 3.31Å; E55-E58 PolarHBondContact O-N 2.99Å; L56-E58 VanDerWaalsContact C-N 3.33Å; E58-P61 WeakPolarHBondContact O-CD 3.46Å
59A91.3Very high91.6Very high35 Ų3548 Ų4829%0.28926%0.261SS..Hα-helixtrans-81.9-25.6-178.200000114.5Y42 E55 L56 P61Y42-A59 HydrophobicContact CD2-CB 4.17Å; Y42-A59 HydrophobicContact CE1-CB 4.3Å; Y42-A59 HydrophobicContact CE2-CB 3.45Å; Y42-A59 VanDerWaalsContact CE2-CB 3.45Å; E55-A59 VanDerWaalsContact O-CB 3.28Å; E55-A59 WeakPolarHBondContact O-CB 3.41Å; E55-A59 PolarHBondContact O-N 3.25Å; L56-A59 PolarHBondContact O-N 2.74Å; A59-P61 WeakPolarHBondContact O-CD 3.39Å
60F92.2Very high91.6Very high17 Ų1748 Ų488%0.07526%0.261CS..  trans-113.333.6-175.1-54.7-42.6000116.6M1 W35 T38 I39 Y42 L56 W62 P67 L70M1-F60 HydrophobicContact CE-CB 4.23Å; M1-F60 HydrophobicContact CE-CG 4.47Å; W35-F60 HydrophobicContact CE3-CD2 4.44Å; W35-F60 HydrophobicContact CZ3-CB 4.18Å; W35-F60 AromaticContact CZ3-CD2 3.86Å; W35-F60 HydrophobicContact CZ3-CD2 3.86Å; W35-F60 HydrophobicContact CZ3-CE2 4.48Å; W35-F60 HydrophobicContact CZ3-CG 4.12Å; T38-F60 HydrophobicContact CG2-CD1 4.28Å; T38-F60 HydrophobicContact CG2-CE1 3.81Å; T38-F60 HydrophobicContact CG2-CE2 4.32Å; T38-F60 HydrophobicContact CG2-CZ 3.83Å; I39-F60 HydrophobicContact CG1-CE2 4.11Å; Y42-F60 HydrophobicContact CD1-CZ 4.3Å; Y42-F60 HydrophobicContact CD2-CE1 4Å; Y42-F60 HydrophobicContact CD2-CZ 4.24Å; Y42-F60 HydrophobicContact CG-CE1 4.04Å; Y42-F60 AromaticContact CG-CZ 3.82Å; Y42-F60 HydrophobicContact CG-CZ 3.82Å; L56-F60 HydrophobicContact CB-CD2 4.14Å; L56-F60 HydrophobicContact CB-CE2 4.05Å; L56-F60 HydrophobicContact CD2-CE2 3.72Å; L56-F60 HydrophobicContact CD2-CZ 4.18Å; L56-F60 HydrophobicContact CG-CE2 4.36Å; L56-F60 WeakPolarHBondContact O-CB 3.46Å; L56-F60 WeakPolarHBondContact O-CD2 3.31Å; L56-F60 WeakPolarHBondContact O-CG 3.24Å; L56-F60 PolarHBondContact O-N 3.3Å; L56-F60 VanDerWaalsContact O-N 3.1Å; F60-W62 PolarHBondContact O-N 3.39Å; F60-P67 HydrophobicContact CB-CG 3.98Å; F60-P67 WeakPolarHBondContact O-CD 3.44Å; F60-P67 WeakPolarHBondContact O-CG 3.5Å; F60-L70 HydrophobicContact CD2-CD1 4.42Å; F60-L70 HydrophobicContact CD2-CD2 4.25Å
61P90Very high91.5Very high73 Ų7351 Ų5147%0.47428%0.277SS..  trans-66.7139.617430.1-34000110E58 A59 R65E58-P61 WeakPolarHBondContact O-CD 3.46Å; A59-P61 WeakPolarHBondContact O-CD 3.39Å; P61-R65 CarbonylContact C-O 3.54Å; P61-R65 WeakPolarHBondContact CA-O 3.42Å
62W86.9Confident91.5Very high23 Ų2353.3 Ų53.39%0.08729%0.292CS..BIsolated β-bridgetrans-135.6122.1173.3-176.582.6000109.6M1 E8 I11 L12 M15 F60 G64 R65M1-W62 HydrophobicContact SD-CB 4.46Å; E8-W62 HydrophobicContact CB-CH2 4.23Å; E8-W62 HydrophobicContact CG-CH2 3.78Å; I11-W62 HydrophobicContact CB-CH2 4.33Å; I11-W62 HydrophobicContact CB-CZ2 4.28Å; I11-W62 HydrophobicContact CB-CZ3 4.5Å; I11-W62 HydrophobicContact CD1-CH2 4.43Å; I11-W62 HydrophobicContact CD1-CZ2 3.62Å; I11-W62 HydrophobicContact CG2-CD2 3.59Å; I11-W62 HydrophobicContact CG2-CE3 3.75Å; I11-W62 HydrophobicContact CG2-CG 4.04Å; I11-W62 HydrophobicContact CG2-CH2 4.29Å; I11-W62 HydrophobicContact CG2-CZ2 4.16Å; I11-W62 HydrophobicContact CG2-CZ3 4.1Å; L12-W62 HydrophobicContact CD2-CZ3 3.87Å; L12-W62 HydrophobicContact CG-CZ3 4.13Å; M15-W62 HydrophobicContact CE-CB 3.75Å; M15-W62 HydrophobicContact SD-CB 3.79Å; M15-W62 HydrophobicContact SD-CD2 4.21Å; M15-W62 HydrophobicContact SD-CE3 3.69Å; M15-W62 HydrophobicContact SD-CG 4.3Å; F60-W62 PolarHBondContact O-N 3.39Å; W62-G64 PolarHBondContact O-N 2.9Å; W62-R65 PolarHBondContact N-O 3.22Å; W62-R65 WeakPolarHBondContact O-CB 3.49Å; W62-R65 PolarHBondContact O-N 3.03Å
63K86.7Confident91.5Very high135 Ų13553 Ų5359%0.58729%0.29SS*.THydrogen-bonded Turntrans46.144.1-173.6-62.2-170.2-177.8-178.10113.4E8 R65E8-K63 IonicContact OE1-NZ 3.34Å; E8-K63 PolarHBondContact OE1-NZ 3.23Å; E8-K63 IonicContact OE2-NZ 3.3Å; E8-K63 PolarHBondContact OE2-NZ 3.26Å; K63-R65 PolarHBondContact O-N 3.14Å
64G85.6Confident91.6Very high79 Ų7952.1 Ų52.181%0.81428%0.284SS*.THydrogen-bonded Turntrans72.65.1-18000000115.2W62W62-G64 PolarHBondContact O-N 2.9Å
65R86.9Confident91.7Very high161 Ų16150.7 Ų50.761%0.60829%0.286SS*.BIsolated β-bridgetrans-100.9145.3173.1-60.3-175.2-177.2-151.60.7110.1M15 P61 W62 K63M15-R65 HydrophobicContact CE-CB 3.78Å; M15-R65 WeakPolarHBondContact CE-O 3.19Å; P61-R65 CarbonylContact C-O 3.54Å; P61-R65 WeakPolarHBondContact CA-O 3.42Å; W62-R65 PolarHBondContact N-O 3.22Å; W62-R65 WeakPolarHBondContact O-CB 3.49Å; W62-R65 PolarHBondContact O-N 3.03Å; K63-R65 PolarHBondContact O-N 3.14Å
66V90.6Very high91.8Very high73 Ų7350.3 Ų50.344%0.44228%0.284SS..  trans-102.9140.1172.8176.10000108.5K57 A68K57-V66 HydrophobicContact CB-CG1 3.54Å; K57-V66 HydrophobicContact CD-CG1 4.35Å; K57-V66 HydrophobicContact CG-CG1 3.54Å; V66-A68 PolarHBondContact O-N 3.29Å; V66-A68 VanDerWaalsContact O-N 3.15Å
67P92.4Very high91.9Very high0 Ų050.3 Ų50.30%028%0.284CS..  trans-66.3116-179.6-13.527000111.2M15 W35 F60 C69 L70M15-P67 HydrophobicContact CB-CB 4.38Å; M15-P67 HydrophobicContact CE-CG 4.05Å; M15-P67 HydrophobicContact CG-CB 4.33Å; M15-P67 HydrophobicContact CG-CG 4.44Å; W35-P67 HydrophobicContact CH2-CB 3.43Å; W35-P67 VanDerWaalsContact CH2-CB 3.43Å; W35-P67 HydrophobicContact CH2-CG 3.22Å; W35-P67 HydrophobicContact CZ2-CB 3.55Å; W35-P67 HydrophobicContact CZ2-CG 3.87Å; W35-P67 HydrophobicContact CZ3-CB 4.2Å; W35-P67 HydrophobicContact CZ3-CG 3.9Å; F60-P67 HydrophobicContact CB-CG 3.98Å; F60-P67 WeakPolarHBondContact O-CD 3.44Å; F60-P67 WeakPolarHBondContact O-CG 3.5Å; P67-C69 PolarHBondContact O-N 2.68Å; P67-L70 HydrophobicContact CB-CD1 4.15Å; P67-L70 HydrophobicContact CB-CG 4.02Å; P67-L70 HydrophobicContact CG-CD1 4.14Å; P67-L70 HydrophobicContact CG-CG 4.47Å
68A91.7Very high91.9Very high45 Ų4550.6 Ų50.637%0.37229%0.285SS..THydrogen-bonded Turntrans-76-5.9-175.600000113.5M15 K17 V66M15-A68 PolarHBondContact O-N 3.32Å; K17-A68 HydrophobicContact CG-CB 3.9Å; V66-A68 PolarHBondContact O-N 3.29Å; V66-A68 VanDerWaalsContact O-N 3.15Å
69C93.3Very high92Very high0 Ų052.6 Ų52.60%029%0.287CS..THydrogen-bonded Turntrans-90-12.5179.950.40000114.6L14 A16 F18 W35 P67 D71 T72 V73L14-C69 PolarHBondContact O-SG 2.94Å; A16-C69 VanDerWaalsContact O-CB 3.27Å; A16-C69 WeakPolarHBondContact O-CB 3.32Å; F18-C69 HydrophobicContact CD2-CB 3.71Å; F18-C69 HydrophobicContact CE2-CB 3.6Å; W35-C69 PolarHBondContact NE1-SG 3.3Å; P67-C69 PolarHBondContact O-N 2.68Å; C69-D71 VanDerWaalsContact C-N 3.3Å; C69-D71 PolarHBondContact O-N 3.33Å; C69-T72 WeakPolarHBondContact O-CA 3.34Å; C69-T72 WeakPolarHBondContact O-CB 3.33Å; C69-T72 PolarHBondContact O-N 2.75Å; C69-V73 WeakPolarHBondContact O-CG2 3.26Å; C69-V73 PolarHBondContact O-N 2.97Å
70L94.4Very high92.1Very high0 Ų053.9 Ų53.90%030%0.298CS..Hα-helixtrans-58.1-40.5-170.3-69.5170.6000112.6W35 L56 K57 F60 P67 T72 V73 V74W35-L70 HydrophobicContact CD2-CD2 4.3Å; W35-L70 HydrophobicContact CE3-CD2 3.77Å; W35-L70 HydrophobicContact CZ3-CD2 4.03Å; L56-L70 HydrophobicContact CB-CD1 3.99Å; L56-L70 HydrophobicContact CB-CD2 4.43Å; K57-L70 HydrophobicContact CB-CD1 4.45Å; K57-L70 HydrophobicContact CG-CD1 3.78Å; F60-L70 HydrophobicContact CD2-CD1 4.42Å; F60-L70 HydrophobicContact CD2-CD2 4.25Å; P67-L70 HydrophobicContact CB-CD1 4.15Å; P67-L70 HydrophobicContact CB-CG 4.02Å; P67-L70 HydrophobicContact CG-CD1 4.14Å; P67-L70 HydrophobicContact CG-CG 4.47Å; L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 3.11Å; L70-V73 PolarHBondContact O-N 3.04Å; L70-V73 VanDerWaalsContact O-N 3.13Å; L70-V74 WeakPolarHBondContact O-CG2 3.29Å; L70-V74 PolarHBondContact O-N 3.47Å
71D93.7Very high92.2Very high73 Ų7354.3 Ų54.339%0.3931%0.307SS..Hα-helixtrans-58-40.7176.3-56.9-90.1000111.9V53 K57 C69 S75V53-D71 WeakPolarHBondContact CG1-OD1 3.41Å; K57-D71 VanDerWaalsContact CE-OD2 3.23Å; K57-D71 WeakPolarHBondContact CE-OD2 3.36Å; K57-D71 VanDerWaalsContact NZ-CG 3.29Å; K57-D71 IonicContact NZ-OD1 2.68Å; K57-D71 PolarHBondContact NZ-OD1 3.09Å; K57-D71 IonicContact NZ-OD2 2.67Å; K57-D71 PolarHBondContact NZ-OD2 2.74Å; C69-D71 VanDerWaalsContact C-N 3.3Å; C69-D71 PolarHBondContact O-N 3.33Å; D71-S75 WeakPolarHBondContact O-CB 3.42Å; D71-S75 PolarHBondContact O-N 2.9Å; D71-S75 PolarHBondContact O-OG 3.37Å
72T93.8Very high92.4Very high49 Ų4953.1 Ų53.130%0.30130%0.297SS..Hα-helixtrans-70.4-40.9175.8-48.80000111.6F18 C69 L70 V74 S75 E76F18-T72 HydrophobicContact CB-CG2 4.21Å; F18-T72 HydrophobicContact CD2-CG2 3.51Å; F18-T72 HydrophobicContact CE2-CG2 4.03Å; F18-T72 HydrophobicContact CG-CG2 4Å; C69-T72 WeakPolarHBondContact O-CA 3.34Å; C69-T72 WeakPolarHBondContact O-CB 3.33Å; C69-T72 PolarHBondContact O-N 2.75Å; L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 3.11Å; T72-V74 PolarHBondContact O-N 2.97Å; T72-S75 PolarHBondContact O-N 3.13Å; T72-E76 HydrophobicContact CG2-CG 4.47Å; T72-E76 WeakPolarHBondContact O-CB 3.45Å; T72-E76 WeakPolarHBondContact O-CG 3.46Å; T72-E76 PolarHBondContact O-N 2.97Å
73V95.6Very high92.8Very high0 Ų052.1 Ų52.10%029%0.293CS..Hα-helixtrans-58.5-50176.9176.40000110.3F18 L32 W35 I39 C69 L70 S75 E76 M77F18-V73 HydrophobicContact CE2-CG2 3.67Å; F18-V73 HydrophobicContact CZ-CG2 3.97Å; L32-V73 HydrophobicContact CD1-CB 4.31Å; L32-V73 HydrophobicContact CD1-CG1 4.04Å; L32-V73 HydrophobicContact CD1-CG2 4.29Å; W35-V73 HydrophobicContact CB-CB 4.41Å; W35-V73 HydrophobicContact CB-CG1 3.89Å; W35-V73 HydrophobicContact CB-CG2 3.65Å; W35-V73 HydrophobicContact CG-CG2 3.96Å; I39-V73 HydrophobicContact CD1-CG1 3.75Å; C69-V73 WeakPolarHBondContact O-CG2 3.26Å; C69-V73 PolarHBondContact O-N 2.97Å; L70-V73 PolarHBondContact O-N 3.04Å; L70-V73 VanDerWaalsContact O-N 3.13Å; V73-S75 PolarHBondContact O-N 3.3Å; V73-E76 PolarHBondContact O-N 2.64Å; V73-M77 HydrophobicContact CG1-CG 4.45Å; V73-M77 HydrophobicContact CG1-SD 3.99Å; V73-M77 WeakPolarHBondContact O-CG 3.39Å; V73-M77 PolarHBondContact O-N 2.71Å
74V95.1Very high93.1Very high2 Ų248 Ų481%0.01228%0.276CS..Hα-helixtrans-66-39.6-179.4176.70000111F51 V53 L56 L70 T72 E76 M77 K78 Y129F51-V74 HydrophobicContact CE2-CG1 4.28Å; F51-V74 HydrophobicContact CE2-CG2 3.95Å; V53-V74 HydrophobicContact CG2-CB 4.08Å; V53-V74 HydrophobicContact CG2-CG1 4.05Å; V53-V74 HydrophobicContact CG2-CG2 3.99Å; L56-V74 HydrophobicContact CD1-CG2 4.09Å; L70-V74 WeakPolarHBondContact O-CG2 3.29Å; L70-V74 PolarHBondContact O-N 3.47Å; T72-V74 PolarHBondContact O-N 2.97Å; V74-E76 VanDerWaalsContact C-N 3.32Å; V74-E76 PolarHBondContact O-N 2.93Å; V74-M77 WeakPolarHBondContact O-CB 3.46Å; V74-M77 PolarHBondContact O-N 3.45Å; V74-K78 WeakPolarHBondContact O-CG 3.14Å; V74-K78 PolarHBondContact O-N 3.1Å; V74-Y129 HydrophobicContact CG1-CD2 3.85Å; V74-Y129 HydrophobicContact CG1-CE1 4.44Å; V74-Y129 HydrophobicContact CG1-CE2 3.69Å; V74-Y129 HydrophobicContact CG1-CG 4.26Å
75S93.9Very high93.5Very high73 Ų7345.4 Ų45.451%0.5124%0.244SC..Hα-helixtrans-60.4-40.9174.1-60.70000112.5D71 T72 V73 K78 R79D71-S75 WeakPolarHBondContact O-CB 3.42Å; D71-S75 PolarHBondContact O-N 2.9Å; D71-S75 PolarHBondContact O-OG 3.37Å; T72-S75 PolarHBondContact O-N 3.13Å; V73-S75 PolarHBondContact O-N 3.3Å; S75-K78 PolarHBondContact O-N 3.38Å; S75-R79 WeakPolarHBondContact O-CB 3.34Å; S75-R79 PolarHBondContact O-N 3.3Å
76E94.2Very high93.6Very high27 Ų2739.3 Ų39.313%0.12622%0.223CC..Hα-helixtrans-68.1-37.7174.6-75.2-70.1-179.300112.5Y28 L32 T72 V73 V74 R79 A80Y28-E76 PolarHBondContact OH-OE1 3.48Å; L32-E76 HydrophobicContact CD1-CB 3.86Å; L32-E76 HydrophobicContact CD1-CG 4.36Å; L32-E76 HydrophobicContact CD2-CB 4.08Å; L32-E76 HydrophobicContact CD2-CG 4.34Å; T72-E76 HydrophobicContact CG2-CG 4.47Å; T72-E76 WeakPolarHBondContact O-CB 3.45Å; T72-E76 WeakPolarHBondContact O-CG 3.46Å; T72-E76 PolarHBondContact O-N 2.97Å; V73-E76 PolarHBondContact O-N 2.64Å; V74-E76 VanDerWaalsContact C-N 3.32Å; V74-E76 PolarHBondContact O-N 2.93Å; E76-R79 PolarHBondContact O-N 3.22Å; E76-R79 IonicContact OE1-CZ 3.77Å; E76-R79 IonicContact OE1-NH2 3.15Å; E76-R79 PolarHBondContact OE1-NH2 3.02Å; E76-R79 IonicContact OE2-CZ 3.81Å; E76-R79 IonicContact OE2-NE 3.86Å; E76-R79 PolarHBondContact OE2-NE 3.37Å; E76-R79 IonicContact OE2-NH2 3.35Å; E76-R79 PolarHBondContact OE2-NH2 3.38Å; E76-A80 WeakPolarHBondContact O-CB 3.35Å; E76-A80 PolarHBondContact O-N 2.95Å
77M96Very high93.5Very high0 Ų039.3 Ų39.30%022%0.224CC..Hα-helixtrans-64-41.1172.7-71.3174.973.200111.7K36 I39 F51 V73 V74 A80 G81 D82 A83 F131K36-M77 HydrophobicContact CD-CG 4.23Å; K36-M77 HydrophobicContact CG-CG 3.95Å; K36-M77 HydrophobicContact CG-SD 4.1Å; I39-M77 HydrophobicContact CD1-SD 3.96Å; F51-M77 HydrophobicContact CZ-CE 4.05Å; V73-M77 HydrophobicContact CG1-CG 4.45Å; V73-M77 HydrophobicContact CG1-SD 3.99Å; V73-M77 WeakPolarHBondContact O-CG 3.39Å; V73-M77 PolarHBondContact O-N 2.71Å; V74-M77 WeakPolarHBondContact O-CB 3.46Å; V74-M77 PolarHBondContact O-N 3.45Å; M77-A80 PolarHBondContact O-N 3.23Å; M77-G81 PolarHBondContact O-N 3.39Å; M77-D82 HydrophobicContact CB-CB 4.13Å; M77-D82 HydrophobicContact CE-CB 4.36Å; M77-D82 HydrophobicContact CG-CB 4.39Å; M77-D82 PolarHBondContact O-N 3.48Å; M77-A83 HydrophobicContact CB-CB 3.71Å; M77-A83 HydrophobicContact CE-CB 4.5Å; M77-A83 PolarHBondContact O-N 2.89Å; M77-F131 HydrophobicContact CE-CD1 4.38Å; M77-F131 HydrophobicContact CE-CD2 4.15Å; M77-F131 HydrophobicContact CE-CE1 3.99Å; M77-F131 HydrophobicContact CE-CE2 3.75Å; M77-F131 HydrophobicContact CE-CG 4.46Å; M77-F131 HydrophobicContact CE-CZ 3.67Å
78K94.5Very high93.4Very high70 Ų7043.3 Ų43.330%0.30424%0.243SC..Hα-helixtrans-59.6-48.4172.7-71.5175.787.4158.10111V74 S75 A80 G81 A83 E127 Y129V74-K78 WeakPolarHBondContact O-CG 3.14Å; V74-K78 PolarHBondContact O-N 3.1Å; S75-K78 PolarHBondContact O-N 3.38Å; K78-A80 VanDerWaalsContact C-N 3.31Å; K78-A80 PolarHBondContact O-N 3.48Å; K78-G81 PolarHBondContact O-N 2.66Å; K78-G81 VanDerWaalsContact O-N 3.09Å; K78-A83 WeakPolarHBondContact CA-O 3.44Å; K78-A83 HydrophobicContact CG-CB 4.31Å; K78-E127 IonicContact NZ-OE1 3.05Å; K78-E127 PolarHBondContact NZ-OE1 3.03Å; K78-E127 IonicContact NZ-OE2 3.56Å; K78-E127 PolarHBondContact NZ-OE2 3.44Å; K78-Y129 HydrophobicContact CD-CD1 4.23Å; K78-Y129 HydrophobicContact CD-CE1 3.38Å; K78-Y129 VanDerWaalsContact CE-CE1 3.42Å; K78-Y129 HydrophobicContact CG-CD1 4.22Å; K78-Y129 HydrophobicContact CG-CE1 3.86Å; K78-Y129 PolarHBondContact NZ-OH 3.18Å
79R93.9Very high93.3Very high169 Ų16941.4 Ų41.464%0.63823%0.226SC*.Hα-helixtrans-61.9-37.9179.5-173.7173.370.4160.30.5112.7S75 E76 G81S75-R79 WeakPolarHBondContact O-CB 3.34Å; S75-R79 PolarHBondContact O-N 3.3Å; E76-R79 PolarHBondContact O-N 3.22Å; E76-R79 IonicContact OE1-CZ 3.77Å; E76-R79 IonicContact OE1-NH2 3.15Å; E76-R79 PolarHBondContact OE1-NH2 3.02Å; E76-R79 IonicContact OE2-CZ 3.81Å; E76-R79 IonicContact OE2-NE 3.86Å; E76-R79 PolarHBondContact OE2-NE 3.37Å; E76-R79 IonicContact OE2-NH2 3.35Å; E76-R79 PolarHBondContact OE2-NH2 3.38Å; R79-G81 VanDerWaalsContact C-N 3.29Å
80A93.8Very high92.9Very high63 Ų6343.7 Ų43.752%0.52124%0.237SC..Hα-helixtrans-76.5-14.717700000113.5E76 M77 K78 D82E76-A80 WeakPolarHBondContact O-CB 3.35Å; E76-A80 PolarHBondContact O-N 2.95Å; M77-A80 PolarHBondContact O-N 3.23Å; K78-A80 VanDerWaalsContact C-N 3.31Å; K78-A80 PolarHBondContact O-N 3.48Å; A80-D82 VanDerWaalsContact C-N 3.34Å
81G93Very high92.5Very high26 Ų2650 Ų5027%0.26827%0.266SS..THydrogen-bonded Turntrans82.38.2-174.400000114.5M77 K78 R79 V132M77-G81 PolarHBondContact O-N 3.39Å; K78-G81 PolarHBondContact O-N 2.66Å; K78-G81 VanDerWaalsContact O-N 3.09Å; R79-G81 VanDerWaalsContact C-N 3.29Å; G81-V132 WeakPolarHBondContact O-CG2 3.49Å
82D94.2Very high92Very high48 Ų4848.8 Ų48.826%0.25726%0.264SS..SBendtrans-73.2-30.8176-61.7-35.4000111.7K36 M77 A80 V132K36-D82 IonicContact NZ-OD2 2.65Å; K36-D82 PolarHBondContact NZ-OD2 3.15Å; M77-D82 HydrophobicContact CB-CB 4.13Å; M77-D82 HydrophobicContact CE-CB 4.36Å; M77-D82 HydrophobicContact CG-CB 4.39Å; M77-D82 PolarHBondContact O-N 3.48Å; A80-D82 VanDerWaalsContact C-N 3.34Å; D82-V132 PolarHBondContact O-N 2.85Å
83A95.2Very high91.3Very high1 Ų147.5 Ų47.51%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-120131.2176.100000110.2F51 M77 K78 Y129 V130F51-A83 HydrophobicContact CZ-CB 3.93Å; M77-A83 HydrophobicContact CB-CB 3.71Å; M77-A83 HydrophobicContact CE-CB 4.5Å; M77-A83 PolarHBondContact O-N 2.89Å; K78-A83 WeakPolarHBondContact CA-O 3.44Å; K78-A83 HydrophobicContact CG-CB 4.31Å; A83-Y129 HydrophobicContact CB-CD1 4.49Å; A83-V130 WeakPolarHBondContact CA-O 3.45Å
84K94Very high89.7Confident50 Ų5052.6 Ų52.622%0.21728%0.279CS..EExtended strand (participates in β ladder)trans-134.3151.4175.9-68.3-174-175.6-1730109.9Q88 F89 S92 Y129 V130 V132K84-Q88 HydrophobicContact CB-CB 4Å; K84-Q88 HydrophobicContact CD-CB 4.48Å; K84-Q88 HydrophobicContact CG-CB 4.48Å; K84-F89 HydrophobicContact CB-CB 4.15Å; K84-F89 HydrophobicContact CD-CB 4.49Å; K84-F89 HydrophobicContact CD-CD2 4.47Å; K84-S92 PolarHBondContact NZ-OG 3.02Å; K84-Y129 CarbonylContact O-C 3.58Å; K84-Y129 WeakPolarHBondContact O-CA 3.47Å; K84-V130 PolarHBondContact N-O 3.26Å; K84-V130 VanDerWaalsContact N-O 3.1Å; K84-V130 PolarHBondContact O-N 2.99Å; K84-V132 HydrophobicContact CB-CG2 4.23Å; K84-V132 HydrophobicContact CD-CG2 3.97Å; K84-V132 HydrophobicContact CG-CG2 3.84Å
85T93.1Very high87.6Confident23 Ų2354.1 Ų54.114%0.14130%0.295CS..  trans-66.6160.3164.860.80000109.7P87 Q88 F89 E127 Y129T85-P87 VanDerWaalsContact C-N 3.35Å; T85-Q88 VanDerWaalsContact N-OE1 3.17Å; T85-Q88 PolarHBondContact O-N 3.38Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.42Å; T85-Q88 VanDerWaalsContact OG1-CD 3.27Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.34Å; T85-Q88 PolarHBondContact OG1-N 3.03Å; T85-Q88 PolarHBondContact OG1-OE1 3.41Å; T85-F89 WeakPolarHBondContact O-CB 3.38Å; T85-F89 PolarHBondContact O-N 2.86Å; T85-E127 HydrophobicContact CG2-CG 4Å; T85-E127 WeakPolarHBondContact CG2-OE1 3.41Å; T85-Y129 HydrophobicContact CG2-CD1 4.49Å; T85-Y129 HydrophobicContact CG2-CE1 4.27Å
86I89.4Confident85.2Confident33 Ų3361.1 Ų61.117%0.16931%0.31CS..Hα-helixtrans-52.7-48.8177.6-64171.9000111.3L50 Q88 F89 E90 V130 T178L50-I86 HydrophobicContact CD2-CG1 4.49Å; I86-Q88 PolarHBondContact O-N 3.06Å; I86-F89 WeakPolarHBondContact O-CB 3.43Å; I86-F89 PolarHBondContact O-N 3.36Å; I86-F89 VanDerWaalsContact O-N 3.17Å; I86-E90 HydrophobicContact CG2-CG 4.49Å; I86-E90 WeakPolarHBondContact O-CG 3.31Å; I86-E90 PolarHBondContact O-N 2.98Å; I86-V130 HydrophobicContact CB-CG2 4.44Å; I86-V130 HydrophobicContact CG1-CG2 3.72Å; I86-T178 HydrophobicContact CD1-CG2 4.09Å
87P88Confident82.9Confident73 Ų7365.8 Ų65.847%0.47434%0.335SS..Hα-helixtrans-60.9-43.3177.3-23.734.8000113.3T85 F89 E90 E91T85-P87 VanDerWaalsContact C-N 3.35Å; P87-F89 PolarHBondContact O-N 3.04Å; P87-E90 PolarHBondContact O-N 2.91Å; P87-E91 WeakPolarHBondContact O-CB 3.18Å; P87-E91 VanDerWaalsContact O-CG 3.31Å; P87-E91 WeakPolarHBondContact O-CG 3.41Å; P87-E91 PolarHBondContact O-N 3.43Å
88Q90.9Very high80.6Confident85 Ų8566.5 Ų66.540%0.39734%0.34SS..Hα-helixtrans-63.7-32.4177.8-75.1172.7-9.600112.7K84 T85 I86 S92K84-Q88 HydrophobicContact CB-CB 4Å; K84-Q88 HydrophobicContact CD-CB 4.48Å; K84-Q88 HydrophobicContact CG-CB 4.48Å; T85-Q88 VanDerWaalsContact N-OE1 3.17Å; T85-Q88 PolarHBondContact O-N 3.38Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.42Å; T85-Q88 VanDerWaalsContact OG1-CD 3.27Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.34Å; T85-Q88 PolarHBondContact OG1-N 3.03Å; T85-Q88 PolarHBondContact OG1-OE1 3.41Å; I86-Q88 PolarHBondContact O-N 3.06Å; Q88-S92 WeakPolarHBondContact O-CB 3.36Å; Q88-S92 PolarHBondContact O-N 3.06Å; Q88-S92 PolarHBondContact O-OG 3.5Å
89F89.8Confident78.2Confident4 Ų474 Ų742%0.01837%0.367CS..Hα-helixtrans-70.5-45.9175.9-177.2-109.1000110.9K84 T85 I86 P87 S92 M93 V130 V132 I135 L182K84-F89 HydrophobicContact CB-CB 4.15Å; K84-F89 HydrophobicContact CD-CB 4.49Å; K84-F89 HydrophobicContact CD-CD2 4.47Å; T85-F89 WeakPolarHBondContact O-CB 3.38Å; T85-F89 PolarHBondContact O-N 2.86Å; I86-F89 WeakPolarHBondContact O-CB 3.43Å; I86-F89 PolarHBondContact O-N 3.36Å; I86-F89 VanDerWaalsContact O-N 3.17Å; P87-F89 PolarHBondContact O-N 3.04Å; F89-S92 PolarHBondContact O-N 2.92Å; F89-S92 VanDerWaalsContact O-N 3.16Å; F89-S92 PolarHBondContact O-OG 3.39Å; F89-M93 HydrophobicContact CD1-CE 3.84Å; F89-M93 HydrophobicContact CE1-CE 3.03Å; F89-M93 HydrophobicContact CE1-SD 4.15Å; F89-M93 HydrophobicContact CE2-CE 3.89Å; F89-M93 HydrophobicContact CZ-CE 3.06Å; F89-M93 PolarHBondContact O-N 2.94Å; F89-V130 HydrophobicContact CB-CB 4.41Å; F89-V130 HydrophobicContact CB-CG2 4.28Å; F89-V130 HydrophobicContact CD1-CG1 4.18Å; F89-V130 HydrophobicContact CD2-CG1 4.13Å; F89-V130 HydrophobicContact CE1-CG1 4.33Å; F89-V130 HydrophobicContact CE2-CG1 4.33Å; F89-V130 HydrophobicContact CG-CB 4.41Å; F89-V130 HydrophobicContact CG-CG1 4.04Å; F89-V130 HydrophobicContact CZ-CG1 4.4Å; F89-V132 HydrophobicContact CD2-CG2 4Å; F89-V132 HydrophobicContact CE2-CG1 4.21Å; F89-V132 HydrophobicContact CE2-CG2 4.25Å; F89-I135 HydrophobicContact CE1-CG2 4.1Å; F89-I135 HydrophobicContact CZ-CB 4Å; F89-I135 HydrophobicContact CZ-CG1 4.2Å; F89-I135 HydrophobicContact CZ-CG2 3.53Å; F89-L182 HydrophobicContact CD1-CD1 4.32Å; F89-L182 HydrophobicContact CD1-CD2 3.83Å; F89-L182 HydrophobicContact CD1-CG 4.45Å; F89-L182 HydrophobicContact CE1-CB 3.99Å; F89-L182 HydrophobicContact CE1-CD1 4.45Å; F89-L182 HydrophobicContact CE1-CD2 4.03Å; F89-L182 HydrophobicContact CE1-CG 4.37Å
90E85.1Confident75.8Confident48 Ų4869.9 Ų69.922%0.22436%0.364CS..Hα-helixtrans-61.1-48.5175.7-68.1-178.7143.100112.1I86 P87 S92 M93 E94 L113 K185I86-E90 HydrophobicContact CG2-CG 4.49Å; I86-E90 WeakPolarHBondContact O-CG 3.31Å; I86-E90 PolarHBondContact O-N 2.98Å; P87-E90 PolarHBondContact O-N 2.91Å; E90-S92 PolarHBondContact O-N 3.22Å; E90-M93 WeakPolarHBondContact O-CA 3.21Å; E90-M93 WeakPolarHBondContact O-CB 3.17Å; E90-M93 PolarHBondContact O-N 2.8Å; E90-E94 PolarHBondContact O-N 2.83Å; E90-L113 WeakPolarHBondContact OE1-CD1 3.42Å; E90-K185 IonicContact OE1-NZ 3.55Å; E90-K185 PolarHBondContact OE1-NZ 3.44Å
91E85Confident73.5Confident132 Ų13275.7 Ų75.762%0.61737%0.373SS*.Hα-helixtrans-56-34.8173.9-74.3172.2-172.800111.9P87 M93 E94P87-E91 WeakPolarHBondContact O-CB 3.18Å; P87-E91 VanDerWaalsContact O-CG 3.31Å; P87-E91 WeakPolarHBondContact O-CG 3.41Å; P87-E91 PolarHBondContact O-N 3.43Å; E91-M93 VanDerWaalsContact C-N 3.26Å; E91-M93 PolarHBondContact O-N 3.1Å; E91-E94 CarbonylContact O-C 3.38Å; E91-E94 PolarHBondContact O-N 3.23Å
92S84Confident71.3Confident48 Ų4877 Ų7734%0.33637%0.373SS..Hα-helixtrans-74.7-15177.9760000114.6K84 Q88 F89 E90K84-S92 PolarHBondContact NZ-OG 3.02Å; Q88-S92 WeakPolarHBondContact O-CB 3.36Å; Q88-S92 PolarHBondContact O-N 3.06Å; Q88-S92 PolarHBondContact O-OG 3.5Å; F89-S92 PolarHBondContact O-N 2.92Å; F89-S92 VanDerWaalsContact O-N 3.16Å; F89-S92 PolarHBondContact O-OG 3.39Å; E90-S92 PolarHBondContact O-N 3.22Å
93M79.2Confident69Low22 Ų2284.8 Ų84.811%0.10840%0.398CS..Hα-helixtrans-88.1-26167.6-62.2-179.8170.300111.4F89 E90 E91 G95 K185 H186 Y189F89-M93 HydrophobicContact CD1-CE 3.84Å; F89-M93 HydrophobicContact CE1-CE 3.03Å; F89-M93 HydrophobicContact CE1-SD 4.15Å; F89-M93 HydrophobicContact CE2-CE 3.89Å; F89-M93 HydrophobicContact CZ-CE 3.06Å; F89-M93 PolarHBondContact O-N 2.94Å; E90-M93 WeakPolarHBondContact O-CA 3.21Å; E90-M93 WeakPolarHBondContact O-CB 3.17Å; E90-M93 PolarHBondContact O-N 2.8Å; E91-M93 VanDerWaalsContact C-N 3.26Å; E91-M93 PolarHBondContact O-N 3.1Å; M93-G95 VanDerWaalsContact C-N 3.34Å; M93-G95 PolarHBondContact O-N 3.22Å; M93-K185 HydrophobicContact SD-CB 3.84Å; M93-H186 VanDerWaalsContact CE-CA 3.5Å; M93-H186 HydrophobicContact CE-CB 3.58Å; M93-Y189 HydrophobicContact CB-CD2 4.16Å; M93-Y189 HydrophobicContact CB-CG 4.2Å; M93-Y189 WeakPolarHBondContact O-CD2 3.37Å; M93-Y189 WeakPolarHBondContact O-CE2 3.21Å
94E62.6Low66.9Low108 Ų10893.8 Ų93.851%0.50544%0.437SS..SBendtrans-85.378.6177.8-65.7-173.4-175.700110.1E90 E91 W96E90-E94 PolarHBondContact O-N 2.83Å; E91-E94 CarbonylContact O-C 3.38Å; E91-E94 PolarHBondContact O-N 3.23Å; E94-W96 PolarHBondContact O-N 3.4Å
95G50.6Low65Low34 Ų3496.8 Ų96.835%0.35146%0.456SS..  trans-52.1139171.400000111.4M93 L97 S98M93-G95 VanDerWaalsContact C-N 3.34Å; M93-G95 PolarHBondContact O-N 3.22Å; G95-L97 PolarHBondContact O-N 3.03Å; G95-S98 VanDerWaalsContact O-CB 3.27Å; G95-S98 WeakPolarHBondContact O-CB 3.46Å; G95-S98 PolarHBondContact O-N 3.45Å
96W42.6Very low62.9Low219 Ų21999 Ų9983%0.8346%0.463SS*.THydrogen-bonded Turntrans-41.3-9-178.868.4-56.2000119E94E94-W96 PolarHBondContact O-N 3.4Å
97L46.2Very low61.3Low126 Ų126103.2 Ų103.266%0.6648%0.482SS*.THydrogen-bonded Turntrans-92.1-3.4174.5-65.7169.7000113.4G95G95-L97 PolarHBondContact O-N 3.03Å
98S48.5Very low59.8Low14 Ų14100.7 Ų100.710%0.09847%0.466CS..SBendtrans-84.9-35.8-170.9165.20000115.3G95 S100 Y101 H102G95-S98 VanDerWaalsContact O-CB 3.27Å; G95-S98 WeakPolarHBondContact O-CB 3.46Å; G95-S98 PolarHBondContact O-N 3.45Å; S98-S100 PolarHBondContact O-N 3.39Å; S98-Y101 PolarHBondContact O-N 3.24Å; S98-Y101 VanDerWaalsContact O-N 3.11Å; S98-H102 WeakPolarHBondContact O-CB 3.45Å; S98-H102 PolarHBondContact O-CD2 3.37Å; S98-H102 PolarHBondContact O-N 3.06Å; S98-H102 PolarHBondContact OG-CD2 3.09Å
99W42.5Very low58.3Low229 Ų22997 Ų9787%0.86745%0.448SS*.THydrogen-bonded Turntrans-57-24.3-170.469.6-60.8000115.5
100S44.4Very low56.9Low82 Ų8299.4 Ų99.457%0.57347%0.466SS*.THydrogen-bonded Turntrans-91-17.4-179.155.30000115.3S98S98-S100 PolarHBondContact O-N 3.39Å
101Y45.3Very low55.4Low184 Ų184101.9 Ų101.972%0.72248%0.478SS*.THydrogen-bonded Turntrans-114.7-14.1-176.8-77.6-84.5000114S98S98-Y101 PolarHBondContact O-N 3.24Å; S98-Y101 VanDerWaalsContact O-N 3.11Å
102H47.3Very low54.1Low55 Ų5598.1 Ų98.126%0.25546%0.462SS..G310 helixtrans-100.32.2-162-86.4-70.3000118.5S98 F104 L105 F106S98-H102 WeakPolarHBondContact O-CB 3.45Å; S98-H102 PolarHBondContact O-CD2 3.37Å; S98-H102 PolarHBondContact O-N 3.06Å; S98-H102 PolarHBondContact OG-CD2 3.09Å; H102-F104 PolarHBondContact O-N 3.35Å; H102-L105 PolarHBondContact O-N 2.9Å; H102-F106 HydrophobicContact CB-CD2 3.46Å; H102-F106 VanDerWaalsContact CB-CD2 3.46Å; H102-F106 HydrophobicContact CB-CE2 3.61Å; H102-F106 HydrophobicContact CB-CG 4.49Å; H102-F106 AromaticContact CD2-CE2 3.55Å; H102-F106 AromaticContact CE1-CD2 3.92Å; H102-F106 AromaticContact CE1-CE1 3.71Å; H102-F106 AromaticContact CE1-CE2 3.16Å; H102-F106 WeakPolarHBondContact CE1-CE2 3.21Å; H102-F106 AromaticContact CE1-CZ 3.01Å; H102-F106 WeakPolarHBondContact CE1-CZ 3.36Å; H102-F106 AromaticContact CG-CD2 3.36Å; H102-F106 AromaticContact CG-CE2 3.03Å; H102-F106 AromaticContact CG-CZ 3.79Å; H102-F106 AromaticContact ND1-CD2 3.11Å; H102-F106 WeakPolarHBondContact ND1-CD2 3.33Å; H102-F106 AromaticContact ND1-CE1 3.75Å; H102-F106 AromaticContact ND1-CE2 2.8Å; H102-F106 WeakPolarHBondContact ND1-CE2 3.03Å; H102-F106 AromaticContact ND1-CG 3.72Å; H102-F106 AromaticContact ND1-CZ 3.14Å; H102-F106 WeakPolarHBondContact ND1-CZ 3.27Å; H102-F106 AromaticContact NE2-CE2 3.61Å; H102-F106 AromaticContact NE2-CZ 3.63Å
103R46.1Very low52.8Low211 Ų21196.6 Ų96.680%0.79645%0.45SS*.G310 helixtrans-62.5-11.3173.3-158.6171.1-176.7177.31.2113.5
104F49.9Very low51.7Low189 Ų18998.1 Ų98.183%0.82947%0.466SS*.G310 helixtrans-117.9-0.6-177.8-66.8-75.2000115.3H102H102-F104 PolarHBondContact O-N 3.35Å
105L53.7Low51.3Low114 Ų11496.3 Ų96.360%0.59747%0.465SS*.THydrogen-bonded Turntrans-123.9-2.3-170.3-71.7170.2000115.6H102H102-L105 PolarHBondContact O-N 2.9Å
106F49.6Very low51.5Low70 Ų7099.4 Ų99.431%0.30747%0.473SS..  trans-124.38.9-171.1-73.5-39.5000116.6H102 K188H102-F106 HydrophobicContact CB-CD2 3.46Å; H102-F106 VanDerWaalsContact CB-CD2 3.46Å; H102-F106 HydrophobicContact CB-CE2 3.61Å; H102-F106 HydrophobicContact CB-CG 4.49Å; H102-F106 AromaticContact CD2-CE2 3.55Å; H102-F106 AromaticContact CE1-CD2 3.92Å; H102-F106 AromaticContact CE1-CE1 3.71Å; H102-F106 AromaticContact CE1-CE2 3.16Å; H102-F106 WeakPolarHBondContact CE1-CE2 3.21Å; H102-F106 AromaticContact CE1-CZ 3.01Å; H102-F106 WeakPolarHBondContact CE1-CZ 3.36Å; H102-F106 AromaticContact CG-CD2 3.36Å; H102-F106 AromaticContact CG-CE2 3.03Å; H102-F106 AromaticContact CG-CZ 3.79Å; H102-F106 AromaticContact ND1-CD2 3.11Å; H102-F106 WeakPolarHBondContact ND1-CD2 3.33Å; H102-F106 AromaticContact ND1-CE1 3.75Å; H102-F106 AromaticContact ND1-CE2 2.8Å; H102-F106 WeakPolarHBondContact ND1-CE2 3.03Å; H102-F106 AromaticContact ND1-CG 3.72Å; H102-F106 AromaticContact ND1-CZ 3.14Å; H102-F106 WeakPolarHBondContact ND1-CZ 3.27Å; H102-F106 AromaticContact NE2-CE2 3.61Å; H102-F106 AromaticContact NE2-CZ 3.63Å; F106-K188 HydrophobicContact CE1-CD 4.46Å
107E57.1Low52Low121 Ų12194.4 Ų94.457%0.56547%0.467SS*.Hα-helixtrans-69.6-26-172.6-64.3-166.4154.300118S110 Q111E107-S110 PolarHBondContact O-OG 3.23Å; E107-Q111 WeakPolarHBondContact O-CG 3.45Å
108P56.1Low52.1Low20 Ų2092.7 Ų92.713%0.1347%0.465CS..Hα-helixtrans-77-34-16727.5-33.7000114.5K197P108-K197 HydrophobicContact CB-CB 3.57Å; P108-K197 HydrophobicContact CB-CD 3.86Å; P108-K197 HydrophobicContact CB-CG 4.31Å; P108-K197 HydrophobicContact CG-CB 4.41Å
109L58.7Low51.6Low6 Ų696.6 Ų96.63%0.03149%0.492CS..Hα-helixtrans-85.7-26-178.1-72.7170.4000113.5L112 W163 V181 V184 K185 T195L109-L112 HydrophobicContact CD2-CD1 4.18Å; L109-W163 HydrophobicContact CD2-CH2 4.4Å; L109-W163 HydrophobicContact CD2-CZ3 4.08Å; L109-V181 HydrophobicContact CD2-CG1 4.34Å; L109-V184 HydrophobicContact CD1-CG1 4.35Å; L109-K185 HydrophobicContact CD1-CG 3.96Å; L109-T195 HydrophobicContact CD1-CG2 4.02Å
110S61.4Low51.4Low56 Ų5691.1 Ų91.139%0.39249%0.489SS..Hα-helixtrans-71.9-32.6176.355.80000111.6E107 L112 L113 A114E107-S110 PolarHBondContact O-OG 3.23Å; S110-L112 VanDerWaalsContact C-N 3.34Å; S110-L112 PolarHBondContact O-N 3.36Å; S110-L113 PolarHBondContact O-N 2.95Å; S110-A114 WeakPolarHBondContact O-CB 3.41Å; S110-A114 PolarHBondContact O-N 2.89Å
111Q53.4Low50.9Low100 Ų10091.9 Ų91.947%0.46750%0.495SS..Hα-helixtrans-62.2-37.1173.6-73.5-177.5-18.500112.8E107 L113 A114 S115E107-Q111 WeakPolarHBondContact O-CG 3.45Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; Q111-L113 PolarHBondContact O-N 3Å; Q111-A114 PolarHBondContact O-N 2.59Å; Q111-S115 PolarHBondContact O-N 2.84Å; Q111-S115 VanDerWaalsContact O-N 3.07Å; Q111-S115 PolarHBondContact O-OG 2.8Å
112L56.9Low50.4Low53 Ų5391.9 Ų91.928%0.27751%0.507SS..Hα-helixtrans-64.2-36.9175.9-68.9177.8000112.6L109 S110 S115 L116 V181L109-L112 HydrophobicContact CD2-CD1 4.18Å; S110-L112 VanDerWaalsContact C-N 3.34Å; S110-L112 PolarHBondContact O-N 3.36Å; L112-S115 PolarHBondContact O-OG 3.34Å; L112-L116 WeakPolarHBondContact O-CG 3.17Å; L112-V181 HydrophobicContact CD1-CG2 4.49Å
113L56.3Low50.2Low16 Ų1694.5 Ų94.58%0.08453%0.527CS..Hα-helixtrans-75-36.2175.3-65.1179.2000112E90 S110 Q111 S115 L116 T117 T178 V181 K185E90-L113 WeakPolarHBondContact OE1-CD1 3.42Å; S110-L113 PolarHBondContact O-N 2.95Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; Q111-L113 PolarHBondContact O-N 3Å; L113-S115 VanDerWaalsContact C-N 3.33Å; L113-S115 PolarHBondContact O-N 2.85Å; L113-L116 PolarHBondContact O-N 3.41Å; L113-L116 VanDerWaalsContact O-N 3.15Å; L113-T117 PolarHBondContact O-N 3.5Å; L113-T117 PolarHBondContact O-OG1 2.61Å; L113-T178 HydrophobicContact CD2-CG2 3.86Å; L113-V181 HydrophobicContact CD1-CG1 4.07Å; L113-V181 HydrophobicContact CD2-CB 4.27Å; L113-V181 HydrophobicContact CD2-CG1 3.97Å; L113-V181 HydrophobicContact CG-CG1 3.93Å; L113-K185 VanDerWaalsContact CD1-NZ 3.33Å
114A56.3Low50.1Low54 Ų5493.6 Ų93.645%0.44653%0.532SS..Hα-helixtrans-66-31.8177.900000113.1S110 Q111 L116 S118S110-A114 WeakPolarHBondContact O-CB 3.41Å; S110-A114 PolarHBondContact O-N 2.89Å; Q111-A114 PolarHBondContact O-N 2.59Å; A114-L116 VanDerWaalsContact C-N 3.26Å; A114-L116 PolarHBondContact O-N 3.28Å; A114-S118 WeakPolarHBondContact O-CB 3.06Å; A114-S118 PolarHBondContact O-N 2.93Å; A114-S118 PolarHBondContact O-OG 3.18Å
115S54.9Low50.4Low70 Ų7091.1 Ų91.149%0.4953%0.531SS..Hα-helixtrans-69.8-21.3173.448.40000113.7Q111 L112 L113Q111-S115 PolarHBondContact O-N 2.84Å; Q111-S115 VanDerWaalsContact O-N 3.07Å; Q111-S115 PolarHBondContact O-OG 2.8Å; L112-S115 PolarHBondContact O-OG 3.34Å; L113-S115 VanDerWaalsContact C-N 3.33Å; L113-S115 PolarHBondContact O-N 2.85Å
116L53.7Low51.3Low98 Ų9889 Ų8951%0.51352%0.518SS..Hα-helixtrans-91.4-28.2-179.2-66.8169.7000112.5L112 L113 A114L112-L116 WeakPolarHBondContact O-CG 3.17Å; L113-L116 PolarHBondContact O-N 3.41Å; L113-L116 VanDerWaalsContact O-N 3.15Å; A114-L116 VanDerWaalsContact C-N 3.26Å; A114-L116 PolarHBondContact O-N 3.28Å
117T54.1Low53Low115 Ų11590.1 Ų90.171%0.70653%0.525SS*.Hα-helixtrans-92-5.5-178.256.20000114.2L113L113-T117 PolarHBondContact O-N 3.5Å; L113-T117 PolarHBondContact O-OG1 2.61Å
118S47.3Very low54.6Low90 Ų9089.1 Ų89.163%0.62952%0.52SS*.SBendtrans-96.53.9-173.748.10000115.4A114A114-S118 WeakPolarHBondContact O-CB 3.06Å; A114-S118 PolarHBondContact O-N 2.93Å; A114-S118 PolarHBondContact O-OG 3.18Å
119S39.1Very low56.4Low95 Ų9588.9 Ų88.966%0.66452%0.517SS*.  trans-128.764.7-173.1-62.60000113.6
120S38.1Very low58.2Low115 Ų11588.6 Ų88.680%0.80452%0.515SS*.  trans-165.5130.2152.6-2.10000113.6
121S34.6Very low59.8Low98 Ų9886.4 Ų86.469%0.68550%0.499SS*.  trans-52.9136.7172.849.70000115.2V123S121-V123 PolarHBondContact O-N 2.91Å
122N34.9Very low61.8Low183 Ų18382.4 Ų82.498%0.97948%0.481SS*.SBendtrans28.520.3145.7-105.513.4000122.4
123V42.7Very low63.6Low111 Ų11181.9 Ų81.967%0.67348%0.482SS*.SBendtrans-89.2133.5166-179.90000106.2S121 V125S121-V123 PolarHBondContact O-N 2.91Å; V123-V125 WeakPolarHBondContact O-CG2 3.4Å; V123-V125 PolarHBondContact O-N 3.5Å
124E43.8Very low65.5Low192 Ų19281.1 Ų81.190%0.89748%0.478SS*.  trans-50.2102.7171.8-71.318016000108.2E126E124-E126 PolarHBondContact O-N 3.07Å
125V55.9Low67.3Low136 Ų13678.5 Ų78.582%0.82446%0.456SS*.  trans-66.9111.7-174.5179.10000106.4V123 E127V123-V125 WeakPolarHBondContact O-CG2 3.4Å; V123-V125 PolarHBondContact O-N 3.5Å; V125-E127 PolarHBondContact O-N 3.42Å
126E72.5Confident69.2Low69 Ų6979.8 Ų79.832%0.32245%0.453SS..  trans-58.4131.4179.6-156.4-165163.900109.9S52 V53 Q54 E124 Q128S52-E126 WeakPolarHBondContact CB-OE1 3.45Å; S52-E126 VanDerWaalsContact CB-OE2 3.28Å; S52-E126 WeakPolarHBondContact CB-OE2 3.48Å; S52-E126 PolarHBondContact OG-OE1 2.82Å; S52-E126 PolarHBondContact OG-OE2 3.28Å; V53-E126 PolarHBondContact N-OE1 3Å; Q54-E126 WeakPolarHBondContact CA-OE1 3.44Å; Q54-E126 HydrophobicContact CB-CG 4.5Å; Q54-E126 WeakPolarHBondContact CB-OE1 3.42Å; Q54-E126 PolarHBondContact N-OE1 3.26Å; E124-E126 PolarHBondContact O-N 3.07Å; E126-Q128 PolarHBondContact O-N 3.09Å
127E85Confident71.2Confident94 Ų9478.5 Ų78.544%0.43944%0.444SS..  trans-66.3109.5-179.6-167.2-178.1176.800109.5K78 T85 V125 Y129K78-E127 IonicContact NZ-OE1 3.05Å; K78-E127 PolarHBondContact NZ-OE1 3.03Å; K78-E127 IonicContact NZ-OE2 3.56Å; K78-E127 PolarHBondContact NZ-OE2 3.44Å; T85-E127 HydrophobicContact CG2-CG 4Å; T85-E127 WeakPolarHBondContact CG2-OE1 3.41Å; V125-E127 PolarHBondContact O-N 3.42Å; E127-Y129 HydrophobicContact CB-CE2 4.4Å; E127-Y129 HydrophobicContact CG-CE1 4.13Å; E127-Y129 HydrophobicContact CG-CE2 4.33Å; E127-Y129 WeakPolarHBondContact O-CD2 3.47Å; E127-Y129 VanDerWaalsContact O-CE2 3.32Å; E127-Y129 WeakPolarHBondContact O-CE2 3.48Å; E127-Y129 PolarHBondContact OE1-OH 3.25Å; E127-Y129 PolarHBondContact OE2-OH 2.91Å
128Q90.8Very high73.1Confident101 Ų10173.2 Ų73.247%0.47241%0.412SS..  trans-85.6141.4175.2-70.5-171-35.400111.6E126E126-Q128 PolarHBondContact O-N 3.09Å
129Y94.4Very high75.4Confident15 Ų1568.9 Ų68.96%0.05938%0.382CS..EExtended strand (participates in β ladder)trans-117.1134.4-179.8-62.3-74.2000111.2L50 F51 V53 V74 K78 A83 K84 T85 E127L50-Y129 WeakPolarHBondContact CA-O 3.5Å; F51-Y129 HydrophobicContact CE2-CD2 4.23Å; F51-Y129 HydrophobicContact CE2-CG 4.3Å; F51-Y129 HydrophobicContact CZ-CG 4.45Å; F51-Y129 PolarHBondContact N-O 2.93Å; F51-Y129 PolarHBondContact O-N 3.07Å; V53-Y129 HydrophobicContact CG2-CE2 4.19Å; V74-Y129 HydrophobicContact CG1-CD2 3.85Å; V74-Y129 HydrophobicContact CG1-CE1 4.44Å; V74-Y129 HydrophobicContact CG1-CE2 3.69Å; V74-Y129 HydrophobicContact CG1-CG 4.26Å; K78-Y129 HydrophobicContact CD-CD1 4.23Å; K78-Y129 HydrophobicContact CD-CE1 3.38Å; K78-Y129 VanDerWaalsContact CE-CE1 3.42Å; K78-Y129 HydrophobicContact CG-CD1 4.22Å; K78-Y129 HydrophobicContact CG-CE1 3.86Å; K78-Y129 PolarHBondContact NZ-OH 3.18Å; A83-Y129 HydrophobicContact CB-CD1 4.49Å; K84-Y129 CarbonylContact O-C 3.58Å; K84-Y129 WeakPolarHBondContact O-CA 3.47Å; T85-Y129 HydrophobicContact CG2-CD1 4.49Å; T85-Y129 HydrophobicContact CG2-CE1 4.27Å; E127-Y129 HydrophobicContact CB-CE2 4.4Å; E127-Y129 HydrophobicContact CG-CE1 4.13Å; E127-Y129 HydrophobicContact CG-CE2 4.33Å; E127-Y129 WeakPolarHBondContact O-CD2 3.47Å; E127-Y129 VanDerWaalsContact O-CE2 3.32Å; E127-Y129 WeakPolarHBondContact O-CE2 3.48Å; E127-Y129 PolarHBondContact OE1-OH 3.25Å; E127-Y129 PolarHBondContact OE2-OH 2.91Å
130V95.4Very high78Confident0 Ų068.7 Ų68.70%037%0.373CS..EExtended strand (participates in β ladder)trans-85.5121.1168.6-175.40000108.5L50 A83 K84 I86 F89 V132 I135 L182L50-V130 HydrophobicContact CD2-CB 4.4Å; L50-V130 HydrophobicContact CD2-CG2 3.76Å; A83-V130 WeakPolarHBondContact CA-O 3.45Å; K84-V130 PolarHBondContact N-O 3.26Å; K84-V130 VanDerWaalsContact N-O 3.1Å; K84-V130 PolarHBondContact O-N 2.99Å; I86-V130 HydrophobicContact CB-CG2 4.44Å; I86-V130 HydrophobicContact CG1-CG2 3.72Å; F89-V130 HydrophobicContact CB-CB 4.41Å; F89-V130 HydrophobicContact CB-CG2 4.28Å; F89-V130 HydrophobicContact CD1-CG1 4.18Å; F89-V130 HydrophobicContact CD2-CG1 4.13Å; F89-V130 HydrophobicContact CE1-CG1 4.33Å; F89-V130 HydrophobicContact CE2-CG1 4.33Å; F89-V130 HydrophobicContact CG-CB 4.41Å; F89-V130 HydrophobicContact CG-CG1 4.04Å; F89-V130 HydrophobicContact CZ-CG1 4.4Å; V130-V132 PolarHBondContact O-N 2.83Å; V130-I135 HydrophobicContact CG1-CD1 4.2Å; V130-I135 HydrophobicContact CG1-CG1 3.46Å; V130-I135 VanDerWaalsContact CG1-CG1 3.46Å; V130-L182 HydrophobicContact CG1-CD1 4Å; V130-L182 HydrophobicContact CG2-CD1 3.65Å
131F96.1Very high80.6Confident10 Ų1067.8 Ų67.84%0.04435%0.354CS..EExtended strand (participates in β ladder)trans-76.8102.1169-155.7-30.6000109.3I39 H40 A49 F51 M77 S133 L134 I135I39-F131 HydrophobicContact CG2-CD2 4.16Å; I39-F131 HydrophobicContact CG2-CE2 4.01Å; H40-F131 HydrophobicContact CB-CE2 3.83Å; H40-F131 HydrophobicContact CB-CZ 4.08Å; A49-F131 PolarHBondContact O-N 3.44Å; F51-F131 HydrophobicContact CD1-CB 4.23Å; F51-F131 HydrophobicContact CE1-CB 3.81Å; F51-F131 HydrophobicContact CE1-CD2 4.11Å; F51-F131 HydrophobicContact CE1-CG 4.19Å; M77-F131 HydrophobicContact CE-CD1 4.38Å; M77-F131 HydrophobicContact CE-CD2 4.15Å; M77-F131 HydrophobicContact CE-CE1 3.99Å; M77-F131 HydrophobicContact CE-CE2 3.75Å; M77-F131 HydrophobicContact CE-CG 4.46Å; M77-F131 HydrophobicContact CE-CZ 3.67Å; F131-S133 WeakPolarHBondContact CD1-OG 3.45Å; F131-S133 WeakPolarHBondContact CE1-OG 3.47Å; F131-S133 PolarHBondContact O-N 2.79Å; F131-L134 HydrophobicContact CB-CB 4.03Å; F131-L134 HydrophobicContact CD1-CB 4.38Å; F131-L134 HydrophobicContact CG-CB 4.1Å; F131-L134 PolarHBondContact O-N 3.04Å; F131-I135 PolarHBondContact O-N 3.1Å
132V95Very high83.3Confident15 Ų1563.1 Ų63.19%0.09132%0.322CS..Hα-helixtrans-61.3-46.2-169.5175.60000112.9G81 D82 K84 F89 V130 L134 I135 K136G81-V132 WeakPolarHBondContact O-CG2 3.49Å; D82-V132 PolarHBondContact O-N 2.85Å; K84-V132 HydrophobicContact CB-CG2 4.23Å; K84-V132 HydrophobicContact CD-CG2 3.97Å; K84-V132 HydrophobicContact CG-CG2 3.84Å; F89-V132 HydrophobicContact CD2-CG2 4Å; F89-V132 HydrophobicContact CE2-CG1 4.21Å; F89-V132 HydrophobicContact CE2-CG2 4.25Å; V130-V132 PolarHBondContact O-N 2.83Å; V132-L134 VanDerWaalsContact C-N 3.33Å; V132-L134 PolarHBondContact O-N 2.96Å; V132-I135 PolarHBondContact O-N 3.23Å; V132-K136 WeakPolarHBondContact O-CG 3.43Å; V132-K136 PolarHBondContact O-N 3.47Å
133S94.8Very high85.9Confident42 Ų4255.7 Ų55.729%0.29428%0.28SS..Hα-helixtrans-65-39179.861.50000111.8F131 K136 E137F131-S133 WeakPolarHBondContact CD1-OG 3.45Å; F131-S133 WeakPolarHBondContact CE1-OG 3.47Å; F131-S133 PolarHBondContact O-N 2.79Å; S133-K136 WeakPolarHBondContact O-CB 3.48Å; S133-K136 PolarHBondContact O-N 3.41Å; S133-K136 VanDerWaalsContact O-N 3.12Å; S133-E137 PolarHBondContact O-N 3.34Å
134L95.4Very high88.1Confident0 Ų054.9 Ų54.90%027%0.269CS..Hα-helixtrans-69.3-35.8-179.4-17358.8000112.2C43 V44 A49 F131 V132 K136 E137 F138C43-L134 HydrophobicContact CB-CD2 3.31Å; V44-L134 HydrophobicContact CG2-CD1 3.56Å; V44-L134 HydrophobicContact CG2-CD2 4.36Å; A49-L134 HydrophobicContact CB-CB 4.34Å; A49-L134 HydrophobicContact CB-CD2 4.14Å; A49-L134 HydrophobicContact CB-CG 4.17Å; F131-L134 HydrophobicContact CB-CB 4.03Å; F131-L134 HydrophobicContact CD1-CB 4.38Å; F131-L134 HydrophobicContact CG-CB 4.1Å; F131-L134 PolarHBondContact O-N 3.04Å; V132-L134 VanDerWaalsContact C-N 3.33Å; V132-L134 PolarHBondContact O-N 2.96Å; L134-K136 VanDerWaalsContact C-N 3.26Å; L134-K136 PolarHBondContact O-N 2.82Å; L134-E137 HydrophobicContact CD1-CB 4.47Å; L134-E137 PolarHBondContact O-N 2.82Å; L134-F138 HydrophobicContact CD1-CD1 4.11Å; L134-F138 HydrophobicContact CD1-CE1 3.66Å; L134-F138 HydrophobicContact CD1-CE2 4.24Å; L134-F138 HydrophobicContact CD1-CZ 3.74Å; L134-F138 HydrophobicContact CD2-CE2 4.06Å; L134-F138 HydrophobicContact CD2-CZ 3.96Å; L134-F138 HydrophobicContact CG-CD2 4.2Å; L134-F138 HydrophobicContact CG-CE1 4.15Å; L134-F138 HydrophobicContact CG-CE2 3.81Å; L134-F138 HydrophobicContact CG-CZ 3.78Å; L134-F138 WeakPolarHBondContact O-CB 3.46Å; L134-F138 WeakPolarHBondContact O-CG 3.38Å; L134-F138 PolarHBondContact O-N 3.36Å
135I95.2Very high89.9Confident0 Ų047.2 Ų47.20%023%0.234CC..Hα-helixtrans-58.8-40.5170.3-69.4-67000111.1A49 F89 V130 F131 V132 F138 A139 T179 L182 A183 H186A49-I135 HydrophobicContact CB-CD1 3.43Å; A49-I135 VanDerWaalsContact CB-CD1 3.43Å; A49-I135 HydrophobicContact CB-CG1 3.8Å; F89-I135 HydrophobicContact CE1-CG2 4.1Å; F89-I135 HydrophobicContact CZ-CB 4Å; F89-I135 HydrophobicContact CZ-CG1 4.2Å; F89-I135 HydrophobicContact CZ-CG2 3.53Å; V130-I135 HydrophobicContact CG1-CD1 4.2Å; V130-I135 HydrophobicContact CG1-CG1 3.46Å; V130-I135 VanDerWaalsContact CG1-CG1 3.46Å; F131-I135 PolarHBondContact O-N 3.1Å; V132-I135 PolarHBondContact O-N 3.23Å; I135-F138 PolarHBondContact O-N 2.83Å; I135-A139 WeakPolarHBondContact O-CB 3.37Å; I135-A139 PolarHBondContact O-N 3.47Å; I135-T179 HydrophobicContact CD1-CG2 3.93Å; I135-L182 HydrophobicContact CD1-CB 3.85Å; I135-L182 HydrophobicContact CD1-CD1 4.43Å; I135-A183 HydrophobicContact CG2-CB 4.49Å; I135-H186 HydrophobicContact CG2-CB 4.17Å
136K94.8Very high91Very high97 Ų9741.4 Ų41.442%0.42220%0.197SC..Hα-helixtrans-64-45.3177-60.6176.6-179.7178.60111.2V132 S133 L134 F138 A139 D140V132-K136 WeakPolarHBondContact O-CG 3.43Å; V132-K136 PolarHBondContact O-N 3.47Å; S133-K136 WeakPolarHBondContact O-CB 3.48Å; S133-K136 PolarHBondContact O-N 3.41Å; S133-K136 VanDerWaalsContact O-N 3.12Å; L134-K136 VanDerWaalsContact C-N 3.26Å; L134-K136 PolarHBondContact O-N 2.82Å; K136-F138 PolarHBondContact O-N 3.28Å; K136-A139 WeakPolarHBondContact O-CB 3.44Å; K136-A139 PolarHBondContact O-N 3.22Å; K136-D140 PolarHBondContact O-N 3.22Å
137E95.1Very high91Very high70 Ų7041.9 Ų41.933%0.32720%0.202SC..Hα-helixtrans-62.2-41.4176.8-69.3176.7-144.100112.7H40 S133 L134 D140 K141H40-E137 IonicContact NE2-OE1 2.84Å; H40-E137 IonicContact NE2-OE2 3.74Å; S133-E137 PolarHBondContact O-N 3.34Å; L134-E137 HydrophobicContact CD1-CB 4.47Å; L134-E137 PolarHBondContact O-N 2.82Å; E137-D140 PolarHBondContact O-N 2.98Å; E137-K141 WeakPolarHBondContact O-CG 3.47Å; E137-K141 PolarHBondContact O-N 3.44Å; E137-K141 VanDerWaalsContact O-N 3.11Å
138F94.9Very high89.9Confident4 Ų443.3 Ų43.32%0.01821%0.213CC..Hα-helixtrans-66.4-42.6174.4-71.2-15.9000111.5A49 L134 I135 K136 D140 K141 I142 I173 T179A49-F138 HydrophobicContact CB-CD2 4.15Å; A49-F138 HydrophobicContact CB-CE2 4.01Å; L134-F138 HydrophobicContact CD1-CD1 4.11Å; L134-F138 HydrophobicContact CD1-CE1 3.66Å; L134-F138 HydrophobicContact CD1-CE2 4.24Å; L134-F138 HydrophobicContact CD1-CZ 3.74Å; L134-F138 HydrophobicContact CD2-CE2 4.06Å; L134-F138 HydrophobicContact CD2-CZ 3.96Å; L134-F138 HydrophobicContact CG-CD2 4.2Å; L134-F138 HydrophobicContact CG-CE1 4.15Å; L134-F138 HydrophobicContact CG-CE2 3.81Å; L134-F138 HydrophobicContact CG-CZ 3.78Å; L134-F138 WeakPolarHBondContact O-CB 3.46Å; L134-F138 WeakPolarHBondContact O-CG 3.38Å; L134-F138 PolarHBondContact O-N 3.36Å; I135-F138 PolarHBondContact O-N 2.83Å; K136-F138 PolarHBondContact O-N 3.28Å; F138-D140 VanDerWaalsContact C-N 3.32Å; F138-D140 PolarHBondContact O-N 3.46Å; F138-K141 PolarHBondContact O-N 3.32Å; F138-I142 VanDerWaalsContact O-CB 3.22Å; F138-I142 WeakPolarHBondContact O-CB 3.48Å; F138-I142 WeakPolarHBondContact O-CD1 3.35Å; F138-I142 WeakPolarHBondContact O-CG1 3.09Å; F138-I142 PolarHBondContact O-N 3.04Å; F138-I173 HydrophobicContact CB-CG2 4.22Å; F138-I173 HydrophobicContact CD1-CG2 3.92Å; F138-I173 HydrophobicContact CG-CG2 4.22Å; F138-T179 HydrophobicContact CD2-CG2 3.45Å; F138-T179 VanDerWaalsContact CD2-CG2 3.45Å; F138-T179 HydrophobicContact CE2-CG2 3.79Å
139A94.2Very high88.4Confident0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-57.8-43.2174.600000111.8I135 K136 I142 Y143 A183 H186 L187I135-A139 WeakPolarHBondContact O-CB 3.37Å; I135-A139 PolarHBondContact O-N 3.47Å; K136-A139 WeakPolarHBondContact O-CB 3.44Å; K136-A139 PolarHBondContact O-N 3.22Å; A139-I142 WeakPolarHBondContact O-CB 3.15Å; A139-I142 PolarHBondContact O-N 2.89Å; A139-Y143 WeakPolarHBondContact O-CB 3.24Å; A139-Y143 PolarHBondContact O-N 3.35Å; A139-A183 HydrophobicContact CB-CB 4.18Å; A139-H186 HydrophobicContact CB-CB 4.33Å; A139-L187 HydrophobicContact CB-CD2 3.92Å; A139-L187 HydrophobicContact CB-CG 3.92Å
140D93.7Very high86.3Confident90 Ų9043.4 Ų43.448%0.48123%0.226SC..Hα-helixtrans-63-44.7176.6-69.9-21.8000111.6K136 E137 F138 Y143 E144K136-D140 PolarHBondContact O-N 3.22Å; E137-D140 PolarHBondContact O-N 2.98Å; F138-D140 VanDerWaalsContact C-N 3.32Å; F138-D140 PolarHBondContact O-N 3.46Å; D140-Y143 WeakPolarHBondContact O-CB 3.47Å; D140-Y143 PolarHBondContact O-N 2.95Å; D140-E144 WeakPolarHBondContact O-CG 3.39Å; D140-E144 PolarHBondContact O-N 3.37Å
141K92.8Very high84.2Confident96 Ų9648.9 Ų48.942%0.41726%0.255SS..Hα-helixtrans-64.1-41.7176.1-67.9171.1-176.3170.30112.2E137 F138 Y143 E144 L145 I173E137-K141 WeakPolarHBondContact O-CG 3.47Å; E137-K141 PolarHBondContact O-N 3.44Å; E137-K141 VanDerWaalsContact O-N 3.11Å; F138-K141 PolarHBondContact O-N 3.32Å; K141-Y143 VanDerWaalsContact C-N 3.33Å; K141-E144 PolarHBondContact O-N 3.47Å; K141-L145 PolarHBondContact O-N 3.45Å; K141-L145 VanDerWaalsContact O-N 3.09Å; K141-I173 HydrophobicContact CB-CD1 3.81Å; K141-I173 HydrophobicContact CB-CG1 4.41Å; K141-I173 HydrophobicContact CB-CG2 3.98Å; K141-I173 HydrophobicContact CD-CG2 4.18Å
142I91.5Very high82.1Confident0 Ų056.5 Ų56.50%029%0.291CS..Hα-helixtrans-61.1-43.3175.7-79.8169.4000110.3F138 A139 E144 L145 F166 I173 L180 A183 L187F138-I142 VanDerWaalsContact O-CB 3.22Å; F138-I142 WeakPolarHBondContact O-CB 3.48Å; F138-I142 WeakPolarHBondContact O-CD1 3.35Å; F138-I142 WeakPolarHBondContact O-CG1 3.09Å; F138-I142 PolarHBondContact O-N 3.04Å; A139-I142 WeakPolarHBondContact O-CB 3.15Å; A139-I142 PolarHBondContact O-N 2.89Å; I142-E144 VanDerWaalsContact C-N 3.31Å; I142-E144 PolarHBondContact O-N 2.84Å; I142-L145 WeakPolarHBondContact O-CB 3.25Å; I142-L145 PolarHBondContact O-N 3.3Å; I142-F166 HydrophobicContact CB-CZ 4.44Å; I142-F166 HydrophobicContact CG2-CE1 3.67Å; I142-F166 HydrophobicContact CG2-CZ 3.4Å; I142-F166 VanDerWaalsContact CG2-CZ 3.4Å; I142-I173 HydrophobicContact CG1-CD1 4.08Å; I142-I173 HydrophobicContact CG1-CG2 4.24Å; I142-L180 HydrophobicContact CD1-CD1 3.68Å; I142-L180 HydrophobicContact CG1-CD1 4.45Å; I142-A183 HydrophobicContact CD1-CB 3.52Å; I142-L187 HydrophobicContact CB-CD1 4.43Å; I142-L187 HydrophobicContact CG2-CD1 3.62Å
143Y90.8Very high80Confident28 Ų2858.9 Ų58.911%0.1131%0.308CS..Hα-helixtrans-61.1-43.2175.3-176.3-117.5000110.4A139 D140 K141 L145 R146 L187 L192 F208 R209A139-Y143 WeakPolarHBondContact O-CB 3.24Å; A139-Y143 PolarHBondContact O-N 3.35Å; D140-Y143 WeakPolarHBondContact O-CB 3.47Å; D140-Y143 PolarHBondContact O-N 2.95Å; K141-Y143 VanDerWaalsContact C-N 3.33Å; Y143-L145 VanDerWaalsContact C-N 3.31Å; Y143-L145 PolarHBondContact O-N 3.17Å; Y143-R146 VanDerWaalsContact CE1-NH2 3.35Å; Y143-R146 VanDerWaalsContact CG-NH1 3.34Å; Y143-R146 WeakPolarHBondContact O-CB 3.29Å; Y143-R146 VanDerWaalsContact O-CD 3.26Å; Y143-R146 WeakPolarHBondContact O-CD 3.22Å; Y143-R146 WeakPolarHBondContact O-CG 3.36Å; Y143-R146 PolarHBondContact O-N 3.4Å; Y143-R146 PolarHBondContact O-NH1 3.42Å; Y143-L187 HydrophobicContact CG-CD2 4.46Å; Y143-L192 HydrophobicContact CD2-CB 4.15Å; Y143-L192 HydrophobicContact CD2-CD1 4.43Å; Y143-L192 HydrophobicContact CE2-CB 3.96Å; Y143-L192 HydrophobicContact CE2-CD2 4.15Å; Y143-L192 HydrophobicContact CE2-CG 4.43Å; Y143-F208 AromaticContact CD2-CD1 3.99Å; Y143-F208 HydrophobicContact CD2-CD1 3.99Å; Y143-R209 PolarHBondContact OH-O 3.34Å
144E88Confident77.8Confident94 Ų9458.4 Ų58.444%0.43930%0.304SS..Hα-helixtrans-67.5-22.9178.1-70.5-54.911700114.7D140 K141 I142 R146 N147D140-E144 WeakPolarHBondContact O-CG 3.39Å; D140-E144 PolarHBondContact O-N 3.37Å; K141-E144 PolarHBondContact O-N 3.47Å; I142-E144 VanDerWaalsContact C-N 3.31Å; I142-E144 PolarHBondContact O-N 2.84Å; E144-R146 PolarHBondContact O-N 2.94Å; E144-R146 VanDerWaalsContact O-N 3.14Å; E144-R146 IonicContact OE1-CZ 2.77Å; E144-R146 IonicContact OE1-NH1 2.94Å; E144-R146 PolarHBondContact OE1-NH1 3.26Å; E144-R146 IonicContact OE1-NH2 2.91Å; E144-N147 WeakPolarHBondContact O-CB 3.48Å; E144-N147 PolarHBondContact O-N 2.94Å; E144-N147 VanDerWaalsContact O-N 3.08Å; E144-N147 PolarHBondContact OE2-ND2 2.79Å
145L82.4Confident75.7Confident30 Ų3059.2 Ų59.216%0.15731%0.309CS..Hα-helixtrans-56.7-29.7173.4-75.6-180000112.6K141 I142 Y143 N147 N148 V149 A170 I173K141-L145 PolarHBondContact O-N 3.45Å; K141-L145 VanDerWaalsContact O-N 3.09Å; I142-L145 WeakPolarHBondContact O-CB 3.25Å; I142-L145 PolarHBondContact O-N 3.3Å; Y143-L145 VanDerWaalsContact C-N 3.31Å; Y143-L145 PolarHBondContact O-N 3.17Å; L145-N147 PolarHBondContact O-N 3Å; L145-N148 PolarHBondContact O-N 3.24Å; L145-V149 WeakPolarHBondContact O-CG2 3.34Å; L145-V149 PolarHBondContact O-N 3.25Å; L145-A170 HydrophobicContact CD1-CB 4.13Å; L145-I173 HydrophobicContact CD1-CD1 3.41Å; L145-I173 VanDerWaalsContact CD1-CD1 3.41Å; L145-I173 HydrophobicContact CD1-CG1 4.44Å; L145-I173 HydrophobicContact CD2-CD1 4.09Å; L145-I173 HydrophobicContact CG-CD1 3.59Å
146R77.5Confident73.9Confident14 Ų1459.7 Ų59.75%0.05331%0.311CS..THydrogen-bonded Turntrans-51.9-31.5177.382.7-169.6179.7-76.3-2.5112.8Y143 E144 F161 F208Y143-R146 VanDerWaalsContact CE1-NH2 3.35Å; Y143-R146 VanDerWaalsContact CG-NH1 3.34Å; Y143-R146 WeakPolarHBondContact O-CB 3.29Å; Y143-R146 VanDerWaalsContact O-CD 3.26Å; Y143-R146 WeakPolarHBondContact O-CD 3.22Å; Y143-R146 WeakPolarHBondContact O-CG 3.36Å; Y143-R146 PolarHBondContact O-N 3.4Å; Y143-R146 PolarHBondContact O-NH1 3.42Å; E144-R146 PolarHBondContact O-N 2.94Å; E144-R146 VanDerWaalsContact O-N 3.14Å; E144-R146 IonicContact OE1-CZ 2.77Å; E144-R146 IonicContact OE1-NH1 2.94Å; E144-R146 PolarHBondContact OE1-NH1 3.26Å; E144-R146 IonicContact OE1-NH2 2.91Å; R146-F161 HydrophobicContact CB-CE2 4.4Å; R146-F208 HydrophobicContact CB-CB 4.49Å
147N72.2Confident72.2Confident80 Ų8056.3 Ų56.343%0.42831%0.305SS..THydrogen-bonded Turntrans-78.3-22.7-177.8-63.1-33.7000112.8E144 L145E144-N147 WeakPolarHBondContact O-CB 3.48Å; E144-N147 PolarHBondContact O-N 2.94Å; E144-N147 VanDerWaalsContact O-N 3.08Å; E144-N147 PolarHBondContact OE2-ND2 2.79Å; L145-N147 PolarHBondContact O-N 3Å
148N63.6Low70.9Confident124 Ų12459.7 Ų59.766%0.66332%0.32SS*.THydrogen-bonded Turntrans-97.3-15.7-172.5-65.6-24.5000113L145 S150L145-N148 PolarHBondContact O-N 3.24Å; N148-S150 VanDerWaalsContact C-N 3.29Å; N148-S150 PolarHBondContact O-N 3.36Å
149V58.6Low70.3Confident19 Ų1960.5 Ų60.512%0.11533%0.325CS..  trans-86.975.8177.1-157.30000109.1L145 T154 T155 F161L145-V149 WeakPolarHBondContact O-CG2 3.34Å; L145-V149 PolarHBondContact O-N 3.25Å; V149-T154 HydrophobicContact CG1-CG2 4.45Å; V149-T155 HydrophobicContact CB-CG2 3.8Å; V149-T155 HydrophobicContact CG1-CG2 3.35Å; V149-T155 VanDerWaalsContact O-CG2 3.26Å; V149-T155 WeakPolarHBondContact O-CG2 3.39Å; V149-F161 HydrophobicContact CB-CE1 3.67Å; V149-F161 HydrophobicContact CB-CZ 4.12Å; V149-F161 HydrophobicContact CG1-CE1 3.93Å; V149-F161 HydrophobicContact CG2-CE1 3.75Å; V149-F161 HydrophobicContact CG2-CZ 4.21Å
150S50.7Low70Confident98 Ų9860.5 Ų60.569%0.68533%0.325SS*.  trans-104.211.8176.359.60000113.1N148 E152N148-S150 VanDerWaalsContact C-N 3.29Å; N148-S150 PolarHBondContact O-N 3.36Å; S150-E152 PolarHBondContact O-N 3.31Å
151D51.8Low69.7Low115 Ų11556.4 Ų56.462%0.61530%0.303SS*.  trans-73.7114.6174.5-100.6-11.8000109.7S153 T154 T155D151-S153 PolarHBondContact O-N 2.72Å; D151-T154 PolarHBondContact O-N 2.92Å; D151-T155 PolarHBondContact O-N 3.4Å; D151-T155 PolarHBondContact O-OG1 2.98Å
152E51.9Low69.4Low170 Ų17052.1 Ų52.179%0.79429%0.285SS*.THydrogen-bonded Turntrans-52.1-12.7173.2-63.7-177.2166.800113.3S150 K233S150-E152 PolarHBondContact O-N 3.31Å; E152-K233 PolarHBondContact O-NZ 3.4Å
153S50.1Low69.3Low65 Ų6552.9 Ų52.946%0.45529%0.288SS..THydrogen-bonded Turntrans-80-26177.1-1580000113.7D151 K234D151-S153 PolarHBondContact O-N 2.72Å; S153-K234 WeakPolarHBondContact O-CE 3.37Å
154T49.5Very low69.1Low33 Ų3354.4 Ų54.420%0.20230%0.302CS..THydrogen-bonded Turntrans-119.7-27.2-165.3-56.60000113.4V149 D151 D165V149-T154 HydrophobicContact CG1-CG2 4.45Å; D151-T154 PolarHBondContact O-N 2.92Å; T154-D165 HydrophobicContact CG2-CB 4.2Å
155T50.2Low68.9Low17 Ų1751.4 Ų51.410%0.10429%0.289CS..  trans-101.9147.6-172.252.80000114V149 D151 G157 F161V149-T155 HydrophobicContact CB-CG2 3.8Å; V149-T155 HydrophobicContact CG1-CG2 3.35Å; V149-T155 VanDerWaalsContact O-CG2 3.26Å; V149-T155 WeakPolarHBondContact O-CG2 3.39Å; D151-T155 PolarHBondContact O-N 3.4Å; D151-T155 PolarHBondContact O-OG1 2.98Å; T155-G157 WeakPolarHBondContact CB-O 3.22Å; T155-F161 HydrophobicContact CG2-CD1 4.32Å; T155-F161 HydrophobicContact CG2-CE1 3.63Å; T155-F161 HydrophobicContact CG2-CZ 4.23Å
156V56.8Low69.1Low9 Ų950 Ų506%0.05528%0.282CS..BIsolated β-bridgetrans-11084.2178.8-179.70000104.6V160 A226 V227 V230V156-V160 HydrophobicContact CB-CB 4.24Å; V156-V160 HydrophobicContact CG1-CB 4.49Å; V156-V160 WeakPolarHBondContact O-CB 3.46Å; V156-A226 HydrophobicContact CG1-CB 3.07Å; V156-V227 HydrophobicContact CB-CG2 4.21Å; V156-V227 HydrophobicContact CG1-CG2 4.15Å; V156-V227 HydrophobicContact CG2-CB 4.28Å; V156-V227 HydrophobicContact CG2-CG2 3.84Å; V156-V230 HydrophobicContact CB-CG2 4.41Å; V156-V230 HydrophobicContact CG2-CB 3.7Å; V156-V230 HydrophobicContact CG2-CG1 4.23Å; V156-V230 HydrophobicContact CG2-CG2 3.44Å; V156-V230 VanDerWaalsContact CG2-CG2 3.44Å
157G60.7Low69.6Low27 Ų2755.7 Ų55.728%0.27830%0.303SS..THydrogen-bonded Turntrans60.7178.6-16100000114.2T155 N159 E298T155-G157 WeakPolarHBondContact CB-O 3.22Å; G157-N159 PolarHBondContact O-N 2.94Å; G157-N159 VanDerWaalsContact O-N 3.11Å; G157-E298 PolarHBondContact N-OE1 3.46Å
158Q66.2Low70.2Confident141 Ų14159 Ų5966%0.65932%0.316SS*.THydrogen-bonded Turntrans-73.2-3.9-168.1-68.1179.4-19.800115.2M210Q158-M210 HydrophobicContact CB-CE 4.02Å
159N82.9Confident71.2Confident20 Ų2056.1 Ų56.111%0.10730%0.301CS..THydrogen-bonded Turntrans-147.67.3-168.265.7-35.2000116.6G157 K207 F208 M210G157-N159 PolarHBondContact O-N 2.94Å; G157-N159 VanDerWaalsContact O-N 3.11Å; N159-K207 CarbonylContact O-C 3.59Å; N159-K207 WeakPolarHBondContact O-CA 3.47Å; N159-F208 HydrophobicContact CB-CB 4.4Å; N159-F208 WeakPolarHBondContact CB-O 3.49Å; N159-F208 PolarHBondContact ND2-O 3.13Å; N159-F208 PolarHBondContact O-N 3.41Å; N159-M210 HydrophobicContact CB-CG 4.18Å; N159-M210 HydrophobicContact CB-SD 3.68Å
160V87.8Confident72.7Confident1 Ų155.2 Ų55.21%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-112.4132.3176.8-173.50000110.5V156 I205 L206 K207 D223 V227V156-V160 HydrophobicContact CB-CB 4.24Å; V156-V160 HydrophobicContact CG1-CB 4.49Å; V156-V160 WeakPolarHBondContact O-CB 3.46Å; V160-I205 HydrophobicContact CG1-CG2 3.61Å; V160-L206 CarbonylContact C-O 3.59Å; V160-L206 WeakPolarHBondContact CA-O 3.29Å; V160-K207 HydrophobicContact CG2-CB 4.28Å; V160-K207 HydrophobicContact CG2-CD 4.08Å; V160-K207 HydrophobicContact CG2-CG 3.96Å; V160-D223 HydrophobicContact CG1-CB 4.31Å; V160-D223 HydrophobicContact CG2-CB 4.12Å; V160-D223 WeakPolarHBondContact CG2-OD1 3.15Å; V160-V227 HydrophobicContact CG1-CG2 3.71Å
161F86.9Confident74.5Confident3 Ų353 Ų531%0.01328%0.283CS..EExtended strand (participates in β ladder)trans-138.1151.5-175.6-58.2-91.2000110.9R146 V149 T155 F166 I205 L206 F208R146-F161 HydrophobicContact CB-CE2 4.4Å; V149-F161 HydrophobicContact CB-CE1 3.67Å; V149-F161 HydrophobicContact CB-CZ 4.12Å; V149-F161 HydrophobicContact CG1-CE1 3.93Å; V149-F161 HydrophobicContact CG2-CE1 3.75Å; V149-F161 HydrophobicContact CG2-CZ 4.21Å; T155-F161 HydrophobicContact CG2-CD1 4.32Å; T155-F161 HydrophobicContact CG2-CE1 3.63Å; T155-F161 HydrophobicContact CG2-CZ 4.23Å; F161-F166 HydrophobicContact CB-CB 4.19Å; F161-F166 HydrophobicContact CB-CD2 4.28Å; F161-F166 HydrophobicContact CD1-CD2 4.4Å; F161-F166 HydrophobicContact CG-CD2 4.15Å; F161-I205 CarbonylContact O-C 3.56Å; F161-I205 WeakPolarHBondContact O-CA 3.36Å; F161-L206 PolarHBondContact N-O 2.76Å; F161-L206 PolarHBondContact O-N 3.42Å; F161-F208 AromaticContact CD2-CD2 3.52Å; F161-F208 HydrophobicContact CD2-CD2 3.52Å; F161-F208 AromaticContact CD2-CE2 3.57Å; F161-F208 HydrophobicContact CD2-CE2 3.57Å; F161-F208 AromaticContact CE2-CD2 3.68Å; F161-F208 HydrophobicContact CE2-CD2 3.68Å; F161-F208 HydrophobicContact CE2-CE2 4.03Å; F161-F208 HydrophobicContact CG-CE2 4.41Å
162T87.8Confident76.3Confident7 Ų753.7 Ų53.74%0.04329%0.287CS..EExtended strand (participates in β ladder)trans-82.3154.1161.965.60000109.7S164 D165 F166 D203 T204 V227T162-S164 VanDerWaalsContact C-N 3.26Å; T162-S164 PolarHBondContact O-N 3.41Å; T162-D165 PolarHBondContact O-N 2.94Å; T162-D165 VanDerWaalsContact OG1-CB 3.22Å; T162-D165 WeakPolarHBondContact OG1-CB 3.47Å; T162-D165 PolarHBondContact OG1-N 2.95Å; T162-D165 VanDerWaalsContact OG1-N 3.09Å; T162-D165 PolarHBondContact OG1-OD2 3.46Å; T162-F166 WeakPolarHBondContact O-CB 3.28Å; T162-F166 PolarHBondContact O-N 3.21Å; T162-D203 WeakPolarHBondContact CB-OD2 3.33Å; T162-T204 CarbonylContact C-O 3.51Å; T162-V227 HydrophobicContact CG2-CG1 3.55Å
163W88.9Confident78.2Confident16 Ų1646.7 Ų46.76%0.06125%0.254CS..Hα-helixtrans-60.8-42.5176.9-177.5-95.7000110.5L109 F166 R167 E177 L180 V181 V184 D203 T204 L206L109-W163 HydrophobicContact CD2-CH2 4.4Å; L109-W163 HydrophobicContact CD2-CZ3 4.08Å; W163-F166 PolarHBondContact O-N 3.48Å; W163-R167 WeakPolarHBondContact O-CB 3.25Å; W163-R167 PolarHBondContact O-N 2.79Å; W163-E177 PolarHBondContact NE1-OE1 2.9Å; W163-L180 HydrophobicContact CH2-CD2 4.21Å; W163-L180 HydrophobicContact CH2-CG 3.87Å; W163-L180 HydrophobicContact CZ2-CD2 3.87Å; W163-L180 HydrophobicContact CZ2-CG 3.96Å; W163-V181 HydrophobicContact CH2-CB 4.43Å; W163-V181 HydrophobicContact CH2-CG2 3.72Å; W163-V181 HydrophobicContact CZ2-CG2 3.58Å; W163-V184 HydrophobicContact CH2-CB 4.41Å; W163-V184 HydrophobicContact CH2-CG2 4.09Å; W163-V184 HydrophobicContact CZ3-CB 4.12Å; W163-V184 HydrophobicContact CZ3-CG1 4.14Å; W163-V184 HydrophobicContact CZ3-CG2 3.83Å; W163-D203 WeakPolarHBondContact CB-OD1 3.16Å; W163-D203 PolarHBondContact N-OD1 3.38Å; W163-T204 WeakPolarHBondContact CB-O 3.44Å; W163-T204 PolarHBondContact N-O 3.32Å; W163-L206 HydrophobicContact CE3-CD1 3.82Å; W163-L206 HydrophobicContact CE3-CD2 4.1Å; W163-L206 HydrophobicContact CE3-CG 4.26Å; W163-L206 HydrophobicContact CZ3-CD1 4.15Å; W163-L206 HydrophobicContact CZ3-CD2 4.37Å
164S86.2Confident80.1Confident59 Ų5943.9 Ų43.941%0.41324%0.235SC..Hα-helixtrans-56.3-53.2177.7-52.20000112.1T162 F166 R167 E168 D203T162-S164 VanDerWaalsContact C-N 3.26Å; T162-S164 PolarHBondContact O-N 3.41Å; S164-F166 VanDerWaalsContact C-N 3.33Å; S164-F166 PolarHBondContact O-N 3.25Å; S164-R167 PolarHBondContact O-N 3.39Å; S164-E168 PolarHBondContact O-N 2.66Å; S164-D203 PolarHBondContact OG-OD1 2.65Å; S164-D203 PolarHBondContact OG-OD2 3.14Å
165D83.4Confident81.9Confident31 Ų3145.9 Ų45.917%0.16625%0.25CS..Hα-helixtrans-67-37178.9-66.1-40000111.4T154 T162 N169 K234T154-D165 HydrophobicContact CG2-CB 4.2Å; T162-D165 PolarHBondContact O-N 2.94Å; T162-D165 VanDerWaalsContact OG1-CB 3.22Å; T162-D165 WeakPolarHBondContact OG1-CB 3.47Å; T162-D165 PolarHBondContact OG1-N 2.95Å; T162-D165 VanDerWaalsContact OG1-N 3.09Å; T162-D165 PolarHBondContact OG1-OD2 3.46Å; D165-N169 PolarHBondContact O-N 3.36Å; D165-N169 PolarHBondContact O-ND2 3Å; D165-K234 IonicContact OD1-NZ 2.59Å; D165-K234 PolarHBondContact OD1-NZ 3.35Å; D165-K234 IonicContact OD2-NZ 2.59Å; D165-K234 PolarHBondContact OD2-NZ 2.93Å
166F86.6Confident83.7Confident1 Ų146.7 Ų46.70%0.00425%0.254CS..Hα-helixtrans-67.9-40-179.5-169.3-107.9000112.2I142 F161 T162 W163 S164 E168 N169 A170 L180 V184 L206 F208I142-F166 HydrophobicContact CB-CZ 4.44Å; I142-F166 HydrophobicContact CG2-CE1 3.67Å; I142-F166 HydrophobicContact CG2-CZ 3.4Å; I142-F166 VanDerWaalsContact CG2-CZ 3.4Å; F161-F166 HydrophobicContact CB-CB 4.19Å; F161-F166 HydrophobicContact CB-CD2 4.28Å; F161-F166 HydrophobicContact CD1-CD2 4.4Å; F161-F166 HydrophobicContact CG-CD2 4.15Å; T162-F166 WeakPolarHBondContact O-CB 3.28Å; T162-F166 PolarHBondContact O-N 3.21Å; W163-F166 PolarHBondContact O-N 3.48Å; S164-F166 VanDerWaalsContact C-N 3.33Å; S164-F166 PolarHBondContact O-N 3.25Å; F166-E168 PolarHBondContact O-N 3.43Å; F166-N169 PolarHBondContact O-N 3.18Å; F166-A170 HydrophobicContact CE1-CB 4.33Å; F166-A170 VanDerWaalsContact O-CB 3.25Å; F166-A170 WeakPolarHBondContact O-CB 3.17Å; F166-A170 PolarHBondContact O-N 3Å; F166-L180 HydrophobicContact CD1-CD1 4.45Å; F166-L180 HydrophobicContact CE1-CD1 4.1Å; F166-V184 HydrophobicContact CE1-CG2 4.25Å; F166-L206 HydrophobicContact CB-CD1 3.98Å; F166-L206 HydrophobicContact CD1-CD1 3.58Å; F166-L206 HydrophobicContact CE1-CD1 4.21Å; F166-L206 HydrophobicContact CG-CD1 3.76Å; F166-F208 HydrophobicContact CD2-CE2 4.05Å; F166-F208 HydrophobicContact CD2-CZ 4.19Å; F166-F208 HydrophobicContact CE1-CZ 4.01Å; F166-F208 AromaticContact CE2-CE2 3.67Å; F166-F208 HydrophobicContact CE2-CE2 3.67Å; F166-F208 AromaticContact CE2-CZ 3.51Å; F166-F208 HydrophobicContact CE2-CZ 3.51Å; F166-F208 HydrophobicContact CZ-CE1 4.27Å; F166-F208 HydrophobicContact CZ-CE2 4.06Å; F166-F208 AromaticContact CZ-CZ 3.4Å; F166-F208 HydrophobicContact CZ-CZ 3.4Å; F166-F208 VanDerWaalsContact CZ-CZ 3.4Å
167R88.6Confident85.2Confident133 Ų13348.2 Ų48.250%0.50226%0.26SS..Hα-helixtrans-59.6-45.1177.9-179-171.1-173.2-155.31.3111.8W163 S164 N169 A170 A171 E177 L180W163-R167 WeakPolarHBondContact O-CB 3.25Å; W163-R167 PolarHBondContact O-N 2.79Å; S164-R167 PolarHBondContact O-N 3.39Å; R167-N169 VanDerWaalsContact C-N 3.35Å; R167-A170 PolarHBondContact O-N 2.98Å; R167-A171 PolarHBondContact O-N 2.96Å; R167-E177 WeakPolarHBondContact CD-OE2 3.21Å; R167-E177 IonicContact CZ-OE2 2.66Å; R167-E177 VanDerWaalsContact CZ-OE2 3.3Å; R167-E177 IonicContact NE-OE1 2.89Å; R167-E177 IonicContact NE-OE2 3.56Å; R167-E177 PolarHBondContact NE-OE2 3.5Å; R167-E177 IonicContact NH2-OE2 3.47Å; R167-E177 PolarHBondContact NH2-OE2 3Å; R167-L180 HydrophobicContact CB-CD2 4.11Å; R167-L180 HydrophobicContact CG-CD2 4.04Å
168E85.9Confident86.6Confident149 Ų14948.1 Ų48.170%0.69626%0.255SS*.Hα-helixtrans-61.7-44.1177.4-69-176.5174.600111.4S164 F166 A170 A171S164-E168 PolarHBondContact O-N 2.66Å; F166-E168 PolarHBondContact O-N 3.43Å; E168-A170 VanDerWaalsContact C-N 3.33Å; E168-A170 PolarHBondContact O-N 3.34Å; E168-A171 WeakPolarHBondContact O-CB 2.89Å; E168-A171 PolarHBondContact O-N 2.89Å
169N84.4Confident87.9Confident65 Ų6541.4 Ų41.435%0.34822%0.223SC..Hα-helixtrans-68.7-30.4177.1-70.1-51.8000113.2D165 F166 R167D165-N169 PolarHBondContact O-N 3.36Å; D165-N169 PolarHBondContact O-ND2 3Å; F166-N169 PolarHBondContact O-N 3.18Å; R167-N169 VanDerWaalsContact C-N 3.35Å
170A89.8Confident88.4Confident0 Ų040.7 Ų40.70%022%0.219CC..Hα-helixtrans-87.1-7.6-179.700000114L145 F166 R167 E168 D172 I173 C174 L180L145-A170 HydrophobicContact CD1-CB 4.13Å; F166-A170 HydrophobicContact CE1-CB 4.33Å; F166-A170 VanDerWaalsContact O-CB 3.25Å; F166-A170 WeakPolarHBondContact O-CB 3.17Å; F166-A170 PolarHBondContact O-N 3Å; R167-A170 PolarHBondContact O-N 2.98Å; E168-A170 VanDerWaalsContact C-N 3.33Å; E168-A170 PolarHBondContact O-N 3.34Å; A170-D172 PolarHBondContact O-N 3.35Å; A170-D172 VanDerWaalsContact O-N 3.08Å; A170-I173 PolarHBondContact O-N 3.46Å; A170-C174 PolarHBondContact O-N 3.27Å; A170-L180 HydrophobicContact CB-CD1 3.77Å; A170-L180 HydrophobicContact CB-CD2 4.39Å
171A88.8Confident88.6Confident52 Ų5240.7 Ų40.743%0.4322%0.219SC..THydrogen-bonded Turntrans-57.2-26.9-179.200000112.8R167 E168 I173 C174R167-A171 PolarHBondContact O-N 2.96Å; E168-A171 WeakPolarHBondContact O-CB 2.89Å; E168-A171 PolarHBondContact O-N 2.89Å; A171-I173 VanDerWaalsContact C-N 3.31Å; A171-I173 PolarHBondContact O-N 3.34Å; A171-C174 WeakPolarHBondContact CA-O 3.25Å
172D88.8Confident88.9Confident129 Ų12940.5 Ų40.569%0.6922%0.219SC*.THydrogen-bonded Turntrans-75.9-16.8176.2-92-31.6000114.7K47 A170K47-D172 VanDerWaalsContact CD-O 3.23Å; K47-D172 WeakPolarHBondContact CD-O 3.32Å; K47-D172 WeakPolarHBondContact CE-O 3.36Å; K47-D172 VanDerWaalsContact NZ-CA 3.33Å; K47-D172 PolarHBondContact NZ-O 3.27Å; K47-D172 IonicContact NZ-OD1 2.96Å; K47-D172 PolarHBondContact NZ-OD1 3.48Å; A170-D172 PolarHBondContact O-N 3.35Å; A170-D172 VanDerWaalsContact O-N 3.08Å
173I91.1Very high89.1Confident22 Ų2240.2 Ų40.211%0.11322%0.217CC..THydrogen-bonded Turntrans-101.8-46178.9-55.8172.7000110.4K47 F138 K141 I142 L145 A170 A171K47-I173 WeakPolarHBondContact CB-O 3.49Å; F138-I173 HydrophobicContact CB-CG2 4.22Å; F138-I173 HydrophobicContact CD1-CG2 3.92Å; F138-I173 HydrophobicContact CG-CG2 4.22Å; K141-I173 HydrophobicContact CB-CD1 3.81Å; K141-I173 HydrophobicContact CB-CG1 4.41Å; K141-I173 HydrophobicContact CB-CG2 3.98Å; K141-I173 HydrophobicContact CD-CG2 4.18Å; I142-I173 HydrophobicContact CG1-CD1 4.08Å; I142-I173 HydrophobicContact CG1-CG2 4.24Å; L145-I173 HydrophobicContact CD1-CD1 3.41Å; L145-I173 VanDerWaalsContact CD1-CD1 3.41Å; L145-I173 HydrophobicContact CD1-CG1 4.44Å; L145-I173 HydrophobicContact CD2-CD1 4.09Å; L145-I173 HydrophobicContact CG-CD1 3.59Å; A170-I173 PolarHBondContact O-N 3.46Å; A171-I173 VanDerWaalsContact C-N 3.31Å; A171-I173 PolarHBondContact O-N 3.34Å
174C91Very high89.3Confident6 Ų639.4 Ų39.44%0.04121%0.214CC..  trans-124.4119.4-178.3-59.50000109K47 A170 A171 T179 L180K47-C174 CarbonylContact O-C 3.55Å; K47-C174 WeakPolarHBondContact O-CA 3.01Å; A170-C174 PolarHBondContact O-N 3.27Å; A171-C174 WeakPolarHBondContact CA-O 3.25Å; C174-T179 HydrophobicContact CB-CG2 4.15Å; C174-L180 HydrophobicContact CB-CB 4.22Å
175S87.5Confident89.5Confident76 Ų7638.1 Ų38.153%0.53120%0.2SC..SBendtrans-82.2-25177.5590000112.5R46 K47R46-S175 PolarHBondContact O-OG 3.41Å; K47-S175 PolarHBondContact O-N 2.67Å; K47-S175 PolarHBondContact O-OG 3.46Å
176D87.5Confident90Very high33 Ų3337.7 Ų37.718%0.17620%0.197CC..SBendtrans-110144.4-177.977-83.3000113.1C48 T178 T179 L180C48-D176 VanDerWaalsContact CA-OD1 3.3Å; C48-D176 WeakPolarHBondContact CA-OD1 3.33Å; C48-D176 WeakPolarHBondContact CB-OD1 2.94Å; C48-D176 PolarHBondContact SG-OD1 2.95Å; D176-T178 VanDerWaalsContact C-N 3.32Å; D176-T178 PolarHBondContact O-N 3.42Å; D176-T178 PolarHBondContact OD2-N 2.77Å; D176-T179 VanDerWaalsContact CG-CB 3.45Å; D176-T179 WeakPolarHBondContact OD1-CB 3.06Å; D176-T179 PolarHBondContact OD1-OG1 3.47Å; D176-T179 VanDerWaalsContact OD2-CB 3.25Å; D176-T179 WeakPolarHBondContact OD2-CB 3.3Å; D176-T179 PolarHBondContact OD2-N 2.94Å; D176-T179 PolarHBondContact OD2-OG1 2.74Å; D176-L180 PolarHBondContact O-N 3.39Å
177E89Confident90.3Very high41 Ų4137.6 Ų37.619%0.19220%0.197CC..Hα-helixtrans-63.8-38.2-176.4-16568.3-177.900112.2W163 R167 L180 V181W163-E177 PolarHBondContact NE1-OE1 2.9Å; R167-E177 WeakPolarHBondContact CD-OE2 3.21Å; R167-E177 IonicContact CZ-OE2 2.66Å; R167-E177 VanDerWaalsContact CZ-OE2 3.3Å; R167-E177 IonicContact NE-OE1 2.89Å; R167-E177 IonicContact NE-OE2 3.56Å; R167-E177 PolarHBondContact NE-OE2 3.5Å; R167-E177 IonicContact NH2-OE2 3.47Å; R167-E177 PolarHBondContact NH2-OE2 3Å; E177-L180 PolarHBondContact O-N 2.99Å; E177-V181 WeakPolarHBondContact O-CG2 3.3Å; E177-V181 PolarHBondContact O-N 3.46Å
178T90.3Very high90.4Very high26 Ų2633.6 Ų33.616%0.1618%0.183CC..Hα-helixtrans-67.3-44.4-175.8-550000111L50 I86 L113 D176 L180 V181 L182L50-T178 HydrophobicContact CD1-CG2 3.66Å; I86-T178 HydrophobicContact CD1-CG2 4.09Å; L113-T178 HydrophobicContact CD2-CG2 3.86Å; D176-T178 VanDerWaalsContact C-N 3.32Å; D176-T178 PolarHBondContact O-N 3.42Å; D176-T178 PolarHBondContact OD2-N 2.77Å; T178-L180 VanDerWaalsContact C-N 3.32Å; T178-L180 PolarHBondContact O-N 3.19Å; T178-V181 PolarHBondContact O-N 2.82Å; T178-L182 HydrophobicContact CG2-CD1 4.3Å; T178-L182 HydrophobicContact CG2-CG 4.46Å; T178-L182 WeakPolarHBondContact O-CB 3.32Å; T178-L182 VanDerWaalsContact O-CG 3.25Å; T178-L182 WeakPolarHBondContact O-CG 3.43Å; T178-L182 PolarHBondContact O-N 2.9Å
179T93.5Very high90.5Very high0 Ų032.7 Ų32.70%018%0.175CC..Hα-helixtrans-58.7-43.9173.3-67.60000110.9A49 I135 F138 C174 D176 L182 A183A49-T179 HydrophobicContact CB-CG2 3.83Å; A49-T179 PolarHBondContact N-OG1 2.85Å; A49-T179 VanDerWaalsContact N-OG1 3.11Å; I135-T179 HydrophobicContact CD1-CG2 3.93Å; F138-T179 HydrophobicContact CD2-CG2 3.45Å; F138-T179 VanDerWaalsContact CD2-CG2 3.45Å; F138-T179 HydrophobicContact CE2-CG2 3.79Å; C174-T179 HydrophobicContact CB-CG2 4.15Å; D176-T179 VanDerWaalsContact CG-CB 3.45Å; D176-T179 WeakPolarHBondContact OD1-CB 3.06Å; D176-T179 PolarHBondContact OD1-OG1 3.47Å; D176-T179 VanDerWaalsContact OD2-CB 3.25Å; D176-T179 WeakPolarHBondContact OD2-CB 3.3Å; D176-T179 PolarHBondContact OD2-N 2.94Å; D176-T179 PolarHBondContact OD2-OG1 2.74Å; T179-L182 PolarHBondContact O-N 3.34Å; T179-A183 WeakPolarHBondContact O-CB 3.25Å; T179-A183 PolarHBondContact O-N 3.49Å
180L93Very high90.8Very high4 Ų433 Ų332%0.02118%0.176CC..Hα-helixtrans-61.2-47.6176.9-18060000111.5I142 W163 F166 R167 A170 C174 D176 E177 T178 L182 A183 V184I142-L180 HydrophobicContact CD1-CD1 3.68Å; I142-L180 HydrophobicContact CG1-CD1 4.45Å; W163-L180 HydrophobicContact CH2-CD2 4.21Å; W163-L180 HydrophobicContact CH2-CG 3.87Å; W163-L180 HydrophobicContact CZ2-CD2 3.87Å; W163-L180 HydrophobicContact CZ2-CG 3.96Å; F166-L180 HydrophobicContact CD1-CD1 4.45Å; F166-L180 HydrophobicContact CE1-CD1 4.1Å; R167-L180 HydrophobicContact CB-CD2 4.11Å; R167-L180 HydrophobicContact CG-CD2 4.04Å; A170-L180 HydrophobicContact CB-CD1 3.77Å; A170-L180 HydrophobicContact CB-CD2 4.39Å; C174-L180 HydrophobicContact CB-CB 4.22Å; D176-L180 PolarHBondContact O-N 3.39Å; E177-L180 PolarHBondContact O-N 2.99Å; T178-L180 VanDerWaalsContact C-N 3.32Å; T178-L180 PolarHBondContact O-N 3.19Å; L180-L182 VanDerWaalsContact C-N 3.35Å; L180-L182 PolarHBondContact O-N 3.22Å; L180-A183 PolarHBondContact O-N 3.25Å; L180-V184 HydrophobicContact CD1-CG2 4.4Å; L180-V184 WeakPolarHBondContact O-CG2 3.46Å; L180-V184 PolarHBondContact O-N 3.26Å
181V91.7Very high90.8Very high1 Ų133.5 Ų33.51%0.00618%0.181CC..Hα-helixtrans-59-45.4176170.10000111.4L109 L112 L113 W163 E177 T178 A183 V184 K185L109-V181 HydrophobicContact CD2-CG1 4.34Å; L112-V181 HydrophobicContact CD1-CG2 4.49Å; L113-V181 HydrophobicContact CD1-CG1 4.07Å; L113-V181 HydrophobicContact CD2-CB 4.27Å; L113-V181 HydrophobicContact CD2-CG1 3.97Å; L113-V181 HydrophobicContact CG-CG1 3.93Å; W163-V181 HydrophobicContact CH2-CB 4.43Å; W163-V181 HydrophobicContact CH2-CG2 3.72Å; W163-V181 HydrophobicContact CZ2-CG2 3.58Å; E177-V181 WeakPolarHBondContact O-CG2 3.3Å; E177-V181 PolarHBondContact O-N 3.46Å; T178-V181 PolarHBondContact O-N 2.82Å; V181-A183 PolarHBondContact O-N 2.91Å; V181-V184 PolarHBondContact O-N 3.45Å; V181-K185 HydrophobicContact CG1-CD 4.37Å; V181-K185 HydrophobicContact CG1-CG 4.48Å; V181-K185 WeakPolarHBondContact O-CB 3.18Å; V181-K185 WeakPolarHBondContact O-CG 3.48Å; V181-K185 PolarHBondContact O-N 3.36Å
182L92.4Very high90.9Very high0 Ų032.7 Ų32.70%017%0.169CC..Hα-helixtrans-65.1-38.1179-71.4-176.9000112.4L50 F89 V130 I135 T178 T179 L180 K185 H186L50-L182 HydrophobicContact CD2-CD1 4.18Å; F89-L182 HydrophobicContact CD1-CD1 4.32Å; F89-L182 HydrophobicContact CD1-CD2 3.83Å; F89-L182 HydrophobicContact CD1-CG 4.45Å; F89-L182 HydrophobicContact CE1-CB 3.99Å; F89-L182 HydrophobicContact CE1-CD1 4.45Å; F89-L182 HydrophobicContact CE1-CD2 4.03Å; F89-L182 HydrophobicContact CE1-CG 4.37Å; V130-L182 HydrophobicContact CG1-CD1 4Å; V130-L182 HydrophobicContact CG2-CD1 3.65Å; I135-L182 HydrophobicContact CD1-CB 3.85Å; I135-L182 HydrophobicContact CD1-CD1 4.43Å; T178-L182 HydrophobicContact CG2-CD1 4.3Å; T178-L182 HydrophobicContact CG2-CG 4.46Å; T178-L182 WeakPolarHBondContact O-CB 3.32Å; T178-L182 VanDerWaalsContact O-CG 3.25Å; T178-L182 WeakPolarHBondContact O-CG 3.43Å; T178-L182 PolarHBondContact O-N 2.9Å; T179-L182 PolarHBondContact O-N 3.34Å; L180-L182 VanDerWaalsContact C-N 3.35Å; L180-L182 PolarHBondContact O-N 3.22Å; L182-K185 PolarHBondContact O-N 3.45Å; L182-H186 PolarHBondContact O-N 3.49Å
183A93.6Very high91.1Very high0 Ų026.8 Ų26.80%014%0.138CC..Hα-helixtrans-65.5-43.4174.200000111.8I135 A139 I142 T179 L180 V181 H186 L187I135-A183 HydrophobicContact CG2-CB 4.49Å; A139-A183 HydrophobicContact CB-CB 4.18Å; I142-A183 HydrophobicContact CD1-CB 3.52Å; T179-A183 WeakPolarHBondContact O-CB 3.25Å; T179-A183 PolarHBondContact O-N 3.49Å; L180-A183 PolarHBondContact O-N 3.25Å; V181-A183 PolarHBondContact O-N 2.91Å; A183-H186 WeakPolarHBondContact O-CB 3.35Å; A183-H186 PolarHBondContact O-N 3.24Å; A183-H186 VanDerWaalsContact O-N 3.17Å; A183-L187 WeakPolarHBondContact O-CG 3.46Å; A183-L187 PolarHBondContact O-N 3.01Å
184V92.6Very high91.1Very high0 Ų026.5 Ų26.50%014%0.139CC..Hα-helixtrans-65.9-38.4175.51740000111.5L109 W163 F166 L180 V181 H186 L187 K188 V193 T195 L206L109-V184 HydrophobicContact CD1-CG1 4.35Å; W163-V184 HydrophobicContact CH2-CB 4.41Å; W163-V184 HydrophobicContact CH2-CG2 4.09Å; W163-V184 HydrophobicContact CZ3-CB 4.12Å; W163-V184 HydrophobicContact CZ3-CG1 4.14Å; W163-V184 HydrophobicContact CZ3-CG2 3.83Å; F166-V184 HydrophobicContact CE1-CG2 4.25Å; L180-V184 HydrophobicContact CD1-CG2 4.4Å; L180-V184 WeakPolarHBondContact O-CG2 3.46Å; L180-V184 PolarHBondContact O-N 3.26Å; V181-V184 PolarHBondContact O-N 3.45Å; V184-H186 VanDerWaalsContact C-N 3.31Å; V184-H186 PolarHBondContact O-N 3.2Å; V184-L187 PolarHBondContact O-N 2.83Å; V184-K188 WeakPolarHBondContact O-CB 3.28Å; V184-K188 PolarHBondContact O-N 2.82Å; V184-V193 HydrophobicContact CG1-CG1 4.16Å; V184-T195 HydrophobicContact CG1-CG2 4.45Å; V184-L206 HydrophobicContact CG1-CD2 4.08Å
185K90.7Very high91.1Very high31 Ų3127.3 Ų27.314%0.13514%0.143CC..Hα-helixtrans-60-41.4171.2-75.4-174.8-176.9-167.60111.7E90 M93 L109 L113 V181 L182 K188 Y189E90-K185 IonicContact OE1-NZ 3.55Å; E90-K185 PolarHBondContact OE1-NZ 3.44Å; M93-K185 HydrophobicContact SD-CB 3.84Å; L109-K185 HydrophobicContact CD1-CG 3.96Å; L113-K185 VanDerWaalsContact CD1-NZ 3.33Å; V181-K185 HydrophobicContact CG1-CD 4.37Å; V181-K185 HydrophobicContact CG1-CG 4.48Å; V181-K185 WeakPolarHBondContact O-CB 3.18Å; V181-K185 WeakPolarHBondContact O-CG 3.48Å; V181-K185 PolarHBondContact O-N 3.36Å; L182-K185 PolarHBondContact O-N 3.45Å; K185-K188 PolarHBondContact O-N 3.47Å; K185-Y189 PolarHBondContact O-N 3.47Å
186H92.7Very high91.2Very high22 Ų2227.8 Ų27.810%0.10213%0.134CC..Hα-helixtrans-60.7-45174.9-172.662000112.2M93 I135 A139 L182 A183 V184 K188 Y189 N190M93-H186 VanDerWaalsContact CE-CA 3.5Å; M93-H186 HydrophobicContact CE-CB 3.58Å; I135-H186 HydrophobicContact CG2-CB 4.17Å; A139-H186 HydrophobicContact CB-CB 4.33Å; L182-H186 PolarHBondContact O-N 3.49Å; A183-H186 WeakPolarHBondContact O-CB 3.35Å; A183-H186 PolarHBondContact O-N 3.24Å; A183-H186 VanDerWaalsContact O-N 3.17Å; V184-H186 VanDerWaalsContact C-N 3.31Å; V184-H186 PolarHBondContact O-N 3.2Å; H186-K188 VanDerWaalsContact C-N 3.31Å; H186-K188 PolarHBondContact O-N 2.88Å; H186-Y189 PolarHBondContact O-N 3.27Å; H186-N190 PolarHBondContact CD2-ND2 2.95Å; H186-N190 PolarHBondContact CE1-ND2 2.96Å; H186-N190 PolarHBondContact NE2-ND2 3.07Å; H186-N190 PolarHBondContact O-N 3.42Å; H186-N190 VanDerWaalsContact O-N 3.08Å; H186-N190 PolarHBondContact O-ND2 3.15Å
187L92.9Very high91.2Very high0 Ų029.4 Ų29.40%014%0.14CC..Hα-helixtrans-62-39174.8-67.9176.5000112.2A139 I142 Y143 A183 V184 N190 G191 L192 V193 F208A139-L187 HydrophobicContact CB-CD2 3.92Å; A139-L187 HydrophobicContact CB-CG 3.92Å; I142-L187 HydrophobicContact CB-CD1 4.43Å; I142-L187 HydrophobicContact CG2-CD1 3.62Å; Y143-L187 HydrophobicContact CG-CD2 4.46Å; A183-L187 WeakPolarHBondContact O-CG 3.46Å; A183-L187 PolarHBondContact O-N 3.01Å; V184-L187 PolarHBondContact O-N 2.83Å; L187-N190 CarbonylContact O-C 3.59Å; L187-N190 PolarHBondContact O-N 3.32Å; L187-G191 PolarHBondContact O-N 3.44Å; L187-L192 HydrophobicContact CB-CB 4.32Å; L187-L192 HydrophobicContact CD2-CB 4.22Å; L187-L192 HydrophobicContact CD2-CD1 3.71Å; L187-L192 WeakPolarHBondContact O-CB 3.23Å; L187-L192 PolarHBondContact O-N 3.26Å; L187-V193 HydrophobicContact CB-CB 4.31Å; L187-V193 HydrophobicContact CB-CG1 3.62Å; L187-F208 HydrophobicContact CD1-CE1 3.94Å
188K90.9Very high90.6Very high49 Ų4927.7 Ų27.721%0.21313%0.132CC..Hα-helixtrans-65.3-44.9179-174.9175.1-177.6174.70110.7F106 V184 K185 H186 N190 G191 V193 T195F106-K188 HydrophobicContact CE1-CD 4.46Å; V184-K188 WeakPolarHBondContact O-CB 3.28Å; V184-K188 PolarHBondContact O-N 2.82Å; K185-K188 PolarHBondContact O-N 3.47Å; H186-K188 VanDerWaalsContact C-N 3.31Å; H186-K188 PolarHBondContact O-N 2.88Å; K188-N190 VanDerWaalsContact C-N 3.28Å; K188-N190 PolarHBondContact O-N 3.27Å; K188-G191 PolarHBondContact O-N 3.07Å; K188-V193 HydrophobicContact CB-CG1 3.89Å; K188-T195 HydrophobicContact CD-CG2 4.18Å; K188-T195 PolarHBondContact NZ-OG1 3.3Å
189Y89Confident89.9Confident130 Ų13033.1 Ų33.151%0.5116%0.16SC..Hα-helixtrans-57.9-40.4174.6175.2-105.6000112.3M93 K185 H186 G191M93-Y189 HydrophobicContact CB-CD2 4.16Å; M93-Y189 HydrophobicContact CB-CG 4.2Å; M93-Y189 WeakPolarHBondContact O-CD2 3.37Å; M93-Y189 WeakPolarHBondContact O-CE2 3.21Å; K185-Y189 PolarHBondContact O-N 3.47Å; H186-Y189 PolarHBondContact O-N 3.27Å; Y189-G191 PolarHBondContact O-N 3.46Å
190N90.3Very high88.8Confident72 Ų7239.1 Ų39.139%0.38519%0.192SC..THydrogen-bonded Turntrans-77.41.7176.4-64.6-27.5000113.8H186 L187 K188 L192H186-N190 PolarHBondContact CD2-ND2 2.95Å; H186-N190 PolarHBondContact CE1-ND2 2.96Å; H186-N190 PolarHBondContact NE2-ND2 3.07Å; H186-N190 PolarHBondContact O-N 3.42Å; H186-N190 VanDerWaalsContact O-N 3.08Å; H186-N190 PolarHBondContact O-ND2 3.15Å; L187-N190 CarbonylContact O-C 3.59Å; L187-N190 PolarHBondContact O-N 3.32Å; K188-N190 VanDerWaalsContact C-N 3.28Å; K188-N190 PolarHBondContact O-N 3.27Å; N190-L192 VanDerWaalsContact C-N 3.32Å; N190-L192 HydrophobicContact CB-CD1 4.17Å; N190-L192 HydrophobicContact CB-CG 4.14Å; N190-L192 PolarHBondContact O-N 3.44Å
191G89.7Confident87.7Confident9 Ų943.3 Ų43.39%0.09322%0.215CC..THydrogen-bonded Turntrans69.127.7179.800000114.2L187 K188 Y189 R209 P217L187-G191 PolarHBondContact O-N 3.44Å; K188-G191 PolarHBondContact O-N 3.07Å; Y189-G191 PolarHBondContact O-N 3.46Å; G191-R209 WeakPolarHBondContact O-CD 3.24Å; G191-P217 WeakPolarHBondContact O-CD 3.31Å
192L91.7Very high87Confident36 Ų3645.3 Ų45.319%0.18824%0.235CC..SBendtrans-99.9-15.3-179.1-63.6177.4000113.4Y143 L187 N190 F208 R209Y143-L192 HydrophobicContact CD2-CB 4.15Å; Y143-L192 HydrophobicContact CD2-CD1 4.43Å; Y143-L192 HydrophobicContact CE2-CB 3.96Å; Y143-L192 HydrophobicContact CE2-CD2 4.15Å; Y143-L192 HydrophobicContact CE2-CG 4.43Å; L187-L192 HydrophobicContact CB-CB 4.32Å; L187-L192 HydrophobicContact CD2-CB 4.22Å; L187-L192 HydrophobicContact CD2-CD1 3.71Å; L187-L192 WeakPolarHBondContact O-CB 3.23Å; L187-L192 PolarHBondContact O-N 3.26Å; N190-L192 VanDerWaalsContact C-N 3.32Å; N190-L192 HydrophobicContact CB-CD1 4.17Å; N190-L192 HydrophobicContact CB-CG 4.14Å; N190-L192 PolarHBondContact O-N 3.44Å; L192-F208 CarbonylContact O-C 3.58Å; L192-F208 WeakPolarHBondContact O-CA 3.49Å; L192-R209 PolarHBondContact O-N 2.97Å
193V91.9Very high86.6Confident4 Ų446.5 Ų46.52%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-143.2142.1177.7700000111.3V184 L187 K188 L206 K207 F208V184-V193 HydrophobicContact CG1-CG1 4.16Å; L187-V193 HydrophobicContact CB-CB 4.31Å; L187-V193 HydrophobicContact CB-CG1 3.62Å; K188-V193 HydrophobicContact CB-CG1 3.89Å; V193-L206 HydrophobicContact CG2-CB 4.22Å; V193-L206 HydrophobicContact CG2-CD2 4.46Å; V193-K207 CarbonylContact C-O 3.58Å; V193-K207 VanDerWaalsContact CA-O 3.3Å; V193-K207 WeakPolarHBondContact CA-O 3.4Å; V193-F208 HydrophobicContact CB-CD1 4.06Å; V193-F208 HydrophobicContact CB-CE1 4.16Å; V193-F208 HydrophobicContact CG2-CD1 3.97Å; V193-F208 HydrophobicContact CG2-CE1 3.91Å; V193-F208 HydrophobicContact CG2-CE2 4.48Å; V193-F208 HydrophobicContact CG2-CG 4.31Å; V193-F208 HydrophobicContact CG2-CZ 4.17Å
194A91.6Very high86.4Confident17 Ų1746.8 Ų46.814%0.1424%0.243CC..EExtended strand (participates in β ladder)trans-106.9150.2166.500000110L206 K207 P217 I219A194-L206 WeakPolarHBondContact O-CA 3.48Å; A194-K207 PolarHBondContact N-O 3.09Å; A194-K207 PolarHBondContact O-N 2.82Å; A194-P217 HydrophobicContact CB-CB 4.12Å; A194-P217 HydrophobicContact CB-CG 4.06Å; A194-P217 WeakPolarHBondContact CB-O 3.13Å; A194-I219 HydrophobicContact CB-CD1 4.12Å; A194-I219 HydrophobicContact CB-CG1 3.97Å
195T91.2Very high86.3Confident22 Ų2247 Ų4714%0.13524%0.244CC..EExtended strand (participates in β ladder)trans-129.4133.3-176.4630000109.4L109 V184 K188 I205 L206L109-T195 HydrophobicContact CD1-CG2 4.02Å; V184-T195 HydrophobicContact CG1-CG2 4.45Å; K188-T195 HydrophobicContact CD-CG2 4.18Å; K188-T195 PolarHBondContact NZ-OG1 3.3Å; T195-I205 CarbonylContact C-O 3.59Å; T195-I205 VanDerWaalsContact CA-O 3.29Å; T195-I205 WeakPolarHBondContact CA-O 3.37Å; T195-L206 HydrophobicContact CG2-CD2 3.77Å
196Y88.7Confident86.3Confident86 Ų8645.5 Ų45.534%0.33724%0.238SC..EExtended strand (participates in β ladder)trans-135.9130.2174.4172.7-99.2000108.5D198 T204 I205 I219 I224Y196-D198 HydrophobicContact CE1-CB 4.4Å; Y196-T204 CarbonylContact O-C 3.54Å; Y196-T204 WeakPolarHBondContact O-CA 3.47Å; Y196-I205 HydrophobicContact CD1-CD1 4.06Å; Y196-I205 HydrophobicContact CD1-CG1 4.49Å; Y196-I205 PolarHBondContact N-O 2.95Å; Y196-I205 PolarHBondContact O-N 3.49Å; Y196-I219 VanDerWaalsContact CB-CD1 3.42Å; Y196-I219 HydrophobicContact CG-CG2 4.39Å; Y196-I224 HydrophobicContact CD1-CD1 4.04Å; Y196-I224 HydrophobicContact CD1-CG1 4.15Å; Y196-I224 HydrophobicContact CE1-CD1 3.64Å; Y196-I224 HydrophobicContact CE1-CG1 4.05Å; Y196-I224 HydrophobicContact CE2-CD1 4.49Å
197K87Confident86.2Confident68 Ų6845.5 Ų45.530%0.29624%0.238SC..EExtended strand (participates in β ladder)trans-95.7123.7175.2-178.3175.4-178.61790107.8P108 D199P108-K197 HydrophobicContact CB-CB 3.57Å; P108-K197 HydrophobicContact CB-CD 3.86Å; P108-K197 HydrophobicContact CB-CG 4.31Å; P108-K197 HydrophobicContact CG-CB 4.41Å; K197-D199 PolarHBondContact O-N 2.75Å
198D78Confident86.1Confident4 Ų445.5 Ų45.52%0.02124%0.238CC..  trans-75.1122.1174-164.4-14.6000108Y196 D200 D201 G202 D203 K228Y196-D198 HydrophobicContact CE1-CB 4.4Å; D198-D200 PolarHBondContact O-N 3.14Å; D198-D200 PolarHBondContact OD1-N 3.06Å; D198-D201 HydrophobicContact CB-CB 4.45Å; D198-G202 VanDerWaalsContact O-CA 3.25Å; D198-G202 WeakPolarHBondContact O-CA 3.08Å; D198-G202 PolarHBondContact O-N 3.34Å; D198-D203 PolarHBondContact N-O 2.8Å; D198-K228 WeakPolarHBondContact OD2-CE 3.36Å; D198-K228 IonicContact OD2-NZ 3.87Å
199D75.4Confident86Confident141 Ų14145.7 Ų45.775%0.75424%0.237SC*.THydrogen-bonded Turntrans-69.3-26.8-179-70.6-35.1000111.4K197K197-D199 PolarHBondContact O-N 2.75Å
200D70.5Confident85.9Confident125 Ų12540.5 Ų40.567%0.66822%0.218SC*.THydrogen-bonded Turntrans-77.1-48.5-176.8-60.4-33.7000111.4D198 K228D198-D200 PolarHBondContact O-N 3.14Å; D198-D200 PolarHBondContact OD1-N 3.06Å; D200-K228 IonicContact OD2-NZ 2.61Å; D200-K228 PolarHBondContact OD2-NZ 3.05Å
201D69.5Low85.5Confident93 Ų9341.6 Ų41.650%0.49723%0.229SC..THydrogen-bonded Turntrans-94.5-18.6-175.3-81.5-21.5000113.4D198 D203 K231D198-D201 HydrophobicContact CB-CB 4.45Å; D201-D203 HydrophobicContact CB-CB 4.41Å; D201-D203 PolarHBondContact O-N 3.02Å; D201-D203 VanDerWaalsContact O-N 3.14Å; D201-K231 IonicContact OD2-NZ 2.71Å; D201-K231 PolarHBondContact OD2-NZ 3.08Å
202G77.5Confident85Confident43 Ų4348 Ų4844%0.44326%0.256SS..  trans71.4-5.5-172.100000115.1D198D198-G202 VanDerWaalsContact O-CA 3.25Å; D198-G202 WeakPolarHBondContact O-CA 3.08Å; D198-G202 PolarHBondContact O-N 3.34Å
203D84.1Confident84.6Confident25 Ų2548.8 Ų48.813%0.13426%0.258CS..PPolyproline II helixtrans-76.7152.3178.3-157.3-9.4000111.3T162 W163 S164 D198 D201 K231T162-D203 WeakPolarHBondContact CB-OD2 3.33Å; W163-D203 WeakPolarHBondContact CB-OD1 3.16Å; W163-D203 PolarHBondContact N-OD1 3.38Å; S164-D203 PolarHBondContact OG-OD1 2.65Å; S164-D203 PolarHBondContact OG-OD2 3.14Å; D198-D203 PolarHBondContact N-O 2.8Å; D201-D203 HydrophobicContact CB-CB 4.41Å; D201-D203 PolarHBondContact O-N 3.02Å; D201-D203 VanDerWaalsContact O-N 3.14Å; D203-K231 IonicContact OD2-NZ 2.64Å
204T89Confident84.1Confident6 Ų658 Ų584%0.03730%0.298CS..EExtended strand (participates in β ladder)trans-103.9120.8179.6-600000110.5T162 W163 Y196 L206T162-T204 CarbonylContact C-O 3.51Å; W163-T204 WeakPolarHBondContact CB-O 3.44Å; W163-T204 PolarHBondContact N-O 3.32Å; Y196-T204 CarbonylContact O-C 3.54Å; Y196-T204 WeakPolarHBondContact O-CA 3.47Å; T204-L206 HydrophobicContact CG2-CD2 4.27Å
205I90.1Very high83.8Confident3 Ų362 Ų622%0.01532%0.321CS..EExtended strand (participates in β ladder)trans-79.6132.3171.6-56.8179.4000109.3V160 F161 T195 Y196 I219 I224 V227V160-I205 HydrophobicContact CG1-CG2 3.61Å; F161-I205 CarbonylContact O-C 3.56Å; F161-I205 WeakPolarHBondContact O-CA 3.36Å; T195-I205 CarbonylContact C-O 3.59Å; T195-I205 VanDerWaalsContact CA-O 3.29Å; T195-I205 WeakPolarHBondContact CA-O 3.37Å; Y196-I205 HydrophobicContact CD1-CD1 4.06Å; Y196-I205 HydrophobicContact CD1-CG1 4.49Å; Y196-I205 PolarHBondContact N-O 2.95Å; Y196-I205 PolarHBondContact O-N 3.49Å; I205-I219 HydrophobicContact CB-CD1 4.47Å; I205-I219 HydrophobicContact CG2-CD1 4.22Å; I205-I224 HydrophobicContact CD1-CB 4.38Å; I205-I224 HydrophobicContact CD1-CG1 4.06Å; I205-I224 HydrophobicContact CD1-CG2 4.38Å; I205-V227 HydrophobicContact CD1-CB 4.17Å; I205-V227 HydrophobicContact CD1-CG1 4.17Å; I205-V227 HydrophobicContact CD1-CG2 4.12Å; I205-V227 HydrophobicContact CG1-CG1 4.34Å; I205-V227 HydrophobicContact CG1-CG2 4.38Å; I205-V227 HydrophobicContact CG2-CG2 4.19Å
206L90.9Very high83.7Confident0 Ų066.3 Ų66.30%034%0.343CS..EExtended strand (participates in β ladder)trans-112.6128174.5-57.3178.7000109.1V160 F161 W163 F166 V184 V193 A194 T195 T204 F208V160-L206 CarbonylContact C-O 3.59Å; V160-L206 WeakPolarHBondContact CA-O 3.29Å; F161-L206 PolarHBondContact N-O 2.76Å; F161-L206 PolarHBondContact O-N 3.42Å; W163-L206 HydrophobicContact CE3-CD1 3.82Å; W163-L206 HydrophobicContact CE3-CD2 4.1Å; W163-L206 HydrophobicContact CE3-CG 4.26Å; W163-L206 HydrophobicContact CZ3-CD1 4.15Å; W163-L206 HydrophobicContact CZ3-CD2 4.37Å; F166-L206 HydrophobicContact CB-CD1 3.98Å; F166-L206 HydrophobicContact CD1-CD1 3.58Å; F166-L206 HydrophobicContact CE1-CD1 4.21Å; F166-L206 HydrophobicContact CG-CD1 3.76Å; V184-L206 HydrophobicContact CG1-CD2 4.08Å; V193-L206 HydrophobicContact CG2-CB 4.22Å; V193-L206 HydrophobicContact CG2-CD2 4.46Å; A194-L206 WeakPolarHBondContact O-CA 3.48Å; T195-L206 HydrophobicContact CG2-CD2 3.77Å; T204-L206 HydrophobicContact CG2-CD2 4.27Å; L206-F208 HydrophobicContact CB-CE2 4.07Å; L206-F208 HydrophobicContact CD1-CE2 4.48Å; L206-F208 HydrophobicContact CD1-CZ 4.39Å
207K90.8Very high83.7Confident22 Ų2262.9 Ų62.910%0.09633%0.331CS..EExtended strand (participates in β ladder)trans-119.4113170.8-178.3170.3-174.6169.20110.5N159 V160 V193 A194 P217 T218 I219 D223N159-K207 CarbonylContact O-C 3.59Å; N159-K207 WeakPolarHBondContact O-CA 3.47Å; V160-K207 HydrophobicContact CG2-CB 4.28Å; V160-K207 HydrophobicContact CG2-CD 4.08Å; V160-K207 HydrophobicContact CG2-CG 3.96Å; V193-K207 CarbonylContact C-O 3.58Å; V193-K207 VanDerWaalsContact CA-O 3.3Å; V193-K207 WeakPolarHBondContact CA-O 3.4Å; A194-K207 PolarHBondContact N-O 3.09Å; A194-K207 PolarHBondContact O-N 2.82Å; K207-P217 HydrophobicContact CG-CB 4.41Å; K207-T218 VanDerWaalsContact CD-O 3.26Å; K207-T218 WeakPolarHBondContact CD-O 3.49Å; K207-T218 WeakPolarHBondContact CE-O 3.45Å; K207-T218 PolarHBondContact NZ-O 3.28Å; K207-I219 HydrophobicContact CB-CD1 4.29Å; K207-I219 HydrophobicContact CB-CG1 3.69Å; K207-I219 HydrophobicContact CD-CG1 4.33Å; K207-D223 IonicContact NZ-OD1 3.19Å; K207-D223 PolarHBondContact NZ-OD1 2.72Å; K207-D223 IonicContact NZ-OD2 3.55Å; K207-D223 PolarHBondContact NZ-OD2 3.35Å
208F91.2Very high83.8Confident0 Ų064 Ų640%034%0.344CS..EExtended strand (participates in β ladder)trans-81.6141.7177.8-66.1-87.3000110.5Y143 R146 N159 F161 F166 L187 L192 V193 L206Y143-F208 AromaticContact CD2-CD1 3.99Å; Y143-F208 HydrophobicContact CD2-CD1 3.99Å; R146-F208 HydrophobicContact CB-CB 4.49Å; N159-F208 HydrophobicContact CB-CB 4.4Å; N159-F208 WeakPolarHBondContact CB-O 3.49Å; N159-F208 PolarHBondContact ND2-O 3.13Å; N159-F208 PolarHBondContact O-N 3.41Å; F161-F208 AromaticContact CD2-CD2 3.52Å; F161-F208 HydrophobicContact CD2-CD2 3.52Å; F161-F208 AromaticContact CD2-CE2 3.57Å; F161-F208 HydrophobicContact CD2-CE2 3.57Å; F161-F208 AromaticContact CE2-CD2 3.68Å; F161-F208 HydrophobicContact CE2-CD2 3.68Å; F161-F208 HydrophobicContact CE2-CE2 4.03Å; F161-F208 HydrophobicContact CG-CE2 4.41Å; F166-F208 HydrophobicContact CD2-CE2 4.05Å; F166-F208 HydrophobicContact CD2-CZ 4.19Å; F166-F208 HydrophobicContact CE1-CZ 4.01Å; F166-F208 AromaticContact CE2-CE2 3.67Å; F166-F208 HydrophobicContact CE2-CE2 3.67Å; F166-F208 AromaticContact CE2-CZ 3.51Å; F166-F208 HydrophobicContact CE2-CZ 3.51Å; F166-F208 HydrophobicContact CZ-CE1 4.27Å; F166-F208 HydrophobicContact CZ-CE2 4.06Å; F166-F208 AromaticContact CZ-CZ 3.4Å; F166-F208 HydrophobicContact CZ-CZ 3.4Å; F166-F208 VanDerWaalsContact CZ-CZ 3.4Å; L187-F208 HydrophobicContact CD1-CE1 3.94Å; L192-F208 CarbonylContact O-C 3.58Å; L192-F208 WeakPolarHBondContact O-CA 3.49Å; V193-F208 HydrophobicContact CB-CD1 4.06Å; V193-F208 HydrophobicContact CB-CE1 4.16Å; V193-F208 HydrophobicContact CG2-CD1 3.97Å; V193-F208 HydrophobicContact CG2-CE1 3.91Å; V193-F208 HydrophobicContact CG2-CE2 4.48Å; V193-F208 HydrophobicContact CG2-CG 4.31Å; V193-F208 HydrophobicContact CG2-CZ 4.17Å; L206-F208 HydrophobicContact CB-CE2 4.07Å; L206-F208 HydrophobicContact CD1-CE2 4.48Å; L206-F208 HydrophobicContact CD1-CZ 4.39Å
209R88.9Confident84.2Confident53 Ų5365.7 Ų65.720%0.235%0.352CS..PPolyproline II helixtrans-69.8137.8173.7-173.8176.4170167.1-0.1110.1Y143 G191 L192 E213 K214 T215 P217Y143-R209 PolarHBondContact OH-O 3.34Å; G191-R209 WeakPolarHBondContact O-CD 3.24Å; L192-R209 PolarHBondContact O-N 2.97Å; R209-E213 WeakPolarHBondContact CA-OE2 3.47Å; R209-E213 HydrophobicContact CG-CB 4.03Å; R209-E213 VanDerWaalsContact CZ-O 3.27Å; R209-E213 PolarHBondContact NE-O 3Å; R209-E213 PolarHBondContact NH2-O 2.87Å; R209-K214 PolarHBondContact NH2-O 3.34Å; R209-T215 VanDerWaalsContact CZ-O 3.27Å; R209-T215 PolarHBondContact NE-O 3.34Å; R209-P217 HydrophobicContact CB-CB 4.27Å; R209-P217 HydrophobicContact CB-CG 4.07Å
210M85.5Confident84.8Confident22 Ų2261.2 Ų61.211%0.10833%0.33CS..PPolyproline II helixtrans-84.8151.2175-65.9-63.7-87.200111.6Q158 N159 H212 E213Q158-M210 HydrophobicContact CB-CE 4.02Å; N159-M210 HydrophobicContact CB-CG 4.18Å; N159-M210 HydrophobicContact CB-SD 3.68Å; M210-H212 WeakPolarHBondContact CB-CE1 3.32Å; M210-H212 PolarHBondContact O-N 2.9Å; M210-H212 VanDerWaalsContact O-N 3.07Å; M210-E213 HydrophobicContact CB-CG 3.97Å; M210-E213 PolarHBondContact N-OE2 3.08Å; M210-E213 WeakPolarHBondContact O-CB 3.26Å; M210-E213 PolarHBondContact O-N 3.39Å
211P82.3Confident85.3Confident94 Ų9458.1 Ų58.161%0.6131%0.312SS*.THydrogen-bonded Turntrans-56.9-28.7-178.6-27.134.9000114.8
212H79.8Confident85.9Confident144 Ų14454.4 Ų54.467%0.66729%0.293SS*.THydrogen-bonded Turntrans-86.1-13.2-179.661.7-91.6000113.2M210M210-H212 WeakPolarHBondContact CB-CE1 3.32Å; M210-H212 PolarHBondContact O-N 2.9Å; M210-H212 VanDerWaalsContact O-N 3.07Å
213E83.3Confident86.3Confident52 Ų5253.1 Ų53.124%0.24328%0.276CS..  trans-79.8127.1-179.5-70.8174.9158.200110.6R209 M210R209-E213 WeakPolarHBondContact CA-OE2 3.47Å; R209-E213 HydrophobicContact CG-CB 4.03Å; R209-E213 VanDerWaalsContact CZ-O 3.27Å; R209-E213 PolarHBondContact NE-O 3Å; R209-E213 PolarHBondContact NH2-O 2.87Å; M210-E213 HydrophobicContact CB-CG 3.97Å; M210-E213 PolarHBondContact N-OE2 3.08Å; M210-E213 WeakPolarHBondContact O-CB 3.26Å; M210-E213 PolarHBondContact O-N 3.39Å
214K81.2Confident86.4Confident197 Ų19752.8 Ų52.886%0.85727%0.274SS*.  trans-91.2-19.8176.3-68.6-176.2-179.9178.30113.2R209R209-K214 PolarHBondContact NH2-O 3.34Å
215T85.7Confident86Confident102 Ų10252.5 Ų52.563%0.62627%0.272SS*.SBendtrans-89.9162.4-179.850.10000111.2R209R209-T215 VanDerWaalsContact CZ-O 3.27Å; R209-T215 PolarHBondContact NE-O 3.34Å
216L88.4Confident85.8Confident113 Ų11352.4 Ų52.459%0.59227%0.272SS*.PPolyproline II helixtrans-62.4144168.5-65.3172.8000109.5T218L216-T218 PolarHBondContact O-N 3.45Å
217P88.5Confident85.5Confident13 Ų1352.4 Ų52.48%0.08427%0.272CS..PPolyproline II helixtrans-62.5138.3174.327-32.2000109G191 A194 K207 R209G191-P217 WeakPolarHBondContact O-CD 3.31Å; A194-P217 HydrophobicContact CB-CB 4.12Å; A194-P217 HydrophobicContact CB-CG 4.06Å; A194-P217 WeakPolarHBondContact CB-O 3.13Å; K207-P217 HydrophobicContact CG-CB 4.41Å; R209-P217 HydrophobicContact CB-CB 4.27Å; R209-P217 HydrophobicContact CB-CG 4.07Å
218T89Confident85.3Confident93 Ų9352.8 Ų52.857%0.57127%0.274SS*.  trans-129.2130.2175.951.90000108.7K207 L216K207-T218 VanDerWaalsContact CD-O 3.26Å; K207-T218 WeakPolarHBondContact CD-O 3.49Å; K207-T218 WeakPolarHBondContact CE-O 3.45Å; K207-T218 PolarHBondContact NZ-O 3.28Å; L216-T218 PolarHBondContact O-N 3.45Å
219I88Confident85Confident39 Ų3952.9 Ų52.920%0.227%0.274CS..  trans-81.3121.2176-64.5172.4000107.1A194 Y196 I205 K207 D223 I224A194-I219 HydrophobicContact CB-CD1 4.12Å; A194-I219 HydrophobicContact CB-CG1 3.97Å; Y196-I219 VanDerWaalsContact CB-CD1 3.42Å; Y196-I219 HydrophobicContact CG-CG2 4.39Å; I205-I219 HydrophobicContact CB-CD1 4.47Å; I205-I219 HydrophobicContact CG2-CD1 4.22Å; K207-I219 HydrophobicContact CB-CD1 4.29Å; K207-I219 HydrophobicContact CB-CG1 3.69Å; K207-I219 HydrophobicContact CD-CG1 4.33Å; I219-D223 HydrophobicContact CG2-CB 4.23Å; I219-I224 HydrophobicContact CG2-CD1 4.33Å; I219-I224 HydrophobicContact CG2-CG1 3.92Å
220T86.1Confident84.8Confident47 Ų4750.6 Ų50.629%0.28827%0.266SS..  trans-104.3167.9-177.566.60000110.2S222 D223 I224T220-S222 PolarHBondContact O-N 3.44Å; T220-D223 WeakPolarHBondContact CA-OD2 3.17Å; T220-D223 WeakPolarHBondContact CB-OD2 3.42Å; T220-D223 PolarHBondContact N-OD2 3.16Å; T220-D223 WeakPolarHBondContact O-CB 3.43Å; T220-D223 PolarHBondContact O-N 3.02Å; T220-D223 VanDerWaalsContact O-N 3.16Å; T220-D223 VanDerWaalsContact OG1-CG 3.23Å; T220-D223 PolarHBondContact OG1-N 2.9Å; T220-D223 PolarHBondContact OG1-OD2 2.65Å; T220-I224 PolarHBondContact O-N 3.41Å
221E82.2Confident84.8Confident59 Ų5951.6 Ų51.628%0.27627%0.27SS..Hα-helixtrans-63.6-30.6174.9-167.3175173.500112.3S225 N303 Y331E221-S225 VanDerWaalsContact O-CB 3.31Å; E221-S225 WeakPolarHBondContact O-CB 3.35Å; E221-S225 PolarHBondContact O-N 2.82Å; E221-S225 PolarHBondContact O-OG 3.46Å; E221-N303 HydrophobicContact CB-CB 4.47Å; E221-N303 VanDerWaalsContact OE2-CB 3.29Å; E221-N303 WeakPolarHBondContact OE2-CB 3.49Å; E221-N303 VanDerWaalsContact OE2-CG 3.27Å; E221-N303 PolarHBondContact OE2-ND2 3.24Å; E221-Y331 WeakPolarHBondContact CG-OH 3.28Å
222S82.6Confident84.9Confident15 Ų1547.4 Ų47.411%0.10524%0.242CC..Hα-helixtrans-60.3-48.4171.6178.50000110.7T220 I224 S225 A226 V297T220-S222 PolarHBondContact O-N 3.44Å; S222-I224 PolarHBondContact O-N 2.91Å; S222-S225 PolarHBondContact O-N 3.28Å; S222-A226 WeakPolarHBondContact O-CB 3.19Å; S222-A226 PolarHBondContact O-N 2.74Å; S222-V297 WeakPolarHBondContact O-CG1 3.34Å; S222-V297 WeakPolarHBondContact OG-CG1 3.48Å; S222-V297 PolarHBondContact OG-O 3.04Å
223D85.1Confident85.2Confident17 Ų1742 Ų429%0.09122%0.216CC..Hα-helixtrans-60.1-45.5-179.7-55-61.1000111.3V160 K207 I219 T220 A226 V227V160-D223 HydrophobicContact CG1-CB 4.31Å; V160-D223 HydrophobicContact CG2-CB 4.12Å; V160-D223 WeakPolarHBondContact CG2-OD1 3.15Å; K207-D223 IonicContact NZ-OD1 3.19Å; K207-D223 PolarHBondContact NZ-OD1 2.72Å; K207-D223 IonicContact NZ-OD2 3.55Å; K207-D223 PolarHBondContact NZ-OD2 3.35Å; I219-D223 HydrophobicContact CG2-CB 4.23Å; T220-D223 WeakPolarHBondContact CA-OD2 3.17Å; T220-D223 WeakPolarHBondContact CB-OD2 3.42Å; T220-D223 PolarHBondContact N-OD2 3.16Å; T220-D223 WeakPolarHBondContact O-CB 3.43Å; T220-D223 PolarHBondContact O-N 3.02Å; T220-D223 VanDerWaalsContact O-N 3.16Å; T220-D223 VanDerWaalsContact OG1-CG 3.23Å; T220-D223 PolarHBondContact OG1-N 2.9Å; T220-D223 PolarHBondContact OG1-OD2 2.65Å; D223-A226 PolarHBondContact O-N 2.83Å; D223-V227 WeakPolarHBondContact O-CG2 3.34Å; D223-V227 PolarHBondContact O-N 3.26Å
224I85.2Confident85.4Confident17 Ų1742.3 Ų42.39%0.08722%0.217CC..Hα-helixtrans-63.7-47.1179.2-60.8167.4000110.5Y196 I205 I219 T220 S222 A226 V227 K228 Y331Y196-I224 HydrophobicContact CD1-CD1 4.04Å; Y196-I224 HydrophobicContact CD1-CG1 4.15Å; Y196-I224 HydrophobicContact CE1-CD1 3.64Å; Y196-I224 HydrophobicContact CE1-CG1 4.05Å; Y196-I224 HydrophobicContact CE2-CD1 4.49Å; I205-I224 HydrophobicContact CD1-CB 4.38Å; I205-I224 HydrophobicContact CD1-CG1 4.06Å; I205-I224 HydrophobicContact CD1-CG2 4.38Å; I219-I224 HydrophobicContact CG2-CD1 4.33Å; I219-I224 HydrophobicContact CG2-CG1 3.92Å; T220-I224 PolarHBondContact O-N 3.41Å; S222-I224 PolarHBondContact O-N 2.91Å; I224-A226 VanDerWaalsContact C-N 3.32Å; I224-A226 PolarHBondContact O-N 3.28Å; I224-V227 PolarHBondContact O-N 3.24Å; I224-K228 PolarHBondContact O-N 3.35Å; I224-Y331 HydrophobicContact CG2-CE1 4.01Å; I224-Y331 WeakPolarHBondContact CG2-OH 3.46Å
225S82.6Confident85.7Confident0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-62-43.1-179.7-58.30000111.2E221 S222 V227 K228 L229E221-S225 VanDerWaalsContact O-CB 3.31Å; E221-S225 WeakPolarHBondContact O-CB 3.35Å; E221-S225 PolarHBondContact O-N 2.82Å; E221-S225 PolarHBondContact O-OG 3.46Å; S222-S225 PolarHBondContact O-N 3.28Å; S225-V227 PolarHBondContact O-N 2.9Å; S225-K228 PolarHBondContact O-N 3.15Å; S225-L229 VanDerWaalsContact O-CG 3.29Å; S225-L229 WeakPolarHBondContact O-CG 3.41Å; S225-L229 PolarHBondContact O-N 3.44Å
226A84.7Confident85.8Confident1 Ų133.5 Ų33.51%0.00817%0.172CC..Hα-helixtrans-67.8-36-179.300000111.2V156 S222 D223 I224 L229 V230 L294 V297V156-A226 HydrophobicContact CG1-CB 3.07Å; S222-A226 WeakPolarHBondContact O-CB 3.19Å; S222-A226 PolarHBondContact O-N 2.74Å; D223-A226 PolarHBondContact O-N 2.83Å; I224-A226 VanDerWaalsContact C-N 3.32Å; I224-A226 PolarHBondContact O-N 3.28Å; A226-L229 PolarHBondContact O-N 2.61Å; A226-V230 WeakPolarHBondContact O-CG2 3.44Å; A226-V230 PolarHBondContact O-N 2.85Å; A226-L294 HydrophobicContact CB-CD1 3.66Å; A226-V297 HydrophobicContact CB-CG1 3.94Å
227V85.3Confident86Confident1 Ų131.2 Ų31.21%0.00616%0.158CC..Hα-helixtrans-59.7-48.5170.11680000111.6V156 V160 T162 I205 D223 I224 S225 L229 V230 K231V156-V227 HydrophobicContact CB-CG2 4.21Å; V156-V227 HydrophobicContact CG1-CG2 4.15Å; V156-V227 HydrophobicContact CG2-CB 4.28Å; V156-V227 HydrophobicContact CG2-CG2 3.84Å; V160-V227 HydrophobicContact CG1-CG2 3.71Å; T162-V227 HydrophobicContact CG2-CG1 3.55Å; I205-V227 HydrophobicContact CD1-CB 4.17Å; I205-V227 HydrophobicContact CD1-CG1 4.17Å; I205-V227 HydrophobicContact CD1-CG2 4.12Å; I205-V227 HydrophobicContact CG1-CG1 4.34Å; I205-V227 HydrophobicContact CG1-CG2 4.38Å; I205-V227 HydrophobicContact CG2-CG2 4.19Å; D223-V227 WeakPolarHBondContact O-CG2 3.34Å; D223-V227 PolarHBondContact O-N 3.26Å; I224-V227 PolarHBondContact O-N 3.24Å; S225-V227 PolarHBondContact O-N 2.9Å; V227-L229 VanDerWaalsContact C-N 3.31Å; V227-L229 PolarHBondContact O-N 3.29Å; V227-V230 PolarHBondContact O-N 3.37Å; V227-K231 WeakPolarHBondContact O-CG 3.32Å; V227-K231 PolarHBondContact O-N 2.94Å
228K85.1Confident86.1Confident30 Ų3032.5 Ų32.513%0.1317%0.171CC..Hα-helixtrans-61-40.3178.2-69.9-174.7176.3-1680111.6D198 D200 I224 S225 K231 L232 Y331 I334D198-K228 WeakPolarHBondContact OD2-CE 3.36Å; D198-K228 IonicContact OD2-NZ 3.87Å; D200-K228 IonicContact OD2-NZ 2.61Å; D200-K228 PolarHBondContact OD2-NZ 3.05Å; I224-K228 PolarHBondContact O-N 3.35Å; S225-K228 PolarHBondContact O-N 3.15Å; K228-K231 PolarHBondContact O-N 3.49Å; K228-L232 PolarHBondContact O-N 3.48Å; K228-Y331 HydrophobicContact CD-CD1 3.65Å; K228-Y331 HydrophobicContact CD-CE1 3.81Å; K228-I334 HydrophobicContact CB-CD1 3.6Å; K228-I334 HydrophobicContact CD-CD1 4.48Å
229L85.1Confident86.1Confident2 Ų231.5 Ų31.51%0.0116%0.156CC..Hα-helixtrans-65.6-39.9176.3-69.2169.8000113.2S225 A226 V227 L232 K233 V290 L293 L294 V297 I334S225-L229 VanDerWaalsContact O-CG 3.29Å; S225-L229 WeakPolarHBondContact O-CG 3.41Å; S225-L229 PolarHBondContact O-N 3.44Å; A226-L229 PolarHBondContact O-N 2.61Å; V227-L229 VanDerWaalsContact C-N 3.31Å; V227-L229 PolarHBondContact O-N 3.29Å; L229-L232 PolarHBondContact O-N 3.27Å; L229-K233 WeakPolarHBondContact O-CB 3.35Å; L229-K233 PolarHBondContact O-N 3.28Å; L229-V290 HydrophobicContact CB-CG1 4.3Å; L229-V290 HydrophobicContact CD2-CG1 4.16Å; L229-V290 WeakPolarHBondContact O-CG1 3.49Å; L229-L293 HydrophobicContact CD1-CD2 4.12Å; L229-L293 HydrophobicContact CD1-CG 3.77Å; L229-L293 HydrophobicContact CD2-CD2 3.52Å; L229-L293 HydrophobicContact CD2-CG 4.08Å; L229-L293 HydrophobicContact CG-CD2 4.48Å; L229-L294 HydrophobicContact CB-CD1 4.17Å; L229-L294 HydrophobicContact CD1-CB 4.42Å; L229-L294 HydrophobicContact CD1-CD1 4.44Å; L229-V297 HydrophobicContact CD1-CB 4.43Å; L229-V297 HydrophobicContact CD1-CG2 3.95Å; L229-I334 HydrophobicContact CD2-CD1 4.07Å; L229-I334 HydrophobicContact CD2-CG1 4.06Å; L229-I334 HydrophobicContact CG-CD1 4.14Å
230V85.2Confident86.3Confident4 Ų429.9 Ų29.92%0.02415%0.148CC..Hα-helixtrans-65.8-40.4174.7168.10000111.4V156 A226 V227 K233 K234 L294V156-V230 HydrophobicContact CB-CG2 4.41Å; V156-V230 HydrophobicContact CG2-CB 3.7Å; V156-V230 HydrophobicContact CG2-CG1 4.23Å; V156-V230 HydrophobicContact CG2-CG2 3.44Å; V156-V230 VanDerWaalsContact CG2-CG2 3.44Å; A226-V230 WeakPolarHBondContact O-CG2 3.44Å; A226-V230 PolarHBondContact O-N 2.85Å; V227-V230 PolarHBondContact O-N 3.37Å; V230-K233 WeakPolarHBondContact O-CB 3.45Å; V230-K233 PolarHBondContact O-N 3.31Å; V230-K234 WeakPolarHBondContact O-CG 3.42Å; V230-K234 PolarHBondContact O-N 3.02Å; V230-L294 HydrophobicContact CG2-CD1 4.11Å; V230-L294 HydrophobicContact CG2-CD2 3.75Å
231K84.9Confident86.7Confident44 Ų4431.1 Ų31.119%0.19115%0.153CC..Hα-helixtrans-59.4-47.8172.3-71.2-176.1-175.8-174.70111.4D201 D203 V227 K228 K233 K234 Q235D201-K231 IonicContact OD2-NZ 2.71Å; D201-K231 PolarHBondContact OD2-NZ 3.08Å; D203-K231 IonicContact OD2-NZ 2.64Å; V227-K231 WeakPolarHBondContact O-CG 3.32Å; V227-K231 PolarHBondContact O-N 2.94Å; K228-K231 PolarHBondContact O-N 3.49Å; K231-K233 VanDerWaalsContact C-N 3.34Å; K231-K233 PolarHBondContact O-N 2.84Å; K231-K234 PolarHBondContact O-N 2.87Å; K231-Q235 WeakPolarHBondContact O-CG 3.25Å; K231-Q235 PolarHBondContact O-N 3.26Å
232L84.6Confident87.3Confident5 Ų536.8 Ų36.83%0.02617%0.171CC..Hα-helixtrans-59.8-43.7177.5179.258.9000111.7K228 L229 K234 Q235 L236 V290 I334 V337 Q338K228-L232 PolarHBondContact O-N 3.48Å; L229-L232 PolarHBondContact O-N 3.27Å; L232-K234 PolarHBondContact O-N 2.85Å; L232-Q235 PolarHBondContact O-N 3.42Å; L232-L236 HydrophobicContact CD1-CD1 4.4Å; L232-L236 HydrophobicContact CD1-CG 4.25Å; L232-L236 HydrophobicContact CG-CD1 4.17Å; L232-L236 HydrophobicContact CG-CG 4.47Å; L232-L236 WeakPolarHBondContact O-CG 3.47Å; L232-L236 PolarHBondContact O-N 3.39Å; L232-V290 HydrophobicContact CD2-CG2 3.79Å; L232-V290 HydrophobicContact CG-CG2 4.26Å; L232-I334 HydrophobicContact CD2-CG2 3.85Å; L232-V337 HydrophobicContact CD2-CB 4.49Å; L232-V337 HydrophobicContact CD2-CG1 4.05Å; L232-Q338 HydrophobicContact CD1-CB 4.06Å; L232-Q338 HydrophobicContact CD1-CG 4.29Å
233K87.4Confident87.7Confident30 Ų3037 Ų3713%0.1317%0.171CC..Hα-helixtrans-55.8-48.2173.8175.7-168.1170.5-179.70111.6E152 L229 V230 K231 Q235 L236 Q237 K287 V290 L291E152-K233 PolarHBondContact O-NZ 3.4Å; L229-K233 WeakPolarHBondContact O-CB 3.35Å; L229-K233 PolarHBondContact O-N 3.28Å; V230-K233 WeakPolarHBondContact O-CB 3.45Å; V230-K233 PolarHBondContact O-N 3.31Å; K231-K233 VanDerWaalsContact C-N 3.34Å; K231-K233 PolarHBondContact O-N 2.84Å; K233-Q235 VanDerWaalsContact C-N 3.33Å; K233-Q235 PolarHBondContact O-N 2.94Å; K233-L236 PolarHBondContact O-N 3.35Å; K233-Q237 PolarHBondContact O-N 3.43Å; K233-K287 HydrophobicContact CG-CG 4.32Å; K233-V290 HydrophobicContact CB-CG1 4.22Å; K233-L291 HydrophobicContact CD-CD2 3.7Å; K233-L291 HydrophobicContact CD-CG 4.44Å
234K87.4Confident88.1Confident60 Ų6038.1 Ų38.126%0.26118%0.18SC..Hα-helixtrans-60.2-42.3177.7-73.8178176.71770111.4S153 D165 V230 K231 L232 Q237 A238S153-K234 WeakPolarHBondContact O-CE 3.37Å; D165-K234 IonicContact OD1-NZ 2.59Å; D165-K234 PolarHBondContact OD1-NZ 3.35Å; D165-K234 IonicContact OD2-NZ 2.59Å; D165-K234 PolarHBondContact OD2-NZ 2.93Å; V230-K234 WeakPolarHBondContact O-CG 3.42Å; V230-K234 PolarHBondContact O-N 3.02Å; K231-K234 PolarHBondContact O-N 2.87Å; L232-K234 PolarHBondContact O-N 2.85Å; K234-Q237 PolarHBondContact O-N 2.87Å; K234-A238 PolarHBondContact O-N 3.1Å
235Q86.7Confident88.6Confident105 Ų10543.6 Ų43.649%0.49121%0.205SC..Hα-helixtrans-64.3-44.8176.9-70.3174.7-8.700112.6K231 L232 K233 Q237 A238 R239K231-Q235 WeakPolarHBondContact O-CG 3.25Å; K231-Q235 PolarHBondContact O-N 3.26Å; L232-Q235 PolarHBondContact O-N 3.42Å; K233-Q235 VanDerWaalsContact C-N 3.33Å; K233-Q235 PolarHBondContact O-N 2.94Å; Q235-Q237 VanDerWaalsContact C-N 3.34Å; Q235-Q237 PolarHBondContact O-N 3.21Å; Q235-A238 PolarHBondContact O-N 3.02Å; Q235-R239 PolarHBondContact O-N 3.07Å
236L87.5Confident89.1Confident8 Ų848.3 Ų48.34%0.04223%0.226CC..Hα-helixtrans-60.7-43.8175.5-71.4172.1000111.2L232 K233 R239 I240 L283 T286 K287 V290 A341L232-L236 HydrophobicContact CD1-CD1 4.4Å; L232-L236 HydrophobicContact CD1-CG 4.25Å; L232-L236 HydrophobicContact CG-CD1 4.17Å; L232-L236 HydrophobicContact CG-CG 4.47Å; L232-L236 WeakPolarHBondContact O-CG 3.47Å; L232-L236 PolarHBondContact O-N 3.39Å; K233-L236 PolarHBondContact O-N 3.35Å; L236-R239 PolarHBondContact O-N 3.46Å; L236-I240 WeakPolarHBondContact O-CG1 3.42Å; L236-I240 PolarHBondContact O-N 3.35Å; L236-L283 HydrophobicContact CD2-CD2 3.9Å; L236-T286 HydrophobicContact CD1-CG2 3.96Å; L236-T286 HydrophobicContact CD2-CG2 4.37Å; L236-K287 HydrophobicContact CB-CB 4.38Å; L236-K287 HydrophobicContact CD1-CB 4.22Å; L236-V290 HydrophobicContact CD1-CG2 4Å; L236-A341 HydrophobicContact CD2-CB 4.19Å
237Q92.6Very high89.5Confident65 Ų6548.5 Ų48.530%0.30423%0.227SC..Hα-helixtrans-61.1-49.7176.9-173.560.553.100111.8K233 K234 Q235 R239 I240 D241K233-Q237 PolarHBondContact O-N 3.43Å; K234-Q237 PolarHBondContact O-N 2.87Å; Q235-Q237 VanDerWaalsContact C-N 3.34Å; Q235-Q237 PolarHBondContact O-N 3.21Å; Q237-R239 PolarHBondContact O-N 2.69Å; Q237-I240 WeakPolarHBondContact O-CB 3.42Å; Q237-I240 PolarHBondContact O-N 2.57Å; Q237-D241 PolarHBondContact NE2-OD1 2.7Å; Q237-D241 PolarHBondContact O-N 3.05Å
238A90.9Very high90Very high41 Ų4154.3 Ų54.334%0.33925%0.254SS..Hα-helixtrans-59.5-31.617800000112.6K234 Q235 R242K234-A238 PolarHBondContact O-N 3.1Å; Q235-A238 PolarHBondContact O-N 3.02Å; A238-R242 VanDerWaalsContact O-CG 3.29Å; A238-R242 WeakPolarHBondContact O-CG 3.43Å; A238-R242 PolarHBondContact O-N 3.22Å
239R89.2Confident90.4Very high72 Ų7255.3 Ų55.327%0.27227%0.265SS..Hα-helixtrans-73.1-42.3174.4-171.6179-177.3170.98.5112.4Q235 L236 Q237 D241 R242 L243 L283 D342Q235-R239 PolarHBondContact O-N 3.07Å; L236-R239 PolarHBondContact O-N 3.46Å; Q237-R239 PolarHBondContact O-N 2.69Å; R239-D241 VanDerWaalsContact C-N 3.31Å; R239-R242 PolarHBondContact O-N 3.01Å; R239-L243 HydrophobicContact CG-CD1 4.3Å; R239-L243 WeakPolarHBondContact O-CG 3.34Å; R239-L243 PolarHBondContact O-N 3.5Å; R239-L283 HydrophobicContact CB-CD1 4.24Å; R239-L283 HydrophobicContact CG-CD1 3.65Å; R239-D342 IonicContact CZ-OD1 3.7Å; R239-D342 IonicContact NH1-OD1 2.82Å; R239-D342 PolarHBondContact NH1-OD1 3.27Å; R239-D342 IonicContact NH2-OD1 2.91Å
240I92Very high90.8Very high4 Ų456.6 Ų56.62%0.02127%0.271CS..Hα-helixtrans-55.6-50.2173.2-72.2160.5000109.3L236 Q237 R242 L243 C244 V280 L283 E284 K287L236-I240 WeakPolarHBondContact O-CG1 3.42Å; L236-I240 PolarHBondContact O-N 3.35Å; Q237-I240 WeakPolarHBondContact O-CB 3.42Å; Q237-I240 PolarHBondContact O-N 2.57Å; I240-R242 PolarHBondContact O-N 2.98Å; I240-L243 PolarHBondContact O-N 3.49Å; I240-L243 VanDerWaalsContact O-N 3.09Å; I240-C244 PolarHBondContact O-N 2.89Å; I240-C244 PolarHBondContact O-SG 3.36Å; I240-C244 VanDerWaalsContact O-SG 3.36Å; I240-V280 HydrophobicContact CG2-CG1 4.07Å; I240-L283 HydrophobicContact CD1-CB 4.12Å; I240-L283 HydrophobicContact CG1-CB 3.67Å; I240-L283 HydrophobicContact CG1-CD1 4.31Å; I240-E284 HydrophobicContact CD1-CG 3.84Å; I240-E284 HydrophobicContact CG1-CG 4.36Å; I240-K287 HydrophobicContact CD1-CD 4.04Å
241D95.3Very high91.1Very high73 Ų7358.9 Ų58.939%0.3928%0.281SS..Hα-helixtrans-57.3-47.2-178.8-60.6-23.3000111.4Q237 R239 L243 C244 E245Q237-D241 PolarHBondContact NE2-OD1 2.7Å; Q237-D241 PolarHBondContact O-N 3.05Å; R239-D241 VanDerWaalsContact C-N 3.31Å; D241-L243 VanDerWaalsContact C-N 3.34Å; D241-L243 PolarHBondContact O-N 2.81Å; D241-C244 WeakPolarHBondContact O-CB 3.39Å; D241-C244 PolarHBondContact O-N 3.5Å; D241-E245 WeakPolarHBondContact O-CG 3.18Å; D241-E245 PolarHBondContact O-N 3.01Å
242R94.1Very high91.6Very high178 Ų17862 Ų6267%0.67230%0.296SS*.Hα-helixtrans-61.1-38.2176.4-72.3172.6-173.7174.64.2113.5A238 R239 I240 K246A238-R242 VanDerWaalsContact O-CG 3.29Å; A238-R242 WeakPolarHBondContact O-CG 3.43Å; A238-R242 PolarHBondContact O-N 3.22Å; R239-R242 PolarHBondContact O-N 3.01Å; I240-R242 PolarHBondContact O-N 2.98Å; R242-K246 WeakPolarHBondContact O-CB 3.44Å; R242-K246 PolarHBondContact O-N 3.31Å; R242-K246 VanDerWaalsContact O-N 3.15Å
243L90.3Very high91.9Very high20 Ų2064.4 Ų64.411%0.10531%0.309CS..Hα-helixtrans-72.2-36.3178.3-72.8170.3000111.4R239 I240 D241 K246 A247 K279 V280 L283R239-L243 HydrophobicContact CG-CD1 4.3Å; R239-L243 WeakPolarHBondContact O-CG 3.34Å; R239-L243 PolarHBondContact O-N 3.5Å; I240-L243 PolarHBondContact O-N 3.49Å; I240-L243 VanDerWaalsContact O-N 3.09Å; D241-L243 VanDerWaalsContact C-N 3.34Å; D241-L243 PolarHBondContact O-N 2.81Å; L243-K246 PolarHBondContact O-N 3.05Å; L243-A247 WeakPolarHBondContact O-CB 3.33Å; L243-A247 PolarHBondContact O-N 3.26Å; L243-K279 HydrophobicContact CD1-CB 3.88Å; L243-K279 HydrophobicContact CD2-CD 4.21Å; L243-V280 HydrophobicContact CB-CG2 3.6Å; L243-V280 HydrophobicContact CD1-CG2 4.34Å; L243-L283 HydrophobicContact CD1-CD1 3.43Å; L243-L283 VanDerWaalsContact CD1-CD1 3.43Å
244C94.7Very high92.1Very high41 Ų4163 Ų6328%0.27730%0.303SS..Hα-helixtrans-62.5-49.9173.1-71.60000111.3I240 D241 K246 A247 E248I240-C244 PolarHBondContact O-N 2.89Å; I240-C244 PolarHBondContact O-SG 3.36Å; I240-C244 VanDerWaalsContact O-SG 3.36Å; D241-C244 WeakPolarHBondContact O-CB 3.39Å; D241-C244 PolarHBondContact O-N 3.5Å; C244-K246 VanDerWaalsContact C-N 3.25Å; C244-K246 PolarHBondContact O-N 2.91Å; C244-A247 WeakPolarHBondContact O-CA 3.26Å; C244-A247 WeakPolarHBondContact O-CB 3.23Å; C244-A247 PolarHBondContact O-N 2.89Å; C244-E248 WeakPolarHBondContact O-CG 3.47Å; C244-E248 PolarHBondContact O-N 3.34Å
245E95.6Very high92.4Very high131 Ų13164.1 Ų64.161%0.61231%0.308SS*.Hα-helixtrans-55-42.4174.6-72.6176.6178.800111.7D241 E248 S249D241-E245 WeakPolarHBondContact O-CG 3.18Å; D241-E245 PolarHBondContact O-N 3.01Å; E245-E248 PolarHBondContact O-N 3.38Å; E245-S249 PolarHBondContact O-N 3.26Å
246K93.4Very high92.7Very high100 Ų10064.8 Ų64.844%0.43531%0.309SS..Hα-helixtrans-67.3-39.5176.7-168.1173.5-177.9178.10112.2R242 L243 C244 E248 S249 F250 Q276R242-K246 WeakPolarHBondContact O-CB 3.44Å; R242-K246 PolarHBondContact O-N 3.31Å; R242-K246 VanDerWaalsContact O-N 3.15Å; L243-K246 PolarHBondContact O-N 3.05Å; C244-K246 VanDerWaalsContact C-N 3.25Å; C244-K246 PolarHBondContact O-N 2.91Å; K246-E248 VanDerWaalsContact C-N 3.32Å; K246-S249 PolarHBondContact O-N 3.04Å; K246-S249 PolarHBondContact O-OG 2.78Å; K246-F250 HydrophobicContact CD-CE2 4.32Å; K246-F250 HydrophobicContact CG-CD2 4.31Å; K246-F250 HydrophobicContact CG-CE2 3.78Å; K246-F250 HydrophobicContact CG-CZ 4.43Å; K246-F250 VanDerWaalsContact O-CD2 3.24Å; K246-F250 WeakPolarHBondContact O-CD2 3.46Å; K246-F250 PolarHBondContact O-N 2.73Å; K246-Q276 HydrophobicContact CD-CG 4.39Å; K246-Q276 HydrophobicContact CG-CG 4.28Å
247A93Very high92.9Very high4 Ų467.3 Ų67.33%0.03332%0.321CS..Hα-helixtrans-62.5-40.1175.500000111.6L243 C244 F250 E251 K273 Q276 L277L243-A247 WeakPolarHBondContact O-CB 3.33Å; L243-A247 PolarHBondContact O-N 3.26Å; C244-A247 WeakPolarHBondContact O-CA 3.26Å; C244-A247 WeakPolarHBondContact O-CB 3.23Å; C244-A247 PolarHBondContact O-N 2.89Å; A247-F250 PolarHBondContact O-N 2.81Å; A247-E251 PolarHBondContact O-N 3.31Å; A247-E251 VanDerWaalsContact O-N 3.13Å; A247-K273 HydrophobicContact CB-CG 4.19Å; A247-Q276 HydrophobicContact CB-CB 4Å; A247-L277 HydrophobicContact CB-CD2 4.06Å; A247-L277 HydrophobicContact CB-CG 4.33Å
248E94.9Very high92.9Very high123 Ų12364.8 Ų64.858%0.57531%0.31SS*.Hα-helixtrans-62.4-43.8174.2-70.8176.8-17900111.6C244 E245 K246 F250 E251 E252C244-E248 WeakPolarHBondContact O-CG 3.47Å; C244-E248 PolarHBondContact O-N 3.34Å; E245-E248 PolarHBondContact O-N 3.38Å; K246-E248 VanDerWaalsContact C-N 3.32Å; E248-F250 VanDerWaalsContact C-N 3.3Å; E248-F250 PolarHBondContact O-N 3.49Å; E248-E251 WeakPolarHBondContact O-CA 3.4Å; E248-E251 VanDerWaalsContact O-CB 3.26Å; E248-E251 WeakPolarHBondContact O-CB 3.17Å; E248-E251 PolarHBondContact O-N 3.42Å; E248-E252 PolarHBondContact O-N 2.91Å
249S94.4Very high92.9Very high51 Ų5165.7 Ų65.736%0.35732%0.317SS..Hα-helixtrans-58.9-39.6176.977.30000112.9E245 K246 E251 E252 D253E245-S249 PolarHBondContact O-N 3.26Å; K246-S249 PolarHBondContact O-N 3.04Å; K246-S249 PolarHBondContact O-OG 2.78Å; S249-E251 VanDerWaalsContact C-N 3.31Å; S249-E251 PolarHBondContact O-N 2.69Å; S249-E252 PolarHBondContact O-N 2.98Å; S249-D253 PolarHBondContact O-N 2.91Å
250F92.5Very high93Very high30 Ų3065.7 Ų65.713%0.13233%0.333CS..Hα-helixtrans-69.2-29.9174.9-71.4-50.7000112.6K246 A247 E248 A254 S269 Q272 K273 Q276K246-F250 HydrophobicContact CD-CE2 4.32Å; K246-F250 HydrophobicContact CG-CD2 4.31Å; K246-F250 HydrophobicContact CG-CE2 3.78Å; K246-F250 HydrophobicContact CG-CZ 4.43Å; K246-F250 VanDerWaalsContact O-CD2 3.24Å; K246-F250 WeakPolarHBondContact O-CD2 3.46Å; K246-F250 PolarHBondContact O-N 2.73Å; A247-F250 PolarHBondContact O-N 2.81Å; E248-F250 VanDerWaalsContact C-N 3.3Å; E248-F250 PolarHBondContact O-N 3.49Å; F250-A254 WeakPolarHBondContact O-CB 3.38Å; F250-A254 PolarHBondContact O-N 3.29Å; F250-S269 WeakPolarHBondContact O-CB 3.48Å; F250-Q272 HydrophobicContact CD1-CB 3.76Å; F250-Q272 HydrophobicContact CD2-CB 3.78Å; F250-Q272 HydrophobicContact CE1-CB 3.78Å; F250-Q272 HydrophobicContact CE1-CG 4.25Å; F250-Q272 HydrophobicContact CE2-CB 3.79Å; F250-Q272 HydrophobicContact CG-CB 3.78Å; F250-Q272 HydrophobicContact CZ-CB 3.79Å; F250-Q272 HydrophobicContact CZ-CG 4.37Å; F250-K273 HydrophobicContact CB-CB 3.88Å; F250-Q276 HydrophobicContact CD2-CG 4.04Å; F250-Q276 HydrophobicContact CE2-CG 3.86Å
251E92.4Very high92.8Very high51 Ų5174.4 Ų74.424%0.23837%0.37CS..Hα-helixtrans-66.8-42.8172-166-177144.400111.6A247 E248 S249 D253 A254 K255 K273A247-E251 PolarHBondContact O-N 3.31Å; A247-E251 VanDerWaalsContact O-N 3.13Å; E248-E251 WeakPolarHBondContact O-CA 3.4Å; E248-E251 VanDerWaalsContact O-CB 3.26Å; E248-E251 WeakPolarHBondContact O-CB 3.17Å; E248-E251 PolarHBondContact O-N 3.42Å; S249-E251 VanDerWaalsContact C-N 3.31Å; S249-E251 PolarHBondContact O-N 2.69Å; E251-D253 VanDerWaalsContact C-N 3.34Å; E251-D253 PolarHBondContact O-N 3.2Å; E251-A254 WeakPolarHBondContact O-CB 3.42Å; E251-A254 PolarHBondContact O-N 2.96Å; E251-K255 WeakPolarHBondContact O-CG 3.29Å; E251-K255 PolarHBondContact O-N 2.86Å; E251-K255 WeakPolarHBondContact OE1-CE 3.34Å; E251-K255 IonicContact OE1-NZ 2.69Å; E251-K255 PolarHBondContact OE1-NZ 3.15Å; E251-K273 HydrophobicContact CB-CD 4.06Å; E251-K273 HydrophobicContact CG-CD 4.44Å; E251-K273 IonicContact OE2-NZ 2.9Å; E251-K273 PolarHBondContact OE2-NZ 3.08Å
252E93.7Very high92.6Very high110 Ų11074.1 Ų74.151%0.51437%0.369SS..Hα-helixtrans-61.5-42.9175.2-66.5-170.7163.900111.9E248 S249 A254 K255 K256E248-E252 PolarHBondContact O-N 2.91Å; S249-E252 PolarHBondContact O-N 2.98Å; E252-A254 VanDerWaalsContact C-N 3.34Å; E252-A254 PolarHBondContact O-N 2.81Å; E252-K255 WeakPolarHBondContact O-CB 3.45Å; E252-K255 PolarHBondContact O-N 2.79Å; E252-K256 WeakPolarHBondContact O-CG 3.32Å; E252-K256 PolarHBondContact O-N 3.33Å
253D92.5Very high92.3Very high56 Ų5669.5 Ų69.530%0.29936%0.361SS..Hα-helixtrans-65.8-37.5176.6-73.4-13.6000112S249 E251 K255 K256 H257S249-D253 PolarHBondContact O-N 2.91Å; E251-D253 VanDerWaalsContact C-N 3.34Å; E251-D253 PolarHBondContact O-N 3.2Å; D253-K255 VanDerWaalsContact C-N 3.34Å; D253-K255 PolarHBondContact O-N 3.4Å; D253-K256 PolarHBondContact O-N 2.87Å; D253-K256 IonicContact OD1-NZ 3.05Å; D253-K256 PolarHBondContact OD1-NZ 2.74Å; D253-H257 WeakPolarHBondContact O-CB 3.45Å; D253-H257 PolarHBondContact O-CD2 2.8Å; D253-H257 PolarHBondContact O-N 3.46Å
254A92Very high92.1Very high0 Ų072.7 Ų72.70%038%0.384CS..Hα-helixtrans-59.8-44.8171.600000111.4F250 E251 E252 H257 V258 L270 L371F250-A254 WeakPolarHBondContact O-CB 3.38Å; F250-A254 PolarHBondContact O-N 3.29Å; E251-A254 WeakPolarHBondContact O-CB 3.42Å; E251-A254 PolarHBondContact O-N 2.96Å; E252-A254 VanDerWaalsContact C-N 3.34Å; E252-A254 PolarHBondContact O-N 2.81Å; A254-H257 PolarHBondContact O-N 3.05Å; A254-V258 WeakPolarHBondContact O-CG2 3.31Å; A254-V258 PolarHBondContact O-N 3.15Å; A254-L270 HydrophobicContact CB-CD2 3.9Å; A254-L270 HydrophobicContact CB-CG 3.88Å; A254-L371 HydrophobicContact CB-CD1 3.87Å
255K92.5Very high91.8Very high84 Ų8471.5 Ų71.537%0.36538%0.378SS..Hα-helixtrans-60.4-44.4175.5-71.5168.4-176.5164.20111.8E251 E252 D253 H257 V258 A259 L371E251-K255 WeakPolarHBondContact O-CG 3.29Å; E251-K255 PolarHBondContact O-N 2.86Å; E251-K255 WeakPolarHBondContact OE1-CE 3.34Å; E251-K255 IonicContact OE1-NZ 2.69Å; E251-K255 PolarHBondContact OE1-NZ 3.15Å; E252-K255 WeakPolarHBondContact O-CB 3.45Å; E252-K255 PolarHBondContact O-N 2.79Å; D253-K255 VanDerWaalsContact C-N 3.34Å; D253-K255 PolarHBondContact O-N 3.4Å; K255-H257 PolarHBondContact O-N 3.42Å; K255-V258 PolarHBondContact O-N 2.9Å; K255-A259 PolarHBondContact O-N 3.17Å; K255-L371 HydrophobicContact CG-CD2 3.97Å
256K93.3Very high91.6Very high118 Ų11865.3 Ų65.351%0.51335%0.349SS..Hα-helixtrans-60.9-43175.4-67.6168.7-159.5153.90111.7E252 D253 A259 A260E252-K256 WeakPolarHBondContact O-CG 3.32Å; E252-K256 PolarHBondContact O-N 3.33Å; D253-K256 PolarHBondContact O-N 2.87Å; D253-K256 IonicContact OD1-NZ 3.05Å; D253-K256 PolarHBondContact OD1-NZ 2.74Å; K256-A259 PolarHBondContact O-N 3.05Å; K256-A260 WeakPolarHBondContact O-CB 3.5Å; K256-A260 PolarHBondContact O-N 2.82Å
257H92.5Very high91.3Very high61 Ų6162.7 Ų62.728%0.28234%0.337SS..Hα-helixtrans-68.7-35.7178.1-74-46.6000113.2D253 A254 K255 A260 K261 N262 A265 A266 S269D253-H257 WeakPolarHBondContact O-CB 3.45Å; D253-H257 PolarHBondContact O-CD2 2.8Å; D253-H257 PolarHBondContact O-N 3.46Å; A254-H257 PolarHBondContact O-N 3.05Å; K255-H257 PolarHBondContact O-N 3.42Å; H257-A260 CarbonylContact O-C 3.59Å; H257-A260 PolarHBondContact O-N 3.34Å; H257-K261 PolarHBondContact O-N 3.44Å; H257-N262 PolarHBondContact O-N 2.88Å; H257-A265 HydrophobicContact CB-CB 4.11Å; H257-A265 VanDerWaalsContact CG-CB 3.49Å; H257-A265 WeakPolarHBondContact ND1-CB 3.29Å; H257-A266 HydrophobicContact CB-CB 3.79Å; H257-S269 PolarHBondContact CD2-OG 3.25Å
258V91.3Very high91.1Very high12 Ų1270.5 Ų70.57%0.07337%0.366CS..Hα-helixtrans-61.4-47.7171.5166.80000110.7A254 K255 A260 K261 A266 L368 L371 L372 E375A254-V258 WeakPolarHBondContact O-CG2 3.31Å; A254-V258 PolarHBondContact O-N 3.15Å; K255-V258 PolarHBondContact O-N 2.9Å; V258-A260 VanDerWaalsContact C-N 3.27Å; V258-A260 PolarHBondContact O-N 2.89Å; V258-K261 WeakPolarHBondContact O-CA 3.32Å; V258-K261 PolarHBondContact O-N 3.3Å; V258-A266 HydrophobicContact CG2-CB 3.79Å; V258-L368 HydrophobicContact CG2-CD1 3.86Å; V258-L371 HydrophobicContact CG2-CB 4.26Å; V258-L372 HydrophobicContact CG1-CD2 3.66Å; V258-L372 HydrophobicContact CG1-CG 4.28Å; V258-E375 HydrophobicContact CG1-CB 4.16Å; V258-E375 HydrophobicContact CG1-CG 4.33Å
259A90.7Very high90.8Very high60 Ų6064.9 Ų64.950%0.49634%0.341SS..Hα-helixtrans-61.2-35.8176.100000112.6K255 K256 K261K255-A259 PolarHBondContact O-N 3.17Å; K256-A259 PolarHBondContact O-N 3.05Å; A259-K261 PolarHBondContact O-N 3.45Å
260A91.3Very high90.7Very high72 Ų7263 Ų6360%0.59533%0.326SS*.THydrogen-bonded Turntrans-77.74.1174.100000114.2K256 H257 V258 N262K256-A260 WeakPolarHBondContact O-CB 3.5Å; K256-A260 PolarHBondContact O-N 2.82Å; H257-A260 CarbonylContact O-C 3.59Å; H257-A260 PolarHBondContact O-N 3.34Å; V258-A260 VanDerWaalsContact C-N 3.27Å; V258-A260 PolarHBondContact O-N 2.89Å; A260-N262 PolarHBondContact O-N 2.94Å
261K89Confident90.4Very high188 Ų18866.5 Ų66.582%0.81734%0.339SS*.THydrogen-bonded Turntrans57.123.4-175.6-56.1-179.1178.8-179.60114.1H257 V258 A259 T263H257-K261 PolarHBondContact O-N 3.44Å; V258-K261 WeakPolarHBondContact O-CA 3.32Å; V258-K261 PolarHBondContact O-N 3.3Å; A259-K261 PolarHBondContact O-N 3.45Å; K261-T263 PolarHBondContact O-N 2.96Å
262N90.5Very high90.2Very high66 Ų6667.2 Ų67.235%0.35334%0.342SS..  trans-97.581.3177-169.5-14000110.4H257 A260 S264 A265 A266H257-N262 PolarHBondContact O-N 2.88Å; A260-N262 PolarHBondContact O-N 2.94Å; N262-S264 VanDerWaalsContact C-N 3.28Å; N262-S264 PolarHBondContact O-N 3.28Å; N262-S264 PolarHBondContact OD1-N 2.9Å; N262-S264 PolarHBondContact OD1-OG 2.82Å; N262-A265 HydrophobicContact CB-CB 4.23Å; N262-A265 VanDerWaalsContact CG-CB 3.49Å; N262-A265 WeakPolarHBondContact ND2-CB 3.43Å; N262-A265 PolarHBondContact O-N 3.14Å; N262-A265 PolarHBondContact OD1-N 3Å; N262-A265 VanDerWaalsContact OD1-N 3.14Å; N262-A266 PolarHBondContact O-N 3.11Å
263T87.8Confident90Very high82 Ų8264.3 Ų64.350%0.50333%0.328SS..Hα-helixtrans-61-35.7-178.554.60000112.8K261 A266 K267K261-T263 PolarHBondContact O-N 2.96Å; T263-A266 PolarHBondContact O-N 3.25Å; T263-K267 WeakPolarHBondContact O-CB 3.36Å; T263-K267 PolarHBondContact O-N 3.3Å
264S86.8Confident89.8Confident86 Ų8663.2 Ų63.260%0.60132%0.321SS*.Hα-helixtrans-64.5-43.5179.371.40000112.3N262 R268N262-S264 VanDerWaalsContact C-N 3.28Å; N262-S264 PolarHBondContact O-N 3.28Å; N262-S264 PolarHBondContact OD1-N 2.9Å; N262-S264 PolarHBondContact OD1-OG 2.82Å; S264-R268 PolarHBondContact O-N 2.92Å; S264-R268 VanDerWaalsContact O-N 3.14Å
265A88.9Confident89.2Confident17 Ų1763.3 Ų63.314%0.1432%0.322CS..Hα-helixtrans-71.8-38.6177.300000111.5H257 N262 K267 R268 S269H257-A265 HydrophobicContact CB-CB 4.11Å; H257-A265 VanDerWaalsContact CG-CB 3.49Å; H257-A265 WeakPolarHBondContact ND1-CB 3.29Å; N262-A265 HydrophobicContact CB-CB 4.23Å; N262-A265 VanDerWaalsContact CG-CB 3.49Å; N262-A265 WeakPolarHBondContact ND2-CB 3.43Å; N262-A265 PolarHBondContact O-N 3.14Å; N262-A265 PolarHBondContact OD1-N 3Å; N262-A265 VanDerWaalsContact OD1-N 3.14Å; A265-K267 PolarHBondContact O-N 3.44Å; A265-R268 WeakPolarHBondContact O-CB 3.29Å; A265-R268 PolarHBondContact O-N 3.02Å; A265-S269 PolarHBondContact O-N 3.11Å; A265-S269 PolarHBondContact O-OG 2.85Å
266A89.8Confident88.9Confident0 Ų060 Ų600%031%0.308CS..Hα-helixtrans-59.5-46.6173.800000112H257 V258 N262 T263 R268 S269 L270 L368H257-A266 HydrophobicContact CB-CB 3.79Å; V258-A266 HydrophobicContact CG2-CB 3.79Å; N262-A266 PolarHBondContact O-N 3.11Å; T263-A266 PolarHBondContact O-N 3.25Å; A266-R268 VanDerWaalsContact C-N 3.27Å; A266-R268 PolarHBondContact O-N 3.36Å; A266-S269 PolarHBondContact O-N 3.07Å; A266-L270 WeakPolarHBondContact O-CG 3.38Å; A266-L270 PolarHBondContact O-N 3.31Å; A266-L368 HydrophobicContact CB-CD1 3.76Å
267K87.7Confident88.6Confident46 Ų4657.7 Ų57.720%0.230%0.301CS..Hα-helixtrans-61.6-35.3176.5-168.7169.3-177.5172.20111.7T263 A265 R271 S361 L364 E365T263-K267 WeakPolarHBondContact O-CB 3.36Å; T263-K267 PolarHBondContact O-N 3.3Å; A265-K267 PolarHBondContact O-N 3.44Å; K267-R271 WeakPolarHBondContact O-CB 3.43Å; K267-R271 PolarHBondContact O-N 3.31Å; K267-S361 PolarHBondContact NZ-OG 3.16Å; K267-L364 HydrophobicContact CG-CB 4.39Å; K267-E365 IonicContact NZ-OE1 2.78Å; K267-E365 PolarHBondContact NZ-OE1 2.98Å
268R88.8Confident88.2Confident167 Ų16758.8 Ų58.863%0.6331%0.305SS*.Hα-helixtrans-65.5-48.3174.3-174.6-177.4-179.5-146.61.5112S264 A265 A266 L270 R271 Q272S264-R268 PolarHBondContact O-N 2.92Å; S264-R268 VanDerWaalsContact O-N 3.14Å; A265-R268 WeakPolarHBondContact O-CB 3.29Å; A265-R268 PolarHBondContact O-N 3.02Å; A266-R268 VanDerWaalsContact C-N 3.27Å; A266-R268 PolarHBondContact O-N 3.36Å; R268-L270 VanDerWaalsContact C-N 3.34Å; R268-L270 PolarHBondContact O-N 3.02Å; R268-R271 WeakPolarHBondContact O-CB 3.37Å; R268-R271 PolarHBondContact O-N 2.95Å; R268-Q272 WeakPolarHBondContact O-CG 3.17Å; R268-Q272 PolarHBondContact O-N 2.92Å
269S89.6Confident87.8Confident6 Ų658.9 Ų58.94%0.04230%0.304CS..Hα-helixtrans-61.7-42.1177.2-58.60000111.4F250 H257 A265 A266 R271 Q272 K273F250-S269 WeakPolarHBondContact O-CB 3.48Å; H257-S269 PolarHBondContact CD2-OG 3.25Å; A265-S269 PolarHBondContact O-N 3.11Å; A265-S269 PolarHBondContact O-OG 2.85Å; A266-S269 PolarHBondContact O-N 3.07Å; S269-R271 VanDerWaalsContact C-N 3.33Å; S269-R271 PolarHBondContact O-N 2.87Å; S269-Q272 WeakPolarHBondContact O-CB 3.49Å; S269-Q272 PolarHBondContact O-N 3.15Å; S269-Q272 VanDerWaalsContact O-N 3.17Å; S269-K273 PolarHBondContact O-N 2.86Å
270L90.4Very high87.6Confident11 Ų1156.3 Ų56.36%0.05828%0.282CS..Hα-helixtrans-61-38.7173.9-72.5176.7000112.9A254 A266 R268 Q272 K273 Q274 L364 A367 L368 L371A254-L270 HydrophobicContact CB-CD2 3.9Å; A254-L270 HydrophobicContact CB-CG 3.88Å; A266-L270 WeakPolarHBondContact O-CG 3.38Å; A266-L270 PolarHBondContact O-N 3.31Å; R268-L270 VanDerWaalsContact C-N 3.34Å; R268-L270 PolarHBondContact O-N 3.02Å; L270-Q272 VanDerWaalsContact C-N 3.35Å; L270-K273 WeakPolarHBondContact O-CB 3.4Å; L270-K273 PolarHBondContact O-N 2.9Å; L270-Q274 PolarHBondContact O-N 3.35Å; L270-L364 HydrophobicContact CB-CD2 3.67Å; L270-A367 HydrophobicContact CD1-CB 4.18Å; L270-L368 HydrophobicContact CD1-CB 3.97Å; L270-L368 HydrophobicContact CD1-CD1 4.33Å; L270-L371 HydrophobicContact CD1-CD1 4.22Å; L270-L371 HydrophobicContact CD2-CD1 3.87Å; L270-L371 HydrophobicContact CG-CD1 4.35Å
271R87Confident87.3Confident103 Ų10357.5 Ų57.539%0.38928%0.278SS..Hα-helixtrans-64-41.4174.6-173.1-178.3-63.3166.6-1.7111.7K267 R268 S269 Q274 G275 L364K267-R271 WeakPolarHBondContact O-CB 3.43Å; K267-R271 PolarHBondContact O-N 3.31Å; R268-R271 WeakPolarHBondContact O-CB 3.37Å; R268-R271 PolarHBondContact O-N 2.95Å; S269-R271 VanDerWaalsContact C-N 3.33Å; S269-R271 PolarHBondContact O-N 2.87Å; R271-Q274 PolarHBondContact O-N 2.94Å; R271-G275 PolarHBondContact O-N 3.47Å; R271-L364 HydrophobicContact CB-CD1 3.96Å; R271-L364 HydrophobicContact CB-CD2 4.31Å; R271-L364 HydrophobicContact CG-CD1 4.22Å
272Q87.3Confident86.9Confident67 Ų6750.7 Ų50.731%0.31325%0.251SS..Hα-helixtrans-63.7-42.6176.3-69.9174-38.400111.5F250 R268 S269 L270 G275 Q276F250-Q272 HydrophobicContact CD1-CB 3.76Å; F250-Q272 HydrophobicContact CD2-CB 3.78Å; F250-Q272 HydrophobicContact CE1-CB 3.78Å; F250-Q272 HydrophobicContact CE1-CG 4.25Å; F250-Q272 HydrophobicContact CE2-CB 3.79Å; F250-Q272 HydrophobicContact CG-CB 3.78Å; F250-Q272 HydrophobicContact CZ-CB 3.79Å; F250-Q272 HydrophobicContact CZ-CG 4.37Å; R268-Q272 WeakPolarHBondContact O-CG 3.17Å; R268-Q272 PolarHBondContact O-N 2.92Å; S269-Q272 WeakPolarHBondContact O-CB 3.49Å; S269-Q272 PolarHBondContact O-N 3.15Å; S269-Q272 VanDerWaalsContact O-N 3.17Å; L270-Q272 VanDerWaalsContact C-N 3.35Å; Q272-G275 PolarHBondContact O-N 3.29Å; Q272-Q276 WeakPolarHBondContact O-CG 3.48Å; Q272-Q276 PolarHBondContact O-N 2.86Å; Q272-Q276 VanDerWaalsContact O-N 3.09Å
273K90.6Very high86.6Confident48 Ų4847.6 Ų47.621%0.20923%0.234CC..Hα-helixtrans-55.7-52.7171179.4-175.2176.8178.30111.3A247 F250 E251 S269 L270 G275 Q276 L277A247-K273 HydrophobicContact CB-CG 4.19Å; F250-K273 HydrophobicContact CB-CB 3.88Å; E251-K273 HydrophobicContact CB-CD 4.06Å; E251-K273 HydrophobicContact CG-CD 4.44Å; E251-K273 IonicContact OE2-NZ 2.9Å; E251-K273 PolarHBondContact OE2-NZ 3.08Å; S269-K273 PolarHBondContact O-N 2.86Å; L270-K273 WeakPolarHBondContact O-CB 3.4Å; L270-K273 PolarHBondContact O-N 2.9Å; K273-G275 VanDerWaalsContact C-N 3.25Å; K273-G275 PolarHBondContact O-N 3.09Å; K273-Q276 PolarHBondContact O-N 3.34Å; K273-L277 HydrophobicContact CG-CD1 4.23Å; K273-L277 HydrophobicContact CG-CG 4.48Å; K273-L277 PolarHBondContact O-N 3.35Å
274Q88Confident86.6Confident33 Ų3347.4 Ų47.415%0.15423%0.228CC..Hα-helixtrans-58.1-39.5179.8-170.9178.817.200111.7L270 R271 Q276 L277 K278 S360 E363L270-Q274 PolarHBondContact O-N 3.35Å; R271-Q274 PolarHBondContact O-N 2.94Å; Q274-Q276 PolarHBondContact O-N 3.08Å; Q274-L277 PolarHBondContact O-N 2.84Å; Q274-K278 WeakPolarHBondContact O-CG 3.2Å; Q274-K278 PolarHBondContact O-N 3.18Å; Q274-S360 PolarHBondContact OE1-OG 3Å; Q274-E363 PolarHBondContact NE2-OE2 3.34Å
275G80.4Confident86.5Confident3 Ų348 Ų483%0.03122%0.221CC..Hα-helixtrans-61.3-39.7174.200000113.5R271 Q272 K273R271-G275 PolarHBondContact O-N 3.47Å; Q272-G275 PolarHBondContact O-N 3.29Å; K273-G275 VanDerWaalsContact C-N 3.25Å; K273-G275 PolarHBondContact O-N 3.09Å
276Q84.8Confident86.1Confident15 Ų1547.5 Ų47.57%0.0722%0.216CC..Hα-helixtrans-68.5-43.1174.7-59.3-46.3-63.300111.8K246 A247 F250 Q272 K273 Q274 K278 K279 V280K246-Q276 HydrophobicContact CD-CG 4.39Å; K246-Q276 HydrophobicContact CG-CG 4.28Å; A247-Q276 HydrophobicContact CB-CB 4Å; F250-Q276 HydrophobicContact CD2-CG 4.04Å; F250-Q276 HydrophobicContact CE2-CG 3.86Å; Q272-Q276 WeakPolarHBondContact O-CG 3.48Å; Q272-Q276 PolarHBondContact O-N 2.86Å; Q272-Q276 VanDerWaalsContact O-N 3.09Å; K273-Q276 PolarHBondContact O-N 3.34Å; Q274-Q276 PolarHBondContact O-N 3.08Å; Q276-K278 VanDerWaalsContact C-N 3.34Å; Q276-K278 PolarHBondContact O-N 3.19Å; Q276-K279 WeakPolarHBondContact O-CB 3.45Å; Q276-K279 PolarHBondContact O-N 3.24Å; Q276-V280 PolarHBondContact O-N 3.35Å
277L88.6Confident86Confident69 Ų6949 Ų4936%0.36122%0.222SC..Hα-helixtrans-62-39.9-179.8-69.2178.7000112.4A247 K273 Q274 K279 V280 D281A247-L277 HydrophobicContact CB-CD2 4.06Å; A247-L277 HydrophobicContact CB-CG 4.33Å; K273-L277 HydrophobicContact CG-CD1 4.23Å; K273-L277 HydrophobicContact CG-CG 4.48Å; K273-L277 PolarHBondContact O-N 3.35Å; Q274-L277 PolarHBondContact O-N 2.84Å; L277-K279 PolarHBondContact O-N 2.89Å; L277-V280 WeakPolarHBondContact O-CA 3.41Å; L277-V280 WeakPolarHBondContact O-CB 3.46Å; L277-V280 PolarHBondContact O-N 3.16Å; L277-D281 PolarHBondContact O-N 3.37Å
278K83.5Confident85.9Confident84 Ų8451.1 Ų51.137%0.36524%0.236SC..Hα-helixtrans-58.4-33.3173.3-72.8-177.9178.6-171.60112.9Q274 Q276 I282Q274-K278 WeakPolarHBondContact O-CG 3.2Å; Q274-K278 PolarHBondContact O-N 3.18Å; Q276-K278 VanDerWaalsContact C-N 3.34Å; Q276-K278 PolarHBondContact O-N 3.19Å; K278-I282 WeakPolarHBondContact O-CG1 3.36Å; K278-I282 PolarHBondContact O-N 3.46Å
279K81.6Confident85.5Confident14 Ų1445.5 Ų45.56%0.06122%0.219CC..Hα-helixtrans-72.3-38.2174.5-62.9178.7178.9-162.20111.6L243 Q276 L277 D281 I282 L283 A345 A348 E349L243-K279 HydrophobicContact CD1-CB 3.88Å; L243-K279 HydrophobicContact CD2-CD 4.21Å; Q276-K279 WeakPolarHBondContact O-CB 3.45Å; Q276-K279 PolarHBondContact O-N 3.24Å; L277-K279 PolarHBondContact O-N 2.89Å; K279-D281 VanDerWaalsContact C-N 3.34Å; K279-I282 PolarHBondContact O-N 3.5Å; K279-L283 WeakPolarHBondContact O-CG 3.47Å; K279-L283 PolarHBondContact O-N 2.9Å; K279-L283 VanDerWaalsContact O-N 3.1Å; K279-A345 VanDerWaalsContact CE-O 3.26Å; K279-A345 WeakPolarHBondContact CE-O 3.42Å; K279-A348 HydrophobicContact CG-CB 3.87Å; K279-E349 VanDerWaalsContact NZ-CD 3.28Å; K279-E349 IonicContact NZ-OE2 2.78Å; K279-E349 PolarHBondContact NZ-OE2 3.41Å
280V87.6Confident85.2Confident6 Ų645.3 Ų45.34%0.03622%0.217CC..Hα-helixtrans-58.6-48174.5171.80000110I240 L243 Q276 L277 I282 L283 E284I240-V280 HydrophobicContact CG2-CG1 4.07Å; L243-V280 HydrophobicContact CB-CG2 3.6Å; L243-V280 HydrophobicContact CD1-CG2 4.34Å; Q276-V280 PolarHBondContact O-N 3.35Å; L277-V280 WeakPolarHBondContact O-CA 3.41Å; L277-V280 WeakPolarHBondContact O-CB 3.46Å; L277-V280 PolarHBondContact O-N 3.16Å; V280-I282 VanDerWaalsContact C-N 3.31Å; V280-I282 PolarHBondContact O-N 2.68Å; V280-L283 PolarHBondContact O-N 3.39Å; V280-L283 VanDerWaalsContact O-N 3.09Å; V280-E284 HydrophobicContact CG1-CG 4.07Å; V280-E284 WeakPolarHBondContact O-CG 3.3Å; V280-E284 PolarHBondContact O-N 3.17Å
281D84.5Confident85Confident96 Ų9647.7 Ų47.751%0.51323%0.23SC..Hα-helixtrans-55-44.9179.4-61.6-27.4000112.2L277 K279 E284 E285L277-D281 PolarHBondContact O-N 3.37Å; K279-D281 VanDerWaalsContact C-N 3.34Å; D281-E284 PolarHBondContact O-N 2.71Å; D281-E285 PolarHBondContact O-N 3.33Å
282I81Confident84.7Confident46 Ų4645.2 Ų45.224%0.23623%0.231CC..Hα-helixtrans-64.4-43178.3-65.6167000111.5K278 K279 V280 T286 A348K278-I282 WeakPolarHBondContact O-CG1 3.36Å; K278-I282 PolarHBondContact O-N 3.46Å; K279-I282 PolarHBondContact O-N 3.5Å; V280-I282 VanDerWaalsContact C-N 3.31Å; V280-I282 PolarHBondContact O-N 2.68Å; I282-T286 PolarHBondContact O-N 2.99Å; I282-T286 PolarHBondContact O-OG1 3.45Å; I282-A348 HydrophobicContact CD1-CB 3.72Å
283L84.4Confident84.5Confident0 Ų042.2 Ų42.20%022%0.217CC..Hα-helixtrans-71-35.5-179.9-68.5174000112L236 R239 I240 L243 K279 V280 T286 K287 A341L236-L283 HydrophobicContact CD2-CD2 3.9Å; R239-L283 HydrophobicContact CB-CD1 4.24Å; R239-L283 HydrophobicContact CG-CD1 3.65Å; I240-L283 HydrophobicContact CD1-CB 4.12Å; I240-L283 HydrophobicContact CG1-CB 3.67Å; I240-L283 HydrophobicContact CG1-CD1 4.31Å; L243-L283 HydrophobicContact CD1-CD1 3.43Å; L243-L283 VanDerWaalsContact CD1-CD1 3.43Å; K279-L283 WeakPolarHBondContact O-CG 3.47Å; K279-L283 PolarHBondContact O-N 2.9Å; K279-L283 VanDerWaalsContact O-N 3.1Å; V280-L283 PolarHBondContact O-N 3.39Å; V280-L283 VanDerWaalsContact O-N 3.09Å; L283-T286 PolarHBondContact O-N 3.17Å; L283-K287 WeakPolarHBondContact O-CB 3.5Å; L283-K287 PolarHBondContact O-N 2.89Å; L283-A341 HydrophobicContact CD2-CB 4.09Å
284E88.3Confident84.2Confident79 Ų7940.6 Ų40.637%0.36921%0.211SC..Hα-helixtrans-64.5-44.1174-75.9-171.6162.900111.6I240 V280 D281 T286 K287 N288I240-E284 HydrophobicContact CD1-CG 3.84Å; I240-E284 HydrophobicContact CG1-CG 4.36Å; V280-E284 HydrophobicContact CG1-CG 4.07Å; V280-E284 WeakPolarHBondContact O-CG 3.3Å; V280-E284 PolarHBondContact O-N 3.17Å; D281-E284 PolarHBondContact O-N 2.71Å; E284-T286 VanDerWaalsContact C-N 3.33Å; E284-T286 PolarHBondContact O-N 3.42Å; E284-K287 PolarHBondContact O-N 3.04Å; E284-N288 PolarHBondContact O-N 3.19Å; E284-N288 PolarHBondContact O-ND2 3.44Å
285E84.5Confident83.9Confident97 Ų9745.2 Ų45.245%0.45323%0.232SC..Hα-helixtrans-58.9-46.3173.2-174179.1-176.700111D281 K287 N288 N289D281-E285 PolarHBondContact O-N 3.33Å; E285-K287 PolarHBondContact O-N 2.8Å; E285-N288 PolarHBondContact O-N 2.9Å; E285-N289 VanDerWaalsContact O-CG 3.27Å; E285-N289 PolarHBondContact O-N 2.59Å; E285-N289 PolarHBondContact O-ND2 3Å
286T80.8Confident83.9Confident7 Ų748.9 Ų48.94%0.04325%0.249CC..Hα-helixtrans-60.5-45.4177.2-55.30000111.6L236 I282 L283 E284 N288 N289 V290 V337 A341L236-T286 HydrophobicContact CD1-CG2 3.96Å; L236-T286 HydrophobicContact CD2-CG2 4.37Å; I282-T286 PolarHBondContact O-N 2.99Å; I282-T286 PolarHBondContact O-OG1 3.45Å; L283-T286 PolarHBondContact O-N 3.17Å; E284-T286 VanDerWaalsContact C-N 3.33Å; E284-T286 PolarHBondContact O-N 3.42Å; T286-N288 VanDerWaalsContact C-N 3.32Å; T286-N288 PolarHBondContact O-N 2.85Å; T286-N289 WeakPolarHBondContact O-CB 3.4Å; T286-N289 PolarHBondContact O-N 2.91Å; T286-V290 WeakPolarHBondContact O-CG2 3.42Å; T286-V290 PolarHBondContact O-N 2.71Å; T286-V337 HydrophobicContact CG2-CG1 3.84Å; T286-A341 HydrophobicContact CG2-CB 4.1Å
287K86.3Confident83.7Confident31 Ų3148.2 Ų48.214%0.13525%0.245CC..Hα-helixtrans-60-42.3177.1-174.5-173.974.2-1720111.5K233 L236 I240 L283 E284 E285 N289 V290 L291K233-K287 HydrophobicContact CG-CG 4.32Å; L236-K287 HydrophobicContact CB-CB 4.38Å; L236-K287 HydrophobicContact CD1-CB 4.22Å; I240-K287 HydrophobicContact CD1-CD 4.04Å; L283-K287 WeakPolarHBondContact O-CB 3.5Å; L283-K287 PolarHBondContact O-N 2.89Å; E284-K287 PolarHBondContact O-N 3.04Å; E285-K287 PolarHBondContact O-N 2.8Å; K287-N289 VanDerWaalsContact C-N 3.32Å; K287-N289 PolarHBondContact O-N 2.8Å; K287-V290 PolarHBondContact O-N 2.91Å; K287-L291 WeakPolarHBondContact O-CG 3.44Å; K287-L291 PolarHBondContact O-N 2.73Å
288N85.5Confident83.1Confident91 Ų9149 Ų4949%0.48725%0.247SC..Hα-helixtrans-64.3-37.5176.9-69.5-23.9000111.9E284 E285 T286 L291 A292E284-N288 PolarHBondContact O-N 3.19Å; E284-N288 PolarHBondContact O-ND2 3.44Å; E285-N288 PolarHBondContact O-N 2.9Å; T286-N288 VanDerWaalsContact C-N 3.32Å; T286-N288 PolarHBondContact O-N 2.85Å; N288-L291 WeakPolarHBondContact O-CB 3.26Å; N288-L291 PolarHBondContact O-N 3.49Å; N288-A292 PolarHBondContact O-N 3.44Å
289N81.4Confident82.8Confident50 Ų5048.9 Ų48.927%0.26726%0.257SS..Hα-helixtrans-66.9-40174.1-65.8-28.2000112.1E285 T286 K287 L291 A292 L293 F317E285-N289 VanDerWaalsContact O-CG 3.27Å; E285-N289 PolarHBondContact O-N 2.59Å; E285-N289 PolarHBondContact O-ND2 3Å; T286-N289 WeakPolarHBondContact O-CB 3.4Å; T286-N289 PolarHBondContact O-N 2.91Å; K287-N289 VanDerWaalsContact C-N 3.32Å; K287-N289 PolarHBondContact O-N 2.8Å; N289-L291 VanDerWaalsContact C-N 3.32Å; N289-L291 PolarHBondContact O-N 2.94Å; N289-A292 PolarHBondContact O-N 3.45Å; N289-L293 WeakPolarHBondContact O-CB 3.49Å; N289-L293 PolarHBondContact O-N 3.4Å; N289-F317 HydrophobicContact CB-CD1 3.91Å; N289-F317 HydrophobicContact CB-CE1 3.24Å; N289-F317 HydrophobicContact CB-CZ 3.73Å
290V83.7Confident82.5Confident1 Ų149 Ų491%0.00626%0.26CS..Hα-helixtrans-60.9-40.5173.11710000111.3L229 L232 K233 L236 T286 K287 L293 L294 V337L229-V290 HydrophobicContact CB-CG1 4.3Å; L229-V290 HydrophobicContact CD2-CG1 4.16Å; L229-V290 WeakPolarHBondContact O-CG1 3.49Å; L232-V290 HydrophobicContact CD2-CG2 3.79Å; L232-V290 HydrophobicContact CG-CG2 4.26Å; K233-V290 HydrophobicContact CB-CG1 4.22Å; L236-V290 HydrophobicContact CD1-CG2 4Å; T286-V290 WeakPolarHBondContact O-CG2 3.42Å; T286-V290 PolarHBondContact O-N 2.71Å; K287-V290 PolarHBondContact O-N 2.91Å; V290-L293 PolarHBondContact O-N 2.77Å; V290-L294 WeakPolarHBondContact O-CB 3.43Å; V290-L294 PolarHBondContact O-N 2.97Å; V290-V337 HydrophobicContact CG2-CG1 4.18Å
291L84.5Confident81.5Confident62 Ų6253.4 Ų53.433%0.32529%0.291SS..Hα-helixtrans-62.7-44.1174.6-75.9170.6000112.5K233 K287 N288 N289 L293 L294 H295K233-L291 HydrophobicContact CD-CD2 3.7Å; K233-L291 HydrophobicContact CD-CG 4.44Å; K287-L291 WeakPolarHBondContact O-CG 3.44Å; K287-L291 PolarHBondContact O-N 2.73Å; N288-L291 WeakPolarHBondContact O-CB 3.26Å; N288-L291 PolarHBondContact O-N 3.49Å; N289-L291 VanDerWaalsContact C-N 3.32Å; N289-L291 PolarHBondContact O-N 2.94Å; L291-L293 VanDerWaalsContact C-N 3.29Å; L291-L293 PolarHBondContact O-N 2.86Å; L291-L294 PolarHBondContact O-N 2.85Å; L291-H295 PolarHBondContact O-N 2.75Å; L291-H295 VanDerWaalsContact O-N 3.15Å
292A82.6Confident80.6Confident51 Ų5151.9 Ų51.942%0.42129%0.286SS..Hα-helixtrans-61.8-40.9176.300000111.5N288 N289 H295 Q296N288-A292 PolarHBondContact O-N 3.44Å; N289-A292 PolarHBondContact O-N 3.45Å; A292-H295 PolarHBondContact O-N 3.45Å; A292-Q296 WeakPolarHBondContact O-CG 3.46Å; A292-Q296 PolarHBondContact O-N 3.17Å; A292-Q296 VanDerWaalsContact O-N 3.16Å
293L83Confident80Confident3 Ų353.5 Ų53.52%0.01630%0.295CS..Hα-helixtrans-66.9-41.3177.1175.159.4000112.1L229 N289 V290 L291 H295 Q296 V297 L310 S313L229-L293 HydrophobicContact CD1-CD2 4.12Å; L229-L293 HydrophobicContact CD1-CG 3.77Å; L229-L293 HydrophobicContact CD2-CD2 3.52Å; L229-L293 HydrophobicContact CD2-CG 4.08Å; L229-L293 HydrophobicContact CG-CD2 4.48Å; N289-L293 WeakPolarHBondContact O-CB 3.49Å; N289-L293 PolarHBondContact O-N 3.4Å; V290-L293 PolarHBondContact O-N 2.77Å; L291-L293 VanDerWaalsContact C-N 3.29Å; L291-L293 PolarHBondContact O-N 2.86Å; L293-H295 VanDerWaalsContact C-N 3.31Å; L293-H295 PolarHBondContact O-N 2.89Å; L293-Q296 WeakPolarHBondContact O-CB 3.34Å; L293-Q296 PolarHBondContact O-N 3.26Å; L293-Q296 VanDerWaalsContact O-N 3.08Å; L293-V297 HydrophobicContact CD1-CG2 4.08Å; L293-V297 HydrophobicContact CG-CG2 4.46Å; L293-V297 WeakPolarHBondContact O-CG2 3.22Å; L293-V297 PolarHBondContact O-N 3.33Å; L293-L310 HydrophobicContact CD1-CD2 3.77Å; L293-L310 HydrophobicContact CD1-CG 4.32Å; L293-L310 HydrophobicContact CD2-CD2 3.79Å; L293-L310 HydrophobicContact CG-CD2 4.08Å; L293-S313 WeakPolarHBondContact CD1-OG 3.46Å
294L83.1Confident79.5Confident14 Ų1460.7 Ų60.77%0.07333%0.326CS..Hα-helixtrans-55.3-48.1174.8-18064.1000110.9A226 L229 V230 V290 L291 Q296 V297 E298A226-L294 HydrophobicContact CB-CD1 3.66Å; L229-L294 HydrophobicContact CB-CD1 4.17Å; L229-L294 HydrophobicContact CD1-CB 4.42Å; L229-L294 HydrophobicContact CD1-CD1 4.44Å; V230-L294 HydrophobicContact CG2-CD1 4.11Å; V230-L294 HydrophobicContact CG2-CD2 3.75Å; V290-L294 WeakPolarHBondContact O-CB 3.43Å; V290-L294 PolarHBondContact O-N 2.97Å; L291-L294 PolarHBondContact O-N 2.85Å; L294-Q296 VanDerWaalsContact C-N 3.29Å; L294-Q296 PolarHBondContact O-N 2.79Å; L294-V297 PolarHBondContact O-N 3.44Å; L294-E298 HydrophobicContact CD1-CG 4.32Å; L294-E298 WeakPolarHBondContact O-CB 3.37Å; L294-E298 WeakPolarHBondContact O-CG 3.35Å; L294-E298 PolarHBondContact O-N 2.83Å
295H81.5Confident78.8Confident131 Ų13161.4 Ų61.461%0.60633%0.331SS*.Hα-helixtrans-61.8-35177.1-176.2-79.5000112.8L291 A292 L293 S299L291-H295 PolarHBondContact O-N 2.75Å; L291-H295 VanDerWaalsContact O-N 3.15Å; A292-H295 PolarHBondContact O-N 3.45Å; L293-H295 VanDerWaalsContact C-N 3.31Å; L293-H295 PolarHBondContact O-N 2.89Å; H295-S299 WeakPolarHBondContact O-CB 3.46Å; H295-S299 PolarHBondContact O-N 3.04Å; H295-S299 VanDerWaalsContact O-N 3.15Å; H295-S299 PolarHBondContact O-OG 3.22Å
296Q80.8Confident78.2Confident80 Ų8056.8 Ų56.837%0.37431%0.309SS..Hα-helixtrans-69.5-40.9174.7-69.5179.310.700112.4A292 L293 L294 S299 A300 A309 S313A292-Q296 WeakPolarHBondContact O-CG 3.46Å; A292-Q296 PolarHBondContact O-N 3.17Å; A292-Q296 VanDerWaalsContact O-N 3.16Å; L293-Q296 WeakPolarHBondContact O-CB 3.34Å; L293-Q296 PolarHBondContact O-N 3.26Å; L293-Q296 VanDerWaalsContact O-N 3.08Å; L294-Q296 VanDerWaalsContact C-N 3.29Å; L294-Q296 PolarHBondContact O-N 2.79Å; Q296-S299 WeakPolarHBondContact CA-OG 3.41Å; Q296-S299 PolarHBondContact O-N 3.43Å; Q296-S299 PolarHBondContact O-OG 3.26Å; Q296-S299 VanDerWaalsContact O-OG 3.05Å; Q296-A300 WeakPolarHBondContact O-CB 3.35Å; Q296-A300 PolarHBondContact O-N 3.05Å; Q296-A309 HydrophobicContact CB-CB 3.94Å; Q296-S313 PolarHBondContact OE1-OG 3.03Å
297V81.1Confident77.8Confident0 Ų060.3 Ų60.30%032%0.322CS..Hα-helixtrans-66.7-41.6177.5171.40000111.1S222 A226 L229 L293 L294 S299 A300 V306 L310S222-V297 WeakPolarHBondContact O-CG1 3.34Å; S222-V297 WeakPolarHBondContact OG-CG1 3.48Å; S222-V297 PolarHBondContact OG-O 3.04Å; A226-V297 HydrophobicContact CB-CG1 3.94Å; L229-V297 HydrophobicContact CD1-CB 4.43Å; L229-V297 HydrophobicContact CD1-CG2 3.95Å; L293-V297 HydrophobicContact CD1-CG2 4.08Å; L293-V297 HydrophobicContact CG-CG2 4.46Å; L293-V297 WeakPolarHBondContact O-CG2 3.22Å; L293-V297 PolarHBondContact O-N 3.33Å; L294-V297 PolarHBondContact O-N 3.44Å; V297-S299 VanDerWaalsContact C-N 3.31Å; V297-S299 PolarHBondContact O-N 3.42Å; V297-A300 WeakPolarHBondContact O-CB 3.5Å; V297-A300 PolarHBondContact O-N 2.9Å; V297-V306 HydrophobicContact CG1-CG1 4.14Å; V297-V306 HydrophobicContact CG2-CG1 4.4Å; V297-L310 HydrophobicContact CG2-CD2 4.19Å; V297-L310 HydrophobicContact CG2-CG 4.23Å
298E76.3Confident77.1Confident85 Ų8561.8 Ų61.840%0.39733%0.331SS..Hα-helixtrans-66.5-32177.6-72.5179.3159.800112.6G157 L294G157-E298 PolarHBondContact N-OE1 3.46Å; L294-E298 HydrophobicContact CD1-CG 4.32Å; L294-E298 WeakPolarHBondContact O-CB 3.37Å; L294-E298 WeakPolarHBondContact O-CG 3.35Å; L294-E298 PolarHBondContact O-N 2.83Å
299S75.7Confident76.6Confident83 Ų8358 Ų5858%0.5831%0.313SS*.Hα-helixtrans-83.4-12.4175.156.50000113.8H295 Q296 V297 S301H295-S299 WeakPolarHBondContact O-CB 3.46Å; H295-S299 PolarHBondContact O-N 3.04Å; H295-S299 VanDerWaalsContact O-N 3.15Å; H295-S299 PolarHBondContact O-OG 3.22Å; Q296-S299 WeakPolarHBondContact CA-OG 3.41Å; Q296-S299 PolarHBondContact O-N 3.43Å; Q296-S299 PolarHBondContact O-OG 3.26Å; Q296-S299 VanDerWaalsContact O-OG 3.05Å; V297-S299 VanDerWaalsContact C-N 3.31Å; V297-S299 PolarHBondContact O-N 3.42Å; S299-S301 PolarHBondContact O-N 3.47Å
300A76.3Confident76.1Confident15 Ų1555.7 Ų55.712%0.12430%0.3CS..  trans-72.4113.917800000111Q296 V297 M305 V306Q296-A300 WeakPolarHBondContact O-CB 3.35Å; Q296-A300 PolarHBondContact O-N 3.05Å; V297-A300 WeakPolarHBondContact O-CB 3.5Å; V297-A300 PolarHBondContact O-N 2.9Å; A300-M305 HydrophobicContact CB-CB 3.68Å; A300-V306 HydrophobicContact CB-CB 4.4Å; A300-V306 HydrophobicContact CB-CG2 3.62Å
301S65.7Low75.5Confident99 Ų9956.5 Ų56.569%0.69231%0.306SS*.  trans-82.1-10.5-179.361.30000114.6S299 M305S299-S301 PolarHBondContact O-N 3.47Å; S301-M305 PolarHBondContact OG-SD 3.27Å; S301-M305 VanDerWaalsContact OG-SD 3.36Å
302T65.9Low74.8Confident65 Ų6558.7 Ų58.740%0.39932%0.318SS..SBendtrans-137149.8-178.5640000110.6K304 M305 V306T302-K304 PolarHBondContact O-N 3.24Å; T302-M305 WeakPolarHBondContact O-CA 3.44Å; T302-M305 WeakPolarHBondContact O-CB 3.22Å; T302-M305 PolarHBondContact O-N 3.32Å; T302-M305 VanDerWaalsContact OG1-CG 3.26Å; T302-M305 WeakPolarHBondContact OG1-CG 3.49Å; T302-M305 PolarHBondContact OG1-N 3.46Å; T302-V306 PolarHBondContact O-N 3.3Å
303N69.1Low74Confident80 Ų8056.9 Ų56.943%0.42830%0.302SS..Hα-helixtrans-54-36.9175.3-70.626.3000112.4E221 M305 V306 Y307E221-N303 HydrophobicContact CB-CB 4.47Å; E221-N303 VanDerWaalsContact OE2-CB 3.29Å; E221-N303 WeakPolarHBondContact OE2-CB 3.49Å; E221-N303 VanDerWaalsContact OE2-CG 3.27Å; E221-N303 PolarHBondContact OE2-ND2 3.24Å; N303-M305 VanDerWaalsContact C-N 3.34Å; N303-M305 PolarHBondContact O-N 3.37Å; N303-V306 WeakPolarHBondContact O-CB 3.42Å; N303-V306 PolarHBondContact O-N 2.82Å; N303-Y307 WeakPolarHBondContact O-CB 3.11Å; N303-Y307 PolarHBondContact O-N 3.38Å
304K73.6Confident73Confident151 Ų15157.2 Ų57.266%0.65730%0.304SS*.Hα-helixtrans-60.4-43.6173.8-175.8-178.8175.5-176.20111.7T302 V306 Y307 D308T302-K304 PolarHBondContact O-N 3.24Å; K304-V306 VanDerWaalsContact C-N 3.32Å; K304-V306 PolarHBondContact O-N 2.82Å; K304-Y307 WeakPolarHBondContact O-CB 3.39Å; K304-Y307 PolarHBondContact O-N 2.92Å; K304-D308 WeakPolarHBondContact O-CB 3.48Å; K304-D308 PolarHBondContact O-N 2.95Å
305M74.5Confident71.9Confident93 Ų9362.6 Ų62.646%0.45833%0.328SS..Hα-helixtrans-66.3-34.5176-72.317117900112.3A300 S301 T302 N303 D308 A309A300-M305 HydrophobicContact CB-CB 3.68Å; S301-M305 PolarHBondContact OG-SD 3.27Å; S301-M305 VanDerWaalsContact OG-SD 3.36Å; T302-M305 WeakPolarHBondContact O-CA 3.44Å; T302-M305 WeakPolarHBondContact O-CB 3.22Å; T302-M305 PolarHBondContact O-N 3.32Å; T302-M305 VanDerWaalsContact OG1-CG 3.26Å; T302-M305 WeakPolarHBondContact OG1-CG 3.49Å; T302-M305 PolarHBondContact OG1-N 3.46Å; N303-M305 VanDerWaalsContact C-N 3.34Å; N303-M305 PolarHBondContact O-N 3.37Å; M305-D308 PolarHBondContact O-N 3.32Å; M305-A309 WeakPolarHBondContact O-CB 3.4Å; M305-A309 PolarHBondContact O-N 3.26Å
306V71.3Confident71Confident0 Ų060 Ų600%033%0.329CS..Hα-helixtrans-62.7-48.5173.4176.40000109.7V297 A300 T302 N303 K304 A309 L310V297-V306 HydrophobicContact CG1-CG1 4.14Å; V297-V306 HydrophobicContact CG2-CG1 4.4Å; A300-V306 HydrophobicContact CB-CB 4.4Å; A300-V306 HydrophobicContact CB-CG2 3.62Å; T302-V306 PolarHBondContact O-N 3.3Å; N303-V306 WeakPolarHBondContact O-CB 3.42Å; N303-V306 PolarHBondContact O-N 2.82Å; K304-V306 VanDerWaalsContact C-N 3.32Å; K304-V306 PolarHBondContact O-N 2.82Å; V306-A309 PolarHBondContact O-N 3.14Å; V306-L310 HydrophobicContact CG1-CD1 3.8Å; V306-L310 HydrophobicContact CG1-CG 4.5Å; V306-L310 WeakPolarHBondContact O-CB 3.25Å; V306-L310 VanDerWaalsContact O-CG 3.32Å; V306-L310 WeakPolarHBondContact O-CG 3.26Å; V306-L310 PolarHBondContact O-N 2.72Å
307Y71.4Confident70.2Confident81 Ų8156.6 Ų56.632%0.31831%0.313SS..Hα-helixtrans-58.6-49.3175.9-178.2-87.4000111.8N303 K304 A309 L310 S311 V327 A330N303-Y307 WeakPolarHBondContact O-CB 3.11Å; N303-Y307 PolarHBondContact O-N 3.38Å; K304-Y307 WeakPolarHBondContact O-CB 3.39Å; K304-Y307 PolarHBondContact O-N 2.92Å; Y307-A309 VanDerWaalsContact C-N 3.32Å; Y307-A309 PolarHBondContact O-N 3.5Å; Y307-L310 PolarHBondContact O-N 3.13Å; Y307-S311 VanDerWaalsContact O-CB 3.26Å; Y307-S311 WeakPolarHBondContact O-CB 3.4Å; Y307-S311 PolarHBondContact O-N 3.11Å; Y307-V327 VanDerWaalsContact OH-CG1 3.24Å; Y307-V327 WeakPolarHBondContact OH-CG1 3.33Å; Y307-V327 PolarHBondContact OH-O 3.46Å; Y307-A330 HydrophobicContact CD2-CB 3.68Å; Y307-A330 HydrophobicContact CE2-CB 4.09Å; Y307-A330 HydrophobicContact CG-CB 4.47Å
308D72.5Confident69.1Low62 Ų6259.8 Ų59.833%0.33233%0.334SS..Hα-helixtrans-62.6-38.9178.5-68.3-18.4000110.6K304 M305 N312K304-D308 WeakPolarHBondContact O-CB 3.48Å; K304-D308 PolarHBondContact O-N 2.95Å; M305-D308 PolarHBondContact O-N 3.32Å; D308-N312 WeakPolarHBondContact O-CB 3.45Å; D308-N312 PolarHBondContact O-N 3.21Å; D308-N312 PolarHBondContact O-ND2 2.99Å
309A74.8Confident68.1Low12 Ų1258 Ų5810%0.09933%0.334CS..Hα-helixtrans-64.7-45176.100000112.2Q296 M305 V306 Y307 S313Q296-A309 HydrophobicContact CB-CB 3.94Å; M305-A309 WeakPolarHBondContact O-CB 3.4Å; M305-A309 PolarHBondContact O-N 3.26Å; V306-A309 PolarHBondContact O-N 3.14Å; Y307-A309 VanDerWaalsContact C-N 3.32Å; Y307-A309 PolarHBondContact O-N 3.5Å; A309-S313 VanDerWaalsContact O-CB 3.22Å; A309-S313 WeakPolarHBondContact O-CB 3.35Å; A309-S313 PolarHBondContact O-N 2.86Å; A309-S313 PolarHBondContact O-OG 3.09Å
310L71.4Confident66.9Low1 Ų154.4 Ų54.41%0.00531%0.308CS..Hα-helixtrans-65-47.3176.5-71.1166000110.9L293 V297 V306 Y307 S313 Y314 A330L293-L310 HydrophobicContact CD1-CD2 3.77Å; L293-L310 HydrophobicContact CD1-CG 4.32Å; L293-L310 HydrophobicContact CD2-CD2 3.79Å; L293-L310 HydrophobicContact CG-CD2 4.08Å; V297-L310 HydrophobicContact CG2-CD2 4.19Å; V297-L310 HydrophobicContact CG2-CG 4.23Å; V306-L310 HydrophobicContact CG1-CD1 3.8Å; V306-L310 HydrophobicContact CG1-CG 4.5Å; V306-L310 WeakPolarHBondContact O-CB 3.25Å; V306-L310 VanDerWaalsContact O-CG 3.32Å; V306-L310 WeakPolarHBondContact O-CG 3.26Å; V306-L310 PolarHBondContact O-N 2.72Å; Y307-L310 PolarHBondContact O-N 3.13Å; L310-S313 PolarHBondContact O-N 3.26Å; L310-Y314 PolarHBondContact O-N 2.89Å; L310-A330 HydrophobicContact CB-CB 3.77Å; L310-A330 HydrophobicContact CD1-CB 3.5Å; L310-A330 HydrophobicContact CG-CB 4.26Å
311S69.7Low65.9Low18 Ų1862.6 Ų62.613%0.12634%0.341CS..Hα-helixtrans-67.1-41.3-179.5-176.80000113.2Y307 S313 Y314 H315Y307-S311 VanDerWaalsContact O-CB 3.26Å; Y307-S311 WeakPolarHBondContact O-CB 3.4Å; Y307-S311 PolarHBondContact O-N 3.11Å; S311-S313 VanDerWaalsContact C-N 3.31Å; S311-Y314 WeakPolarHBondContact O-CB 3.48Å; S311-Y314 PolarHBondContact O-N 3.08Å; S311-H315 PolarHBondContact O-CD2 3.25Å
312N69.8Low65.4Low109 Ų10961.8 Ų61.858%0.58335%0.348SS*.Hα-helixtrans-67.7-37.1177-71.8-30000110.7D308 H315 A316D308-N312 WeakPolarHBondContact O-CB 3.45Å; D308-N312 PolarHBondContact O-N 3.21Å; D308-N312 PolarHBondContact O-ND2 2.99Å; N312-H315 PolarHBondContact O-N 2.69Å; N312-A316 PolarHBondContact O-N 2.76Å
313S66.1Low64.9Low12 Ų1262 Ų628%0.08434%0.343CS..Hα-helixtrans-66.5-37.8177.1-63.50000112.2L293 Q296 A309 L310 S311 H315 A316 F317L293-S313 WeakPolarHBondContact CD1-OG 3.46Å; Q296-S313 PolarHBondContact OE1-OG 3.03Å; A309-S313 VanDerWaalsContact O-CB 3.22Å; A309-S313 WeakPolarHBondContact O-CB 3.35Å; A309-S313 PolarHBondContact O-N 2.86Å; A309-S313 PolarHBondContact O-OG 3.09Å; L310-S313 PolarHBondContact O-N 3.26Å; S311-S313 VanDerWaalsContact C-N 3.31Å; S313-H315 VanDerWaalsContact C-N 3.26Å; S313-H315 PolarHBondContact O-N 3.24Å; S313-A316 WeakPolarHBondContact O-CA 3.27Å; S313-A316 WeakPolarHBondContact O-CB 3.35Å; S313-A316 PolarHBondContact O-N 3.4Å; S313-F317 WeakPolarHBondContact O-CD2 3.41Å; S313-F317 PolarHBondContact O-N 2.86Å
314Y62.2Low63.9Low10 Ų1066.8 Ų66.84%0.03937%0.368CS..Hα-helixtrans-48.5-48.3173.7175.2-102.8000112.1L310 S311 A316 F317 L320 K323 A325 V333 Q336L310-Y314 PolarHBondContact O-N 2.89Å; S311-Y314 WeakPolarHBondContact O-CB 3.48Å; S311-Y314 PolarHBondContact O-N 3.08Å; Y314-A316 PolarHBondContact O-N 2.9Å; Y314-F317 PolarHBondContact O-N 3.31Å; Y314-L320 HydrophobicContact CD2-CD1 3.7Å; Y314-L320 HydrophobicContact CE2-CB 4.16Å; Y314-L320 HydrophobicContact CE2-CD1 3.64Å; Y314-L320 HydrophobicContact CE2-CD2 4.08Å; Y314-L320 HydrophobicContact CE2-CG 4.17Å; Y314-K323 PolarHBondContact OH-O 3.48Å; Y314-K323 VanDerWaalsContact OH-O 3.04Å; Y314-A325 HydrophobicContact CE1-CB 4.36Å; Y314-A325 HydrophobicContact CE2-CB 4.41Å; Y314-A325 WeakPolarHBondContact OH-CB 3.39Å; Y314-V333 HydrophobicContact CD2-CG1 4.19Å; Y314-V333 HydrophobicContact CD2-CG2 4.34Å; Y314-V333 HydrophobicContact CG-CG2 4.42Å; Y314-Q336 HydrophobicContact CE2-CB 4.35Å
315H61.3Low62.7Low128 Ų12861 Ų6159%0.59335%0.349SS*.Hα-helixtrans-72.4-16179.9-65.9-58000114.1S311 N312 S313S311-H315 PolarHBondContact O-CD2 3.25Å; N312-H315 PolarHBondContact O-N 2.69Å; S313-H315 VanDerWaalsContact C-N 3.26Å; S313-H315 PolarHBondContact O-N 3.24Å
316A60.8Low61.5Low75 Ų7562.4 Ų62.462%0.6236%0.363SS*.Hα-helixtrans-88.1-19.117800000113.2N312 S313 Y314 P318N312-A316 PolarHBondContact O-N 2.76Å; S313-A316 WeakPolarHBondContact O-CA 3.27Å; S313-A316 WeakPolarHBondContact O-CB 3.35Å; S313-A316 PolarHBondContact O-N 3.4Å; Y314-A316 PolarHBondContact O-N 2.9Å; A316-P318 WeakPolarHBondContact O-CD 3.5Å
317F64.6Low60.4Low9 Ų964.6 Ų64.64%0.03938%0.376CS..  trans-67.2115.5179.7-83.4-82.3000111.5N289 S313 Y314 A319 L320 K321 V337N289-F317 HydrophobicContact CB-CD1 3.91Å; N289-F317 HydrophobicContact CB-CE1 3.24Å; N289-F317 HydrophobicContact CB-CZ 3.73Å; S313-F317 WeakPolarHBondContact O-CD2 3.41Å; S313-F317 PolarHBondContact O-N 2.86Å; Y314-F317 PolarHBondContact O-N 3.31Å; F317-A319 PolarHBondContact O-N 3.2Å; F317-L320 HydrophobicContact CB-CB 4.04Å; F317-L320 HydrophobicContact CB-CD1 3.8Å; F317-L320 HydrophobicContact CB-CG 4.13Å; F317-L320 HydrophobicContact CD2-CD1 4.3Å; F317-L320 HydrophobicContact CG-CD1 4.16Å; F317-L320 PolarHBondContact O-N 3.45Å; F317-K321 PolarHBondContact O-N 3.3Å; F317-V337 HydrophobicContact CD1-CG1 4.44Å; F317-V337 HydrophobicContact CD1-CG2 4.14Å; F317-V337 HydrophobicContact CD2-CG2 3.73Å; F317-V337 HydrophobicContact CE1-CG1 3.79Å; F317-V337 HydrophobicContact CE1-CG2 3.84Å; F317-V337 HydrophobicContact CE2-CG2 3.45Å; F317-V337 VanDerWaalsContact CE2-CG2 3.45Å; F317-V337 HydrophobicContact CG-CG2 4.1Å; F317-V337 HydrophobicContact CZ-CB 4.46Å; F317-V337 HydrophobicContact CZ-CG1 4.01Å; F317-V337 HydrophobicContact CZ-CG2 3.52Å
318P58.3Low59.3Low68 Ų6866.3 Ų66.344%0.44239%0.391SS..G310 helixtrans-60.1-33.8180-25.637.2000113A316 L320 K321A316-P318 WeakPolarHBondContact O-CD 3.5Å; P318-L320 PolarHBondContact O-N 3.45Å; P318-K321 VanDerWaalsContact O-CB 3.31Å; P318-K321 WeakPolarHBondContact O-CB 3.12Å; P318-K321 PolarHBondContact O-N 3.12Å
319A54.2Low58.4Low47 Ų4770.7 Ų70.739%0.38841%0.407SS..G310 helixtrans-69.5-16.3178.300000114.2F317 A340F317-A319 PolarHBondContact O-N 3.2Å; A319-A340 HydrophobicContact CB-CB 3.83Å
320L52Low57.4Low7 Ų770.4 Ų70.44%0.03740%0.404CS..G310 helixtrans-104.7-4.1179.7-70.2168.3000112.7Y314 F317 P318 G322 K323 Q336 V337 A340Y314-L320 HydrophobicContact CD2-CD1 3.7Å; Y314-L320 HydrophobicContact CE2-CB 4.16Å; Y314-L320 HydrophobicContact CE2-CD1 3.64Å; Y314-L320 HydrophobicContact CE2-CD2 4.08Å; Y314-L320 HydrophobicContact CE2-CG 4.17Å; F317-L320 HydrophobicContact CB-CB 4.04Å; F317-L320 HydrophobicContact CB-CD1 3.8Å; F317-L320 HydrophobicContact CB-CG 4.13Å; F317-L320 HydrophobicContact CD2-CD1 4.3Å; F317-L320 HydrophobicContact CG-CD1 4.16Å; F317-L320 PolarHBondContact O-N 3.45Å; P318-L320 PolarHBondContact O-N 3.45Å; L320-G322 PolarHBondContact O-N 3.26Å; L320-K323 HydrophobicContact CD2-CD 4Å; L320-K323 PolarHBondContact O-N 2.92Å; L320-K323 VanDerWaalsContact O-N 3.1Å; L320-Q336 HydrophobicContact CD2-CB 4.32Å; L320-V337 HydrophobicContact CD1-CG2 3.97Å; L320-A340 HydrophobicContact CD1-CB 4.41Å; L320-A340 HydrophobicContact CD2-CB 3.51Å; L320-A340 HydrophobicContact CG-CB 3.69Å
321K55.5Low56.8Low188 Ų18872.7 Ų72.782%0.81741%0.413SS*.THydrogen-bonded Turntrans-64.6102.6-177.7-160.7174.3-174.9176.80110.5F317 P318F317-K321 PolarHBondContact O-N 3.3Å; P318-K321 VanDerWaalsContact O-CB 3.31Å; P318-K321 WeakPolarHBondContact O-CB 3.12Å; P318-K321 PolarHBondContact O-N 3.12Å
322G55.1Low56.5Low81 Ų8174.9 Ų74.984%0.83542%0.424SS*.THydrogen-bonded Turntrans114.30.3-18000000115.4L320L320-G322 PolarHBondContact O-N 3.26Å
323K54Low56.1Low71 Ų7169.9 Ų69.931%0.30940%0.397SS..  trans-91.4116.1169.9-65.3-174.6-174.9177.60110.3Y314 L320 A325 E343Y314-K323 PolarHBondContact OH-O 3.48Å; Y314-K323 VanDerWaalsContact OH-O 3.04Å; L320-K323 HydrophobicContact CD2-CD 4Å; L320-K323 PolarHBondContact O-N 2.92Å; L320-K323 VanDerWaalsContact O-N 3.1Å; K323-A325 VanDerWaalsContact C-N 3.32Å; K323-A325 PolarHBondContact O-N 3.44Å; K323-E343 WeakPolarHBondContact CE-OE2 3.34Å; K323-E343 IonicContact NZ-OE1 2.73Å; K323-E343 PolarHBondContact NZ-OE1 3.37Å; K323-E343 IonicContact NZ-OE2 2.96Å; K323-E343 PolarHBondContact NZ-OE2 2.98Å
324D48.6Very low56Low179 Ų17969.8 Ų69.896%0.95740%0.396SS*.  trans-71.685.3170.4-80.4-23000109.3
325A47.6Very low56.4Low30 Ų3074.3 Ų74.325%0.24842%0.42CS..  trans-103.6115.9166.200000108.6Y314 K323 V327Y314-A325 HydrophobicContact CE1-CB 4.36Å; Y314-A325 HydrophobicContact CE2-CB 4.41Å; Y314-A325 WeakPolarHBondContact OH-CB 3.39Å; K323-A325 VanDerWaalsContact C-N 3.32Å; K323-A325 PolarHBondContact O-N 3.44Å; A325-V327 PolarHBondContact O-N 2.92Å
326T49.3Very low56.6Low122 Ų12270 Ų7075%0.74840%0.4SS*.  trans-62.6123.2165.738.70000108.1D328T326-D328 PolarHBondContact O-N 2.96Å
327V48.8Very low56.9Low47 Ų4766.6 Ų66.629%0.28537%0.372SS..  trans-6979.1-177.9-170.30000109.6Y307 A325Y307-V327 VanDerWaalsContact OH-CG1 3.24Å; Y307-V327 WeakPolarHBondContact OH-CG1 3.33Å; Y307-V327 PolarHBondContact OH-O 3.46Å; A325-V327 PolarHBondContact O-N 2.92Å
328D48.1Very low57.1Low117 Ų11769.7 Ų69.763%0.62639%0.387SS*.  trans-106.5127.9163.6-84.3-39000107.6T326 D332T326-D328 PolarHBondContact O-N 2.96Å; D328-D332 VanDerWaalsContact O-CG 3.23Å
329K53.9Low57.8Low154 Ų15471.2 Ų71.267%0.6739%0.388SS*.  trans52112.9-173.4-62.5-176.3-176.8179.90115Y331 D332K329-Y331 PolarHBondContact O-N 3.49Å; K329-D332 VanDerWaalsContact O-CB 3.27Å; K329-D332 WeakPolarHBondContact O-CB 3.45Å; K329-D332 PolarHBondContact O-N 3.1Å
330A53.6Low58.4Low5 Ų569.1 Ų69.14%0.04137%0.371CS..THydrogen-bonded Turntrans-57.6-13.8176.100000115Y307 L310 V333Y307-A330 HydrophobicContact CD2-CB 3.68Å; Y307-A330 HydrophobicContact CE2-CB 4.09Å; Y307-A330 HydrophobicContact CG-CB 4.47Å; L310-A330 HydrophobicContact CB-CB 3.77Å; L310-A330 HydrophobicContact CD1-CB 3.5Å; L310-A330 HydrophobicContact CG-CB 4.26Å; A330-V333 WeakPolarHBondContact O-CB 3.48Å; A330-V333 PolarHBondContact O-N 3.39Å
331Y60.3Low59.1Low50 Ų5068.9 Ų68.920%0.19637%0.369CS..THydrogen-bonded Turntrans-71.5-32.3169.7-67.2-69.4000113.2E221 I224 K228 K329 V333 I334 D335E221-Y331 WeakPolarHBondContact CG-OH 3.28Å; I224-Y331 HydrophobicContact CG2-CE1 4.01Å; I224-Y331 WeakPolarHBondContact CG2-OH 3.46Å; K228-Y331 HydrophobicContact CD-CD1 3.65Å; K228-Y331 HydrophobicContact CD-CE1 3.81Å; K329-Y331 PolarHBondContact O-N 3.49Å; Y331-V333 PolarHBondContact O-N 2.75Å; Y331-V333 VanDerWaalsContact O-N 3.13Å; Y331-I334 WeakPolarHBondContact O-CB 3.11Å; Y331-I334 PolarHBondContact O-N 3.39Å; Y331-D335 PolarHBondContact O-N 3Å
332D63.3Low59.8Low63 Ų6362.6 Ų62.634%0.33735%0.345SS..Hα-helixtrans-61.8-23.1175-62.215.9000110.4D328 K329 Q336D328-D332 VanDerWaalsContact O-CG 3.23Å; K329-D332 VanDerWaalsContact O-CB 3.27Å; K329-D332 WeakPolarHBondContact O-CB 3.45Å; K329-D332 PolarHBondContact O-N 3.1Å; D332-Q336 WeakPolarHBondContact O-CB 3.36Å; D332-Q336 WeakPolarHBondContact O-CG 3.31Å; D332-Q336 PolarHBondContact O-N 2.78Å; D332-Q336 PolarHBondContact O-NE2 3.15Å
333V59.9Low60.5Low5 Ų561.4 Ų61.43%0.0332%0.318CS..Hα-helixtrans-64.7-39.7172.6178.90000111.4Y314 A330 Y331 Q336 V337Y314-V333 HydrophobicContact CD2-CG1 4.19Å; Y314-V333 HydrophobicContact CD2-CG2 4.34Å; Y314-V333 HydrophobicContact CG-CG2 4.42Å; A330-V333 WeakPolarHBondContact O-CB 3.48Å; A330-V333 PolarHBondContact O-N 3.39Å; Y331-V333 PolarHBondContact O-N 2.75Å; Y331-V333 VanDerWaalsContact O-N 3.13Å; V333-Q336 PolarHBondContact O-N 2.9Å; V333-V337 HydrophobicContact CG1-CG2 4.32Å; V333-V337 WeakPolarHBondContact O-CB 3.14Å; V333-V337 WeakPolarHBondContact O-CG2 2.8Å; V333-V337 PolarHBondContact O-N 3Å
334I65.1Low61Low10 Ų1058.7 Ų58.75%0.05131%0.31CS..Hα-helixtrans-65.7-46.7179-61.3-179.4000109.3K228 L229 L232 Y331 Q336 V337 Q338K228-I334 HydrophobicContact CB-CD1 3.6Å; K228-I334 HydrophobicContact CD-CD1 4.48Å; L229-I334 HydrophobicContact CD2-CD1 4.07Å; L229-I334 HydrophobicContact CD2-CG1 4.06Å; L229-I334 HydrophobicContact CG-CD1 4.14Å; L232-I334 HydrophobicContact CD2-CG2 3.85Å; Y331-I334 WeakPolarHBondContact O-CB 3.11Å; Y331-I334 PolarHBondContact O-N 3.39Å; I334-Q336 VanDerWaalsContact C-N 3.34Å; I334-Q336 PolarHBondContact O-N 3.41Å; I334-V337 PolarHBondContact O-N 3.36Å; I334-Q338 PolarHBondContact O-N 3.29Å
335D70.3Confident61.7Low104 Ų10450.2 Ų50.256%0.55627%0.265SS*.Hα-helixtrans-62.7-41.7176.9-68.1-13.9000111.4Y331 Q338 Q339Y331-D335 PolarHBondContact O-N 3Å; D335-Q338 PolarHBondContact O-N 2.77Å; D335-Q339 WeakPolarHBondContact O-CB 3.43Å; D335-Q339 PolarHBondContact O-N 3.26Å
336Q64.7Low62.7Low37 Ų3754.9 Ų54.917%0.17328%0.281CS..Hα-helixtrans-67-35.1176.3-74.3170.148.300112.3Y314 L320 D332 V333 I334 Q339 A340Y314-Q336 HydrophobicContact CE2-CB 4.35Å; L320-Q336 HydrophobicContact CD2-CB 4.32Å; D332-Q336 WeakPolarHBondContact O-CB 3.36Å; D332-Q336 WeakPolarHBondContact O-CG 3.31Å; D332-Q336 PolarHBondContact O-N 2.78Å; D332-Q336 PolarHBondContact O-NE2 3.15Å; V333-Q336 PolarHBondContact O-N 2.9Å; I334-Q336 VanDerWaalsContact C-N 3.34Å; I334-Q336 PolarHBondContact O-N 3.41Å; Q336-Q339 PolarHBondContact O-N 3.36Å; Q336-A340 WeakPolarHBondContact O-CB 3.26Å; Q336-A340 PolarHBondContact O-N 3.18Å
337V67.3Low63.4Low4 Ų453.7 Ų53.72%0.02427%0.269CS..Hα-helixtrans-65.4-43.6172.8168.60000110.3L232 T286 V290 F317 L320 V333 I334 A340 A341L232-V337 HydrophobicContact CD2-CB 4.49Å; L232-V337 HydrophobicContact CD2-CG1 4.05Å; T286-V337 HydrophobicContact CG2-CG1 3.84Å; V290-V337 HydrophobicContact CG2-CG1 4.18Å; F317-V337 HydrophobicContact CD1-CG1 4.44Å; F317-V337 HydrophobicContact CD1-CG2 4.14Å; F317-V337 HydrophobicContact CD2-CG2 3.73Å; F317-V337 HydrophobicContact CE1-CG1 3.79Å; F317-V337 HydrophobicContact CE1-CG2 3.84Å; F317-V337 HydrophobicContact CE2-CG2 3.45Å; F317-V337 VanDerWaalsContact CE2-CG2 3.45Å; F317-V337 HydrophobicContact CG-CG2 4.1Å; F317-V337 HydrophobicContact CZ-CB 4.46Å; F317-V337 HydrophobicContact CZ-CG1 4.01Å; F317-V337 HydrophobicContact CZ-CG2 3.52Å; L320-V337 HydrophobicContact CD1-CG2 3.97Å; V333-V337 HydrophobicContact CG1-CG2 4.32Å; V333-V337 WeakPolarHBondContact O-CB 3.14Å; V333-V337 WeakPolarHBondContact O-CG2 2.8Å; V333-V337 PolarHBondContact O-N 3Å; I334-V337 PolarHBondContact O-N 3.36Å; V337-A340 PolarHBondContact O-N 3.16Å; V337-A341 WeakPolarHBondContact O-CB 3.16Å; V337-A341 PolarHBondContact O-N 3.05Å
338Q68.9Low63.9Low75 Ų7551.6 Ų51.635%0.3526%0.257SS..Hα-helixtrans-61.6-47.2174.8-175.8172.6-13.200111.2L232 I334 D335 A340 A341 D342L232-Q338 HydrophobicContact CD1-CB 4.06Å; L232-Q338 HydrophobicContact CD1-CG 4.29Å; I334-Q338 PolarHBondContact O-N 3.29Å; D335-Q338 PolarHBondContact O-N 2.77Å; Q338-A340 VanDerWaalsContact C-N 3.33Å; Q338-A340 PolarHBondContact O-N 2.85Å; Q338-A341 WeakPolarHBondContact O-CB 3.37Å; Q338-A341 PolarHBondContact O-N 2.92Å; Q338-D342 PolarHBondContact O-N 3.24Å
339Q73.5Confident64.7Low100 Ų10050.9 Ų50.947%0.46725%0.25SC..Hα-helixtrans-60.5-41.6176-174.6-175.1-9.400111.8D335 Q336 A341 D342 E343D335-Q339 WeakPolarHBondContact O-CB 3.43Å; D335-Q339 PolarHBondContact O-N 3.26Å; Q336-Q339 PolarHBondContact O-N 3.36Å; Q339-A341 VanDerWaalsContact C-N 3.33Å; Q339-A341 PolarHBondContact O-N 3.41Å; Q339-D342 WeakPolarHBondContact O-CB 3.37Å; Q339-D342 PolarHBondContact O-N 3.18Å; Q339-E343 HydrophobicContact CG-CG 4.47Å; Q339-E343 WeakPolarHBondContact CG-OE1 3.48Å; Q339-E343 PolarHBondContact NE2-OE1 3.22Å; Q339-E343 WeakPolarHBondContact O-CB 3.01Å; Q339-E343 WeakPolarHBondContact O-CG 3.46Å; Q339-E343 PolarHBondContact O-N 3.32Å
340A67.1Low64.9Low3 Ų345.8 Ų45.83%0.02524%0.237CC..Hα-helixtrans-67.9-34177.400000112.5A319 L320 Q336 V337 Q338 G344A319-A340 HydrophobicContact CB-CB 3.83Å; L320-A340 HydrophobicContact CD1-CB 4.41Å; L320-A340 HydrophobicContact CD2-CB 3.51Å; L320-A340 HydrophobicContact CG-CB 3.69Å; Q336-A340 WeakPolarHBondContact O-CB 3.26Å; Q336-A340 PolarHBondContact O-N 3.18Å; V337-A340 PolarHBondContact O-N 3.16Å; Q338-A340 VanDerWaalsContact C-N 3.33Å; Q338-A340 PolarHBondContact O-N 2.85Å; A340-G344 PolarHBondContact O-N 3.38Å
341A66.1Low64.9Low1 Ų150.6 Ų50.61%0.00826%0.259CS..Hα-helixtrans-65.6-41.8172.300000111.1L236 L283 T286 V337 Q338 Q339 A345L236-A341 HydrophobicContact CD2-CB 4.19Å; L283-A341 HydrophobicContact CD2-CB 4.09Å; T286-A341 HydrophobicContact CG2-CB 4.1Å; V337-A341 WeakPolarHBondContact O-CB 3.16Å; V337-A341 PolarHBondContact O-N 3.05Å; Q338-A341 WeakPolarHBondContact O-CB 3.37Å; Q338-A341 PolarHBondContact O-N 2.92Å; Q339-A341 VanDerWaalsContact C-N 3.33Å; Q339-A341 PolarHBondContact O-N 3.41Å; A341-A345 WeakPolarHBondContact O-CB 3.41Å; A341-A345 PolarHBondContact O-N 3.1Å
342D70.5Confident64.7Low56 Ų5649.9 Ų49.930%0.29926%0.262SS..Hα-helixtrans-62.4-52.8175-72.8-30.5000111.4R239 Q338 Q339 G344 A345 E346R239-D342 IonicContact CZ-OD1 3.7Å; R239-D342 IonicContact NH1-OD1 2.82Å; R239-D342 PolarHBondContact NH1-OD1 3.27Å; R239-D342 IonicContact NH2-OD1 2.91Å; Q338-D342 PolarHBondContact O-N 3.24Å; Q339-D342 WeakPolarHBondContact O-CB 3.37Å; Q339-D342 PolarHBondContact O-N 3.18Å; D342-G344 PolarHBondContact O-N 3.48Å; D342-A345 PolarHBondContact O-N 2.69Å; D342-E346 WeakPolarHBondContact O-CG 3.49Å; D342-E346 PolarHBondContact O-N 2.97Å
343E69.5Low64.3Low57 Ų5750.9 Ų50.927%0.26627%0.273SS..Hα-helixtrans-62.1-41.7178.1-72.9178.7-146.800112.2K323 Q339 A345 E346 I347K323-E343 WeakPolarHBondContact CE-OE2 3.34Å; K323-E343 IonicContact NZ-OE1 2.73Å; K323-E343 PolarHBondContact NZ-OE1 3.37Å; K323-E343 IonicContact NZ-OE2 2.96Å; K323-E343 PolarHBondContact NZ-OE2 2.98Å; Q339-E343 HydrophobicContact CG-CG 4.47Å; Q339-E343 WeakPolarHBondContact CG-OE1 3.48Å; Q339-E343 PolarHBondContact NE2-OE1 3.22Å; Q339-E343 WeakPolarHBondContact O-CB 3.01Å; Q339-E343 WeakPolarHBondContact O-CG 3.46Å; Q339-E343 PolarHBondContact O-N 3.32Å; E343-A345 VanDerWaalsContact C-N 3.32Å; E343-A345 PolarHBondContact O-N 3.4Å; E343-E346 PolarHBondContact O-N 2.94Å; E343-I347 WeakPolarHBondContact O-CB 3.5Å; E343-I347 WeakPolarHBondContact O-CD1 3.35Å; E343-I347 WeakPolarHBondContact O-CG1 3.43Å; E343-I347 PolarHBondContact O-N 3.08Å
344G64.4Low63.9Low14 Ų1456.8 Ų56.814%0.14431%0.305CS..Hα-helixtrans-61-41.3176.200000112.1A340 D342 A348A340-G344 PolarHBondContact O-N 3.38Å; D342-G344 PolarHBondContact O-N 3.48Å; G344-A348 WeakPolarHBondContact O-CB 3.35Å; G344-A348 PolarHBondContact O-N 3.45Å
345A63.8Low63.2Low1 Ų158.4 Ų58.41%0.00832%0.315CS..Hα-helixtrans-69.1-35.1175.700000112.8K279 A341 D342 E343 E349K279-A345 VanDerWaalsContact CE-O 3.26Å; K279-A345 WeakPolarHBondContact CE-O 3.42Å; A341-A345 WeakPolarHBondContact O-CB 3.41Å; A341-A345 PolarHBondContact O-N 3.1Å; D342-A345 PolarHBondContact O-N 2.69Å; E343-A345 VanDerWaalsContact C-N 3.32Å; E343-A345 PolarHBondContact O-N 3.4Å; A345-E349 PolarHBondContact O-N 3.3Å
346E68.2Low62.3Low127 Ų12759.8 Ų59.859%0.59333%0.328SS*.Hα-helixtrans-69.5-42.9173.7-74-179.4-170.600112.2D342 E343 A348 E349 A350D342-E346 WeakPolarHBondContact O-CG 3.49Å; D342-E346 PolarHBondContact O-N 2.97Å; E343-E346 PolarHBondContact O-N 2.94Å; E346-A348 VanDerWaalsContact C-N 3.33Å; E346-A348 PolarHBondContact O-N 3.4Å; E346-E349 WeakPolarHBondContact O-CA 3.37Å; E346-E349 VanDerWaalsContact O-CB 3.24Å; E346-E349 WeakPolarHBondContact O-CB 3.5Å; E346-E349 PolarHBondContact O-N 3.44Å; E346-E349 VanDerWaalsContact O-N 3.1Å; E346-A350 PolarHBondContact O-N 3.31Å
347I64.2Low62Low98 Ų9862.1 Ų62.150%0.50334%0.341SS..Hα-helixtrans-61.7-44.7174.8-68.4163.7000109.7E343 E349 A350 M351E343-I347 WeakPolarHBondContact O-CB 3.5Å; E343-I347 WeakPolarHBondContact O-CD1 3.35Å; E343-I347 WeakPolarHBondContact O-CG1 3.43Å; E343-I347 PolarHBondContact O-N 3.08Å; I347-E349 VanDerWaalsContact C-N 3.27Å; I347-E349 PolarHBondContact O-N 2.81Å; I347-A350 PolarHBondContact O-N 2.99Å; I347-M351 HydrophobicContact CG2-CE 4.25Å; I347-M351 HydrophobicContact CG2-CG 4.33Å; I347-M351 HydrophobicContact CG2-SD 4.38Å; I347-M351 WeakPolarHBondContact O-CB 3.49Å; I347-M351 VanDerWaalsContact O-CG 3.31Å; I347-M351 WeakPolarHBondContact O-CG 3.42Å; I347-M351 PolarHBondContact O-N 2.9Å
348A58.7Low61.4Low3 Ų371.6 Ų71.63%0.02538%0.378CS..Hα-helixtrans-60.7-35.9174.200000112.3K279 I282 G344 E346 S352K279-A348 HydrophobicContact CG-CB 3.87Å; I282-A348 HydrophobicContact CD1-CB 3.72Å; G344-A348 WeakPolarHBondContact O-CB 3.35Å; G344-A348 PolarHBondContact O-N 3.45Å; E346-A348 VanDerWaalsContact C-N 3.33Å; E346-A348 PolarHBondContact O-N 3.4Å; A348-S352 VanDerWaalsContact O-CB 3.31Å; A348-S352 WeakPolarHBondContact O-CB 3.33Å; A348-S352 PolarHBondContact O-N 3.35Å; A348-S352 PolarHBondContact O-OG 3.2Å
349E64.7Low60.8Low101 Ų10174.6 Ų74.647%0.47239%0.392SS..Hα-helixtrans-61.8-52.2171.7-167.2157-174.600112K279 A345 E346 I347 M351 S352 S353K279-E349 VanDerWaalsContact NZ-CD 3.28Å; K279-E349 IonicContact NZ-OE2 2.78Å; K279-E349 PolarHBondContact NZ-OE2 3.41Å; A345-E349 PolarHBondContact O-N 3.3Å; E346-E349 WeakPolarHBondContact O-CA 3.37Å; E346-E349 VanDerWaalsContact O-CB 3.24Å; E346-E349 WeakPolarHBondContact O-CB 3.5Å; E346-E349 PolarHBondContact O-N 3.44Å; E346-E349 VanDerWaalsContact O-N 3.1Å; I347-E349 VanDerWaalsContact C-N 3.27Å; I347-E349 PolarHBondContact O-N 2.81Å; E349-M351 VanDerWaalsContact C-N 3.32Å; E349-M351 PolarHBondContact O-N 2.86Å; E349-S352 PolarHBondContact O-N 2.91Å; E349-S352 VanDerWaalsContact O-N 3.14Å; E349-S352 PolarHBondContact O-OG 3.24Å; E349-S353 PolarHBondContact O-N 3.49Å
350A57.9Low60.4Low48 Ų4870.4 Ų70.440%0.39737%0.374SS..Hα-helixtrans-59.7-43179.900000111.4E346 I347 S353 N354E346-A350 PolarHBondContact O-N 3.31Å; I347-A350 PolarHBondContact O-N 2.99Å; A350-S353 PolarHBondContact O-N 2.84Å; A350-S353 PolarHBondContact O-OG 3.05Å; A350-N354 PolarHBondContact O-N 3.41Å; A350-N354 PolarHBondContact O-ND2 3.19Å
351M55.5Low60.4Low105 Ų10571.9 Ų71.952%0.51738%0.384SS..Hα-helixtrans-63.2-45.4174.3-69.9-164.7-56.400111.5I347 E349 S353 N354 V355I347-M351 HydrophobicContact CG2-CE 4.25Å; I347-M351 HydrophobicContact CG2-CG 4.33Å; I347-M351 HydrophobicContact CG2-SD 4.38Å; I347-M351 WeakPolarHBondContact O-CB 3.49Å; I347-M351 VanDerWaalsContact O-CG 3.31Å; I347-M351 WeakPolarHBondContact O-CG 3.42Å; I347-M351 PolarHBondContact O-N 2.9Å; E349-M351 VanDerWaalsContact C-N 3.32Å; E349-M351 PolarHBondContact O-N 2.86Å; M351-S353 PolarHBondContact O-N 3.39Å; M351-N354 PolarHBondContact O-N 3.18Å; M351-V355 VanDerWaalsContact O-CB 3.24Å; M351-V355 WeakPolarHBondContact O-CB 3.43Å; M351-V355 WeakPolarHBondContact O-CG2 3.32Å; M351-V355 PolarHBondContact O-N 2.87Å
352S54.3Low61Low35 Ų3576.5 Ų76.525%0.24541%0.408CS..Hα-helixtrans-62.9-28.5178.775.90000113.3A348 E349A348-S352 VanDerWaalsContact O-CB 3.31Å; A348-S352 WeakPolarHBondContact O-CB 3.33Å; A348-S352 PolarHBondContact O-N 3.35Å; A348-S352 PolarHBondContact O-OG 3.2Å; E349-S352 PolarHBondContact O-N 2.91Å; E349-S352 VanDerWaalsContact O-N 3.14Å; E349-S352 PolarHBondContact O-OG 3.24Å
353S56.2Low61.4Low84 Ų8478.6 Ų78.659%0.58742%0.416SS*.Hα-helixtrans-78.7-27.6179.672.50000114E349 A350 M351E349-S353 PolarHBondContact O-N 3.49Å; A350-S353 PolarHBondContact O-N 2.84Å; A350-S353 PolarHBondContact O-OG 3.05Å; M351-S353 PolarHBondContact O-N 3.39Å
354N51.5Low62Low130 Ų13076.1 Ų76.170%0.69540%0.404SS*.Hα-helixtrans-108.2-4.1-170.5-69.2-26.4000114.7A350 M351 T356A350-N354 PolarHBondContact O-N 3.41Å; A350-N354 PolarHBondContact O-ND2 3.19Å; M351-N354 PolarHBondContact O-N 3.18Å; N354-T356 PolarHBondContact O-N 2.91Å
355V49.4Very low62.8Low44 Ų4479.2 Ų79.227%0.26742%0.415SS..  trans-92.7108.1-167.6167.70000112.6M351 D357M351-V355 VanDerWaalsContact O-CB 3.24Å; M351-V355 WeakPolarHBondContact O-CB 3.43Å; M351-V355 WeakPolarHBondContact O-CG2 3.32Å; M351-V355 PolarHBondContact O-N 2.87Å; V355-D357 HydrophobicContact CG1-CB 3.28Å; V355-D357 PolarHBondContact O-N 2.88Å
356T52.1Low63.9Low133 Ų13386.5 Ų86.582%0.81645%0.447SS*.  trans-85.943.4155.452.60000110.9N354 Y358N354-T356 PolarHBondContact O-N 2.91Å; T356-Y358 PolarHBondContact O-N 3.49Å
357D57.5Low64.7Low86 Ų8682.3 Ų82.346%0.4643%0.434SS..  trans-65.4132.4178.8-114.7-32.6000110.3V355 E359 S360 S361V355-D357 HydrophobicContact CG1-CB 3.28Å; V355-D357 PolarHBondContact O-N 2.88Å; D357-E359 PolarHBondContact O-N 3.33Å; D357-S360 PolarHBondContact O-N 3.12Å; D357-S361 PolarHBondContact O-N 3.39Å
358Y55Low65.7Low202 Ų20278.5 Ų78.579%0.79242%0.415SS*.Hα-helixtrans-59.4-38170.6-105.9-89.1000111.5T356 S361 L362T356-Y358 PolarHBondContact O-N 3.49Å; Y358-S361 WeakPolarHBondContact O-CB 3.07Å; Y358-S361 PolarHBondContact O-N 2.96Å; Y358-L362 PolarHBondContact O-N 3.43Å; Y358-L362 VanDerWaalsContact O-N 3.11Å
359E57.5Low67.1Low138 Ų13882.4 Ų82.465%0.64544%0.435SS*.Hα-helixtrans-69.7-44.7-179.1-160158.7-151.900111.5D357 S361 L362 E363D357-E359 PolarHBondContact O-N 3.33Å; E359-S361 VanDerWaalsContact C-N 3.27Å; E359-S361 PolarHBondContact O-N 2.68Å; E359-L362 PolarHBondContact O-N 3.4Å; E359-E363 PolarHBondContact O-N 2.88Å; E359-E363 VanDerWaalsContact O-N 3.11Å
360S64Low68.3Low12 Ų1280.4 Ų80.48%0.08444%0.436CS..Hα-helixtrans-60.6-35.3170.3-1800000111.7Q274 D357 L364Q274-S360 PolarHBondContact OE1-OG 3Å; D357-S360 PolarHBondContact O-N 3.12Å; S360-L364 VanDerWaalsContact O-CB 3.28Å; S360-L364 WeakPolarHBondContact O-CB 3.47Å; S360-L364 WeakPolarHBondContact O-CD1 3.18Å; S360-L364 WeakPolarHBondContact O-CG 3.49Å; S360-L364 PolarHBondContact O-N 3.46Å
361S68.2Low69.7Low34 Ų3479.1 Ų79.124%0.23842%0.422CS..Hα-helixtrans-65.3-41.9176.9-166.10000112.8K267 D357 Y358 E359 L364 E365K267-S361 PolarHBondContact NZ-OG 3.16Å; D357-S361 PolarHBondContact O-N 3.39Å; Y358-S361 WeakPolarHBondContact O-CB 3.07Å; Y358-S361 PolarHBondContact O-N 2.96Å; E359-S361 VanDerWaalsContact C-N 3.27Å; E359-S361 PolarHBondContact O-N 2.68Å; S361-L364 PolarHBondContact O-N 3.02Å; S361-E365 WeakPolarHBondContact O-CB 3.38Å; S361-E365 VanDerWaalsContact O-CG 3.3Å; S361-E365 WeakPolarHBondContact O-CG 3.5Å; S361-E365 PolarHBondContact O-N 2.91Å; S361-E365 PolarHBondContact OG-OE1 2.97Å; S361-E365 VanDerWaalsContact OG-OE1 3.07Å
362L77.9Confident71.1Confident98 Ų9877.5 Ų77.551%0.51342%0.415SS..Hα-helixtrans-67.9-40.2178.8-72.3172.5000112.1Y358 E359 E365 K366Y358-L362 PolarHBondContact O-N 3.43Å; Y358-L362 VanDerWaalsContact O-N 3.11Å; E359-L362 PolarHBondContact O-N 3.4Å; L362-E365 PolarHBondContact O-N 3.49Å; L362-K366 WeakPolarHBondContact O-CG 3.38Å; L362-K366 PolarHBondContact O-N 3.11Å
363E78.9Confident72.6Confident100 Ų10082.4 Ų82.447%0.46743%0.432SS..Hα-helixtrans-64.3-43.5174.7-70.5179.5163.900111.9Q274 E359 E365 K366 A367Q274-E363 PolarHBondContact NE2-OE2 3.34Å; E359-E363 PolarHBondContact O-N 2.88Å; E359-E363 VanDerWaalsContact O-N 3.11Å; E363-E365 VanDerWaalsContact C-N 3.31Å; E363-E365 PolarHBondContact O-N 3.47Å; E363-K366 PolarHBondContact O-N 2.98Å; E363-A367 WeakPolarHBondContact O-CB 2.88Å; E363-A367 PolarHBondContact O-N 3.32Å
364L82.2Confident73.8Confident5 Ų580.9 Ų80.93%0.02642%0.422CS..Hα-helixtrans-64.5-35.6176.4-71.7171.2000112.1K267 L270 R271 S360 S361 L368K267-L364 HydrophobicContact CG-CB 4.39Å; L270-L364 HydrophobicContact CB-CD2 3.67Å; R271-L364 HydrophobicContact CB-CD1 3.96Å; R271-L364 HydrophobicContact CB-CD2 4.31Å; R271-L364 HydrophobicContact CG-CD1 4.22Å; S360-L364 VanDerWaalsContact O-CB 3.28Å; S360-L364 WeakPolarHBondContact O-CB 3.47Å; S360-L364 WeakPolarHBondContact O-CD1 3.18Å; S360-L364 WeakPolarHBondContact O-CG 3.49Å; S360-L364 PolarHBondContact O-N 3.46Å; S361-L364 PolarHBondContact O-N 3.02Å; L364-L368 VanDerWaalsContact O-CB 3.28Å; L364-L368 WeakPolarHBondContact O-CB 2.87Å; L364-L368 PolarHBondContact O-N 2.91Å
365E81.2Confident75.1Confident80 Ų8077.9 Ų77.937%0.37440%0.403SS..Hα-helixtrans-67.3-46174.9-80.2162.6-153.600111.7K267 S361 L362 E363 A367 L368 D369K267-E365 IonicContact NZ-OE1 2.78Å; K267-E365 PolarHBondContact NZ-OE1 2.98Å; S361-E365 WeakPolarHBondContact O-CB 3.38Å; S361-E365 VanDerWaalsContact O-CG 3.3Å; S361-E365 WeakPolarHBondContact O-CG 3.5Å; S361-E365 PolarHBondContact O-N 2.91Å; S361-E365 PolarHBondContact OG-OE1 2.97Å; S361-E365 VanDerWaalsContact OG-OE1 3.07Å; L362-E365 PolarHBondContact O-N 3.49Å; E363-E365 VanDerWaalsContact C-N 3.31Å; E363-E365 PolarHBondContact O-N 3.47Å; E365-A367 VanDerWaalsContact C-N 3.31Å; E365-A367 PolarHBondContact O-N 3.21Å; E365-L368 PolarHBondContact O-N 3.43Å; E365-D369 WeakPolarHBondContact O-CB 3.29Å; E365-D369 VanDerWaalsContact O-CG 3.32Å; E365-D369 PolarHBondContact O-N 2.93Å
366K88Confident76.2Confident153 Ų15379.8 Ų79.867%0.66542%0.424SS*.Hα-helixtrans-58.8-42.7173.3-72.1174.4-177.1174.80112.2L362 E363 D369 A370L362-K366 WeakPolarHBondContact O-CG 3.38Å; L362-K366 PolarHBondContact O-N 3.11Å; E363-K366 PolarHBondContact O-N 2.98Å; K366-D369 PolarHBondContact O-N 3.18Å; K366-A370 WeakPolarHBondContact O-CB 3.27Å; K366-A370 PolarHBondContact O-N 3.28Å
367A83.3Confident77Confident40 Ų4080.9 Ų80.933%0.33142%0.42SS..Hα-helixtrans-66.3-40.5177.800000112L270 E363 E365 A370 L371L270-A367 HydrophobicContact CD1-CB 4.18Å; E363-A367 WeakPolarHBondContact O-CB 2.88Å; E363-A367 PolarHBondContact O-N 3.32Å; E365-A367 VanDerWaalsContact C-N 3.31Å; E365-A367 PolarHBondContact O-N 3.21Å; A367-A370 PolarHBondContact O-N 3.19Å; A367-L371 PolarHBondContact O-N 3.18Å
368L86.1Confident77.1Confident18 Ų1882.4 Ų82.49%0.09442%0.422CS..Hα-helixtrans-64.3-44.1174.5-178.164000111.4V258 A266 L270 L364 E365 A370 L371 L372V258-L368 HydrophobicContact CG2-CD1 3.86Å; A266-L368 HydrophobicContact CB-CD1 3.76Å; L270-L368 HydrophobicContact CD1-CB 3.97Å; L270-L368 HydrophobicContact CD1-CD1 4.33Å; L364-L368 VanDerWaalsContact O-CB 3.28Å; L364-L368 WeakPolarHBondContact O-CB 2.87Å; L364-L368 PolarHBondContact O-N 2.91Å; E365-L368 PolarHBondContact O-N 3.43Å; L368-A370 VanDerWaalsContact C-N 3.31Å; L368-A370 PolarHBondContact O-N 2.71Å; L368-L371 PolarHBondContact O-N 3.4Å; L368-L372 HydrophobicContact CD1-CD1 4.48Å; L368-L372 HydrophobicContact CG-CD1 4.03Å; L368-L372 WeakPolarHBondContact O-CB 3.36Å; L368-L372 WeakPolarHBondContact O-CG 3.34Å; L368-L372 PolarHBondContact O-N 3.05Å
369D88.4Confident76.6Confident85 Ų8577.8 Ų77.846%0.45542%0.417SS..Hα-helixtrans-61.5-39.6176.1-75.7-17.2000111.7E365 K366 L372 K373E365-D369 WeakPolarHBondContact O-CB 3.29Å; E365-D369 VanDerWaalsContact O-CG 3.32Å; E365-D369 PolarHBondContact O-N 2.93Å; K366-D369 PolarHBondContact O-N 3.18Å; D369-L372 PolarHBondContact O-N 3.09Å; D369-K373 WeakPolarHBondContact O-CB 3.37Å; D369-K373 VanDerWaalsContact O-CG 3.27Å; D369-K373 WeakPolarHBondContact O-CG 3.44Å; D369-K373 PolarHBondContact O-N 2.86Å
370A89.4Confident76.1Confident58 Ų5881.2 Ų81.248%0.47943%0.43SS..Hα-helixtrans-63.4-44.2174.300000111.9K366 A367 L368 K373 S374K366-A370 WeakPolarHBondContact O-CB 3.27Å; K366-A370 PolarHBondContact O-N 3.28Å; A367-A370 PolarHBondContact O-N 3.19Å; L368-A370 VanDerWaalsContact C-N 3.31Å; L368-A370 PolarHBondContact O-N 2.71Å; A370-K373 PolarHBondContact O-N 2.77Å; A370-S374 PolarHBondContact O-N 2.97Å
371L86.6Confident74.8Confident21 Ų2189.3 Ų89.311%0.1147%0.466CS..Hα-helixtrans-62.8-43.3174.7-74.5-176.8000112A254 K255 V258 L270 A367 L368 K373 S374 E375A254-L371 HydrophobicContact CB-CD1 3.87Å; K255-L371 HydrophobicContact CG-CD2 3.97Å; V258-L371 HydrophobicContact CG2-CB 4.26Å; L270-L371 HydrophobicContact CD1-CD1 4.22Å; L270-L371 HydrophobicContact CD2-CD1 3.87Å; L270-L371 HydrophobicContact CG-CD1 4.35Å; A367-L371 PolarHBondContact O-N 3.18Å; L368-L371 PolarHBondContact O-N 3.4Å; L371-K373 PolarHBondContact O-N 2.9Å; L371-S374 PolarHBondContact O-N 3.05Å; L371-S374 PolarHBondContact O-OG 2.92Å; L371-E375 PolarHBondContact O-N 3.37Å
372L85.5Confident73.4Confident71 Ų7191.7 Ų91.737%0.37249%0.488SS..Hα-helixtrans-62.6-40.8177.4-75.2166.3000112.2V258 L368 D369 E375 A376V258-L372 HydrophobicContact CG1-CD2 3.66Å; V258-L372 HydrophobicContact CG1-CG 4.28Å; L368-L372 HydrophobicContact CD1-CD1 4.48Å; L368-L372 HydrophobicContact CG-CD1 4.03Å; L368-L372 WeakPolarHBondContact O-CB 3.36Å; L368-L372 WeakPolarHBondContact O-CG 3.34Å; L368-L372 PolarHBondContact O-N 3.05Å; D369-L372 PolarHBondContact O-N 3.09Å; L372-E375 PolarHBondContact O-N 3.4Å; L372-A376 WeakPolarHBondContact O-CB 3.45Å; L372-A376 PolarHBondContact O-N 2.95Å
373K86.2Confident71.6Confident138 Ų13896.9 Ų96.960%0.651%0.507SS*.Hα-helixtrans-62.9-45.9173.3-74172.6-174.1177.30111.4D369 A370 L371 E375 A376 E377D369-K373 WeakPolarHBondContact O-CB 3.37Å; D369-K373 VanDerWaalsContact O-CG 3.27Å; D369-K373 WeakPolarHBondContact O-CG 3.44Å; D369-K373 PolarHBondContact O-N 2.86Å; A370-K373 PolarHBondContact O-N 2.77Å; L371-K373 PolarHBondContact O-N 2.9Å; K373-E375 VanDerWaalsContact C-N 3.28Å; K373-E375 PolarHBondContact O-N 3.07Å; K373-A376 PolarHBondContact O-N 2.65Å; K373-A376 VanDerWaalsContact O-N 3.11Å; K373-E377 WeakPolarHBondContact O-CB 3.32Å; K373-E377 WeakPolarHBondContact O-CG 3.23Å; K373-E377 PolarHBondContact O-N 2.84Å
374S81.1Confident69.8Low53 Ų53101 Ų10137%0.37153%0.526SS..Hα-helixtrans-62-34.8178.275.80000113A370 L371 K378A370-S374 PolarHBondContact O-N 2.97Å; L371-S374 PolarHBondContact O-N 3.05Å; L371-S374 PolarHBondContact O-OG 2.92Å; S374-K378 PolarHBondContact O-N 3Å
375E77.9Confident68Low66 Ų66107 Ų10731%0.30856%0.562SS.*Hα-helixtrans-73.9-32.6175.6-166.864.5-158.900112V258 L371 L372 K373 K378V258-E375 HydrophobicContact CG1-CB 4.16Å; V258-E375 HydrophobicContact CG1-CG 4.33Å; L371-E375 PolarHBondContact O-N 3.37Å; L372-E375 PolarHBondContact O-N 3.4Å; K373-E375 VanDerWaalsContact C-N 3.28Å; K373-E375 PolarHBondContact O-N 3.07Å; E375-K378 IonicContact OE1-NZ 3.35Å; E375-K378 WeakPolarHBondContact OE2-CE 3.35Å; E375-K378 IonicContact OE2-NZ 2.69Å; E375-K378 PolarHBondContact OE2-NZ 2.68Å
376A73.8Confident66.2Low85 Ų85107.9 Ų107.970%0.70258%0.575SS**Hα-helixtrans-73.7-28.5175.400000113L372 K373L372-A376 WeakPolarHBondContact O-CB 3.45Å; L372-A376 PolarHBondContact O-N 2.95Å; K373-A376 PolarHBondContact O-N 2.65Å; K373-A376 VanDerWaalsContact O-N 3.11Å
377E69Low64Low156 Ų156110.6 Ų110.673%0.72959%0.587SS**Hα-helixtrans-84.7-12176.8-72.6176-176.100113.5K373 P379K373-E377 WeakPolarHBondContact O-CB 3.32Å; K373-E377 WeakPolarHBondContact O-CG 3.23Å; K373-E377 PolarHBondContact O-N 2.84Å; E377-P379 WeakPolarHBondContact O-CD 3.37Å; E377-P379 VanDerWaalsContact O-N 3.14Å
378K58.9Low62.1Low117 Ų117116.1 Ų116.151%0.50961%0.61SS.*SBendtrans-57.8120167.6-79.4178.6-176.6168.30108.6S374 E375 K380S374-K378 PolarHBondContact O-N 3Å; E375-K378 IonicContact OE1-NZ 3.35Å; E375-K378 WeakPolarHBondContact OE2-CE 3.35Å; E375-K378 IonicContact OE2-NZ 2.69Å; E375-K378 PolarHBondContact OE2-NZ 2.68Å; K378-K380 PolarHBondContact O-N 3.15Å
379P44.6Very low60.2Low106 Ų106120.8 Ų120.869%0.68864%0.641SS**  trans-53.5128179.3-22.931.3000109.3E377 E381E377-P379 WeakPolarHBondContact O-CD 3.37Å; E377-P379 VanDerWaalsContact O-N 3.14Å; P379-E381 HydrophobicContact CB-CG 4.31Å; P379-E381 PolarHBondContact O-N 3.27Å
380K46.2Very low57.8Low209 Ų209126.1 Ų126.191%0.90966%0.664SS**  trans-68.158.3167.6-68.5178.6179.7172.20109.9K378 A382K378-K380 PolarHBondContact O-N 3.15Å; K380-A382 PolarHBondContact O-N 2.96Å; K380-A382 VanDerWaalsContact O-N 3.1Å
381E38.4Very low55.3Low183 Ų183133.5 Ų133.586%0.85568%0.679SS**  trans-82.178.7164.9-78.5-171.4161.500108.2P379P379-E381 HydrophobicContact CB-CG 4.31Å; P379-E381 PolarHBondContact O-N 3.27Å
382A37.5Very low53Low84 Ų84140.2 Ų140.269%0.69471%0.71SS**SBendtrans157.688.5149.400000109.2K380K380-A382 PolarHBondContact O-N 2.96Å; K380-A382 VanDerWaalsContact O-N 3.1Å
383K41.5Very low50.8Low207 Ų207141.4 Ų141.490%0.973%0.73SS**  trans179.256.4142.6-95161.6-165.4-173.90109.9
384E39.8Very low48.6Very low186 Ų186144.3 Ų144.387%0.86975%0.746SS**  trans-115.898.2148.1-147.3172.4-161.900105.3P386E384-P386 WeakPolarHBondContact O-CD 3.27Å
385V44Very low46.9Very low130 Ų130149.8 Ų149.879%0.78877%0.77SS**  trans-73.8107.9166.1177.60000104.6K387V385-K387 PolarHBondContact O-N 2.91Å
386P44.6Very low45.3Very low100 Ų100151.8 Ų151.865%0.64979%0.788SS**  trans-69.2126.7172.4-9.628.4000106.4E384 L388E384-P386 WeakPolarHBondContact O-CD 3.27Å; P386-L388 PolarHBondContact O-N 2.89Å
387K40.9Very low44.2Very low210 Ų210156 Ų15691%0.91379%0.794SS**  trans-54.8102.3168.4-79.3178175.8176.30108V385V385-K387 PolarHBondContact O-N 2.91Å
388L44.8Very low43Very low156 Ų156159.8 Ų159.882%0.81780%0.801SS**  trans-73.1126.9176.7-145.678.8000108.2P386 E390P386-L388 PolarHBondContact O-N 2.89Å; L388-E390 PolarHBondContact O-N 3.35Å
389P44.6Very low42.5Very low115 Ų115163.2 Ų163.275%0.74782%0.816SS**  trans-67.2131.3176-10.324.4000110.1R391P389-R391 PolarHBondContact O-N 3.48Å; P389-R391 VanDerWaalsContact O-N 3.17Å
390E37.7Very low42.9Very low198 Ų198166 Ų16693%0.92582%0.817SS**  trans-62.1106.7170.9-121.4172.4171.400110.3L388L388-E390 PolarHBondContact O-N 3.35Å
391R37.5Very low43.1Very low213 Ų213159.3 Ų159.380%0.80480%0.801SS**  trans-159.3103.3155.7-144.8168.3179.6178.90.5114.7P389P389-R391 PolarHBondContact O-N 3.48Å; P389-R391 VanDerWaalsContact O-N 3.17Å
392Q39.4Very low43.7Very low162 Ų162157 Ų15776%0.75779%0.794SS**  trans55102.6136.8-60.9176.7-41.300120
393A39.1Very low44.5Very low96 Ų96157.8 Ų157.879%0.79379%0.786SS**  44.2110.4129.400000119.9
394E39.9Very low45.2Very low199 Ų199157.4 Ų157.493%0.9378%0.779SS**  trans-169.6115.5130.7-101.6168.4-158.300110.5
395L45.3Very low45.9Very low168 Ų168156.8 Ų156.888%0.8877%0.774SS**  trans-109.1162.3165.3-96.7115.2000106.7
396P43.5Very low46.4Very low107 Ų107157.1 Ų157.170%0.69577%0.767SS**  cis-143.7140.9-4.134.7-13.2000115.7
397E52Low47.1Very low175 Ų175157.8 Ų157.882%0.81877%0.765SS**  trans-131.2-4.1163-80.9-152.5141.500116.3K399E397-K399 PolarHBondContact O-N 3.15Å
398R43.9Very low47.9Very low234 Ų234151.1 Ų151.188%0.88375%0.749SS**G310 helixtrans-83.92.3-172-86.3-177.7170.1-170.1-2.9117.1K400R398-K400 VanDerWaalsContact C-N 3.35Å
399K47.2Very low48.4Very low189 Ų189150.9 Ų150.982%0.82275%0.745SS**G310 helixtrans-80.2-7.5171-79.3-171.6174-175.70114.6E397E397-K399 PolarHBondContact O-N 3.15Å
400K53.3Low49.1Very low165 Ų165152.9 Ų152.972%0.71775%0.745SS**G310 helixtrans-93.3-1.4178.6-75.4-178.9177.3174.60115.4R398R398-K400 VanDerWaalsContact C-N 3.35Å
401A50.7Low50.3Low68 Ų68147.5 Ų147.556%0.56273%0.734SS**THydrogen-bonded Turntrans-101.5-15.4-177.900000114
402L51.1Low51.2Low136 Ų136141.6 Ų141.671%0.71273%0.731SS**THydrogen-bonded Turntrans-84.7-40.1175.4-12382.2000111.5R404 K405L402-R404 VanDerWaalsContact C-N 3.28Å; L402-R404 PolarHBondContact O-N 3.45Å; L402-K405 PolarHBondContact O-N 3.43Å; L402-K405 VanDerWaalsContact O-N 3.16Å
403D54Low51.7Low100 Ų100144.4 Ų144.454%0.53575%0.75SS.*Hα-helixtrans-66.3-29.7179.3-57.9-10.8000112.6K405 E406 D407D403-K405 VanDerWaalsContact C-N 3.27Å; D403-K405 PolarHBondContact O-N 3.04Å; D403-E406 PolarHBondContact O-N 3.43Å; D403-D407 PolarHBondContact O-N 3.38Å
404R57Low52.4Low199 Ų199146.9 Ų146.975%0.75175%0.748SS**Hα-helixtrans-71.6-15.7177-80.2-176.9172.5174-1.7114.6L402L402-R404 VanDerWaalsContact C-N 3.28Å; L402-R404 PolarHBondContact O-N 3.45Å
405K53.3Low53Low172 Ų172144.1 Ų144.175%0.74874%0.738SS**Hα-helixtrans-91.8-22.8175.9-97.1-172.7171.2-174.40112.8L402 D403L402-K405 PolarHBondContact O-N 3.43Å; L402-K405 VanDerWaalsContact O-N 3.16Å; D403-K405 VanDerWaalsContact C-N 3.27Å; D403-K405 PolarHBondContact O-N 3.04Å
406E55.6Low53.5Low137 Ų137142.8 Ų142.864%0.6473%0.73SS**Hα-helixtrans-79.1-35.8173.1-75.1-177.3151.900111.7D403 A408 M409 Q410D403-E406 PolarHBondContact O-N 3.43Å; E406-A408 VanDerWaalsContact C-N 3.32Å; E406-A408 PolarHBondContact O-N 2.69Å; E406-M409 PolarHBondContact O-N 2.97Å; E406-Q410 PolarHBondContact O-N 2.91Å
407D58.4Low54Low114 Ų114144.9 Ų144.961%0.6173%0.733SS**Hα-helixtrans-68.1-28.3175-73-23000113.4D403 M409D403-D407 PolarHBondContact O-N 3.38Å; D407-M409 VanDerWaalsContact C-N 3.3Å; D407-M409 PolarHBondContact O-N 3.5Å
408A58.4Low54.2Low70 Ų70143 Ų14358%0.57973%0.727SS**Hα-helixtrans-76.5-17177.100000113.3E406E406-A408 VanDerWaalsContact C-N 3.32Å; E406-A408 PolarHBondContact O-N 2.69Å
409M54.9Low54.9Low152 Ų152136.9 Ų136.975%0.74972%0.717SS**Hα-helixtrans-95.3-16.5-179.3-145.217770.600112.6E406 D407E406-M409 PolarHBondContact O-N 2.97Å; D407-M409 VanDerWaalsContact C-N 3.3Å; D407-M409 PolarHBondContact O-N 3.5Å
410Q59.6Low55.4Low157 Ų157133.2 Ų133.273%0.73471%0.709SS**Hα-helixtrans-91.4-11.8173.3-72.2-173.6-8.600114.1E406E406-Q410 PolarHBondContact O-N 2.91Å
411A62.1Low55.6Low85 Ų85130.8 Ų130.870%0.70271%0.709SS**SBendtrans-93.48.2176.400000114.2
412A55.9Low56Low89 Ų89136 Ų13674%0.73672%0.721SS**  trans-118.711.4-179.300000113.9
413L51.5Low56.4Low221 Ų221136 Ų136100%1.15772%0.722SS**  trans-99.90158.7-85.8161.9000108.1

Retrieved 413 of 413 residues in 251.5 ms (Link to these results)

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