A0A3Q0KRT2_SCHMA Loading...

Histone-lysine N-methyltransferase, H3 lysine-79 specific

Histone methyltransferase that specifically trimethylates histone H3 to form H3K79me3.

AlphaFold DB , UniProt , Accession A0A3Q0KRT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,397 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
1M41.5Very low79.4Confident238 Ų23875.7 Ų75.7100%1.17239%0.391SS*.  084.20-73.1168.6158.500109.6
2F51.7Low80.7Confident177 Ų17769.7 Ų69.778%0.77636%0.36SS*.  trans-111.691.8159-68.3-78.9000105.1
3G55Low81.6Confident60 Ų6064.4 Ų64.462%0.61933%0.333SS*.  trans-67.6168.3169.200000110.1R5G3-R5 VanDerWaalsContact C-N 3.25Å; G3-R5 PolarHBondContact O-N 2.94Å
4D70.5Confident82.2Confident105 Ų10560.7 Ų60.756%0.56132%0.315SS*.  trans-62.785.8175-86.8-50.3000110.7Q6 R21D4-Q6 PolarHBondContact O-N 2.9Å; D4-R21 IonicContact OD1-CZ 3.17Å; D4-R21 IonicContact OD1-NH1 2.97Å; D4-R21 PolarHBondContact OD1-NH1 3.01Å; D4-R21 IonicContact OD2-NH1 2.68Å; D4-R21 PolarHBondContact OD2-NH1 2.91Å; D4-R21 VanDerWaalsContact OD2-NH1 3.12Å
5R86.5Confident82.8Confident99 Ų9961.9 Ų61.937%0.37431%0.313SS..  trans-62.2126.9170.9-78.9-166.4-176.5-148.51.4108G3 W22 Y69 D70G3-R5 VanDerWaalsContact C-N 3.25Å; G3-R5 PolarHBondContact O-N 2.94Å; R5-W22 HydrophobicContact CB-CB 3.93Å; R5-W22 HydrophobicContact CB-CG 4.5Å; R5-W22 WeakPolarHBondContact O-CB 3.47Å; R5-W22 PolarHBondContact O-N 3.08Å; R5-Y69 HydrophobicContact CB-CD2 3.93Å; R5-Y69 HydrophobicContact CB-CE2 3.56Å; R5-Y69 HydrophobicContact CG-CD2 4.32Å; R5-Y69 HydrophobicContact CG-CE2 4.05Å; R5-Y69 VanDerWaalsContact NH1-CG 3.29Å; R5-D70 IonicContact CZ-OD1 2.74Å; R5-D70 IonicContact NH1-OD1 3.53Å; R5-D70 PolarHBondContact NH1-OD1 2.69Å
6Q91.5Very high83.5Confident102 Ų10264.1 Ų64.148%0.47733%0.326SS..EExtended strand (participates in β ladder)trans-132.6139.4-179.2-67.8174.627.600108.8D4 V19 F20 Y69D4-Q6 PolarHBondContact O-N 2.9Å; Q6-V19 HydrophobicContact CB-CG1 4.13Å; Q6-V19 HydrophobicContact CG-CG1 4.44Å; Q6-F20 VanDerWaalsContact CA-O 3.28Å; Q6-F20 WeakPolarHBondContact CA-O 3.31Å; Q6-Y69 PolarHBondContact O-OH 2.74Å
7V92.8Very high84.1Confident6 Ų668.5 Ų68.54%0.03634%0.343CS..EExtended strand (participates in β ladder)trans-122145.6175.7-1680000107.5F20 Y69 C76V7-F20 PolarHBondContact N-O 3.33Å; V7-F20 PolarHBondContact O-N 3.1Å; V7-Y69 HydrophobicContact CG2-CD2 3.88Å; V7-Y69 HydrophobicContact CG2-CE2 3.4Å; V7-C76 HydrophobicContact CG1-CB 3.51Å; V7-C76 WeakPolarHBondContact CG1-SG 3.3Å
8S94.9Very high84.7Confident24 Ų2466.6 Ų66.617%0.16833%0.332CS..EExtended strand (participates in β ladder)trans-125.5146.2-177.256.80000112.8K17 E18 N80S8-K17 WeakPolarHBondContact OG-CE 3.2Å; S8-E18 CarbonylContact C-O 3.58Å; S8-E18 WeakPolarHBondContact CA-O 3.28Å; S8-E18 VanDerWaalsContact CB-O 3.27Å; S8-E18 WeakPolarHBondContact CB-O 3.34Å; S8-N80 PolarHBondContact O-ND2 2.8Å
9V96.3Very high85.2Confident0 Ų066.8 Ų66.80%034%0.338CS..EExtended strand (participates in β ladder)trans-128.1123.3-179-173.40000107.9E18 F20 I37 V40 I41 Y79 N80 F210V9-E18 PolarHBondContact N-O 3.04Å; V9-E18 PolarHBondContact O-N 3.05Å; V9-F20 HydrophobicContact CB-CE2 3.97Å; V9-F20 HydrophobicContact CG2-CD2 4.02Å; V9-F20 HydrophobicContact CG2-CE2 3.59Å; V9-I37 HydrophobicContact CG2-CG2 4.01Å; V9-V40 HydrophobicContact CG1-CG1 4.28Å; V9-I41 HydrophobicContact CG1-CG1 4.02Å; V9-I41 HydrophobicContact CG2-CD1 4.34Å; V9-I41 HydrophobicContact CG2-CG1 4.47Å; V9-Y79 HydrophobicContact CB-CE1 4.43Å; V9-Y79 HydrophobicContact CG1-CD1 3.84Å; V9-Y79 HydrophobicContact CG1-CE1 3.27Å; V9-N80 WeakPolarHBondContact CA-OD1 3.33Å; V9-F210 HydrophobicContact CG1-CZ 4.04Å
10I96.7Very high85.5Confident22 Ų2264.2 Ų64.211%0.11332%0.324CS..EExtended strand (participates in β ladder)trans-79.5134.6177.9-62.4173.5000109.9R15 D16 Y79 N80 I83 I84I10-R15 HydrophobicContact CG2-CG 4.28Å; I10-D16 CarbonylContact C-O 3.57Å; I10-D16 WeakPolarHBondContact CA-O 3.43Å; I10-Y79 VanDerWaalsContact O-CE1 3.26Å; I10-Y79 WeakPolarHBondContact O-CE1 3.4Å; I10-Y79 PolarHBondContact O-OH 3.41Å; I10-N80 HydrophobicContact CD1-CB 3.86Å; I10-N80 HydrophobicContact CG1-CB 4.26Å; I10-N80 WeakPolarHBondContact CG1-OD1 3.13Å; I10-N80 PolarHBondContact N-OD1 2.95Å; I10-I83 HydrophobicContact CB-CG2 4.2Å; I10-I83 HydrophobicContact CG2-CG2 3.68Å; I10-I84 HydrophobicContact CD1-CD1 3.77Å; I10-I84 HydrophobicContact CD1-CG1 3.96Å
11S96.2Very high85.8Confident0 Ų068.6 Ų68.60%034%0.337CS..  trans-60.8125.2173.3168.30000111A13 T14 R15 D16 F210S11-A13 PolarHBondContact O-N 3.39Å; S11-A13 PolarHBondContact OG-N 2.9Å; S11-T14 VanDerWaalsContact CB-OG1 3.27Å; S11-T14 WeakPolarHBondContact CB-OG1 3.31Å; S11-T14 PolarHBondContact OG-N 3.26Å; S11-T14 PolarHBondContact OG-OG1 3.22Å; S11-R15 WeakPolarHBondContact O-CA 3.32Å; S11-R15 PolarHBondContact O-N 3.07Å; S11-D16 WeakPolarHBondContact CB-O 3.3Å; S11-D16 PolarHBondContact N-O 3.28Å; S11-F210 PolarHBondContact OG-O 2.9Å
12P94.3Very high88Confident3 Ų358.2 Ų58.22%0.01928%0.284CS..THydrogen-bonded Turntrans-63.7-27171.829.7-37.7000112V44 V48 I83 W87 F99 F210P12-V44 HydrophobicContact CB-CG1 3.79Å; P12-V44 HydrophobicContact CG-CG1 3.77Å; P12-V44 HydrophobicContact CG-CG2 3.92Å; P12-V48 HydrophobicContact CB-CG2 4.15Å; P12-I83 HydrophobicContact CB-CD1 4Å; P12-W87 PolarHBondContact O-NE1 2.79Å; P12-F99 HydrophobicContact CB-CE2 4.09Å; P12-F99 HydrophobicContact CB-CZ 3.92Å; P12-F99 HydrophobicContact CG-CE2 4.38Å; P12-F210 WeakPolarHBondContact CD-O 3.39Å
13A92.8Very high89.6Confident1 Ų152.2 Ų52.21%0.00826%0.26CS..THydrogen-bonded Turntrans-100.6-22.3-168.900000115.4S11 F99 F100 S209 F210 I517S11-A13 PolarHBondContact O-N 3.39Å; S11-A13 PolarHBondContact OG-N 2.9Å; A13-F99 HydrophobicContact CB-CE2 4.22Å; A13-F100 HydrophobicContact CB-CD2 4.11Å; A13-F100 HydrophobicContact CB-CE2 4.23Å; A13-S209 WeakPolarHBondContact CB-O 3.29Å; A13-F210 WeakPolarHBondContact CB-O 3.47Å; A13-I517 VanDerWaalsContact O-CG2 3.24Å; A13-I517 WeakPolarHBondContact O-CG2 3.24Å
14T90.5Very high90.8Very high13 Ų1353.2 Ų53.28%0.0826%0.256CS..THydrogen-bonded Turntrans-126.5-11.6-178.268.70000114.5S11 D16 L521S11-T14 VanDerWaalsContact CB-OG1 3.27Å; S11-T14 WeakPolarHBondContact CB-OG1 3.31Å; S11-T14 PolarHBondContact OG-N 3.26Å; S11-T14 PolarHBondContact OG-OG1 3.22Å; T14-D16 WeakPolarHBondContact CB-OD2 3.24Å; T14-D16 PolarHBondContact O-N 3.16Å; T14-D16 WeakPolarHBondContact OG1-CB 3.11Å; T14-D16 VanDerWaalsContact OG1-CG 3.29Å; T14-D16 PolarHBondContact OG1-N 3.23Å; T14-D16 PolarHBondContact OG1-OD2 3.4Å; T14-L521 HydrophobicContact CG2-CD1 3.69Å
15R91.4Very high91Very high79 Ų7949.8 Ų49.830%0.29824%0.239SC..  trans64.15.4-169.3-150.6175.7-178.3157.83.6114.6I10 S11 W87 D88I10-R15 HydrophobicContact CG2-CG 4.28Å; S11-R15 WeakPolarHBondContact O-CA 3.32Å; S11-R15 PolarHBondContact O-N 3.07Å; R15-W87 HydrophobicContact CB-CD2 4.01Å; R15-W87 HydrophobicContact CB-CE3 4.45Å; R15-W87 HydrophobicContact CB-CG 4.45Å; R15-W87 HydrophobicContact CB-CH2 4.41Å; R15-W87 HydrophobicContact CB-CZ2 4.01Å; R15-W87 HydrophobicContact CG-CD2 4.17Å; R15-W87 HydrophobicContact CG-CG 4.15Å; R15-D88 IonicContact CZ-OD1 2.93Å; R15-D88 IonicContact NH1-OD1 2.59Å; R15-D88 PolarHBondContact NH1-OD1 3.44Å; R15-D88 VanDerWaalsContact NH2-CG 3.33Å; R15-D88 IonicContact NH2-OD1 2.8Å; R15-D88 PolarHBondContact NH2-OD1 3.13Å; R15-D88 IonicContact NH2-OD2 3.99Å; R15-D88 PolarHBondContact NH2-OD2 3.37Å; R15-D88 VanDerWaalsContact NH2-OD2 3.15Å
16D92.8Very high90.4Very high97 Ų9754.4 Ų54.452%0.51926%0.257SS..  trans-68.3156.5173.7-63.7-55.7000112.1I10 S11 T14I10-D16 CarbonylContact C-O 3.57Å; I10-D16 WeakPolarHBondContact CA-O 3.43Å; S11-D16 WeakPolarHBondContact CB-O 3.3Å; S11-D16 PolarHBondContact N-O 3.28Å; T14-D16 WeakPolarHBondContact CB-OD2 3.24Å; T14-D16 PolarHBondContact O-N 3.16Å; T14-D16 WeakPolarHBondContact OG1-CB 3.11Å; T14-D16 VanDerWaalsContact OG1-CG 3.29Å; T14-D16 PolarHBondContact OG1-N 3.23Å; T14-D16 PolarHBondContact OG1-OD2 3.4Å
17K94.2Very high89.3Confident139 Ų13956.2 Ų56.260%0.60428%0.277SS*.EExtended strand (participates in β ladder)trans-107.4103.5-173.3-175.7-176.2-177.6178.90111.1S8 V19S8-K17 WeakPolarHBondContact OG-CE 3.2Å; K17-V19 HydrophobicContact CG-CG2 4.3Å
18E94.8Very high88.2Confident33 Ų3359 Ų5915%0.15431%0.307CS..EExtended strand (participates in β ladder)trans-73142.1167.7-177.172.2177.600109.6S8 V9 F20 H206 W207 F210S8-E18 CarbonylContact C-O 3.58Å; S8-E18 WeakPolarHBondContact CA-O 3.28Å; S8-E18 VanDerWaalsContact CB-O 3.27Å; S8-E18 WeakPolarHBondContact CB-O 3.34Å; V9-E18 PolarHBondContact N-O 3.04Å; V9-E18 PolarHBondContact O-N 3.05Å; E18-F20 HydrophobicContact CB-CE2 4.11Å; E18-F20 HydrophobicContact CG-CD2 4.04Å; E18-F20 HydrophobicContact CG-CE2 3.45Å; E18-F20 VanDerWaalsContact CG-CE2 3.45Å; E18-F20 HydrophobicContact CG-CZ 3.83Å; E18-H206 IonicContact OE2-CD2 3.12Å; E18-H206 IonicContact OE2-CE1 3.28Å; E18-H206 IonicContact OE2-NE2 2.71Å; E18-H206 PolarHBondContact OE2-NE2 3.01Å; E18-W207 HydrophobicContact CG-CH2 3.8Å; E18-W207 HydrophobicContact CG-CZ2 4.17Å; E18-W207 WeakPolarHBondContact OE1-CZ2 3.4Å; E18-F210 HydrophobicContact CB-CD2 4.33Å; E18-F210 HydrophobicContact CB-CE2 3.78Å
19V94.1Very high87.2Confident72 Ų7260.3 Ų60.344%0.43631%0.311SS..EExtended strand (participates in β ladder)trans-126.6115.4-178-177.50000110.8Q6 K17Q6-V19 HydrophobicContact CB-CG1 4.13Å; Q6-V19 HydrophobicContact CG-CG1 4.44Å; K17-V19 HydrophobicContact CG-CG2 4.3Å
20F92Very high86.2Confident13 Ų1362.4 Ų62.46%0.05732%0.324CS..EExtended strand (participates in β ladder)trans-98.4130.6179.1-61.7-102.9000110.2Q6 V7 V9 E18 I37 V40 W207Q6-F20 VanDerWaalsContact CA-O 3.28Å; Q6-F20 WeakPolarHBondContact CA-O 3.31Å; V7-F20 PolarHBondContact N-O 3.33Å; V7-F20 PolarHBondContact O-N 3.1Å; V9-F20 HydrophobicContact CB-CE2 3.97Å; V9-F20 HydrophobicContact CG2-CD2 4.02Å; V9-F20 HydrophobicContact CG2-CE2 3.59Å; E18-F20 HydrophobicContact CB-CE2 4.11Å; E18-F20 HydrophobicContact CG-CD2 4.04Å; E18-F20 HydrophobicContact CG-CE2 3.45Å; E18-F20 VanDerWaalsContact CG-CE2 3.45Å; E18-F20 HydrophobicContact CG-CZ 3.83Å; F20-I37 HydrophobicContact CB-CD1 3.77Å; F20-I37 HydrophobicContact CB-CG1 3.96Å; F20-I37 HydrophobicContact CD1-CD1 4.4Å; F20-I37 HydrophobicContact CD1-CG1 3.66Å; F20-I37 HydrophobicContact CD2-CG1 4.42Å; F20-I37 HydrophobicContact CE1-CG1 4.17Å; F20-I37 HydrophobicContact CG-CD1 4.16Å; F20-I37 HydrophobicContact CG-CG1 3.78Å; F20-V40 HydrophobicContact CZ-CG2 4.18Å; F20-W207 AromaticContact CZ-CH2 3.91Å; F20-W207 HydrophobicContact CZ-CH2 3.91Å
21R90.4Very high85.2Confident158 Ų15863.9 Ų63.960%0.59633%0.329SS*.EExtended strand (participates in β ladder)trans-81.6120.8169.8-170.8-170.8-58.8-1163.3109D4 I23D4-R21 IonicContact OD1-CZ 3.17Å; D4-R21 IonicContact OD1-NH1 2.97Å; D4-R21 PolarHBondContact OD1-NH1 3.01Å; D4-R21 IonicContact OD2-NH1 2.68Å; D4-R21 PolarHBondContact OD2-NH1 2.91Å; D4-R21 VanDerWaalsContact OD2-NH1 3.12Å; R21-I23 PolarHBondContact O-N 3.26Å
22W88.7Confident84.2Confident20 Ų2067.7 Ų67.78%0.07635%0.35CS..PPolyproline II helixtrans-75.3125.7178-177.2-90.8000111.2R5 N34 I37 Y69 V72R5-W22 HydrophobicContact CB-CB 3.93Å; R5-W22 HydrophobicContact CB-CG 4.5Å; R5-W22 WeakPolarHBondContact O-CB 3.47Å; R5-W22 PolarHBondContact O-N 3.08Å; W22-N34 HydrophobicContact CE3-CB 4.14Å; W22-N34 HydrophobicContact CH2-CB 3.9Å; W22-N34 HydrophobicContact CZ2-CB 4.35Å; W22-N34 VanDerWaalsContact CZ2-ND2 3.32Å; W22-N34 WeakPolarHBondContact CZ2-ND2 3.39Å; W22-N34 HydrophobicContact CZ3-CB 3.78Å; W22-I37 HydrophobicContact CE3-CD1 4.06Å; W22-I37 HydrophobicContact CZ3-CD1 4.28Å; W22-Y69 HydrophobicContact CB-CD2 3.81Å; W22-Y69 HydrophobicContact CB-CE2 4.17Å; W22-Y69 AromaticContact CD2-CD2 3.71Å; W22-Y69 HydrophobicContact CD2-CD2 3.71Å; W22-Y69 HydrophobicContact CD2-CG 4.36Å; W22-Y69 HydrophobicContact CE3-CD2 4.12Å; W22-Y69 AromaticContact CG-CD2 3.54Å; W22-Y69 HydrophobicContact CG-CD2 3.54Å; W22-Y69 HydrophobicContact CG-CE2 4.38Å; W22-Y69 HydrophobicContact CG-CG 4.41Å; W22-Y69 VanDerWaalsContact CZ2-N 3.3Å; W22-V72 HydrophobicContact CH2-CB 4.24Å; W22-V72 HydrophobicContact CH2-CG2 3.96Å; W22-V72 HydrophobicContact CZ3-CB 3.83Å; W22-V72 HydrophobicContact CZ3-CG1 3.96Å; W22-V72 HydrophobicContact CZ3-CG2 3.9Å
23I85.3Confident83.5Confident50 Ų5072.6 Ų72.626%0.25637%0.372SS..PPolyproline II helixtrans-90.8124.2178.8-51.6-173.4000109.5R21 C25 K31 E33 N34R21-I23 PolarHBondContact O-N 3.26Å; I23-C25 PolarHBondContact O-N 3.22Å; I23-C25 PolarHBondContact O-SG 2.79Å; I23-K31 HydrophobicContact CB-CD 4.18Å; I23-K31 HydrophobicContact CG2-CD 3.68Å; I23-E33 HydrophobicContact CD1-CB 3.72Å; I23-E33 VanDerWaalsContact CD1-CD 3.49Å; I23-E33 HydrophobicContact CD1-CG 3.75Å; I23-E33 WeakPolarHBondContact CD1-OE1 3.28Å; I23-N34 PolarHBondContact N-OD1 2.72Å; I23-N34 PolarHBondContact O-ND2 3.5Å
24P80Confident83.2Confident82 Ų8272.5 Ų72.553%0.53237%0.372SS..PPolyproline II helixtrans-57.8130174.6-26.135.4000112.4K31P24-K31 PolarHBondContact O-NZ 3.35Å
25C75.1Confident83Confident33 Ų3372.7 Ų72.722%0.22337%0.373CS..  trans-117.5158.9178.7-60.90000110.1I23 E29 K31 N34I23-C25 PolarHBondContact O-N 3.22Å; I23-C25 PolarHBondContact O-SG 2.79Å; C25-E29 HydrophobicContact CB-CB 4.28Å; C25-E29 VanDerWaalsContact CB-O 3.26Å; C25-E29 WeakPolarHBondContact CB-O 3.24Å; C25-K31 VanDerWaalsContact SG-CD 3.54Å; C25-K31 VanDerWaalsContact SG-CG 3.51Å; C25-N34 PolarHBondContact SG-ND2 2.77Å
26R74.3Confident82.9Confident195 Ų19569.8 Ų69.874%0.73636%0.363SS*.  trans-72.5154.5163.4-61.8166.4-175.4-1672.3109.3G28 E29R26-G28 PolarHBondContact O-N 2.55Å; R26-E29 HydrophobicContact CB-CB 3.99Å; R26-E29 VanDerWaalsContact CB-OE2 3.24Å; R26-E29 WeakPolarHBondContact CB-OE2 3.43Å; R26-E29 WeakPolarHBondContact CD-OE2 3.27Å; R26-E29 WeakPolarHBondContact CG-OE2 3.45Å; R26-E29 PolarHBondContact N-OE2 3.11Å; R26-E29 VanDerWaalsContact O-CB 3.29Å; R26-E29 WeakPolarHBondContact O-CB 3.27Å; R26-E29 PolarHBondContact O-N 3.47Å
27P67.7Low83Confident140 Ų14065.2 Ų65.291%0.90934%0.339SS*.THydrogen-bonded Turntrans-56.4122.7174.9-25.635.3000111.5E29P27-E29 VanDerWaalsContact C-N 3.32Å
28G68.8Low82.9Confident65 Ų6558.6 Ų58.667%0.6731%0.31SS*.THydrogen-bonded Turntrans79.13.5-175.300000115.8R26R26-G28 PolarHBondContact O-N 2.55Å
29E75.5Confident82.8Confident51 Ų5159.3 Ų59.324%0.23832%0.315CS..  trans-87.6114.5166.1-178.8-171.7178.600108.3C25 R26 P27 K31 S67C25-E29 HydrophobicContact CB-CB 4.28Å; C25-E29 VanDerWaalsContact CB-O 3.26Å; C25-E29 WeakPolarHBondContact CB-O 3.24Å; R26-E29 HydrophobicContact CB-CB 3.99Å; R26-E29 VanDerWaalsContact CB-OE2 3.24Å; R26-E29 WeakPolarHBondContact CB-OE2 3.43Å; R26-E29 WeakPolarHBondContact CD-OE2 3.27Å; R26-E29 WeakPolarHBondContact CG-OE2 3.45Å; R26-E29 PolarHBondContact N-OE2 3.11Å; R26-E29 VanDerWaalsContact O-CB 3.29Å; R26-E29 WeakPolarHBondContact O-CB 3.27Å; R26-E29 PolarHBondContact O-N 3.47Å; P27-E29 VanDerWaalsContact C-N 3.32Å; E29-K31 WeakPolarHBondContact OE1-CE 3.34Å; E29-S67 WeakPolarHBondContact O-CB 3.19Å
30V74.2Confident82.9Confident45 Ų4555.9 Ų55.927%0.27329%0.294SS..  trans-91.3124.7168.3-179.40000108R66 T930V30-R66 HydrophobicContact CG1-CB 4.05Å; V30-R66 HydrophobicContact CG2-CB 4.36Å; V30-T930 WeakPolarHBondContact O-CB 3.39Å; V30-T930 WeakPolarHBondContact O-CG2 3.3Å
31K76.1Confident83Confident52 Ų5255.2 Ų55.223%0.22629%0.291CS..  trans-96.2140.9169.4-78.1-175.3-176.81720110.5I23 P24 C25 E29 E33 N34 S35I23-K31 HydrophobicContact CB-CD 4.18Å; I23-K31 HydrophobicContact CG2-CD 3.68Å; P24-K31 PolarHBondContact O-NZ 3.35Å; C25-K31 VanDerWaalsContact SG-CD 3.54Å; C25-K31 VanDerWaalsContact SG-CG 3.51Å; E29-K31 WeakPolarHBondContact OE1-CE 3.34Å; K31-E33 VanDerWaalsContact C-N 3.26Å; K31-E33 WeakPolarHBondContact CB-OE2 3.5Å; K31-E33 PolarHBondContact O-N 3.09Å; K31-N34 PolarHBondContact O-N 3.07Å; K31-S35 PolarHBondContact O-N 3.12Å
32D75.6Confident83.3Confident81 Ų8150 Ų5043%0.43328%0.279SS..Hα-helixtrans-62.6-38.2-171.8-60.3-33000110.1N34 S35 E36D32-N34 PolarHBondContact O-N 2.87Å; D32-S35 WeakPolarHBondContact CA-OG 3.25Å; D32-S35 PolarHBondContact O-N 3.04Å; D32-S35 PolarHBondContact O-OG 3.42Å; D32-E36 PolarHBondContact O-N 2.59Å
33E79.6Confident83.5Confident105 Ų10551.8 Ų51.849%0.49129%0.286SS..Hα-helixtrans-66.2-36.2178.8-4895.2134.200113.6I23 K31I23-E33 HydrophobicContact CD1-CB 3.72Å; I23-E33 VanDerWaalsContact CD1-CD 3.49Å; I23-E33 HydrophobicContact CD1-CG 3.75Å; I23-E33 WeakPolarHBondContact CD1-OE1 3.28Å; K31-E33 VanDerWaalsContact C-N 3.26Å; K31-E33 WeakPolarHBondContact CB-OE2 3.5Å; K31-E33 PolarHBondContact O-N 3.09Å
34N86.7Confident84Confident0 Ų049.5 Ų49.50%027%0.274CS..Hα-helixtrans-75.2-35.4173.9-71-4.6000111.1W22 I23 C25 K31 D32 E36 I37W22-N34 HydrophobicContact CE3-CB 4.14Å; W22-N34 HydrophobicContact CH2-CB 3.9Å; W22-N34 HydrophobicContact CZ2-CB 4.35Å; W22-N34 VanDerWaalsContact CZ2-ND2 3.32Å; W22-N34 WeakPolarHBondContact CZ2-ND2 3.39Å; W22-N34 HydrophobicContact CZ3-CB 3.78Å; I23-N34 PolarHBondContact N-OD1 2.72Å; I23-N34 PolarHBondContact O-ND2 3.5Å; C25-N34 PolarHBondContact SG-ND2 2.77Å; K31-N34 PolarHBondContact O-N 3.07Å; D32-N34 PolarHBondContact O-N 2.87Å; N34-E36 VanDerWaalsContact C-N 3.28Å; N34-E36 PolarHBondContact O-N 3.15Å; N34-I37 WeakPolarHBondContact O-CG1 3.48Å; N34-I37 PolarHBondContact O-N 2.94Å
35S86.6Confident84.7Confident16 Ų1646 Ų4611%0.11225%0.251CS..Hα-helixtrans-67.2-31.5-18080.90000112.3K31 D32 I37 V38 D39K31-S35 PolarHBondContact O-N 3.12Å; D32-S35 WeakPolarHBondContact CA-OG 3.25Å; D32-S35 PolarHBondContact O-N 3.04Å; D32-S35 PolarHBondContact O-OG 3.42Å; S35-I37 PolarHBondContact O-N 2.95Å; S35-V38 PolarHBondContact O-N 2.72Å; S35-V38 VanDerWaalsContact O-N 3.09Å; S35-D39 PolarHBondContact O-N 2.81Å
36E89.4Confident85.5Confident18 Ų1848.7 Ų48.78%0.08427%0.27CS..Hα-helixtrans-55.3-39.1177.7-160.3-160.1100.900111.9D32 N34 V38 D39 V40 F111 Q115 R119D32-E36 PolarHBondContact O-N 2.59Å; N34-E36 VanDerWaalsContact C-N 3.28Å; N34-E36 PolarHBondContact O-N 3.15Å; E36-V38 PolarHBondContact O-N 2.74Å; E36-D39 PolarHBondContact O-N 3.02Å; E36-V40 HydrophobicContact CG-CG2 4.45Å; E36-V40 WeakPolarHBondContact O-CG2 3.43Å; E36-V40 PolarHBondContact O-N 2.69Å; E36-F111 HydrophobicContact CG-CZ 4.44Å; E36-Q115 PolarHBondContact OE1-NE2 3.39Å; E36-R119 VanDerWaalsContact CD-NH1 3.25Å; E36-R119 IonicContact OE1-CZ 2.64Å; E36-R119 VanDerWaalsContact OE1-CZ 3.24Å; E36-R119 IonicContact OE1-NH1 2.68Å; E36-R119 PolarHBondContact OE1-NH1 2.98Å; E36-R119 IonicContact OE1-NH2 3.19Å; E36-R119 PolarHBondContact OE1-NH2 2.74Å; E36-R119 IonicContact OE2-CZ 2.94Å; E36-R119 IonicContact OE2-NH1 2.87Å; E36-R119 PolarHBondContact OE2-NH1 3.19Å; E36-R119 IonicContact OE2-NH2 3.99Å
37I93.2Very high86.3Confident1 Ų140.8 Ų40.81%0.00524%0.243CC..Hα-helixtrans-55-42.3179.2-51175.3000111V9 F20 W22 N34 S35 I41 V72V9-I37 HydrophobicContact CG2-CG2 4.01Å; F20-I37 HydrophobicContact CB-CD1 3.77Å; F20-I37 HydrophobicContact CB-CG1 3.96Å; F20-I37 HydrophobicContact CD1-CD1 4.4Å; F20-I37 HydrophobicContact CD1-CG1 3.66Å; F20-I37 HydrophobicContact CD2-CG1 4.42Å; F20-I37 HydrophobicContact CE1-CG1 4.17Å; F20-I37 HydrophobicContact CG-CD1 4.16Å; F20-I37 HydrophobicContact CG-CG1 3.78Å; W22-I37 HydrophobicContact CE3-CD1 4.06Å; W22-I37 HydrophobicContact CZ3-CD1 4.28Å; N34-I37 WeakPolarHBondContact O-CG1 3.48Å; N34-I37 PolarHBondContact O-N 2.94Å; S35-I37 PolarHBondContact O-N 2.95Å; I37-I41 PolarHBondContact O-N 2.66Å; I37-V72 HydrophobicContact CB-CG1 4.2Å; I37-V72 HydrophobicContact CD1-CG1 4.36Å; I37-V72 HydrophobicContact CG2-CG1 3.87Å
38V93.3Very high87.5Confident1 Ų134.1 Ų34.11%0.00620%0.2CC..Hα-helixtrans-75.1-33.9-179.6-175.90000111S35 E36 S42 L61 T64 R66 V72 L75S35-V38 PolarHBondContact O-N 2.72Å; S35-V38 VanDerWaalsContact O-N 3.09Å; E36-V38 PolarHBondContact O-N 2.74Å; V38-S42 WeakPolarHBondContact O-CB 3.46Å; V38-S42 PolarHBondContact O-N 3.2Å; V38-L61 HydrophobicContact CG1-CD1 3.77Å; V38-T64 HydrophobicContact CG2-CG2 4.46Å; V38-R66 HydrophobicContact CB-CG 4.37Å; V38-R66 HydrophobicContact CG1-CG 4.45Å; V38-R66 HydrophobicContact CG2-CG 4.15Å; V38-V72 HydrophobicContact CG2-CG1 4.23Å; V38-V72 HydrophobicContact CG2-CG2 3.82Å; V38-L75 HydrophobicContact CG1-CD2 4.03Å; V38-L75 HydrophobicContact CG2-CD2 4.22Å
39D92.7Very high88.6Confident47 Ų4737.2 Ų37.225%0.25119%0.191SC..Hα-helixtrans-71.2-37.6175.6-68.3-40.6000112.5S35 E36 S42 W43 R66 F111S35-D39 PolarHBondContact O-N 2.81Å; E36-D39 PolarHBondContact O-N 3.02Å; D39-S42 WeakPolarHBondContact O-CB 3.44Å; D39-S42 PolarHBondContact O-N 3.49Å; D39-W43 PolarHBondContact O-N 2.67Å; D39-R66 IonicContact OD1-CZ 3.35Å; D39-R66 VanDerWaalsContact OD1-CZ 3.25Å; D39-R66 IonicContact OD1-NH1 2.71Å; D39-R66 PolarHBondContact OD1-NH1 2.7Å; D39-R66 IonicContact OD1-NH2 3.2Å; D39-R66 PolarHBondContact OD1-NH2 2.89Å; D39-R66 IonicContact OD2-CZ 3.15Å; D39-R66 IonicContact OD2-NH1 2.67Å; D39-R66 PolarHBondContact OD2-NH1 3.16Å; D39-R66 IonicContact OD2-NH2 2.79Å; D39-F111 HydrophobicContact CB-CE2 3.68Å; D39-F111 HydrophobicContact CB-CZ 3.86Å
40V95.1Very high89.3Confident0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-56.8-50.8171.6171.60000110.7V9 F20 E36 S42 W43 V44 F111 W207 F210 Y211V9-V40 HydrophobicContact CG1-CG1 4.28Å; F20-V40 HydrophobicContact CZ-CG2 4.18Å; E36-V40 HydrophobicContact CG-CG2 4.45Å; E36-V40 WeakPolarHBondContact O-CG2 3.43Å; E36-V40 PolarHBondContact O-N 2.69Å; V40-S42 VanDerWaalsContact C-N 3.31Å; V40-S42 PolarHBondContact O-N 3.26Å; V40-W43 PolarHBondContact O-N 3.28Å; V40-V44 PolarHBondContact O-N 3.19Å; V40-V44 VanDerWaalsContact O-N 3.13Å; V40-F111 HydrophobicContact CG2-CE1 4.18Å; V40-F111 HydrophobicContact CG2-CZ 4.01Å; V40-W207 HydrophobicContact CG1-CZ3 4.31Å; V40-W207 HydrophobicContact CG2-CH2 4.45Å; V40-W207 HydrophobicContact CG2-CZ3 4.45Å; V40-F210 HydrophobicContact CG1-CE1 3.89Å; V40-F210 HydrophobicContact CG1-CZ 4.19Å; V40-Y211 HydrophobicContact CG1-CE1 4.23Å; V40-Y211 WeakPolarHBondContact CG2-OH 3.43Å
41I95.7Very high90.1Very high0 Ų034.9 Ų34.90%018%0.177CC..Hα-helixtrans-61.5-42176.5-70.8175.7000110.4V9 I37 W43 V44 V45 L61 L75 C76 Y79V9-I41 HydrophobicContact CG1-CG1 4.02Å; V9-I41 HydrophobicContact CG2-CD1 4.34Å; V9-I41 HydrophobicContact CG2-CG1 4.47Å; I37-I41 PolarHBondContact O-N 2.66Å; I41-W43 VanDerWaalsContact C-N 3.31Å; I41-W43 PolarHBondContact O-N 3.5Å; I41-V44 PolarHBondContact O-N 2.94Å; I41-V45 HydrophobicContact CG2-CG2 4.09Å; I41-V45 WeakPolarHBondContact O-CB 3.44Å; I41-V45 VanDerWaalsContact O-CG2 3.24Å; I41-V45 WeakPolarHBondContact O-CG2 3.4Å; I41-V45 PolarHBondContact O-N 3.29Å; I41-L61 HydrophobicContact CG2-CD1 4.19Å; I41-L75 HydrophobicContact CD1-CD2 4.36Å; I41-L75 HydrophobicContact CD1-CG 4.11Å; I41-L75 HydrophobicContact CG2-CD1 4.38Å; I41-L75 HydrophobicContact CG2-CG 4.43Å; I41-C76 HydrophobicContact CD1-CB 4.4Å; I41-C76 VanDerWaalsContact CD1-SG 3.52Å; I41-Y79 HydrophobicContact CB-CD2 4.35Å; I41-Y79 HydrophobicContact CD1-CD1 4.29Å; I41-Y79 HydrophobicContact CD1-CD2 4.49Å; I41-Y79 HydrophobicContact CD1-CG 4.02Å; I41-Y79 HydrophobicContact CG1-CD1 4.25Å; I41-Y79 HydrophobicContact CG1-CD2 4Å; I41-Y79 HydrophobicContact CG1-CE2 4.32Å; I41-Y79 HydrophobicContact CG1-CG 3.97Å; I41-Y79 HydrophobicContact CG2-CD2 3.77Å; I41-Y79 HydrophobicContact CG2-CE2 4.44Å; I41-Y79 HydrophobicContact CG2-CG 4.24Å
42S95Very high90.8Very high48 Ų4835.1 Ų35.134%0.33619%0.185SC..Hα-helixtrans-60.9-35.5176.9-172.10000113.3V38 D39 V40 S46V38-S42 WeakPolarHBondContact O-CB 3.46Å; V38-S42 PolarHBondContact O-N 3.2Å; D39-S42 WeakPolarHBondContact O-CB 3.44Å; D39-S42 PolarHBondContact O-N 3.49Å; V40-S42 VanDerWaalsContact C-N 3.31Å; V40-S42 PolarHBondContact O-N 3.26Å; S42-S46 VanDerWaalsContact O-CB 3.31Å; S42-S46 WeakPolarHBondContact O-CB 3.49Å; S42-S46 PolarHBondContact O-N 2.82Å; S42-S46 VanDerWaalsContact O-N 3.1Å
43W94.7Very high91.5Very high57 Ų5737.7 Ų37.722%0.21620%0.195CC..Hα-helixtrans-69.9-44.5175-82109.2000112.3D39 V40 I41 S46 D47 D107 H108 F111D39-W43 PolarHBondContact O-N 2.67Å; V40-W43 PolarHBondContact O-N 3.28Å; I41-W43 VanDerWaalsContact C-N 3.31Å; I41-W43 PolarHBondContact O-N 3.5Å; W43-S46 PolarHBondContact O-N 2.94Å; W43-D47 WeakPolarHBondContact O-CB 3.45Å; W43-D47 PolarHBondContact O-N 3.49Å; W43-D107 HydrophobicContact CH2-CB 3.66Å; W43-D107 HydrophobicContact CZ2-CB 4.34Å; W43-H108 HydrophobicContact CD2-CB 4.45Å; W43-H108 AromaticContact CD2-CD2 3.97Å; W43-H108 HydrophobicContact CE3-CB 3.85Å; W43-H108 AromaticContact CE3-CG 3.76Å; W43-H108 HydrophobicContact CH2-CB 4.21Å; W43-H108 HydrophobicContact CZ3-CB 3.73Å; W43-F111 AromaticContact CD1-CD1 3.24Å; W43-F111 AromaticContact CD1-CD2 3.86Å; W43-F111 AromaticContact CD1-CE1 3.37Å; W43-F111 AromaticContact CD1-CE2 3.98Å; W43-F111 AromaticContact CD1-CG 3.5Å; W43-F111 VanDerWaalsContact CD1-CG 3.5Å; W43-F111 AromaticContact CD1-CZ 3.75Å; W43-F111 AromaticContact CE2-CG 3.99Å; W43-F111 HydrophobicContact CG-CD1 4.03Å; W43-F111 HydrophobicContact CG-CE1 4.27Å; W43-F111 HydrophobicContact CG-CG 4.46Å; W43-F111 HydrophobicContact CZ2-CB 4.17Å; W43-F111 AromaticContact NE1-CD1 3.42Å; W43-F111 AromaticContact NE1-CD2 3.41Å; W43-F111 AromaticContact NE1-CE1 3.92Å; W43-F111 AromaticContact NE1-CE2 3.92Å; W43-F111 AromaticContact NE1-CG 3.12Å
44V95.1Very high92Very high2 Ų234.9 Ų34.91%0.01218%0.183CC..Hα-helixtrans-63.2-44.4176.8179.40000111.1P12 V40 I41 S46 D47 V48 Y79 I83 F210 Y211P12-V44 HydrophobicContact CB-CG1 3.79Å; P12-V44 HydrophobicContact CG-CG1 3.77Å; P12-V44 HydrophobicContact CG-CG2 3.92Å; V40-V44 PolarHBondContact O-N 3.19Å; V40-V44 VanDerWaalsContact O-N 3.13Å; I41-V44 PolarHBondContact O-N 2.94Å; V44-S46 PolarHBondContact O-N 3.23Å; V44-D47 PolarHBondContact O-N 2.91Å; V44-V48 HydrophobicContact CG1-CG2 3.76Å; V44-V48 WeakPolarHBondContact O-CB 3.49Å; V44-V48 WeakPolarHBondContact O-CG2 3.19Å; V44-V48 PolarHBondContact O-N 2.78Å; V44-Y79 HydrophobicContact CB-CE2 3.94Å; V44-Y79 HydrophobicContact CG1-CE2 3.76Å; V44-I83 HydrophobicContact CG1-CD1 4.24Å; V44-F210 HydrophobicContact CG2-CE1 4.46Å; V44-Y211 HydrophobicContact CG2-CD1 4.03Å; V44-Y211 HydrophobicContact CG2-CE1 4.03Å
45V94.2Very high92.1Very high9 Ų939.2 Ų39.26%0.05521%0.211CC..Hα-helixtrans-63.9-26.4176.5173.10000112.5I41 M51 S52 L57 V58 L61I41-V45 HydrophobicContact CG2-CG2 4.09Å; I41-V45 WeakPolarHBondContact O-CB 3.44Å; I41-V45 VanDerWaalsContact O-CG2 3.24Å; I41-V45 WeakPolarHBondContact O-CG2 3.4Å; I41-V45 PolarHBondContact O-N 3.29Å; V45-M51 HydrophobicContact CG2-CB 4.3Å; V45-M51 HydrophobicContact CG2-CE 4.46Å; V45-S52 WeakPolarHBondContact O-CA 3.4Å; V45-S52 WeakPolarHBondContact O-CB 3.2Å; V45-S52 PolarHBondContact O-N 3.02Å; V45-L57 HydrophobicContact CG2-CD2 3.56Å; V45-L57 HydrophobicContact CG2-CG 4.07Å; V45-V58 HydrophobicContact CG1-CG2 3.77Å; V45-L61 HydrophobicContact CB-CD2 4.33Å; V45-L61 HydrophobicContact CG1-CD2 4.22Å
46S91.8Very high92.3Very high89 Ų8942.7 Ų42.762%0.62223%0.232SC*.Hα-helixtrans-84.4-24.8176.2-172.10000114.3S42 W43 V44S42-S46 VanDerWaalsContact O-CB 3.31Å; S42-S46 WeakPolarHBondContact O-CB 3.49Å; S42-S46 PolarHBondContact O-N 2.82Å; S42-S46 VanDerWaalsContact O-N 3.1Å; W43-S46 PolarHBondContact O-N 2.94Å; V44-S46 PolarHBondContact O-N 3.23Å
47D91.9Very high92.4Very high29 Ų2941.8 Ų41.816%0.15523%0.228CC..Hα-helixtrans-106.1-26.6-170.9176.980.5000113.2W43 V44 F99 R102 K213W43-D47 WeakPolarHBondContact O-CB 3.45Å; W43-D47 PolarHBondContact O-N 3.49Å; V44-D47 PolarHBondContact O-N 2.91Å; D47-F99 WeakPolarHBondContact OD2-CB 3.32Å; D47-R102 PolarHBondContact O-NH2 3.42Å; D47-R102 IonicContact OD1-CZ 2.69Å; D47-R102 IonicContact OD1-NH2 3.69Å; D47-R102 PolarHBondContact OD1-NH2 2.81Å; D47-R102 IonicContact OD2-NH2 2.71Å; D47-K213 IonicContact OD1-NZ 2.69Å; D47-K213 PolarHBondContact OD1-NZ 3.15Å; D47-K213 VanDerWaalsContact OD2-CE 3.27Å; D47-K213 WeakPolarHBondContact OD2-CE 3.38Å; D47-K213 IonicContact OD2-NZ 3.82Å; D47-K213 PolarHBondContact OD2-NZ 2.88Å
48V92.6Very high92.4Very high1 Ų143.5 Ų43.51%0.00624%0.238CC..SBendtrans-94110.2171-174.60000109.4P12 V44 E50 M51 S52 L86 W90 F99P12-V48 HydrophobicContact CB-CG2 4.15Å; V44-V48 HydrophobicContact CG1-CG2 3.76Å; V44-V48 WeakPolarHBondContact O-CB 3.49Å; V44-V48 WeakPolarHBondContact O-CG2 3.19Å; V44-V48 PolarHBondContact O-N 2.78Å; V48-E50 VanDerWaalsContact C-N 3.33Å; V48-E50 PolarHBondContact O-N 2.96Å; V48-M51 HydrophobicContact CB-CB 4.13Å; V48-M51 HydrophobicContact CB-CG 3.97Å; V48-M51 HydrophobicContact CG1-CB 4.3Å; V48-M51 HydrophobicContact CG1-CG 3.8Å; V48-M51 PolarHBondContact O-N 2.68Å; V48-M51 VanDerWaalsContact O-N 3.14Å; V48-S52 PolarHBondContact O-N 3.46Å; V48-S52 VanDerWaalsContact O-N 3.1Å; V48-L86 HydrophobicContact CG1-CD1 4.41Å; V48-W90 HydrophobicContact CG1-CH2 4.31Å; V48-W90 HydrophobicContact CG1-CZ2 4.3Å; V48-F99 HydrophobicContact CB-CD1 4.24Å; V48-F99 HydrophobicContact CB-CE1 4.34Å; V48-F99 HydrophobicContact CG1-CD1 4.09Å; V48-F99 HydrophobicContact CG1-CE1 3.89Å; V48-F99 HydrophobicContact CG2-CD1 3.69Å; V48-F99 HydrophobicContact CG2-CD2 4.31Å; V48-F99 HydrophobicContact CG2-CE1 3.66Å; V48-F99 HydrophobicContact CG2-CE2 4.31Å; V48-F99 HydrophobicContact CG2-CG 4.03Å; V48-F99 HydrophobicContact CG2-CZ 4.01Å
49R91.3Very high92.3Very high129 Ų12949 Ų4949%0.48726%0.264SS..Hα-helixtrans-53.4-47.9-175.5172.9-177.260.7-152.4-0.5112.3M51 S52 E53 E98R49-M51 PolarHBondContact O-N 3.06Å; R49-S52 WeakPolarHBondContact O-CA 3.46Å; R49-S52 WeakPolarHBondContact O-CB 3.33Å; R49-S52 PolarHBondContact O-N 2.94Å; R49-S52 PolarHBondContact O-OG 3.28Å; R49-E53 VanDerWaalsContact CG-OE1 3.25Å; R49-E53 WeakPolarHBondContact CG-OE1 3.44Å; R49-E53 PolarHBondContact O-N 3.26Å; R49-E98 IonicContact NH1-OE2 2.71Å
50E91.3Very high92.2Very high47 Ų4748.8 Ų48.822%0.2226%0.262CS..Hα-helixtrans-64.8-29.7-174.5-62.365.3-145.400111.8V48 L86V48-E50 VanDerWaalsContact C-N 3.33Å; V48-E50 PolarHBondContact O-N 2.96Å; E50-L86 HydrophobicContact CB-CD1 3.88Å; E50-L86 HydrophobicContact CB-CD2 3.54Å; E50-L86 HydrophobicContact CB-CG 4.39Å; E50-L86 HydrophobicContact CG-CD2 4.02Å
51M91.4Very high92.1Very high1 Ų150.2 Ų50.21%0.00527%0.27CS..Hα-helixtrans-76.2-35.8172.5-65.1-69.6-83.600111.6V45 V48 R49 E53 N54 L57 Y79 A82 I83 L86V45-M51 HydrophobicContact CG2-CB 4.3Å; V45-M51 HydrophobicContact CG2-CE 4.46Å; V48-M51 HydrophobicContact CB-CB 4.13Å; V48-M51 HydrophobicContact CB-CG 3.97Å; V48-M51 HydrophobicContact CG1-CB 4.3Å; V48-M51 HydrophobicContact CG1-CG 3.8Å; V48-M51 PolarHBondContact O-N 2.68Å; V48-M51 VanDerWaalsContact O-N 3.14Å; R49-M51 PolarHBondContact O-N 3.06Å; M51-E53 PolarHBondContact O-N 3.37Å; M51-N54 PolarHBondContact O-N 3.45Å; M51-L57 HydrophobicContact CE-CD2 3.38Å; M51-L57 HydrophobicContact SD-CD2 4.08Å; M51-Y79 HydrophobicContact CE-CD2 3.35Å; M51-Y79 HydrophobicContact CE-CE2 3.57Å; M51-Y79 HydrophobicContact CE-CG 4.24Å; M51-A82 HydrophobicContact CE-CB 3.99Å; M51-A82 HydrophobicContact SD-CB 3.65Å; M51-I83 HydrophobicContact CE-CD1 3.63Å; M51-I83 HydrophobicContact CE-CG1 3.83Å; M51-I83 HydrophobicContact CG-CD1 4.13Å; M51-I83 HydrophobicContact SD-CD1 3.92Å; M51-I83 HydrophobicContact SD-CG1 4.48Å; M51-L86 HydrophobicContact CG-CD1 3.68Å; M51-L86 HydrophobicContact SD-CD1 3.6Å
52S89.7Confident91.9Very high57 Ų5757.9 Ų57.940%0.39930%0.303SS..Hα-helixtrans-65.7-26.8174.885.50000113.2V45 V48 R49V45-S52 WeakPolarHBondContact O-CA 3.4Å; V45-S52 WeakPolarHBondContact O-CB 3.2Å; V45-S52 PolarHBondContact O-N 3.02Å; V48-S52 PolarHBondContact O-N 3.46Å; V48-S52 VanDerWaalsContact O-N 3.1Å; R49-S52 WeakPolarHBondContact O-CA 3.46Å; R49-S52 WeakPolarHBondContact O-CB 3.33Å; R49-S52 PolarHBondContact O-N 2.94Å; R49-S52 PolarHBondContact O-OG 3.28Å
53E90Very high91.7Very high134 Ų13462.9 Ų62.963%0.62632%0.321SS*.THydrogen-bonded Turntrans-84.7-9.8179.1-70.8178.3-164.300113.1R49 M51 P55R49-E53 VanDerWaalsContact CG-OE1 3.25Å; R49-E53 WeakPolarHBondContact CG-OE1 3.44Å; R49-E53 PolarHBondContact O-N 3.26Å; M51-E53 PolarHBondContact O-N 3.37Å; E53-P55 VanDerWaalsContact O-CD 3.23Å; E53-P55 WeakPolarHBondContact O-CD 3.26Å
54N90.7Very high91.5Very high46 Ų4660.9 Ų60.925%0.24632%0.315CS..  trans-79.6105.8177.5-176.8-28.7000111.1M51 T56 L57 V58M51-N54 PolarHBondContact O-N 3.45Å; N54-T56 PolarHBondContact O-N 3.29Å; N54-T56 PolarHBondContact OD1-N 2.94Å; N54-L57 HydrophobicContact CB-CB 4.08Å; N54-L57 PolarHBondContact O-N 3.2Å; N54-L57 PolarHBondContact OD1-N 3.19Å; N54-L57 VanDerWaalsContact OD1-N 3.11Å; N54-V58 WeakPolarHBondContact O-CB 3.3Å; N54-V58 WeakPolarHBondContact O-CG2 3.42Å; N54-V58 PolarHBondContact O-N 2.68Å; N54-V58 VanDerWaalsContact O-N 3.12Å
55P89.7Confident91.2Very high92 Ų9264.4 Ų64.460%0.59733%0.334SS*.Hα-helixtrans-68.3-38-17228.7-34.8000112.1E53 L57 V58 E59E53-P55 VanDerWaalsContact O-CD 3.23Å; E53-P55 WeakPolarHBondContact O-CD 3.26Å; P55-L57 PolarHBondContact O-N 3.2Å; P55-V58 PolarHBondContact O-N 3.47Å; P55-E59 VanDerWaalsContact O-CB 3.26Å; P55-E59 WeakPolarHBondContact O-CB 3.41Å; P55-E59 PolarHBondContact O-N 3.16Å
56T90.1Very high91Very high88 Ų8867.8 Ų67.854%0.5435%0.346SS..Hα-helixtrans-65.5-39.9-178.5-55.90000111.5N54 L60N54-T56 PolarHBondContact O-N 3.29Å; N54-T56 PolarHBondContact OD1-N 2.94Å; T56-L60 VanDerWaalsContact O-CB 3.24Å; T56-L60 WeakPolarHBondContact O-CB 3.2Å; T56-L60 PolarHBondContact O-N 2.99Å
57L91.8Very high90.7Very high0 Ų064.6 Ų64.60%032%0.324CS..Hα-helixtrans-68.4-42.9175.7-175.864.4000111.6V45 M51 N54 P55 E59 L60 L61 L75 V78V45-L57 HydrophobicContact CG2-CD2 3.56Å; V45-L57 HydrophobicContact CG2-CG 4.07Å; M51-L57 HydrophobicContact CE-CD2 3.38Å; M51-L57 HydrophobicContact SD-CD2 4.08Å; N54-L57 HydrophobicContact CB-CB 4.08Å; N54-L57 PolarHBondContact O-N 3.2Å; N54-L57 PolarHBondContact OD1-N 3.19Å; N54-L57 VanDerWaalsContact OD1-N 3.11Å; P55-L57 PolarHBondContact O-N 3.2Å; L57-E59 VanDerWaalsContact C-N 3.3Å; L57-E59 PolarHBondContact O-N 3.41Å; L57-L60 PolarHBondContact O-N 3.07Å; L57-L61 WeakPolarHBondContact O-CB 3.26Å; L57-L61 PolarHBondContact O-N 3.37Å; L57-L75 HydrophobicContact CD1-CD1 3.99Å; L57-V78 HydrophobicContact CD1-CG1 4.14Å
58V91.9Very high90.6Very high37 Ų3764.4 Ų64.422%0.22432%0.324CS..Hα-helixtrans-72.2-20.8179.7168.40000113.2V45 N54 P55 K62V45-V58 HydrophobicContact CG1-CG2 3.77Å; N54-V58 WeakPolarHBondContact O-CB 3.3Å; N54-V58 WeakPolarHBondContact O-CG2 3.42Å; N54-V58 PolarHBondContact O-N 2.68Å; N54-V58 VanDerWaalsContact O-N 3.12Å; P55-V58 PolarHBondContact O-N 3.47Å; V58-K62 VanDerWaalsContact CG1-NZ 3.33Å; V58-K62 VanDerWaalsContact O-CD 3.26Å; V58-K62 WeakPolarHBondContact O-CD 3.34Å; V58-K62 WeakPolarHBondContact O-CE 3.32Å; V58-K62 WeakPolarHBondContact O-CG 3.46Å; V58-K62 PolarHBondContact O-NZ 2.85Å; V58-K62 VanDerWaalsContact O-NZ 3.13Å
59E91.3Very high90.5Very high117 Ų11766.7 Ų66.755%0.54733%0.333SS..Hα-helixtrans-80.9-52.9170.4-170.8159.4-124.900110.4P55 L57 L61 K62 E63P55-E59 VanDerWaalsContact O-CB 3.26Å; P55-E59 WeakPolarHBondContact O-CB 3.41Å; P55-E59 PolarHBondContact O-N 3.16Å; L57-E59 VanDerWaalsContact C-N 3.3Å; L57-E59 PolarHBondContact O-N 3.41Å; E59-L61 VanDerWaalsContact C-N 3.28Å; E59-L61 PolarHBondContact O-N 2.93Å; E59-K62 WeakPolarHBondContact O-CB 3.5Å; E59-K62 PolarHBondContact O-N 3.03Å; E59-E63 PolarHBondContact O-N 3.04Å
60L92.1Very high90.5Very high41 Ų4164.7 Ų64.722%0.21533%0.332CS..Hα-helixtrans-56.7-39.2177.8-175.160.2000112.7T56 L57 K62 E63 T64 L75 V78T56-L60 VanDerWaalsContact O-CB 3.24Å; T56-L60 WeakPolarHBondContact O-CB 3.2Å; T56-L60 PolarHBondContact O-N 2.99Å; L57-L60 PolarHBondContact O-N 3.07Å; L60-K62 PolarHBondContact O-N 3.36Å; L60-E63 PolarHBondContact O-N 3.44Å; L60-T64 WeakPolarHBondContact O-CB 3.48Å; L60-T64 PolarHBondContact O-N 3.19Å; L60-T64 PolarHBondContact O-OG1 2.77Å; L60-L75 HydrophobicContact CB-CD1 4.42Å; L60-L75 HydrophobicContact CD2-CB 4.36Å; L60-L75 HydrophobicContact CD2-CD1 4.19Å; L60-L75 HydrophobicContact CG-CB 4.41Å; L60-L75 HydrophobicContact CG-CD1 4.01Å; L60-V78 HydrophobicContact CD2-CB 4.11Å; L60-V78 HydrophobicContact CD2-CG1 4.45Å; L60-V78 HydrophobicContact CD2-CG2 3.95Å
61L91.8Very high90.5Very high31 Ų3164.9 Ų64.916%0.16234%0.335CS..Hα-helixtrans-61.3-24.9176.2-178.162.8000113.5V38 I41 V45 L57 E59 L75V38-L61 HydrophobicContact CG1-CD1 3.77Å; I41-L61 HydrophobicContact CG2-CD1 4.19Å; V45-L61 HydrophobicContact CB-CD2 4.33Å; V45-L61 HydrophobicContact CG1-CD2 4.22Å; L57-L61 WeakPolarHBondContact O-CB 3.26Å; L57-L61 PolarHBondContact O-N 3.37Å; E59-L61 VanDerWaalsContact C-N 3.28Å; E59-L61 PolarHBondContact O-N 2.93Å; L61-L75 HydrophobicContact CB-CD1 4.25Å; L61-L75 HydrophobicContact CD1-CD1 4.39Å; L61-L75 HydrophobicContact CD1-CD2 3.92Å
62K90.9Very high90.6Very high160 Ų16064.8 Ų64.870%0.69633%0.334SS*.Hα-helixtrans-88.8-31.5177.1-64.5164.6-170.4146.90112.8V58 E59 L60V58-K62 VanDerWaalsContact CG1-NZ 3.33Å; V58-K62 VanDerWaalsContact O-CD 3.26Å; V58-K62 WeakPolarHBondContact O-CD 3.34Å; V58-K62 WeakPolarHBondContact O-CE 3.32Å; V58-K62 WeakPolarHBondContact O-CG 3.46Å; V58-K62 PolarHBondContact O-NZ 2.85Å; V58-K62 VanDerWaalsContact O-NZ 3.13Å; E59-K62 WeakPolarHBondContact O-CB 3.5Å; E59-K62 PolarHBondContact O-N 3.03Å; L60-K62 PolarHBondContact O-N 3.36Å
63E91.4Very high90.8Very high154 Ų15463.2 Ų63.272%0.7232%0.323SS*.Hα-helixtrans-89.3-17.4-177.5-61.6-165.3148.100113.6E59 L60 D65E59-E63 PolarHBondContact O-N 3.04Å; L60-E63 PolarHBondContact O-N 3.44Å; E63-D65 PolarHBondContact O-N 2.76Å
64T90.7Very high91.1Very high14 Ų1461.8 Ų61.89%0.08632%0.315CS..  trans-63116.5-178-64.70000112.5V38 L60 R66 D71 V72 L75V38-T64 HydrophobicContact CG2-CG2 4.46Å; L60-T64 WeakPolarHBondContact O-CB 3.48Å; L60-T64 PolarHBondContact O-N 3.19Å; L60-T64 PolarHBondContact O-OG1 2.77Å; T64-R66 PolarHBondContact O-N 2.94Å; T64-D71 HydrophobicContact CG2-CB 4.27Å; T64-V72 HydrophobicContact CG2-CB 4.5Å; T64-V72 HydrophobicContact CG2-CG2 3.74Å; T64-L75 HydrophobicContact CG2-CB 4.42Å; T64-L75 HydrophobicContact CG2-CD2 4.08Å
65D88.5Confident91.3Very high77 Ų7759.6 Ų59.641%0.41230%0.303SS..  trans-69112.7168.3178.3-0000110.4E63 S67 S68E63-D65 PolarHBondContact O-N 2.76Å; D65-S67 VanDerWaalsContact CG-OG 3.26Å; D65-S67 PolarHBondContact O-N 2.9Å; D65-S67 VanDerWaalsContact O-N 3.1Å; D65-S67 WeakPolarHBondContact OD1-CA 3.45Å; D65-S67 WeakPolarHBondContact OD1-CB 3.38Å; D65-S67 PolarHBondContact OD1-N 2.94Å; D65-S67 PolarHBondContact OD1-OG 2.93Å; D65-S67 PolarHBondContact OD2-OG 3.45Å; D65-S67 VanDerWaalsContact OD2-OG 3.07Å; D65-S68 WeakPolarHBondContact O-CB 3.46Å; D65-S68 PolarHBondContact O-N 3.45Å
66R89.9Confident91.6Very high80 Ų8055.2 Ų55.230%0.30228%0.275SS..THydrogen-bonded Turntrans-63-12.7178.3-62.5-175.4172.8-143.3-4.8114.2V30 V38 D39 T64V30-R66 HydrophobicContact CG1-CB 4.05Å; V30-R66 HydrophobicContact CG2-CB 4.36Å; V38-R66 HydrophobicContact CB-CG 4.37Å; V38-R66 HydrophobicContact CG1-CG 4.45Å; V38-R66 HydrophobicContact CG2-CG 4.15Å; D39-R66 IonicContact OD1-CZ 3.35Å; D39-R66 VanDerWaalsContact OD1-CZ 3.25Å; D39-R66 IonicContact OD1-NH1 2.71Å; D39-R66 PolarHBondContact OD1-NH1 2.7Å; D39-R66 IonicContact OD1-NH2 3.2Å; D39-R66 PolarHBondContact OD1-NH2 2.89Å; D39-R66 IonicContact OD2-CZ 3.15Å; D39-R66 IonicContact OD2-NH1 2.67Å; D39-R66 PolarHBondContact OD2-NH1 3.16Å; D39-R66 IonicContact OD2-NH2 2.79Å; T64-R66 PolarHBondContact O-N 2.94Å
67S85.9Confident91.9Very high22 Ų2255.6 Ų55.615%0.15427%0.274CS..THydrogen-bonded Turntrans-93.8-9.6172.475.20000113.8E29 D65E29-S67 WeakPolarHBondContact O-CB 3.19Å; D65-S67 VanDerWaalsContact CG-OG 3.26Å; D65-S67 PolarHBondContact O-N 2.9Å; D65-S67 VanDerWaalsContact O-N 3.1Å; D65-S67 WeakPolarHBondContact OD1-CA 3.45Å; D65-S67 WeakPolarHBondContact OD1-CB 3.38Å; D65-S67 PolarHBondContact OD1-N 2.94Å; D65-S67 PolarHBondContact OD1-OG 2.93Å; D65-S67 PolarHBondContact OD2-OG 3.45Å; D65-S67 VanDerWaalsContact OD2-OG 3.07Å
68S89.5Confident92Very high24 Ų2458.2 Ų58.217%0.16829%0.289CS..  trans-98113-178.9-179.60000111.8D65 D70 D71 V72D65-S68 WeakPolarHBondContact O-CB 3.46Å; D65-S68 PolarHBondContact O-N 3.45Å; S68-D70 VanDerWaalsContact C-N 3.28Å; S68-D70 PolarHBondContact O-N 2.84Å; S68-D71 WeakPolarHBondContact CB-OD2 3.05Å; S68-D71 PolarHBondContact O-N 2.94Å; S68-D71 PolarHBondContact OG-N 2.85Å; S68-D71 PolarHBondContact OG-OD2 2.86Å; S68-V72 WeakPolarHBondContact O-CG2 3.24Å; S68-V72 PolarHBondContact O-N 2.96Å
69Y90.2Very high92.3Very high49 Ų4956.4 Ų56.419%0.19228%0.279CS..Hα-helixtrans-58.9-42.8172.9172.1-85.5000111.4R5 Q6 V7 W22 D71 V72 S73R5-Y69 HydrophobicContact CB-CD2 3.93Å; R5-Y69 HydrophobicContact CB-CE2 3.56Å; R5-Y69 HydrophobicContact CG-CD2 4.32Å; R5-Y69 HydrophobicContact CG-CE2 4.05Å; R5-Y69 VanDerWaalsContact NH1-CG 3.29Å; Q6-Y69 PolarHBondContact O-OH 2.74Å; V7-Y69 HydrophobicContact CG2-CD2 3.88Å; V7-Y69 HydrophobicContact CG2-CE2 3.4Å; W22-Y69 HydrophobicContact CB-CD2 3.81Å; W22-Y69 HydrophobicContact CB-CE2 4.17Å; W22-Y69 AromaticContact CD2-CD2 3.71Å; W22-Y69 HydrophobicContact CD2-CD2 3.71Å; W22-Y69 HydrophobicContact CD2-CG 4.36Å; W22-Y69 HydrophobicContact CE3-CD2 4.12Å; W22-Y69 AromaticContact CG-CD2 3.54Å; W22-Y69 HydrophobicContact CG-CD2 3.54Å; W22-Y69 HydrophobicContact CG-CE2 4.38Å; W22-Y69 HydrophobicContact CG-CG 4.41Å; W22-Y69 VanDerWaalsContact CZ2-N 3.3Å; Y69-D71 PolarHBondContact O-N 2.84Å; Y69-V72 PolarHBondContact O-N 3.04Å; Y69-S73 VanDerWaalsContact O-CB 3.25Å; Y69-S73 WeakPolarHBondContact O-CB 3.37Å; Y69-S73 PolarHBondContact O-N 2.95Å
70D91.4Very high92.5Very high88 Ų8851.6 Ų51.647%0.47126%0.257SS..Hα-helixtrans-69.3-26.6-170.4-55.3-29.9000110.3R5 S68 K74R5-D70 IonicContact CZ-OD1 2.74Å; R5-D70 IonicContact NH1-OD1 3.53Å; R5-D70 PolarHBondContact NH1-OD1 2.69Å; S68-D70 VanDerWaalsContact C-N 3.28Å; S68-D70 PolarHBondContact O-N 2.84Å; D70-K74 VanDerWaalsContact O-CD 3.32Å; D70-K74 WeakPolarHBondContact O-CD 3.3Å; D70-K74 WeakPolarHBondContact O-CE 3.26Å; D70-K74 WeakPolarHBondContact O-CG 3.43Å; D70-K74 PolarHBondContact O-N 2.94Å
71D92.3Very high92.7Very high50 Ų5055.8 Ų55.827%0.26727%0.273SS..Hα-helixtrans-86.8-40.1176-58.1-55.6000112.8T64 S68 Y69 S73 K74 L75T64-D71 HydrophobicContact CG2-CB 4.27Å; S68-D71 WeakPolarHBondContact CB-OD2 3.05Å; S68-D71 PolarHBondContact O-N 2.94Å; S68-D71 PolarHBondContact OG-N 2.85Å; S68-D71 PolarHBondContact OG-OD2 2.86Å; Y69-D71 PolarHBondContact O-N 2.84Å; D71-S73 VanDerWaalsContact C-N 3.28Å; D71-S73 PolarHBondContact O-N 3.35Å; D71-K74 PolarHBondContact O-N 3Å; D71-K74 IonicContact OD1-NZ 3.84Å; D71-K74 PolarHBondContact OD1-NZ 3.39Å; D71-L75 PolarHBondContact O-N 3.25Å
72V93.1Very high92.9Very high0 Ų054.8 Ų54.80%027%0.269CS..Hα-helixtrans-63.4-35.3171.6176.80000111.3W22 I37 V38 T64 S68 Y69 L75 C76W22-V72 HydrophobicContact CH2-CB 4.24Å; W22-V72 HydrophobicContact CH2-CG2 3.96Å; W22-V72 HydrophobicContact CZ3-CB 3.83Å; W22-V72 HydrophobicContact CZ3-CG1 3.96Å; W22-V72 HydrophobicContact CZ3-CG2 3.9Å; I37-V72 HydrophobicContact CB-CG1 4.2Å; I37-V72 HydrophobicContact CD1-CG1 4.36Å; I37-V72 HydrophobicContact CG2-CG1 3.87Å; V38-V72 HydrophobicContact CG2-CG1 4.23Å; V38-V72 HydrophobicContact CG2-CG2 3.82Å; T64-V72 HydrophobicContact CG2-CB 4.5Å; T64-V72 HydrophobicContact CG2-CG2 3.74Å; S68-V72 WeakPolarHBondContact O-CG2 3.24Å; S68-V72 PolarHBondContact O-N 2.96Å; Y69-V72 PolarHBondContact O-N 3.04Å; V72-L75 PolarHBondContact O-N 3.17Å; V72-C76 WeakPolarHBondContact O-CB 3.08Å; V72-C76 PolarHBondContact O-N 3.13Å; V72-C76 PolarHBondContact O-SG 3.02Å
73S94.5Very high93.1Very high24 Ų2447.1 Ų47.117%0.16824%0.236CC..Hα-helixtrans-61.5-49.5172.9-1670000111.2Y69 D71 L75 C76 D77Y69-S73 VanDerWaalsContact O-CB 3.25Å; Y69-S73 WeakPolarHBondContact O-CB 3.37Å; Y69-S73 PolarHBondContact O-N 2.95Å; D71-S73 VanDerWaalsContact C-N 3.28Å; D71-S73 PolarHBondContact O-N 3.35Å; S73-L75 VanDerWaalsContact C-N 3.32Å; S73-L75 PolarHBondContact O-N 3.41Å; S73-C76 PolarHBondContact O-N 3.08Å; S73-C76 VanDerWaalsContact O-N 3.13Å; S73-D77 VanDerWaalsContact O-CG 3.26Å; S73-D77 PolarHBondContact O-N 3.29Å; S73-D77 VanDerWaalsContact O-OD2 3.12Å
74K94.6Very high93.2Very high104 Ų10442.7 Ų42.745%0.45222%0.216SC..Hα-helixtrans-57.7-43.7176.2-67.4160.5-155.3158.80111.9D70 D71 C76 D77 V78D70-K74 VanDerWaalsContact O-CD 3.32Å; D70-K74 WeakPolarHBondContact O-CD 3.3Å; D70-K74 WeakPolarHBondContact O-CE 3.26Å; D70-K74 WeakPolarHBondContact O-CG 3.43Å; D70-K74 PolarHBondContact O-N 2.94Å; D71-K74 PolarHBondContact O-N 3Å; D71-K74 IonicContact OD1-NZ 3.84Å; D71-K74 PolarHBondContact OD1-NZ 3.39Å; K74-C76 VanDerWaalsContact C-N 3.33Å; K74-C76 PolarHBondContact O-N 2.83Å; K74-D77 PolarHBondContact O-N 3.31Å; K74-V78 WeakPolarHBondContact O-CG2 3.38Å; K74-V78 PolarHBondContact O-N 3.41Å
75L95.7Very high93.4Very high0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-58.9-46.2176.3176.364.6000110.9V38 I41 L57 L60 L61 T64 D71 V72 S73 Y79V38-L75 HydrophobicContact CG1-CD2 4.03Å; V38-L75 HydrophobicContact CG2-CD2 4.22Å; I41-L75 HydrophobicContact CD1-CD2 4.36Å; I41-L75 HydrophobicContact CD1-CG 4.11Å; I41-L75 HydrophobicContact CG2-CD1 4.38Å; I41-L75 HydrophobicContact CG2-CG 4.43Å; L57-L75 HydrophobicContact CD1-CD1 3.99Å; L60-L75 HydrophobicContact CB-CD1 4.42Å; L60-L75 HydrophobicContact CD2-CB 4.36Å; L60-L75 HydrophobicContact CD2-CD1 4.19Å; L60-L75 HydrophobicContact CG-CB 4.41Å; L60-L75 HydrophobicContact CG-CD1 4.01Å; L61-L75 HydrophobicContact CB-CD1 4.25Å; L61-L75 HydrophobicContact CD1-CD1 4.39Å; L61-L75 HydrophobicContact CD1-CD2 3.92Å; T64-L75 HydrophobicContact CG2-CB 4.42Å; T64-L75 HydrophobicContact CG2-CD2 4.08Å; D71-L75 PolarHBondContact O-N 3.25Å; V72-L75 PolarHBondContact O-N 3.17Å; S73-L75 VanDerWaalsContact C-N 3.32Å; S73-L75 PolarHBondContact O-N 3.41Å; L75-Y79 WeakPolarHBondContact O-CB 3.39Å; L75-Y79 PolarHBondContact O-N 2.88Å
76C96Very high93.6Very high0 Ų043.2 Ų43.20%022%0.219CC..Hα-helixtrans-65.9-39.9177.3-64.80000112.2V7 I41 V72 S73 K74 Y79 N80V7-C76 HydrophobicContact CG1-CB 3.51Å; V7-C76 WeakPolarHBondContact CG1-SG 3.3Å; I41-C76 HydrophobicContact CD1-CB 4.4Å; I41-C76 VanDerWaalsContact CD1-SG 3.52Å; V72-C76 WeakPolarHBondContact O-CB 3.08Å; V72-C76 PolarHBondContact O-N 3.13Å; V72-C76 PolarHBondContact O-SG 3.02Å; S73-C76 PolarHBondContact O-N 3.08Å; S73-C76 VanDerWaalsContact O-N 3.13Å; K74-C76 VanDerWaalsContact C-N 3.33Å; K74-C76 PolarHBondContact O-N 2.83Å; C76-Y79 PolarHBondContact O-N 3.04Å; C76-N80 WeakPolarHBondContact O-CB 3.38Å; C76-N80 PolarHBondContact O-N 2.79Å; C76-N80 PolarHBondContact O-ND2 3.03Å
77D95.5Very high93.8Very high96 Ų9639.5 Ų39.551%0.51321%0.205SC..Hα-helixtrans-64.3-43.6177.8-67.3-38.2000111.9S73 K74 K81S73-D77 VanDerWaalsContact O-CG 3.26Å; S73-D77 PolarHBondContact O-N 3.29Å; S73-D77 VanDerWaalsContact O-OD2 3.12Å; K74-D77 PolarHBondContact O-N 3.31Å; D77-K81 PolarHBondContact O-N 3.31Å
78V95.1Very high94.1Very high54 Ų5441.5 Ų41.533%0.32721%0.214SC..Hα-helixtrans-66.5-43.4175.5174.80000111.3L57 L60 K74 A82L57-V78 HydrophobicContact CD1-CG1 4.14Å; L60-V78 HydrophobicContact CD2-CB 4.11Å; L60-V78 HydrophobicContact CD2-CG1 4.45Å; L60-V78 HydrophobicContact CD2-CG2 3.95Å; K74-V78 WeakPolarHBondContact O-CG2 3.38Å; K74-V78 PolarHBondContact O-N 3.41Å; V78-A82 WeakPolarHBondContact O-CB 3.32Å; V78-A82 PolarHBondContact O-N 3.26Å
79Y97Very high94.2Very high0 Ų043.5 Ų43.50%022%0.221CC..Hα-helixtrans-60.3-49.6174.6165.7-87.3000111.9V9 I10 I41 V44 M51 L75 C76 K81 A82 I83V9-Y79 HydrophobicContact CB-CE1 4.43Å; V9-Y79 HydrophobicContact CG1-CD1 3.84Å; V9-Y79 HydrophobicContact CG1-CE1 3.27Å; I10-Y79 VanDerWaalsContact O-CE1 3.26Å; I10-Y79 WeakPolarHBondContact O-CE1 3.4Å; I10-Y79 PolarHBondContact O-OH 3.41Å; I41-Y79 HydrophobicContact CB-CD2 4.35Å; I41-Y79 HydrophobicContact CD1-CD1 4.29Å; I41-Y79 HydrophobicContact CD1-CD2 4.49Å; I41-Y79 HydrophobicContact CD1-CG 4.02Å; I41-Y79 HydrophobicContact CG1-CD1 4.25Å; I41-Y79 HydrophobicContact CG1-CD2 4Å; I41-Y79 HydrophobicContact CG1-CE2 4.32Å; I41-Y79 HydrophobicContact CG1-CG 3.97Å; I41-Y79 HydrophobicContact CG2-CD2 3.77Å; I41-Y79 HydrophobicContact CG2-CE2 4.44Å; I41-Y79 HydrophobicContact CG2-CG 4.24Å; V44-Y79 HydrophobicContact CB-CE2 3.94Å; V44-Y79 HydrophobicContact CG1-CE2 3.76Å; M51-Y79 HydrophobicContact CE-CD2 3.35Å; M51-Y79 HydrophobicContact CE-CE2 3.57Å; M51-Y79 HydrophobicContact CE-CG 4.24Å; L75-Y79 WeakPolarHBondContact O-CB 3.39Å; L75-Y79 PolarHBondContact O-N 2.88Å; C76-Y79 PolarHBondContact O-N 3.04Å; Y79-K81 VanDerWaalsContact C-N 3.3Å; Y79-K81 PolarHBondContact O-N 2.71Å; Y79-A82 PolarHBondContact O-N 2.8Å; Y79-A82 VanDerWaalsContact O-N 3.13Å; Y79-I83 HydrophobicContact CD1-CG1 4.36Å; Y79-I83 HydrophobicContact CD2-CG1 4.37Å; Y79-I83 HydrophobicContact CE1-CG1 3.77Å; Y79-I83 HydrophobicContact CE2-CD1 4.12Å; Y79-I83 HydrophobicContact CE2-CG1 3.83Å; Y79-I83 VanDerWaalsContact CZ-CG1 3.49Å; Y79-I83 PolarHBondContact O-N 2.88Å
80N97.1Very high94.4Very high16 Ų1641.6 Ų41.69%0.08621%0.214CC..Hα-helixtrans-61.5-40.8-177.8-74.4-28.4000111S8 V9 I10 C76 I83 I84S8-N80 PolarHBondContact O-ND2 2.8Å; V9-N80 WeakPolarHBondContact CA-OD1 3.33Å; I10-N80 HydrophobicContact CD1-CB 3.86Å; I10-N80 HydrophobicContact CG1-CB 4.26Å; I10-N80 WeakPolarHBondContact CG1-OD1 3.13Å; I10-N80 PolarHBondContact N-OD1 2.95Å; C76-N80 WeakPolarHBondContact O-CB 3.38Å; C76-N80 PolarHBondContact O-N 2.79Å; C76-N80 PolarHBondContact O-ND2 3.03Å; N80-I83 PolarHBondContact O-N 3.23Å; N80-I84 WeakPolarHBondContact O-CG1 3.34Å; N80-I84 PolarHBondContact O-N 3.44Å
81K95.5Very high94.3Very high128 Ų12839.3 Ų39.356%0.55720%0.201SC*.Hα-helixtrans-62.8-48.5173.7-164.1-157169.7-148.30111.2D77 Y79 I83 I84 D85D77-K81 PolarHBondContact O-N 3.31Å; Y79-K81 VanDerWaalsContact C-N 3.3Å; Y79-K81 PolarHBondContact O-N 2.71Å; K81-I83 VanDerWaalsContact C-N 3.3Å; K81-I83 PolarHBondContact O-N 3.37Å; K81-I84 WeakPolarHBondContact O-CB 3.17Å; K81-I84 PolarHBondContact O-N 3.48Å; K81-D85 VanDerWaalsContact CE-OD2 3.22Å; K81-D85 WeakPolarHBondContact CE-OD2 3.05Å; K81-D85 IonicContact NZ-OD2 3.71Å; K81-D85 PolarHBondContact NZ-OD2 2.94Å; K81-D85 VanDerWaalsContact O-CG 3.27Å; K81-D85 PolarHBondContact O-N 2.89Å
82A95.2Very high94.3Very high10 Ų1045.1 Ų45.18%0.08323%0.227CC..Hα-helixtrans-60.4-37.9179.500000112.6M51 V78 Y79 D85 L86M51-A82 HydrophobicContact CE-CB 3.99Å; M51-A82 HydrophobicContact SD-CB 3.65Å; V78-A82 WeakPolarHBondContact O-CB 3.32Å; V78-A82 PolarHBondContact O-N 3.26Å; Y79-A82 PolarHBondContact O-N 2.8Å; Y79-A82 VanDerWaalsContact O-N 3.13Å; A82-D85 PolarHBondContact O-N 3Å; A82-L86 WeakPolarHBondContact O-CB 3.44Å; A82-L86 VanDerWaalsContact O-CG 3.27Å; A82-L86 WeakPolarHBondContact O-CG 3.29Å; A82-L86 PolarHBondContact O-N 2.9Å
83I95.3Very high94.3Very high0 Ų051 Ų510%025%0.254CS..Hα-helixtrans-65.1-41172.4-67.1-60.9000111.9I10 P12 V44 M51 Y79 N80 K81 L86 W87I10-I83 HydrophobicContact CB-CG2 4.2Å; I10-I83 HydrophobicContact CG2-CG2 3.68Å; P12-I83 HydrophobicContact CB-CD1 4Å; V44-I83 HydrophobicContact CG1-CD1 4.24Å; M51-I83 HydrophobicContact CE-CD1 3.63Å; M51-I83 HydrophobicContact CE-CG1 3.83Å; M51-I83 HydrophobicContact CG-CD1 4.13Å; M51-I83 HydrophobicContact SD-CD1 3.92Å; M51-I83 HydrophobicContact SD-CG1 4.48Å; Y79-I83 HydrophobicContact CD1-CG1 4.36Å; Y79-I83 HydrophobicContact CD2-CG1 4.37Å; Y79-I83 HydrophobicContact CE1-CG1 3.77Å; Y79-I83 HydrophobicContact CE2-CD1 4.12Å; Y79-I83 HydrophobicContact CE2-CG1 3.83Å; Y79-I83 VanDerWaalsContact CZ-CG1 3.49Å; Y79-I83 PolarHBondContact O-N 2.88Å; N80-I83 PolarHBondContact O-N 3.23Å; K81-I83 VanDerWaalsContact C-N 3.3Å; K81-I83 PolarHBondContact O-N 3.37Å; I83-L86 PolarHBondContact O-N 2.86Å; I83-W87 WeakPolarHBondContact O-CB 3.47Å; I83-W87 VanDerWaalsContact O-CD1 3.3Å; I83-W87 PolarHBondContact O-N 3.3Å
84I95Very high94Very high60 Ų6056 Ų5631%0.30828%0.279SS..Hα-helixtrans-62-50174.9-73.8164.2000110.8I10 N80 K81 L86 W87 D88I10-I84 HydrophobicContact CD1-CD1 3.77Å; I10-I84 HydrophobicContact CD1-CG1 3.96Å; N80-I84 WeakPolarHBondContact O-CG1 3.34Å; N80-I84 PolarHBondContact O-N 3.44Å; K81-I84 WeakPolarHBondContact O-CB 3.17Å; K81-I84 PolarHBondContact O-N 3.48Å; I84-L86 VanDerWaalsContact C-N 3.26Å; I84-L86 PolarHBondContact O-N 2.93Å; I84-W87 PolarHBondContact O-N 3.05Å; I84-W87 VanDerWaalsContact O-N 3.13Å; I84-D88 PolarHBondContact O-N 3.44Å
85D94.1Very high93.7Very high82 Ų8253.5 Ų53.544%0.43927%0.272SS..Hα-helixtrans-57.7-38.5179.3-64.9-15.8000110.6K81 A82 M89K81-D85 VanDerWaalsContact CE-OD2 3.22Å; K81-D85 WeakPolarHBondContact CE-OD2 3.05Å; K81-D85 IonicContact NZ-OD2 3.71Å; K81-D85 PolarHBondContact NZ-OD2 2.94Å; K81-D85 VanDerWaalsContact O-CG 3.27Å; K81-D85 PolarHBondContact O-N 2.89Å; A82-D85 PolarHBondContact O-N 3Å; D85-M89 WeakPolarHBondContact O-CB 3.45Å; D85-M89 PolarHBondContact O-N 3.06Å
86L93.6Very high93.2Very high20 Ų2058 Ų5811%0.10530%0.3CS..Hα-helixtrans-72.4-38.7174.6-71.8176.2000114.1V48 E50 M51 A82 I83 I84 D88 M89 W90V48-L86 HydrophobicContact CG1-CD1 4.41Å; E50-L86 HydrophobicContact CB-CD1 3.88Å; E50-L86 HydrophobicContact CB-CD2 3.54Å; E50-L86 HydrophobicContact CB-CG 4.39Å; E50-L86 HydrophobicContact CG-CD2 4.02Å; M51-L86 HydrophobicContact CG-CD1 3.68Å; M51-L86 HydrophobicContact SD-CD1 3.6Å; A82-L86 WeakPolarHBondContact O-CB 3.44Å; A82-L86 VanDerWaalsContact O-CG 3.27Å; A82-L86 WeakPolarHBondContact O-CG 3.29Å; A82-L86 PolarHBondContact O-N 2.9Å; I83-L86 PolarHBondContact O-N 2.86Å; I84-L86 VanDerWaalsContact C-N 3.26Å; I84-L86 PolarHBondContact O-N 2.93Å; L86-D88 VanDerWaalsContact C-N 3.34Å; L86-M89 HydrophobicContact CD2-CE 3.63Å; L86-M89 HydrophobicContact CD2-SD 4.33Å; L86-M89 WeakPolarHBondContact O-CB 3.5Å; L86-M89 PolarHBondContact O-N 3.47Å; L86-W90 HydrophobicContact CB-CD2 4.49Å; L86-W90 HydrophobicContact CB-CH2 4.03Å; L86-W90 HydrophobicContact CB-CZ2 4Å; L86-W90 HydrophobicContact CB-CZ3 4.31Å; L86-W90 HydrophobicContact CD1-CH2 4.33Å; L86-W90 HydrophobicContact CD1-CZ2 4.22Å; L86-W90 VanDerWaalsContact O-CD2 3.23Å; L86-W90 VanDerWaalsContact O-CG 3.22Å; L86-W90 PolarHBondContact O-N 3.36Å
87W92.8Very high92.9Very high2 Ų258.6 Ų58.61%0.00830%0.304CS..Hα-helixtrans-63.6-41.5177.6-99.284.8000112.2P12 R15 I83 I84 W90 I91 F513 C514 I517P12-W87 PolarHBondContact O-NE1 2.79Å; R15-W87 HydrophobicContact CB-CD2 4.01Å; R15-W87 HydrophobicContact CB-CE3 4.45Å; R15-W87 HydrophobicContact CB-CG 4.45Å; R15-W87 HydrophobicContact CB-CH2 4.41Å; R15-W87 HydrophobicContact CB-CZ2 4.01Å; R15-W87 HydrophobicContact CG-CD2 4.17Å; R15-W87 HydrophobicContact CG-CG 4.15Å; I83-W87 WeakPolarHBondContact O-CB 3.47Å; I83-W87 VanDerWaalsContact O-CD1 3.3Å; I83-W87 PolarHBondContact O-N 3.3Å; I84-W87 PolarHBondContact O-N 3.05Å; I84-W87 VanDerWaalsContact O-N 3.13Å; W87-W90 AromaticContact CD1-CZ3 3.92Å; W87-W90 HydrophobicContact CD2-CE3 4.48Å; W87-W90 HydrophobicContact CG-CE3 4.29Å; W87-W90 HydrophobicContact CG-CZ3 4.43Å; W87-W90 AromaticContact NE1-CZ3 3.95Å; W87-W90 PolarHBondContact O-N 2.87Å; W87-I91 HydrophobicContact CE3-CD1 4.19Å; W87-I91 WeakPolarHBondContact O-CD1 3.48Å; W87-I91 VanDerWaalsContact O-CG1 3.26Å; W87-I91 WeakPolarHBondContact O-CG1 3.39Å; W87-I91 PolarHBondContact O-N 2.94Å; W87-F513 HydrophobicContact CE3-CD1 4.26Å; W87-F513 HydrophobicContact CE3-CE1 4.2Å; W87-F513 AromaticContact CZ3-CD1 3.75Å; W87-F513 HydrophobicContact CZ3-CD1 3.75Å; W87-F513 AromaticContact CZ3-CE1 3.8Å; W87-F513 HydrophobicContact CZ3-CE1 3.8Å; W87-C514 WeakPolarHBondContact CZ3-SG 3.2Å; W87-I517 HydrophobicContact CH2-CD1 3.57Å; W87-I517 HydrophobicContact CH2-CG2 4.34Å; W87-I517 HydrophobicContact CZ2-CD1 4.38Å; W87-I517 HydrophobicContact CZ3-CD1 4.01Å
88D92.8Very high92.5Very high65 Ų6560.6 Ų60.635%0.34831%0.31SS..Hα-helixtrans-70.8-36.9179.9-63.2-24.9000110.2R15 I84 L86 I91 E92R15-D88 IonicContact CZ-OD1 2.93Å; R15-D88 IonicContact NH1-OD1 2.59Å; R15-D88 PolarHBondContact NH1-OD1 3.44Å; R15-D88 VanDerWaalsContact NH2-CG 3.33Å; R15-D88 IonicContact NH2-OD1 2.8Å; R15-D88 PolarHBondContact NH2-OD1 3.13Å; R15-D88 IonicContact NH2-OD2 3.99Å; R15-D88 PolarHBondContact NH2-OD2 3.37Å; R15-D88 VanDerWaalsContact NH2-OD2 3.15Å; I84-D88 PolarHBondContact O-N 3.44Å; L86-D88 VanDerWaalsContact C-N 3.34Å; D88-I91 PolarHBondContact O-N 2.89Å; D88-E92 WeakPolarHBondContact O-CG 3.46Å; D88-E92 PolarHBondContact O-N 3.33Å
89M92.3Very high92.2Very high65 Ų6558.2 Ų58.232%0.3230%0.295SS..Hα-helixtrans-59.1-48.7168.5-178.6-168.67700113.1D85 L86 I91 E92 E93D85-M89 WeakPolarHBondContact O-CB 3.45Å; D85-M89 PolarHBondContact O-N 3.06Å; L86-M89 HydrophobicContact CD2-CE 3.63Å; L86-M89 HydrophobicContact CD2-SD 4.33Å; L86-M89 WeakPolarHBondContact O-CB 3.5Å; L86-M89 PolarHBondContact O-N 3.47Å; M89-I91 VanDerWaalsContact C-N 3.27Å; M89-I91 PolarHBondContact O-N 3.03Å; M89-E92 PolarHBondContact O-N 3.02Å; M89-E93 PolarHBondContact O-N 2.92Å
90W92.5Very high91.7Very high9 Ų959.1 Ų59.13%0.03430%0.299CS..Hα-helixtrans-64.2-31.5179.3-64.8-34.4000112.8V48 L86 W87 N94 T95 P97 F99 F513V48-W90 HydrophobicContact CG1-CH2 4.31Å; V48-W90 HydrophobicContact CG1-CZ2 4.3Å; L86-W90 HydrophobicContact CB-CD2 4.49Å; L86-W90 HydrophobicContact CB-CH2 4.03Å; L86-W90 HydrophobicContact CB-CZ2 4Å; L86-W90 HydrophobicContact CB-CZ3 4.31Å; L86-W90 HydrophobicContact CD1-CH2 4.33Å; L86-W90 HydrophobicContact CD1-CZ2 4.22Å; L86-W90 VanDerWaalsContact O-CD2 3.23Å; L86-W90 VanDerWaalsContact O-CG 3.22Å; L86-W90 PolarHBondContact O-N 3.36Å; W87-W90 AromaticContact CD1-CZ3 3.92Å; W87-W90 HydrophobicContact CD2-CE3 4.48Å; W87-W90 HydrophobicContact CG-CE3 4.29Å; W87-W90 HydrophobicContact CG-CZ3 4.43Å; W87-W90 AromaticContact NE1-CZ3 3.95Å; W87-W90 PolarHBondContact O-N 2.87Å; W90-N94 CarbonylContact O-C 3.21Å; W90-N94 VanDerWaalsContact O-CA 3.28Å; W90-N94 WeakPolarHBondContact O-CA 3.18Å; W90-N94 PolarHBondContact O-N 3.06Å; W90-T95 PolarHBondContact O-N 2.76Å; W90-P97 HydrophobicContact CD2-CG 3.55Å; W90-P97 HydrophobicContact CE3-CG 3.64Å; W90-P97 HydrophobicContact CG-CG 4.12Å; W90-P97 HydrophobicContact CH2-CB 4.38Å; W90-P97 HydrophobicContact CH2-CG 4.02Å; W90-P97 HydrophobicContact CZ2-CB 4.11Å; W90-P97 HydrophobicContact CZ2-CG 3.91Å; W90-P97 HydrophobicContact CZ3-CG 3.88Å; W90-F99 AromaticContact CH2-CE1 3.62Å; W90-F99 HydrophobicContact CH2-CE1 3.62Å; W90-F99 AromaticContact CH2-CZ 3.97Å; W90-F99 HydrophobicContact CH2-CZ 3.97Å; W90-F99 HydrophobicContact CZ2-CE1 4.03Å; W90-F99 HydrophobicContact CZ3-CE1 4.36Å; W90-F99 HydrophobicContact CZ3-CZ 4.33Å; W90-F513 HydrophobicContact CB-CE1 4.43Å; W90-F513 HydrophobicContact CB-CZ 4.37Å
91I91.1Very high91.2Very high41 Ų4161.6 Ų61.621%0.2131%0.312CS..Hα-helixtrans-70.6-44.3173-70.4164.7000110.9W87 D88 M89 N94 F513W87-I91 HydrophobicContact CE3-CD1 4.19Å; W87-I91 WeakPolarHBondContact O-CD1 3.48Å; W87-I91 VanDerWaalsContact O-CG1 3.26Å; W87-I91 WeakPolarHBondContact O-CG1 3.39Å; W87-I91 PolarHBondContact O-N 2.94Å; D88-I91 PolarHBondContact O-N 2.89Å; M89-I91 VanDerWaalsContact C-N 3.27Å; M89-I91 PolarHBondContact O-N 3.03Å; I91-N94 PolarHBondContact O-N 3.39Å; I91-F513 HydrophobicContact CD1-CD1 4.35Å; I91-F513 HydrophobicContact CG1-CB 4.25Å; I91-F513 HydrophobicContact CG1-CD1 3.56Å; I91-F513 HydrophobicContact CG1-CE1 4.15Å; I91-F513 HydrophobicContact CG1-CG 4.08Å
92E92Very high90.9Very high172 Ų17259.7 Ų59.780%0.80430%0.301SS*.Hα-helixtrans-66.4-39.7178.9-75.6-175.6179.400113.1D88 M89D88-E92 WeakPolarHBondContact O-CG 3.46Å; D88-E92 PolarHBondContact O-N 3.33Å; M89-E92 PolarHBondContact O-N 3.02Å
93E91.7Very high90.8Very high123 Ų12361.8 Ų61.858%0.57531%0.309SS*.Hα-helixtrans-81.1-13.6175.5-64.6-170.2150.900113.6M89 T95M89-E93 PolarHBondContact O-N 2.92Å; E93-T95 VanDerWaalsContact C-N 3.28Å; E93-T95 HydrophobicContact CB-CG2 3.73Å; E93-T95 PolarHBondContact O-N 2.99Å; E93-T95 PolarHBondContact OE2-OG1 2.83Å
94N89.8Confident90.7Very high129 Ų12962.5 Ų62.569%0.6931%0.314SS*.THydrogen-bonded Turntrans51.745.7-167.5-174.886.2000111.8W90 I91W90-N94 CarbonylContact O-C 3.21Å; W90-N94 VanDerWaalsContact O-CA 3.28Å; W90-N94 WeakPolarHBondContact O-CA 3.18Å; W90-N94 PolarHBondContact O-N 3.06Å; I91-N94 PolarHBondContact O-N 3.39Å
95T87.2Confident90.7Very high51 Ų5162.6 Ų62.631%0.31332%0.32SS..PPolyproline II helixtrans-101.2135.4-17945.20000111.7W90 E93 F513W90-T95 PolarHBondContact O-N 2.76Å; E93-T95 VanDerWaalsContact C-N 3.28Å; E93-T95 HydrophobicContact CB-CG2 3.73Å; E93-T95 PolarHBondContact O-N 2.99Å; E93-T95 PolarHBondContact OE2-OG1 2.83Å; T95-F513 WeakPolarHBondContact O-CZ 3.41Å
96V86.5Confident90.6Very high96 Ų9663.6 Ų63.658%0.58232%0.318SS*.PPolyproline II helixtrans-91.8124.9172.8-179.50000108.5F100V96-F100 HydrophobicContact CG1-CD1 4.24Å
97P87.8Confident90.5Very high12 Ų1267.6 Ų67.68%0.07834%0.34CS..PPolyproline II helixtrans-66.3141-175.2-23.234.5000113.7W90 F99 F100W90-P97 HydrophobicContact CD2-CG 3.55Å; W90-P97 HydrophobicContact CE3-CG 3.64Å; W90-P97 HydrophobicContact CG-CG 4.12Å; W90-P97 HydrophobicContact CH2-CB 4.38Å; W90-P97 HydrophobicContact CH2-CG 4.02Å; W90-P97 HydrophobicContact CZ2-CB 4.11Å; W90-P97 HydrophobicContact CZ2-CG 3.91Å; W90-P97 HydrophobicContact CZ3-CG 3.88Å; P97-F99 HydrophobicContact CB-CD1 3.54Å; P97-F99 HydrophobicContact CB-CE1 3.21Å; P97-F99 HydrophobicContact CB-CG 4.45Å; P97-F99 HydrophobicContact CB-CZ 3.9Å; P97-F99 HydrophobicContact CG-CE1 3.96Å; P97-F99 HydrophobicContact CG-CZ 4.3Å; P97-F99 PolarHBondContact O-N 2.91Å; P97-F99 VanDerWaalsContact O-N 3.12Å; P97-F100 HydrophobicContact CB-CB 4.49Å; P97-F100 VanDerWaalsContact O-CB 3.29Å; P97-F100 WeakPolarHBondContact O-CB 3.41Å; P97-F100 PolarHBondContact O-N 3.42Å
98E87.1Confident90.6Very high137 Ų13767.6 Ų67.664%0.6434%0.34SS*.THydrogen-bonded Turntrans-62.8-23.4-175.5-160.1-155.4112.900113.9R49 F100 R102R49-E98 IonicContact NH1-OE2 2.71Å; E98-F100 VanDerWaalsContact C-N 3.34Å; E98-R102 IonicContact OE1-NH1 3.87Å; E98-R102 PolarHBondContact OE1-NH1 2.94Å; E98-R102 VanDerWaalsContact OE1-NH1 3.17Å
99F89.8Confident90.7Very high4 Ų464.5 Ų64.52%0.01832%0.323CS..THydrogen-bonded Turntrans-80.8-14.5177.673.3-94.5000113.4P12 A13 D47 V48 W90 P97 R102 K213P12-F99 HydrophobicContact CB-CE2 4.09Å; P12-F99 HydrophobicContact CB-CZ 3.92Å; P12-F99 HydrophobicContact CG-CE2 4.38Å; A13-F99 HydrophobicContact CB-CE2 4.22Å; D47-F99 WeakPolarHBondContact OD2-CB 3.32Å; V48-F99 HydrophobicContact CB-CD1 4.24Å; V48-F99 HydrophobicContact CB-CE1 4.34Å; V48-F99 HydrophobicContact CG1-CD1 4.09Å; V48-F99 HydrophobicContact CG1-CE1 3.89Å; V48-F99 HydrophobicContact CG2-CD1 3.69Å; V48-F99 HydrophobicContact CG2-CD2 4.31Å; V48-F99 HydrophobicContact CG2-CE1 3.66Å; V48-F99 HydrophobicContact CG2-CE2 4.31Å; V48-F99 HydrophobicContact CG2-CG 4.03Å; V48-F99 HydrophobicContact CG2-CZ 4.01Å; W90-F99 AromaticContact CH2-CE1 3.62Å; W90-F99 HydrophobicContact CH2-CE1 3.62Å; W90-F99 AromaticContact CH2-CZ 3.97Å; W90-F99 HydrophobicContact CH2-CZ 3.97Å; W90-F99 HydrophobicContact CZ2-CE1 4.03Å; W90-F99 HydrophobicContact CZ3-CE1 4.36Å; W90-F99 HydrophobicContact CZ3-CZ 4.33Å; P97-F99 HydrophobicContact CB-CD1 3.54Å; P97-F99 HydrophobicContact CB-CE1 3.21Å; P97-F99 HydrophobicContact CB-CG 4.45Å; P97-F99 HydrophobicContact CB-CZ 3.9Å; P97-F99 HydrophobicContact CG-CE1 3.96Å; P97-F99 HydrophobicContact CG-CZ 4.3Å; P97-F99 PolarHBondContact O-N 2.91Å; P97-F99 VanDerWaalsContact O-N 3.12Å; F99-R102 WeakPolarHBondContact O-CB 3.23Å; F99-K213 PolarHBondContact O-NZ 2.69Å
100F87.4Confident90.8Very high19 Ų1966.2 Ų66.28%0.08333%0.33CS..THydrogen-bonded Turntrans-80.4134.4-172.4-172.7-95.1000111.9A13 V96 P97 E98 R102 I517 L520 L521A13-F100 HydrophobicContact CB-CD2 4.11Å; A13-F100 HydrophobicContact CB-CE2 4.23Å; V96-F100 HydrophobicContact CG1-CD1 4.24Å; P97-F100 HydrophobicContact CB-CB 4.49Å; P97-F100 VanDerWaalsContact O-CB 3.29Å; P97-F100 WeakPolarHBondContact O-CB 3.41Å; P97-F100 PolarHBondContact O-N 3.42Å; E98-F100 VanDerWaalsContact C-N 3.34Å; F100-R102 PolarHBondContact O-N 2.8Å; F100-I517 HydrophobicContact CE1-CG1 4.4Å; F100-I517 HydrophobicContact CE2-CG1 4.38Å; F100-I517 HydrophobicContact CE2-CG2 3.81Å; F100-I517 HydrophobicContact CZ-CB 4.21Å; F100-I517 HydrophobicContact CZ-CG1 4.09Å; F100-I517 HydrophobicContact CZ-CG2 3.8Å; F100-L520 HydrophobicContact CE1-CB 4.03Å; F100-L520 HydrophobicContact CE1-CD1 4.26Å; F100-L520 HydrophobicContact CZ-CB 4.4Å; F100-L521 HydrophobicContact CE2-CD1 4.14Å; F100-L521 HydrophobicContact CE2-CD2 4.15Å; F100-L521 HydrophobicContact CE2-CG 4.27Å; F100-L521 HydrophobicContact CZ-CD1 4.14Å; F100-L521 HydrophobicContact CZ-CD2 4.02Å; F100-L521 HydrophobicContact CZ-CG 3.89Å
101N84.6Confident90.8Very high68 Ų6867.1 Ų67.136%0.36434%0.335SS..THydrogen-bonded Turntrans54.617.1-170.6-113.7-32.3000114.4G212 S214 L520N101-G212 PolarHBondContact N-O 3.35Å; N101-S214 WeakPolarHBondContact O-CB 3.44Å; N101-S214 PolarHBondContact O-OG 3.26Å; N101-S214 WeakPolarHBondContact OD1-CB 3.39Å; N101-L520 PolarHBondContact ND2-O 3.04Å
102R90.9Very high91Very high88 Ų8865.2 Ų65.233%0.33233%0.325SS..BIsolated β-bridgetrans-79.3143.8168.2-168168.372.9-161.7-1.8108.8D47 E98 F99 F100 K213 S214D47-R102 PolarHBondContact O-NH2 3.42Å; D47-R102 IonicContact OD1-CZ 2.69Å; D47-R102 IonicContact OD1-NH2 3.69Å; D47-R102 PolarHBondContact OD1-NH2 2.81Å; D47-R102 IonicContact OD2-NH2 2.71Å; E98-R102 IonicContact OE1-NH1 3.87Å; E98-R102 PolarHBondContact OE1-NH1 2.94Å; E98-R102 VanDerWaalsContact OE1-NH1 3.17Å; F99-R102 WeakPolarHBondContact O-CB 3.23Å; F100-R102 PolarHBondContact O-N 2.8Å; R102-K213 WeakPolarHBondContact O-CA 3.43Å; R102-K213 WeakPolarHBondContact O-CD 3.34Å; R102-S214 PolarHBondContact O-N 2.86Å
103K92.4Very high91.1Very high55 Ų5557.9 Ų57.924%0.23929%0.291CS..PPolyproline II helixtrans-61.6144.2167.1-78.5-177.1165.6-177.70110.8T179 D180 S214K103-T179 PolarHBondContact NZ-O 3.48Å; K103-D180 WeakPolarHBondContact CE-OD1 3.29Å; K103-D180 IonicContact NZ-OD1 2.72Å; K103-D180 PolarHBondContact NZ-OD1 3.13Å; K103-D180 IonicContact NZ-OD2 3.9Å; K103-D180 PolarHBondContact NZ-OD2 2.89Å; K103-S214 WeakPolarHBondContact CG-OG 3.43Å; K103-S214 PolarHBondContact N-OG 2.97Å
104A93.8Very high91Very high14 Ų1456.7 Ų56.712%0.11629%0.288CS..PPolyproline II helixtrans-67.2150.6169.900000111.2H108 V109 K213A104-H108 HydrophobicContact CB-CB 4.21Å; A104-V109 HydrophobicContact CB-CG2 3.59Å; A104-K213 HydrophobicContact CB-CB 4.38Å; A104-K213 HydrophobicContact CB-CD 4.35Å; A104-K213 HydrophobicContact CB-CG 4.12Å
105S93.8Very high91Very high62 Ų6250.7 Ų50.743%0.43426%0.256SS..PPolyproline II helixtrans-69160.8167.564.50000110.3D107 H108 V109S105-D107 VanDerWaalsContact C-N 3.3Å; S105-D107 PolarHBondContact O-N 3.46Å; S105-H108 PolarHBondContact O-N 3.15Å; S105-H108 VanDerWaalsContact O-N 3.08Å; S105-H108 WeakPolarHBondContact OG-CB 3.37Å; S105-H108 PolarHBondContact OG-N 2.89Å; S105-V109 WeakPolarHBondContact O-CG2 3.35Å; S105-V109 PolarHBondContact O-N 3.15Å
106R92.3Very high91.3Very high103 Ų10348.2 Ų48.239%0.38924%0.241SC..Hα-helixtrans-54.3-48-179.4-68-174.2-175.1-171.1-1.5112.1H108 V109 Q110 F143 D151R106-H108 VanDerWaalsContact C-N 3.27Å; R106-H108 PolarHBondContact O-N 3.31Å; R106-V109 PolarHBondContact O-N 3.11Å; R106-Q110 PolarHBondContact O-N 3.26Å; R106-F143 HydrophobicContact CB-CE1 4.24Å; R106-F143 HydrophobicContact CB-CZ 4.32Å; R106-F143 WeakPolarHBondContact O-CZ 3.37Å; R106-D151 IonicContact CZ-OD1 3.82Å; R106-D151 IonicContact CZ-OD2 2.92Å; R106-D151 IonicContact NH1-OD1 3.91Å; R106-D151 IonicContact NH1-OD2 3.76Å; R106-D151 PolarHBondContact NH1-OD2 2.9Å; R106-D151 IonicContact NH2-OD1 2.8Å; R106-D151 PolarHBondContact NH2-OD1 3.42Å; R106-D151 IonicContact NH2-OD2 2.79Å; R106-D151 PolarHBondContact NH2-OD2 2.82Å; R106-D151 VanDerWaalsContact NH2-OD2 3.1Å
107D92.2Very high91.5Very high105 Ų10546 Ų4656%0.56122%0.222SC*.Hα-helixtrans-62.4-36-179.1-49.4-13.1000111.5W43 S105 Q110 F111W43-D107 HydrophobicContact CH2-CB 3.66Å; W43-D107 HydrophobicContact CZ2-CB 4.34Å; S105-D107 VanDerWaalsContact C-N 3.3Å; S105-D107 PolarHBondContact O-N 3.46Å; D107-Q110 PolarHBondContact O-N 3.43Å; D107-F111 PolarHBondContact O-N 3.02Å
108H94.9Very high91.5Very high1 Ų150 Ų501%0.00524%0.243CC..Hα-helixtrans-74-39.2175.5-165.4176.5000111.6W43 A104 S105 R106 Q110 F111 I112 Y211W43-H108 HydrophobicContact CD2-CB 4.45Å; W43-H108 AromaticContact CD2-CD2 3.97Å; W43-H108 HydrophobicContact CE3-CB 3.85Å; W43-H108 AromaticContact CE3-CG 3.76Å; W43-H108 HydrophobicContact CH2-CB 4.21Å; W43-H108 HydrophobicContact CZ3-CB 3.73Å; A104-H108 HydrophobicContact CB-CB 4.21Å; S105-H108 PolarHBondContact O-N 3.15Å; S105-H108 VanDerWaalsContact O-N 3.08Å; S105-H108 WeakPolarHBondContact OG-CB 3.37Å; S105-H108 PolarHBondContact OG-N 2.89Å; R106-H108 VanDerWaalsContact C-N 3.27Å; R106-H108 PolarHBondContact O-N 3.31Å; H108-Q110 VanDerWaalsContact C-N 3.31Å; H108-Q110 PolarHBondContact O-N 2.93Å; H108-F111 PolarHBondContact O-N 2.84Å; H108-I112 VanDerWaalsContact O-CG1 3.27Å; H108-I112 WeakPolarHBondContact O-CG1 3.46Å; H108-I112 PolarHBondContact O-N 3.38Å; H108-Y211 AromaticContact CE1-CG 3.94Å; H108-Y211 AromaticContact NE2-CD1 3.69Å; H108-Y211 AromaticContact NE2-CD2 3.75Å; H108-Y211 AromaticContact NE2-CE1 3.97Å; H108-Y211 AromaticContact NE2-CG 3.6Å
109V95.2Very high91.5Very high1 Ų146.9 Ų46.91%0.00623%0.226CC..Hα-helixtrans-60.7-41.5170.21790000110.5A104 S105 R106 F111 I112 L113 F143 A177A104-V109 HydrophobicContact CB-CG2 3.59Å; S105-V109 WeakPolarHBondContact O-CG2 3.35Å; S105-V109 PolarHBondContact O-N 3.15Å; R106-V109 PolarHBondContact O-N 3.11Å; V109-F111 PolarHBondContact O-N 2.86Å; V109-I112 PolarHBondContact O-N 3.46Å; V109-L113 HydrophobicContact CG1-CD1 3.82Å; V109-L113 HydrophobicContact CG1-CG 4.22Å; V109-L113 WeakPolarHBondContact O-CB 3.3Å; V109-L113 VanDerWaalsContact O-CG 3.26Å; V109-L113 WeakPolarHBondContact O-CG 3.47Å; V109-L113 PolarHBondContact O-N 2.96Å; V109-F143 HydrophobicContact CB-CE2 4.36Å; V109-F143 HydrophobicContact CB-CZ 4.36Å; V109-F143 HydrophobicContact CG1-CE2 4.05Å; V109-F143 HydrophobicContact CG1-CZ 4.47Å; V109-A177 HydrophobicContact CG1-CB 3.83Å; V109-A177 HydrophobicContact CG2-CB 3.83Å
110Q93Very high91.6Very high100 Ų10046.8 Ų46.847%0.46723%0.225SC..Hα-helixtrans-62-42.8176.8-170.6178.1-300111.6R106 D107 H108 L114 F143R106-Q110 PolarHBondContact O-N 3.26Å; D107-Q110 PolarHBondContact O-N 3.43Å; H108-Q110 VanDerWaalsContact C-N 3.31Å; H108-Q110 PolarHBondContact O-N 2.93Å; Q110-L114 WeakPolarHBondContact O-CB 3.34Å; Q110-L114 PolarHBondContact O-N 2.83Å; Q110-L114 VanDerWaalsContact O-N 3.11Å; Q110-F143 HydrophobicContact CB-CD1 4.02Å; Q110-F143 HydrophobicContact CB-CD2 3.96Å; Q110-F143 HydrophobicContact CB-CE1 3.85Å; Q110-F143 HydrophobicContact CB-CE2 3.77Å; Q110-F143 HydrophobicContact CB-CG 4.09Å; Q110-F143 HydrophobicContact CB-CZ 3.73Å; Q110-F143 HydrophobicContact CG-CB 4.32Å; Q110-F143 HydrophobicContact CG-CD1 3.98Å; Q110-F143 HydrophobicContact CG-CD2 4Å; Q110-F143 HydrophobicContact CG-CE1 4.33Å; Q110-F143 HydrophobicContact CG-CE2 4.33Å; Q110-F143 HydrophobicContact CG-CG 3.82Å
111F92.3Very high91.7Very high29 Ų2946.4 Ų46.413%0.12722%0.224CC..Hα-helixtrans-62.6-49.4174.4178.1-104.3000112E36 D39 V40 W43 D107 H108 V109 L113 L114 Q115E36-F111 HydrophobicContact CG-CZ 4.44Å; D39-F111 HydrophobicContact CB-CE2 3.68Å; D39-F111 HydrophobicContact CB-CZ 3.86Å; V40-F111 HydrophobicContact CG2-CE1 4.18Å; V40-F111 HydrophobicContact CG2-CZ 4.01Å; W43-F111 AromaticContact CD1-CD1 3.24Å; W43-F111 AromaticContact CD1-CD2 3.86Å; W43-F111 AromaticContact CD1-CE1 3.37Å; W43-F111 AromaticContact CD1-CE2 3.98Å; W43-F111 AromaticContact CD1-CG 3.5Å; W43-F111 VanDerWaalsContact CD1-CG 3.5Å; W43-F111 AromaticContact CD1-CZ 3.75Å; W43-F111 AromaticContact CE2-CG 3.99Å; W43-F111 HydrophobicContact CG-CD1 4.03Å; W43-F111 HydrophobicContact CG-CE1 4.27Å; W43-F111 HydrophobicContact CG-CG 4.46Å; W43-F111 HydrophobicContact CZ2-CB 4.17Å; W43-F111 AromaticContact NE1-CD1 3.42Å; W43-F111 AromaticContact NE1-CD2 3.41Å; W43-F111 AromaticContact NE1-CE1 3.92Å; W43-F111 AromaticContact NE1-CE2 3.92Å; W43-F111 AromaticContact NE1-CG 3.12Å; D107-F111 PolarHBondContact O-N 3.02Å; H108-F111 PolarHBondContact O-N 2.84Å; V109-F111 PolarHBondContact O-N 2.86Å; F111-L113 VanDerWaalsContact C-N 3.35Å; F111-L113 PolarHBondContact O-N 3.16Å; F111-L114 PolarHBondContact O-N 3.06Å; F111-Q115 VanDerWaalsContact O-CB 3.31Å; F111-Q115 WeakPolarHBondContact O-CB 3.28Å; F111-Q115 PolarHBondContact O-N 3.13Å
112I95.3Very high91.6Very high0 Ų047.2 Ų47.20%024%0.236CC..Hα-helixtrans-58.3-45.8178.5-69.2166.7000110.9H108 V109 L114 Q115 C116 F204 W207 M208 Y211H108-I112 VanDerWaalsContact O-CG1 3.27Å; H108-I112 WeakPolarHBondContact O-CG1 3.46Å; H108-I112 PolarHBondContact O-N 3.38Å; V109-I112 PolarHBondContact O-N 3.46Å; I112-L114 PolarHBondContact O-N 2.99Å; I112-Q115 WeakPolarHBondContact O-CB 3.39Å; I112-Q115 PolarHBondContact O-N 2.98Å; I112-C116 WeakPolarHBondContact O-CB 3.36Å; I112-C116 PolarHBondContact O-N 2.87Å; I112-C116 PolarHBondContact O-SG 3.37Å; I112-F204 HydrophobicContact CG2-CD2 4.2Å; I112-F204 HydrophobicContact CG2-CE2 4.44Å; I112-W207 HydrophobicContact CG2-CB 4.04Å; I112-M208 HydrophobicContact CD1-SD 3.7Å; I112-M208 HydrophobicContact CG2-CG 4.44Å; I112-M208 HydrophobicContact CG2-SD 4.17Å; I112-Y211 HydrophobicContact CD1-CD2 3.62Å; I112-Y211 HydrophobicContact CD1-CE2 4.09Å; I112-Y211 HydrophobicContact CD1-CG 4.49Å; I112-Y211 HydrophobicContact CG1-CD2 3.76Å; I112-Y211 HydrophobicContact CG1-CE2 3.67Å
113L94.2Very high91.3Very high18 Ų1845.2 Ų45.29%0.09423%0.231CC..Hα-helixtrans-64.2-38.5179.1-69.9172.4000112.5V109 F111 C116 Y117 F143 L173 Q174 F204V109-L113 HydrophobicContact CG1-CD1 3.82Å; V109-L113 HydrophobicContact CG1-CG 4.22Å; V109-L113 WeakPolarHBondContact O-CB 3.3Å; V109-L113 VanDerWaalsContact O-CG 3.26Å; V109-L113 WeakPolarHBondContact O-CG 3.47Å; V109-L113 PolarHBondContact O-N 2.96Å; F111-L113 VanDerWaalsContact C-N 3.35Å; F111-L113 PolarHBondContact O-N 3.16Å; L113-C116 PolarHBondContact O-N 3.49Å; L113-Y117 WeakPolarHBondContact O-CB 3.49Å; L113-Y117 PolarHBondContact O-N 2.83Å; L113-F143 HydrophobicContact CD1-CD2 4.16Å; L113-F143 HydrophobicContact CD1-CE2 4.04Å; L113-L173 HydrophobicContact CD2-CB 3.55Å; L113-L173 HydrophobicContact CD2-CD1 4.14Å; L113-Q174 HydrophobicContact CD1-CB 3.74Å; L113-Q174 HydrophobicContact CD1-CG 4.24Å; L113-F204 HydrophobicContact CD2-CD2 3.91Å; L113-F204 HydrophobicContact CD2-CE2 3.97Å
114L89.4Confident90.8Very high99 Ų9945.9 Ų45.952%0.51824%0.241SC..Hα-helixtrans-66.3-44173.8-178.561.5000111.6Q110 F111 I112 C116 Y117 N118Q110-L114 WeakPolarHBondContact O-CB 3.34Å; Q110-L114 PolarHBondContact O-N 2.83Å; Q110-L114 VanDerWaalsContact O-N 3.11Å; F111-L114 PolarHBondContact O-N 3.06Å; I112-L114 PolarHBondContact O-N 2.99Å; L114-C116 VanDerWaalsContact C-N 3.28Å; L114-C116 PolarHBondContact O-N 3.29Å; L114-Y117 PolarHBondContact O-N 3.12Å; L114-N118 PolarHBondContact O-N 2.99Å; L114-N118 PolarHBondContact O-OD1 2.93Å
115Q90.2Very high90.1Very high2 Ų252.1 Ų52.11%0.00927%0.268CS..Hα-helixtrans-60.2-37.2176.5-173.7173.236.200112.4E36 F111 I112 R119 W207 Y211E36-Q115 PolarHBondContact OE1-NE2 3.39Å; F111-Q115 VanDerWaalsContact O-CB 3.31Å; F111-Q115 WeakPolarHBondContact O-CB 3.28Å; F111-Q115 PolarHBondContact O-N 3.13Å; I112-Q115 WeakPolarHBondContact O-CB 3.39Å; I112-Q115 PolarHBondContact O-N 2.98Å; Q115-R119 VanDerWaalsContact CG-NH1 3.3Å; Q115-R119 PolarHBondContact O-NH1 2.88Å; Q115-R119 VanDerWaalsContact O-NH1 3.09Å; Q115-W207 VanDerWaalsContact CD-CE2 3.49Å; Q115-W207 HydrophobicContact CG-CD2 4.24Å; Q115-W207 HydrophobicContact CG-CG 4.49Å; Q115-W207 HydrophobicContact CG-CZ2 4.32Å; Q115-W207 VanDerWaalsContact NE2-CZ2 3.29Å; Q115-W207 VanDerWaalsContact OE1-CD2 3.3Å; Q115-Y211 PolarHBondContact OE1-OH 2.93Å
116C94Very high89.5Confident0 Ų053.3 Ų53.30%027%0.266CS..Hα-helixtrans-72.1-45.5173.1-640000111.8I112 L113 L114 N118 R119 A120 L200 A203 F204I112-C116 WeakPolarHBondContact O-CB 3.36Å; I112-C116 PolarHBondContact O-N 2.87Å; I112-C116 PolarHBondContact O-SG 3.37Å; L113-C116 PolarHBondContact O-N 3.49Å; L114-C116 VanDerWaalsContact C-N 3.28Å; L114-C116 PolarHBondContact O-N 3.29Å; C116-N118 VanDerWaalsContact C-N 3.34Å; C116-N118 PolarHBondContact O-N 3.39Å; C116-R119 PolarHBondContact O-N 2.79Å; C116-R119 VanDerWaalsContact O-N 3.09Å; C116-A120 WeakPolarHBondContact O-CB 3.34Å; C116-A120 PolarHBondContact O-N 2.92Å; C116-L200 VanDerWaalsContact C-CD1 3.42Å; C116-L200 HydrophobicContact CB-CD1 3.64Å; C116-L200 HydrophobicContact CB-CG 4.39Å; C116-A203 HydrophobicContact CB-CB 3.95Å; C116-A203 VanDerWaalsContact SG-C 3.54Å; C116-F204 VanDerWaalsContact SG-CA 3.52Å
117Y90.6Very high88.8Confident48 Ų4848.7 Ų48.719%0.18825%0.249CC..Hα-helixtrans-57.3-47.5179.6-175-79000111.1L113 L114 R119 A120 V121 E140 V168L113-Y117 WeakPolarHBondContact O-CB 3.49Å; L113-Y117 PolarHBondContact O-N 2.83Å; L114-Y117 PolarHBondContact O-N 3.12Å; Y117-R119 PolarHBondContact O-N 3.1Å; Y117-A120 PolarHBondContact O-N 3.11Å; Y117-A120 VanDerWaalsContact O-N 3.09Å; Y117-V121 HydrophobicContact CD1-CB 4.19Å; Y117-V121 HydrophobicContact CD1-CG2 4.25Å; Y117-V121 HydrophobicContact CD2-CG2 3.98Å; Y117-V121 HydrophobicContact CE1-CB 3.93Å; Y117-V121 HydrophobicContact CE1-CG1 4.21Å; Y117-V121 HydrophobicContact CE1-CG2 4.12Å; Y117-V121 HydrophobicContact CE2-CG2 3.89Å; Y117-V121 HydrophobicContact CG-CG2 4.18Å; Y117-V121 PolarHBondContact O-N 3.22Å; Y117-E140 WeakPolarHBondContact CE2-OE1 3.43Å; Y117-E140 PolarHBondContact OH-OE1 3.1Å; Y117-V168 HydrophobicContact CD2-CG2 4.45Å; Y117-V168 HydrophobicContact CE2-CG2 4.38Å
118N87.3Confident87.9Confident96 Ų9648.3 Ų48.351%0.51325%0.247SC..Hα-helixtrans-59-28.8178.2-66.7-9.6000113.2L114 C116L114-N118 PolarHBondContact O-N 2.99Å; L114-N118 PolarHBondContact O-OD1 2.93Å; C116-N118 VanDerWaalsContact C-N 3.34Å; C116-N118 PolarHBondContact O-N 3.39Å
119R88.8Confident86.4Confident73 Ų7355 Ų5528%0.27528%0.278SS..Hα-helixtrans-87.5-29.3175.9-73.1169174.863.51.9113.3E36 Q115 C116 Y117 R199E36-R119 VanDerWaalsContact CD-NH1 3.25Å; E36-R119 IonicContact OE1-CZ 2.64Å; E36-R119 VanDerWaalsContact OE1-CZ 3.24Å; E36-R119 IonicContact OE1-NH1 2.68Å; E36-R119 PolarHBondContact OE1-NH1 2.98Å; E36-R119 IonicContact OE1-NH2 3.19Å; E36-R119 PolarHBondContact OE1-NH2 2.74Å; E36-R119 IonicContact OE2-CZ 2.94Å; E36-R119 IonicContact OE2-NH1 2.87Å; E36-R119 PolarHBondContact OE2-NH1 3.19Å; E36-R119 IonicContact OE2-NH2 3.99Å; Q115-R119 VanDerWaalsContact CG-NH1 3.3Å; Q115-R119 PolarHBondContact O-NH1 2.88Å; Q115-R119 VanDerWaalsContact O-NH1 3.09Å; C116-R119 PolarHBondContact O-N 2.79Å; C116-R119 VanDerWaalsContact O-N 3.09Å; Y117-R119 PolarHBondContact O-N 3.1Å; R119-R199 PolarHBondContact O-NH2 3Å
120A91.1Very high84.7Confident1 Ų158.7 Ų58.71%0.00829%0.292CS..Hα-helixtrans-89.9-39-174.400000113.8C116 Y117 S122 R199 L200C116-A120 WeakPolarHBondContact O-CB 3.34Å; C116-A120 PolarHBondContact O-N 2.92Å; Y117-A120 PolarHBondContact O-N 3.11Å; Y117-A120 VanDerWaalsContact O-N 3.09Å; A120-S122 PolarHBondContact O-N 3.29Å; A120-R199 HydrophobicContact CB-CB 3.81Å; A120-R199 PolarHBondContact O-NE 2.83Å; A120-R199 PolarHBondContact O-NH1 2.82Å; A120-R199 PolarHBondContact O-NH2 3.18Å; A120-L200 HydrophobicContact CB-CB 3.9Å; A120-L200 HydrophobicContact CB-CD1 3.7Å; A120-L200 HydrophobicContact CB-CG 4.45Å
121V88.5Confident82.7Confident11 Ų1157.2 Ų57.27%0.06729%0.291CS..  trans-99.982.8-174.9-1750000109.6Y117 D123 P124 L127 V168 C196Y117-V121 HydrophobicContact CD1-CB 4.19Å; Y117-V121 HydrophobicContact CD1-CG2 4.25Å; Y117-V121 HydrophobicContact CD2-CG2 3.98Å; Y117-V121 HydrophobicContact CE1-CB 3.93Å; Y117-V121 HydrophobicContact CE1-CG1 4.21Å; Y117-V121 HydrophobicContact CE1-CG2 4.12Å; Y117-V121 HydrophobicContact CE2-CG2 3.89Å; Y117-V121 HydrophobicContact CG-CG2 4.18Å; Y117-V121 PolarHBondContact O-N 3.22Å; V121-D123 VanDerWaalsContact C-N 3.26Å; V121-D123 PolarHBondContact O-N 3.1Å; V121-P124 HydrophobicContact CG1-CB 4.01Å; V121-L127 HydrophobicContact CG1-CD1 3.68Å; V121-L127 HydrophobicContact CG1-CG 4.36Å; V121-L127 HydrophobicContact CG2-CD1 4.41Å; V121-V168 HydrophobicContact CG2-CG1 4.21Å; V121-C196 HydrophobicContact CG2-CB 4.27Å
122S83.8Confident80.9Confident86 Ų8660.9 Ų60.960%0.60132%0.318SS*.SBendtrans-75.4-9.8178.751.30000114.7A120 R199A120-S122 PolarHBondContact O-N 3.29Å; S122-R199 PolarHBondContact OG-NH1 3.35Å
123D84.1Confident78.7Confident45 Ų4569.7 Ų69.724%0.24136%0.357CS..  trans-148.591.1176.2-176.5-28.1000109.4V121 E125 K126 Y192V121-D123 VanDerWaalsContact C-N 3.26Å; V121-D123 PolarHBondContact O-N 3.1Å; D123-E125 PolarHBondContact O-N 3.44Å; D123-E125 PolarHBondContact OD1-N 3.38Å; D123-E125 VanDerWaalsContact OD1-N 3.09Å; D123-K126 HydrophobicContact CB-CD 4.31Å; D123-K126 HydrophobicContact CB-CG 4.39Å; D123-K126 PolarHBondContact O-N 3.26Å; D123-K126 PolarHBondContact OD1-N 2.9Å; D123-K126 IonicContact OD2-NZ 3.64Å; D123-K126 PolarHBondContact OD2-NZ 2.92Å; D123-Y192 PolarHBondContact N-OH 3.32Å; D123-Y192 WeakPolarHBondContact O-CE1 3.5Å; D123-Y192 PolarHBondContact O-OH 3.29Å
124P81.9Confident76.8Confident69 Ų6969.7 Ų69.745%0.44836%0.358SS..SBendtrans-72.4-17.1-179.829.2-34.8000112.8V121 K126 L127 N128V121-P124 HydrophobicContact CG1-CB 4.01Å; P124-K126 VanDerWaalsContact C-N 3.33Å; P124-L127 WeakPolarHBondContact O-CB 3.33Å; P124-L127 PolarHBondContact O-N 3.02Å; P124-N128 PolarHBondContact O-ND2 2.98Å
125E78.6Confident74.9Confident145 Ų14567.5 Ų67.568%0.67835%0.35SS*.G310 helixtrans-68.7-35.5176.9-64.3-169.9177.700111.1D123 L127 N128D123-E125 PolarHBondContact O-N 3.44Å; D123-E125 PolarHBondContact OD1-N 3.38Å; D123-E125 VanDerWaalsContact OD1-N 3.09Å; E125-L127 PolarHBondContact O-N 2.7Å; E125-N128 WeakPolarHBondContact O-CB 3.45Å; E125-N128 PolarHBondContact O-N 3.29Å
126K81.3Confident73.1Confident88 Ų8871 Ų7138%0.38337%0.366SS..G310 helixtrans-60.3-25.5172.2-79.4-174.8179.779.80114.4D123 P124 N128 Q129 Y192D123-K126 HydrophobicContact CB-CD 4.31Å; D123-K126 HydrophobicContact CB-CG 4.39Å; D123-K126 PolarHBondContact O-N 3.26Å; D123-K126 PolarHBondContact OD1-N 2.9Å; D123-K126 IonicContact OD2-NZ 3.64Å; D123-K126 PolarHBondContact OD2-NZ 2.92Å; P124-K126 VanDerWaalsContact C-N 3.33Å; K126-N128 PolarHBondContact O-N 2.56Å; K126-Q129 PolarHBondContact O-N 2.83Å; K126-Y192 HydrophobicContact CB-CD1 3.51Å; K126-Y192 HydrophobicContact CB-CE1 3.32Å; K126-Y192 HydrophobicContact CB-CE2 4.39Å; K126-Y192 HydrophobicContact CB-CG 4.14Å; K126-Y192 HydrophobicContact CD-CD2 4.1Å; K126-Y192 HydrophobicContact CD-CE1 4.35Å; K126-Y192 HydrophobicContact CD-CE2 3.91Å; K126-Y192 HydrophobicContact CD-CG 4.42Å; K126-Y192 HydrophobicContact CG-CE1 4.47Å
127L78.1Confident70.9Confident6 Ų672.8 Ų72.83%0.03138%0.377CS..G310 helixtrans-66.5-23.3174-63.3174.7000112.2V121 P124 E125 Y130 Y138 V168 Y192 P193V121-L127 HydrophobicContact CG1-CD1 3.68Å; V121-L127 HydrophobicContact CG1-CG 4.36Å; V121-L127 HydrophobicContact CG2-CD1 4.41Å; P124-L127 WeakPolarHBondContact O-CB 3.33Å; P124-L127 PolarHBondContact O-N 3.02Å; E125-L127 PolarHBondContact O-N 2.7Å; L127-Y130 WeakPolarHBondContact O-CD1 3.49Å; L127-Y138 HydrophobicContact CB-CD1 3.72Å; L127-Y138 HydrophobicContact CB-CE1 3.81Å; L127-Y138 HydrophobicContact CB-CG 4.32Å; L127-Y138 HydrophobicContact CD1-CD1 4.49Å; L127-Y138 HydrophobicContact CD1-CE1 3.73Å; L127-Y138 HydrophobicContact CG-CE1 4.27Å; L127-Y138 WeakPolarHBondContact O-CB 3.46Å; L127-V168 HydrophobicContact CD1-CG1 4.15Å; L127-V168 HydrophobicContact CD2-CG1 3.85Å; L127-Y192 HydrophobicContact CD2-CD1 3.85Å; L127-Y192 HydrophobicContact CD2-CE1 3.81Å; L127-Y192 HydrophobicContact CG-CD1 4.41Å; L127-Y192 HydrophobicContact CG-CE1 4.03Å; L127-P193 HydrophobicContact CD2-CB 4.32Å; L127-P193 HydrophobicContact CD2-CG 3.99Å
128N73.7Confident69.4Low97 Ų9772 Ų7252%0.51937%0.374SS..G310 helixtrans-88.6-1.4176.9-56.4-62.3000113.5P124 E125 K126 Y130P124-N128 PolarHBondContact O-ND2 2.98Å; E125-N128 WeakPolarHBondContact O-CB 3.45Å; E125-N128 PolarHBondContact O-N 3.29Å; K126-N128 PolarHBondContact O-N 2.56Å; N128-Y130 VanDerWaalsContact C-N 3.28Å; N128-Y130 PolarHBondContact O-N 2.87Å; N128-Y130 VanDerWaalsContact O-N 3.08Å
129Q63.7Low68Low142 Ų14268.2 Ų68.266%0.66436%0.358SS*.  trans-88.558.6-175.6-64.8178.518.200112.1K126K126-Q129 PolarHBondContact O-N 2.83Å
130Y58Low67Low78 Ų7867.2 Ų67.231%0.30636%0.356SS..  trans-108.2153.7176.446.3-109.7000111.8L127 N128 Q136 V137 Y138L127-Y130 WeakPolarHBondContact O-CD1 3.49Å; N128-Y130 VanDerWaalsContact C-N 3.28Å; N128-Y130 PolarHBondContact O-N 2.87Å; N128-Y130 VanDerWaalsContact O-N 3.08Å; Y130-Q136 VanDerWaalsContact CB-O 3.32Å; Y130-Q136 WeakPolarHBondContact CB-O 3.37Å; Y130-V137 HydrophobicContact CD2-CB 4.11Å; Y130-V137 HydrophobicContact CD2-CG1 4.29Å; Y130-V137 HydrophobicContact CD2-CG2 3.55Å; Y130-V137 HydrophobicContact CE1-CG1 4.29Å; Y130-V137 HydrophobicContact CE2-CB 4.19Å; Y130-V137 HydrophobicContact CE2-CG1 3.86Å; Y130-V137 HydrophobicContact CE2-CG2 3.81Å; Y130-V137 HydrophobicContact CG-CB 4.35Å; Y130-V137 HydrophobicContact CG-CG2 4.15Å; Y130-Y138 VanDerWaalsContact CD1-N 3.31Å
131P51.2Low66.2Low69 Ų6967.8 Ų67.845%0.44836%0.359SS..  trans-66.6132.9171.5-12.126.2000110F133 S134P131-F133 PolarHBondContact O-N 3.01Å; P131-S134 WeakPolarHBondContact O-CB 3.47Å; P131-S134 PolarHBondContact O-N 2.95Å
132P54Low65.8Low106 Ų10668.6 Ų68.669%0.68837%0.366SS*.THydrogen-bonded Turntrans-55.6136.5177.9-27.835.8000112.4S134P132-S134 PolarHBondContact O-N 2.77Å
133F50.8Low65.9Low185 Ų18565.9 Ų65.981%0.81134%0.343SS*.THydrogen-bonded Turntrans61.314.7-176-45.2-78000115.4P131P131-F133 PolarHBondContact O-N 3.01Å
134S52.9Low66Low17 Ų1769.3 Ų69.312%0.11936%0.358CS..SBendtrans-72.8151.6168.3-176.90000111.7P131 P132 Q136 V137P131-S134 WeakPolarHBondContact O-CB 3.47Å; P131-S134 PolarHBondContact O-N 2.95Å; P132-S134 PolarHBondContact O-N 2.77Å; S134-Q136 PolarHBondContact O-N 2.79Å; S134-Q136 VanDerWaalsContact O-N 3.1Å; S134-Q136 WeakPolarHBondContact OG-CB 3.31Å; S134-Q136 WeakPolarHBondContact OG-CG 3.35Å; S134-Q136 PolarHBondContact OG-N 3.35Å; S134-Q136 VanDerWaalsContact OG-N 3.12Å; S134-Q136 PolarHBondContact OG-OE1 2.71Å; S134-V137 WeakPolarHBondContact O-CG2 3.46Å; S134-V137 PolarHBondContact O-N 2.98Å
135P49.9Very low66.1Low54 Ų5466.2 Ų66.235%0.35134%0.337SS..THydrogen-bonded Turntrans-58.8-12.6162.7-22.134.6000114.2V137 F247 V251P135-V137 VanDerWaalsContact C-N 3.3Å; P135-F247 HydrophobicContact CB-CD1 4.36Å; P135-F247 WeakPolarHBondContact O-CE1 3.44Å; P135-V251 HydrophobicContact CB-CG2 4.21Å; P135-V251 HydrophobicContact CG-CG2 3.55Å
136Q51.9Low66.7Low76 Ų7659.4 Ų59.436%0.35531%0.305SS..THydrogen-bonded Turntrans-84.55177.2-60.6160-4400113.8Y130 S134 Y138Y130-Q136 VanDerWaalsContact CB-O 3.32Å; Y130-Q136 WeakPolarHBondContact CB-O 3.37Å; S134-Q136 PolarHBondContact O-N 2.79Å; S134-Q136 VanDerWaalsContact O-N 3.1Å; S134-Q136 WeakPolarHBondContact OG-CB 3.31Å; S134-Q136 WeakPolarHBondContact OG-CG 3.35Å; S134-Q136 PolarHBondContact OG-N 3.35Å; S134-Q136 VanDerWaalsContact OG-N 3.12Å; S134-Q136 PolarHBondContact OG-OE1 2.71Å; Q136-Y138 PolarHBondContact O-N 3.17Å; Q136-Y138 VanDerWaalsContact O-N 3.1Å
137V49.6Very low67.1Low36 Ų3655.3 Ų55.322%0.21829%0.288CS..  trans-66108.6178.7169.70000110Y130 S134 P135 A246Y130-V137 HydrophobicContact CD2-CB 4.11Å; Y130-V137 HydrophobicContact CD2-CG1 4.29Å; Y130-V137 HydrophobicContact CD2-CG2 3.55Å; Y130-V137 HydrophobicContact CE1-CG1 4.29Å; Y130-V137 HydrophobicContact CE2-CB 4.19Å; Y130-V137 HydrophobicContact CE2-CG1 3.86Å; Y130-V137 HydrophobicContact CE2-CG2 3.81Å; Y130-V137 HydrophobicContact CG-CB 4.35Å; Y130-V137 HydrophobicContact CG-CG2 4.15Å; S134-V137 WeakPolarHBondContact O-CG2 3.46Å; S134-V137 PolarHBondContact O-N 2.98Å; P135-V137 VanDerWaalsContact C-N 3.3Å; V137-A246 HydrophobicContact CB-CB 3.56Å; V137-A246 HydrophobicContact CG1-CB 3.45Å; V137-A246 VanDerWaalsContact CG1-CB 3.45Å; V137-A246 HydrophobicContact CG2-CB 4.07Å
138Y57.2Low67.4Low31 Ų3156.6 Ų56.612%0.12229%0.294CS..  trans-71.8145.4174.5-176.1-109.2000110.6L127 Y130 Q136 E140 V168L127-Y138 HydrophobicContact CB-CD1 3.72Å; L127-Y138 HydrophobicContact CB-CE1 3.81Å; L127-Y138 HydrophobicContact CB-CG 4.32Å; L127-Y138 HydrophobicContact CD1-CD1 4.49Å; L127-Y138 HydrophobicContact CD1-CE1 3.73Å; L127-Y138 HydrophobicContact CG-CE1 4.27Å; L127-Y138 WeakPolarHBondContact O-CB 3.46Å; Y130-Y138 VanDerWaalsContact CD1-N 3.31Å; Q136-Y138 PolarHBondContact O-N 3.17Å; Q136-Y138 VanDerWaalsContact O-N 3.1Å; Y138-E140 HydrophobicContact CD1-CG 4.22Å; Y138-E140 HydrophobicContact CE1-CG 3.29Å; Y138-E140 WeakPolarHBondContact CE1-OE1 3.47Å; Y138-E140 WeakPolarHBondContact OH-CG 3.47Å; Y138-E140 PolarHBondContact OH-OE1 2.71Å; Y138-V168 HydrophobicContact CE2-CG1 4.29Å
139G59.6Low68.1Low17 Ų1752.2 Ų52.218%0.17527%0.27CS..  trans-163.4108.1179.300000111.1T141 N243G139-T141 PolarHBondContact O-N 2.69Å; G139-N243 PolarHBondContact O-ND2 2.84Å
140E67.4Low69.3Low52 Ų5246.4 Ų46.424%0.24324%0.244CC..PPolyproline II helixtrans-68.2125.4-170.6-60.2-172.814900112.2Y117 Y138 V305 S306Y117-E140 WeakPolarHBondContact CE2-OE1 3.43Å; Y117-E140 PolarHBondContact OH-OE1 3.1Å; Y138-E140 HydrophobicContact CD1-CG 4.22Å; Y138-E140 HydrophobicContact CE1-CG 3.29Å; Y138-E140 WeakPolarHBondContact CE1-OE1 3.47Å; Y138-E140 WeakPolarHBondContact OH-CG 3.47Å; Y138-E140 PolarHBondContact OH-OE1 2.71Å; E140-V305 WeakPolarHBondContact O-CA 3.36Å; E140-S306 PolarHBondContact O-N 2.82Å
141T73.5Confident70.7Confident13 Ų1347.2 Ų47.28%0.0825%0.253CS..BIsolated β-bridgetrans-81.9132.417247.40000109.3G139 Q170 V171 F241G139-T141 PolarHBondContact O-N 2.69Å; T141-Q170 PolarHBondContact O-NE2 2.73Å; T141-Q170 VanDerWaalsContact O-NE2 3.11Å; T141-V171 WeakPolarHBondContact OG1-CG2 3.44Å; T141-F241 HydrophobicContact CG2-CE1 4.07Å; T141-F241 HydrophobicContact CG2-CZ 3.84Å
142S80.1Confident72.4Confident28 Ų2847.9 Ų47.920%0.19626%0.256CS..PPolyproline II helixtrans-78.1146.6-179.875.40000112.6E144 L145 I146 D303 A304S142-E144 PolarHBondContact O-N 3.12Å; S142-L145 WeakPolarHBondContact O-CB 3.35Å; S142-L145 PolarHBondContact O-N 3.17Å; S142-L145 VanDerWaalsContact O-N 3.08Å; S142-I146 PolarHBondContact O-N 2.74Å; S142-D303 VanDerWaalsContact CB-O 3.23Å; S142-D303 WeakPolarHBondContact CB-O 3.32Å; S142-D303 PolarHBondContact OG-O 3.21Å; S142-A304 PolarHBondContact N-O 3.39Å; S142-A304 VanDerWaalsContact N-O 3.11Å; S142-A304 WeakPolarHBondContact OG-CA 3.43Å; S142-A304 PolarHBondContact OG-O 3.18Å
143F87.1Confident73.9Confident29 Ų2943.7 Ų43.713%0.12723%0.228CC..Hα-helixtrans-55.9-36.1179.8-177.8-87.8000112.9R106 V109 Q110 L113 S147 Q174R106-F143 HydrophobicContact CB-CE1 4.24Å; R106-F143 HydrophobicContact CB-CZ 4.32Å; R106-F143 WeakPolarHBondContact O-CZ 3.37Å; V109-F143 HydrophobicContact CB-CE2 4.36Å; V109-F143 HydrophobicContact CB-CZ 4.36Å; V109-F143 HydrophobicContact CG1-CE2 4.05Å; V109-F143 HydrophobicContact CG1-CZ 4.47Å; Q110-F143 HydrophobicContact CB-CD1 4.02Å; Q110-F143 HydrophobicContact CB-CD2 3.96Å; Q110-F143 HydrophobicContact CB-CE1 3.85Å; Q110-F143 HydrophobicContact CB-CE2 3.77Å; Q110-F143 HydrophobicContact CB-CG 4.09Å; Q110-F143 HydrophobicContact CB-CZ 3.73Å; Q110-F143 HydrophobicContact CG-CB 4.32Å; Q110-F143 HydrophobicContact CG-CD1 3.98Å; Q110-F143 HydrophobicContact CG-CD2 4Å; Q110-F143 HydrophobicContact CG-CE1 4.33Å; Q110-F143 HydrophobicContact CG-CE2 4.33Å; Q110-F143 HydrophobicContact CG-CG 3.82Å; L113-F143 HydrophobicContact CD1-CD2 4.16Å; L113-F143 HydrophobicContact CD1-CE2 4.04Å; F143-S147 WeakPolarHBondContact CE1-OG 3.43Å; F143-S147 WeakPolarHBondContact O-CB 3.31Å; F143-S147 PolarHBondContact O-N 3.34Å; F143-S147 PolarHBondContact O-OG 3.41Å; F143-Q174 HydrophobicContact CD2-CG 4.04Å; F143-Q174 VanDerWaalsContact CD2-NE2 3.34Å; F143-Q174 HydrophobicContact CE2-CG 3.68Å; F143-Q174 VanDerWaalsContact CE2-NE2 3.34Å; F143-Q174 HydrophobicContact CZ-CG 4.39Å; F143-Q174 PolarHBondContact O-NE2 2.99Å
144E85.3Confident75.5Confident118 Ų11838 Ų3855%0.55122%0.215SC*.Hα-helixtrans-67.5-39.5177.9-177.957.5-157.300112.1S142 S147 Q148 I301S142-E144 PolarHBondContact O-N 3.12Å; E144-S147 PolarHBondContact O-N 3.03Å; E144-Q148 PolarHBondContact O-N 3.32Å; E144-I301 HydrophobicContact CG-CD1 4.27Å
145L84.3Confident77.3Confident4 Ų438.5 Ų38.52%0.02122%0.217CC..Hα-helixtrans-61.3-46.6175.8170.173000111.5S142 S147 Q148 M149 I301 A304 Y314S142-L145 WeakPolarHBondContact O-CB 3.35Å; S142-L145 PolarHBondContact O-N 3.17Å; S142-L145 VanDerWaalsContact O-N 3.08Å; L145-S147 VanDerWaalsContact C-N 3.32Å; L145-Q148 PolarHBondContact O-N 2.91Å; L145-M149 WeakPolarHBondContact O-CB 3.33Å; L145-M149 PolarHBondContact O-N 3.37Å; L145-I301 HydrophobicContact CB-CD1 4.4Å; L145-I301 HydrophobicContact CD1-CD1 4.41Å; L145-A304 HydrophobicContact CD1-CB 4.5Å; L145-Y314 HydrophobicContact CD1-CD2 3.62Å; L145-Y314 HydrophobicContact CD1-CE2 4.06Å; L145-Y314 HydrophobicContact CD1-CG 4.12Å; L145-Y314 HydrophobicContact CD2-CD2 3.72Å; L145-Y314 HydrophobicContact CD2-CE1 4.18Å; L145-Y314 HydrophobicContact CD2-CE2 3.25Å; L145-Y314 HydrophobicContact CD2-CG 4.38Å; L145-Y314 HydrophobicContact CG-CD2 4.27Å; L145-Y314 HydrophobicContact CG-CE2 4.26Å
146I90.4Very high79.3Confident1 Ų138.9 Ų38.91%0.00522%0.219CC..Hα-helixtrans-68.1-34.4178.8-57.1-54.3000110.8S142 M149 I150 V171 Q174 V175 F241S142-I146 PolarHBondContact O-N 2.74Å; I146-M149 HydrophobicContact CG2-CE 4.33Å; I146-M149 WeakPolarHBondContact O-CB 3.16Å; I146-M149 PolarHBondContact O-N 2.9Å; I146-I150 HydrophobicContact CG2-CD1 4.06Å; I146-I150 WeakPolarHBondContact O-CD1 3.22Å; I146-I150 VanDerWaalsContact O-CG1 3.27Å; I146-I150 WeakPolarHBondContact O-CG1 3.4Å; I146-I150 PolarHBondContact O-N 3.21Å; I146-V171 HydrophobicContact CD1-CG1 3.82Å; I146-V171 HydrophobicContact CD1-CG2 4.06Å; I146-V171 HydrophobicContact CG1-CG1 4.21Å; I146-V171 HydrophobicContact CG1-CG2 4.19Å; I146-V171 HydrophobicContact CG2-CG1 4.18Å; I146-Q174 HydrophobicContact CG2-CB 4.37Å; I146-Q174 HydrophobicContact CG2-CG 4.08Å; I146-V175 HydrophobicContact CG2-CG2 4.12Å; I146-F241 HydrophobicContact CD1-CE2 3.84Å; I146-F241 HydrophobicContact CD1-CZ 3.9Å
147S89.4Confident81.3Confident3 Ų339 Ų392%0.02123%0.228CC..Hα-helixtrans-62.4-47.5172.1-62.10000112.1F143 E144 L145 M149 I150 D151 Q174F143-S147 WeakPolarHBondContact CE1-OG 3.43Å; F143-S147 WeakPolarHBondContact O-CB 3.31Å; F143-S147 PolarHBondContact O-N 3.34Å; F143-S147 PolarHBondContact O-OG 3.41Å; E144-S147 PolarHBondContact O-N 3.03Å; L145-S147 VanDerWaalsContact C-N 3.32Å; S147-M149 VanDerWaalsContact C-N 3.3Å; S147-M149 PolarHBondContact O-N 3.47Å; S147-I150 PolarHBondContact O-N 3.31Å; S147-D151 PolarHBondContact O-N 3.37Å; S147-Q174 PolarHBondContact OG-NE2 2.95Å; S147-Q174 VanDerWaalsContact OG-NE2 3.14Å
148Q85.5Confident83.5Confident33 Ų3343.8 Ų43.815%0.15425%0.252CS..Hα-helixtrans-62.2-37.8174.8-169.5-154.875.100112E144 L145 D151 T152 N299 I301E144-Q148 PolarHBondContact O-N 3.32Å; L145-Q148 PolarHBondContact O-N 2.91Å; Q148-D151 PolarHBondContact O-N 3.06Å; Q148-T152 WeakPolarHBondContact O-CB 3.37Å; Q148-T152 PolarHBondContact O-N 3.33Å; Q148-T152 PolarHBondContact O-OG1 2.72Å; Q148-N299 PolarHBondContact NE2-O 2.88Å; Q148-N299 PolarHBondContact OE1-O 3.46Å; Q148-I301 HydrophobicContact CB-CD1 3.69Å; Q148-I301 HydrophobicContact CG-CD1 4.1Å
149M88Confident85.3Confident5 Ų542.9 Ų42.93%0.02525%0.25CC..Hα-helixtrans-61.1-49.9175.9-177.2-163.880.500111L145 I146 S147 D151 T152 I153 F161 V175 F241 I269 L298L145-M149 WeakPolarHBondContact O-CB 3.33Å; L145-M149 PolarHBondContact O-N 3.37Å; I146-M149 HydrophobicContact CG2-CE 4.33Å; I146-M149 WeakPolarHBondContact O-CB 3.16Å; I146-M149 PolarHBondContact O-N 2.9Å; S147-M149 VanDerWaalsContact C-N 3.3Å; S147-M149 PolarHBondContact O-N 3.47Å; M149-D151 PolarHBondContact O-N 2.84Å; M149-T152 PolarHBondContact O-N 3.46Å; M149-I153 HydrophobicContact CG-CD1 3.79Å; M149-I153 VanDerWaalsContact O-CB 3.3Å; M149-I153 WeakPolarHBondContact O-CB 3.49Å; M149-I153 WeakPolarHBondContact O-CG1 3.29Å; M149-I153 PolarHBondContact O-N 3.01Å; M149-F161 HydrophobicContact CE-CE2 3.96Å; M149-F161 HydrophobicContact CE-CZ 4.42Å; M149-V175 HydrophobicContact CE-CG2 4.28Å; M149-F241 HydrophobicContact CE-CD2 4.49Å; M149-F241 HydrophobicContact SD-CD2 3.5Å; M149-F241 WeakPolarHBondContact SD-CD2 3.21Å; M149-F241 HydrophobicContact SD-CE2 3.83Å; M149-I269 HydrophobicContact CG-CD1 4.44Å; M149-I269 HydrophobicContact CG-CG1 3.87Å; M149-I269 HydrophobicContact CG-CG2 4.07Å; M149-I269 HydrophobicContact SD-CB 3.99Å; M149-I269 HydrophobicContact SD-CD1 3.9Å; M149-I269 HydrophobicContact SD-CG1 3.68Å; M149-I269 HydrophobicContact SD-CG2 3.86Å; M149-L298 HydrophobicContact CB-CD1 4.5Å
150I89.3Confident87.1Confident19 Ų1944 Ų4410%0.09725%0.253CS..Hα-helixtrans-56.1-49.6176.8-72.2163.6000110.6I146 S147 T152 I153 A154 V175 T179I146-I150 HydrophobicContact CG2-CD1 4.06Å; I146-I150 WeakPolarHBondContact O-CD1 3.22Å; I146-I150 VanDerWaalsContact O-CG1 3.27Å; I146-I150 WeakPolarHBondContact O-CG1 3.4Å; I146-I150 PolarHBondContact O-N 3.21Å; S147-I150 PolarHBondContact O-N 3.31Å; I150-T152 PolarHBondContact O-N 2.82Å; I150-I153 PolarHBondContact O-N 2.95Å; I150-A154 PolarHBondContact O-N 3.36Å; I150-A154 VanDerWaalsContact O-N 3.13Å; I150-V175 HydrophobicContact CD1-CG2 4.09Å; I150-V175 HydrophobicContact CG1-CG2 4.34Å; I150-T179 HydrophobicContact CB-CG2 4.35Å; I150-T179 HydrophobicContact CD1-CG2 3.89Å; I150-T179 HydrophobicContact CG1-CG2 3.81Å; I150-T179 HydrophobicContact CG2-CG2 3.61Å
151D87.8Confident88.5Confident96 Ų9641.5 Ų41.551%0.51324%0.241SC..Hα-helixtrans-62.3-38.9179.5-79-31.1000113.3R106 S147 Q148 M149R106-D151 IonicContact CZ-OD1 3.82Å; R106-D151 IonicContact CZ-OD2 2.92Å; R106-D151 IonicContact NH1-OD1 3.91Å; R106-D151 IonicContact NH1-OD2 3.76Å; R106-D151 PolarHBondContact NH1-OD2 2.9Å; R106-D151 IonicContact NH2-OD1 2.8Å; R106-D151 PolarHBondContact NH2-OD1 3.42Å; R106-D151 IonicContact NH2-OD2 2.79Å; R106-D151 PolarHBondContact NH2-OD2 2.82Å; R106-D151 VanDerWaalsContact NH2-OD2 3.1Å; S147-D151 PolarHBondContact O-N 3.37Å; Q148-D151 PolarHBondContact O-N 3.06Å; M149-D151 PolarHBondContact O-N 2.84Å
152T85.6Confident89.7Confident83 Ų8341 Ų4151%0.50924%0.238SC..Hα-helixtrans-76.1-27.6-177.3-52.90000112.2Q148 M149 I150 L298Q148-T152 WeakPolarHBondContact O-CB 3.37Å; Q148-T152 PolarHBondContact O-N 3.33Å; Q148-T152 PolarHBondContact O-OG1 2.72Å; M149-T152 PolarHBondContact O-N 3.46Å; I150-T152 PolarHBondContact O-N 2.82Å; T152-L298 HydrophobicContact CG2-CD2 3.55Å
153I85.3Confident90.5Very high18 Ų1839.9 Ų39.99%0.09223%0.23CC..Hα-helixtrans-95.7-30.3-170.3-73.2-178.7000113.3M149 I150 V155 I239 R267 I269 V316M149-I153 HydrophobicContact CG-CD1 3.79Å; M149-I153 VanDerWaalsContact O-CB 3.3Å; M149-I153 WeakPolarHBondContact O-CB 3.49Å; M149-I153 WeakPolarHBondContact O-CG1 3.29Å; M149-I153 PolarHBondContact O-N 3.01Å; I150-I153 PolarHBondContact O-N 2.95Å; I153-V155 HydrophobicContact CG2-CG2 4.46Å; I153-I239 HydrophobicContact CG2-CD1 3.89Å; I153-R267 PolarHBondContact O-NH1 3.07Å; I153-I269 HydrophobicContact CD1-CD1 3.55Å; I153-I269 HydrophobicContact CD1-CG1 3.21Å; I153-V316 HydrophobicContact CD1-CG1 4.22Å; I153-V316 HydrophobicContact CD1-CG2 3.92Å; I153-V316 HydrophobicContact CG1-CG1 4.43Å; I153-V316 HydrophobicContact CG1-CG2 4.28Å
154A84.6Confident90.9Very high66 Ų6638.5 Ų38.555%0.54522%0.224SC..  trans55.186.3-17100000112I150 R267I150-A154 PolarHBondContact O-N 3.36Å; I150-A154 VanDerWaalsContact O-N 3.13Å; A154-R267 PolarHBondContact O-NH1 3.34Å
155V91.8Very high91.3Very high26 Ų2634 Ų3416%0.15821%0.208CC..  trans-77129.3176.3-173.90000109.7I153 D159 T179 A181 I239I153-V155 HydrophobicContact CG2-CG2 4.46Å; V155-D159 HydrophobicContact CG1-CB 4.11Å; V155-T179 HydrophobicContact CB-CG2 4.02Å; V155-T179 HydrophobicContact CG1-CG2 4.38Å; V155-T179 HydrophobicContact CG2-CG2 3.99Å; V155-A181 HydrophobicContact CG1-CB 3.79Å; V155-I239 HydrophobicContact CB-CD1 4.1Å; V155-I239 HydrophobicContact CG1-CD1 3.87Å; V155-I239 HydrophobicContact CG2-CD1 3.68Å
156T92.1Very high91.8Very high63 Ų6334.2 Ų34.239%0.38721%0.211SC..  trans-108.2169.5-175.1690000112.5D158 D159 A181T156-D158 PolarHBondContact O-N 2.93Å; T156-D158 PolarHBondContact OG1-N 2.95Å; T156-D159 WeakPolarHBondContact CB-OD2 3.44Å; T156-D159 PolarHBondContact N-OD2 2.99Å; T156-D159 WeakPolarHBondContact O-CB 3.39Å; T156-D159 PolarHBondContact O-N 2.81Å; T156-D159 PolarHBondContact OG1-N 3.41Å; T156-D159 PolarHBondContact OG1-OD2 3.36Å; T156-A181 WeakPolarHBondContact O-CA 3.45Å
157S94.2Very high91.9Very high79 Ų7934.4 Ų34.455%0.55221%0.213SC*.THydrogen-bonded Turntrans-70-7.9175.552.80000115.4D180 K182S157-D180 VanDerWaalsContact CA-O 3.25Å; S157-D180 WeakPolarHBondContact CA-O 3.1Å; S157-K182 WeakPolarHBondContact O-CB 3.5Å
158D94.8Very high92.1Very high136 Ų13634.3 Ų34.373%0.72721%0.212SC*.THydrogen-bonded Turntrans-97.7-15.5174-59.6-50.9000112.2T156T156-D158 PolarHBondContact O-N 2.93Å; T156-D158 PolarHBondContact OG1-N 2.95Å
159D95.5Very high92.5Very high12 Ų1232.8 Ų32.86%0.06421%0.205CC..PPolyproline II helixtrans-73.3126.7179.4-75.3-65.7000111.8V155 T156 K182 I239 R267V155-D159 HydrophobicContact CG1-CB 4.11Å; T156-D159 WeakPolarHBondContact CB-OD2 3.44Å; T156-D159 PolarHBondContact N-OD2 2.99Å; T156-D159 WeakPolarHBondContact O-CB 3.39Å; T156-D159 PolarHBondContact O-N 2.81Å; T156-D159 PolarHBondContact OG1-N 3.41Å; T156-D159 PolarHBondContact OG1-OD2 3.36Å; D159-K182 WeakPolarHBondContact O-CB 3.41Å; D159-K182 PolarHBondContact O-N 3.12Å; D159-I239 HydrophobicContact CB-CD1 4.02Å; D159-I239 HydrophobicContact CB-CG1 4.17Å; D159-I239 WeakPolarHBondContact OD1-CG1 3.47Å; D159-R267 IonicContact OD1-CZ 4Å; D159-R267 IonicContact OD1-NH2 2.66Å; D159-R267 PolarHBondContact OD1-NH2 3.03Å; D159-R267 IonicContact OD2-CZ 2.63Å; D159-R267 IonicContact OD2-NH2 3.24Å; D159-R267 PolarHBondContact OD2-NH2 3.44Å
160V96.9Very high92.8Very high39 Ų3934.3 Ų34.324%0.23621%0.212CC..EExtended strand (participates in β ladder)trans-92.2126158.2175.60000108.1I162 K182 F183 G238 I239V160-I162 HydrophobicContact CG1-CD1 4.48Å; V160-I162 HydrophobicContact CG1-CG1 4.15Å; V160-K182 HydrophobicContact CG2-CB 4.39Å; V160-F183 HydrophobicContact CG1-CB 4.41Å; V160-F183 HydrophobicContact CG2-CB 4.36Å; V160-G238 PolarHBondContact O-N 3.11Å; V160-I239 PolarHBondContact O-N 2.92Å
161F97.4Very high93.1Very high0 Ų033.6 Ų33.60%021%0.208CC..EExtended strand (participates in β ladder)trans-100.9130.7177.6176.8-91.8000110.7M149 D163 V171 V175 F183 C184 Y185 I239 F241M149-F161 HydrophobicContact CE-CE2 3.96Å; M149-F161 HydrophobicContact CE-CZ 4.42Å; F161-D163 HydrophobicContact CE1-CB 4.16Å; F161-V171 HydrophobicContact CE1-CG1 4.37Å; F161-V171 HydrophobicContact CZ-CG1 4Å; F161-V175 HydrophobicContact CB-CG1 4.25Å; F161-V175 HydrophobicContact CD1-CB 4.28Å; F161-V175 HydrophobicContact CD1-CG1 4.01Å; F161-V175 HydrophobicContact CD1-CG2 4.47Å; F161-V175 HydrophobicContact CD2-CG1 4.13Å; F161-V175 HydrophobicContact CE1-CB 4.29Å; F161-V175 HydrophobicContact CE1-CG1 4.42Å; F161-V175 HydrophobicContact CE1-CG2 4.07Å; F161-V175 HydrophobicContact CE2-CG2 4.2Å; F161-V175 HydrophobicContact CG-CG1 3.86Å; F161-V175 HydrophobicContact CZ-CG2 3.94Å; F161-F183 PolarHBondContact N-O 2.66Å; F161-C184 HydrophobicContact CD1-CB 4.37Å; F161-C184 CarbonylContact O-C 3.52Å; F161-C184 WeakPolarHBondContact O-CA 3.44Å; F161-Y185 PolarHBondContact O-N 3.28Å; F161-I239 WeakPolarHBondContact CA-O 3.39Å; F161-I239 HydrophobicContact CD2-CB 4.02Å; F161-I239 HydrophobicContact CD2-CG2 3.71Å; F161-I239 HydrophobicContact CE2-CG2 4.09Å; F161-F241 HydrophobicContact CE2-CB 3.98Å; F161-F241 HydrophobicContact CZ-CB 3.67Å; F161-F241 HydrophobicContact CZ-CG 4.47Å
162I97.5Very high93.5Very high4 Ų429 Ų292%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-131131.5175.8-52.5-171.1000110.9V160 L164 Y185 I187 K233 A237 I239 L240 F241V160-I162 HydrophobicContact CG1-CD1 4.48Å; V160-I162 HydrophobicContact CG1-CG1 4.15Å; I162-L164 HydrophobicContact CG2-CD2 3.72Å; I162-Y185 CarbonylContact C-O 3.59Å; I162-Y185 WeakPolarHBondContact CA-O 3.44Å; I162-Y185 HydrophobicContact CD1-CD1 4.29Å; I162-Y185 HydrophobicContact CG1-CD1 4.44Å; I162-Y185 HydrophobicContact CG2-CD1 4.05Å; I162-I187 HydrophobicContact CG2-CD1 4.03Å; I162-K233 HydrophobicContact CD1-CB 4.47Å; I162-K233 WeakPolarHBondContact CD1-O 3.18Å; I162-A237 HydrophobicContact CD1-CB 3.86Å; I162-A237 HydrophobicContact CG1-CB 4.01Å; I162-I239 PolarHBondContact N-O 3.03Å; I162-L240 HydrophobicContact CB-CD2 3.87Å; I162-L240 HydrophobicContact CG2-CD2 4.3Å; I162-L240 CarbonylContact O-C 3.55Å; I162-L240 WeakPolarHBondContact O-CA 3.22Å; I162-F241 PolarHBondContact O-N 2.83Å
163D96.7Very high94.1Very high4 Ų425 Ų252%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-102125.1172.3-172.91000110.8F161 S166 V172 Y185 I187 F241F161-D163 HydrophobicContact CE1-CB 4.16Å; D163-S166 WeakPolarHBondContact OD2-CA 3.04Å; D163-S166 WeakPolarHBondContact OD2-CB 3.4Å; D163-V172 HydrophobicContact CB-CG2 3.68Å; D163-Y185 PolarHBondContact N-O 2.77Å; D163-I187 PolarHBondContact O-N 3.09Å; D163-I187 VanDerWaalsContact O-N 3.12Å; D163-F241 WeakPolarHBondContact OD1-CD1 3.42Å
164L95.8Very high94.6Very high0 Ų024.5 Ų24.50%016%0.157CC..EExtended strand (participates in β ladder)trans-105102.3-174.9-54.4-176.5000110.8I162 I187 F225 I234 L240 F241 A242 L255 F259I162-L164 HydrophobicContact CG2-CD2 3.72Å; L164-I187 HydrophobicContact CD2-CD1 4.11Å; L164-F225 HydrophobicContact CB-CD1 4.15Å; L164-F225 HydrophobicContact CB-CE1 4.42Å; L164-F225 HydrophobicContact CB-CG 4.2Å; L164-F225 HydrophobicContact CD2-CB 3.95Å; L164-F225 HydrophobicContact CD2-CG 4.39Å; L164-I234 HydrophobicContact CD2-CD1 3.94Å; L164-I234 HydrophobicContact CD2-CG1 4.07Å; L164-L240 HydrophobicContact CD1-CD2 4.08Å; L164-L240 HydrophobicContact CD2-CD2 4.22Å; L164-L240 HydrophobicContact CG-CD2 4.18Å; L164-F241 PolarHBondContact N-O 2.77Å; L164-A242 HydrophobicContact CB-CB 4.23Å; L164-L255 HydrophobicContact CD1-CD2 3.81Å; L164-F259 HydrophobicContact CD1-CE1 4.11Å; L164-F259 HydrophobicContact CD1-CZ 4.16Å
165G93.6Very high95.1Very high22 Ų2221.4 Ų21.423%0.22713%0.131CC..SBendtrans8553.4-167.300000110.6G167 I187 E188G165-G167 PolarHBondContact O-N 3.48Å; G165-I187 WeakPolarHBondContact CA-O 3.44Å; G165-I187 PolarHBondContact N-O 3.09Å; G165-E188 WeakPolarHBondContact CA-OE2 3.38Å
166S94.7Very high95.4Very high10 Ų1020.1 Ų20.17%0.0712%0.123CC..  trans-71.9-5-169.458.60000115D163 V168 G169 G186 I187 E188D163-S166 WeakPolarHBondContact OD2-CA 3.04Å; D163-S166 WeakPolarHBondContact OD2-CB 3.4Å; S166-V168 PolarHBondContact O-N 3.02Å; S166-G169 WeakPolarHBondContact O-CA 3.14Å; S166-G169 PolarHBondContact O-N 3.06Å; S166-G186 WeakPolarHBondContact OG-CA 3.16Å; S166-I187 PolarHBondContact N-O 3.26Å; S166-I187 PolarHBondContact OG-N 3.31Å; S166-E188 PolarHBondContact N-OE2 2.9Å
167G92.8Very high95.6Very high5 Ų517.2 Ų17.25%0.05211%0.105CC..THydrogen-bonded Turntrans56.6-124.3-176.700000111.5G165 G169 E188G165-G167 PolarHBondContact O-N 3.48Å; G167-G169 PolarHBondContact O-N 3.02Å; G167-E188 WeakPolarHBondContact CA-OE2 3.49Å; G167-E188 PolarHBondContact N-OE2 3.28Å
168V93.4Very high95.6Very high1 Ų115 Ų151%0.0069%0.09CC..THydrogen-bonded Turntrans-74.4-3.2175.5-55.90000113.9Y117 V121 L127 Y138 S166 Q170 C196 A197 L200Y117-V168 HydrophobicContact CD2-CG2 4.45Å; Y117-V168 HydrophobicContact CE2-CG2 4.38Å; V121-V168 HydrophobicContact CG2-CG1 4.21Å; L127-V168 HydrophobicContact CD1-CG1 4.15Å; L127-V168 HydrophobicContact CD2-CG1 3.85Å; Y138-V168 HydrophobicContact CE2-CG1 4.29Å; S166-V168 PolarHBondContact O-N 3.02Å; V168-Q170 HydrophobicContact CG2-CB 4.29Å; V168-Q170 HydrophobicContact CG2-CG 4.49Å; V168-C196 HydrophobicContact CB-CB 4.45Å; V168-C196 HydrophobicContact CG1-CB 3.83Å; V168-A197 WeakPolarHBondContact O-CA 3.24Å; V168-A197 WeakPolarHBondContact O-CB 3.29Å; V168-L200 HydrophobicContact CB-CD2 4.46Å; V168-L200 HydrophobicContact CG2-CD2 4.29Å; V168-L200 WeakPolarHBondContact O-CD2 3.44Å
169G95.2Very high95.5Very high0 Ų08.9 Ų8.90%06%0.058CC..SBendtrans90.51.9174.900000116.3S166 G167 V171 V172 L173S166-G169 WeakPolarHBondContact O-CA 3.14Å; S166-G169 PolarHBondContact O-N 3.06Å; G167-G169 PolarHBondContact O-N 3.02Å; G169-V171 VanDerWaalsContact C-N 3.27Å; G169-V171 PolarHBondContact O-N 2.93Å; G169-V171 VanDerWaalsContact O-N 3.12Å; G169-V172 WeakPolarHBondContact O-CB 3.27Å; G169-V172 PolarHBondContact O-N 3.24Å; G169-L173 PolarHBondContact O-N 3.23Å
170Q93.5Very high95.4Very high37 Ų3711.6 Ų11.617%0.1737%0.072CC..Hα-helixtrans-54.6-35.1-171.669.6-168.535.800115.1T141 V168 Q174T141-Q170 PolarHBondContact O-NE2 2.73Å; T141-Q170 VanDerWaalsContact O-NE2 3.11Å; V168-Q170 HydrophobicContact CG2-CB 4.29Å; V168-Q170 HydrophobicContact CG2-CG 4.49Å; Q170-Q174 WeakPolarHBondContact O-CB 3.47Å; Q170-Q174 PolarHBondContact O-N 2.92Å
171V95.4Very high95.4Very high4 Ų49.7 Ų9.72%0.0246%0.061CC..Hα-helixtrans-67.5-43.2179.4-179.80000111T141 I146 F161 G169 L173 Q174 V175 F241T141-V171 WeakPolarHBondContact OG1-CG2 3.44Å; I146-V171 HydrophobicContact CD1-CG1 3.82Å; I146-V171 HydrophobicContact CD1-CG2 4.06Å; I146-V171 HydrophobicContact CG1-CG1 4.21Å; I146-V171 HydrophobicContact CG1-CG2 4.19Å; I146-V171 HydrophobicContact CG2-CG1 4.18Å; F161-V171 HydrophobicContact CE1-CG1 4.37Å; F161-V171 HydrophobicContact CZ-CG1 4Å; G169-V171 VanDerWaalsContact C-N 3.27Å; G169-V171 PolarHBondContact O-N 2.93Å; G169-V171 VanDerWaalsContact O-N 3.12Å; V171-L173 VanDerWaalsContact C-N 3.34Å; V171-L173 PolarHBondContact O-N 2.89Å; V171-Q174 PolarHBondContact O-N 2.87Å; V171-V175 HydrophobicContact CG1-CG2 4.41Å; V171-V175 VanDerWaalsContact O-CG2 3.3Å; V171-V175 WeakPolarHBondContact O-CG2 3.26Å; V171-V175 PolarHBondContact O-N 3.26Å; V171-F241 HydrophobicContact CG1-CD1 4.4Å; V171-F241 HydrophobicContact CG2-CE1 4.44Å
172V97.4Very high95.3Very high0 Ų016.3 Ų16.30%09%0.09CC..Hα-helixtrans-61.9-44.6179.8-175.10000110.4D163 G169 V175 C176 C184 Y185 L220D163-V172 HydrophobicContact CB-CG2 3.68Å; G169-V172 WeakPolarHBondContact O-CB 3.27Å; G169-V172 PolarHBondContact O-N 3.24Å; V172-V175 PolarHBondContact O-N 3.25Å; V172-C176 WeakPolarHBondContact O-CB 3.46Å; V172-C176 PolarHBondContact O-N 3.37Å; V172-C184 HydrophobicContact CG1-CB 3.72Å; V172-Y185 WeakPolarHBondContact CG2-O 3.26Å; V172-L220 HydrophobicContact CB-CD2 3.84Å; V172-L220 HydrophobicContact CG1-CD2 4.02Å; V172-L220 HydrophobicContact CG2-CD2 3.87Å
173L97.3Very high95.3Very high0 Ų019.5 Ų19.50%010%0.103CC..Hα-helixtrans-66.4-40.3177.8-58.7-179.5000112.1L113 G169 V171 C176 A177 L200 F204 Y218 L220L113-L173 HydrophobicContact CD2-CB 3.55Å; L113-L173 HydrophobicContact CD2-CD1 4.14Å; G169-L173 PolarHBondContact O-N 3.23Å; V171-L173 VanDerWaalsContact C-N 3.34Å; V171-L173 PolarHBondContact O-N 2.89Å; L173-C176 PolarHBondContact O-SG 2.56Å; L173-A177 WeakPolarHBondContact O-CB 3.39Å; L173-A177 PolarHBondContact O-N 2.99Å; L173-A177 VanDerWaalsContact O-N 3.09Å; L173-L200 HydrophobicContact CD1-CD2 3.56Å; L173-L200 HydrophobicContact CD1-CG 3.72Å; L173-F204 HydrophobicContact CB-CD2 4.07Å; L173-F204 HydrophobicContact CB-CE2 3.97Å; L173-F204 HydrophobicContact CB-CG 4.47Å; L173-F204 HydrophobicContact CB-CZ 4.29Å; L173-F204 HydrophobicContact CD1-CB 3.98Å; L173-F204 HydrophobicContact CD1-CD2 4.1Å; L173-F204 HydrophobicContact CD1-CG 4.04Å; L173-F204 HydrophobicContact CD2-CB 4.41Å; L173-F204 HydrophobicContact CD2-CD1 3.89Å; L173-F204 HydrophobicContact CD2-CD2 4.44Å; L173-F204 HydrophobicContact CD2-CE1 4.19Å; L173-F204 HydrophobicContact CD2-CG 4Å; L173-F204 HydrophobicContact CG-CD2 4.44Å; L173-F204 HydrophobicContact CG-CG 4.4Å; L173-Y218 HydrophobicContact CD2-CD1 4.42Å; L173-Y218 HydrophobicContact CD2-CD2 3.81Å; L173-Y218 HydrophobicContact CD2-CE1 3.97Å; L173-Y218 HydrophobicContact CD2-CE2 3.35Å; L173-Y218 HydrophobicContact CD2-CG 4.35Å; L173-Y218 VanDerWaalsContact CD2-CZ 3.44Å; L173-L220 HydrophobicContact CD2-CD1 4.33Å; L173-L220 HydrophobicContact CG-CD1 4.46Å
174Q96Very high95.3Very high7 Ų719.3 Ų19.33%0.03310%0.102CC..Hα-helixtrans-62.7-43.5173.9-174.4176.1-8.600111.9L113 F143 I146 S147 Q170 V171 S178L113-Q174 HydrophobicContact CD1-CB 3.74Å; L113-Q174 HydrophobicContact CD1-CG 4.24Å; F143-Q174 HydrophobicContact CD2-CG 4.04Å; F143-Q174 VanDerWaalsContact CD2-NE2 3.34Å; F143-Q174 HydrophobicContact CE2-CG 3.68Å; F143-Q174 VanDerWaalsContact CE2-NE2 3.34Å; F143-Q174 HydrophobicContact CZ-CG 4.39Å; F143-Q174 PolarHBondContact O-NE2 2.99Å; I146-Q174 HydrophobicContact CG2-CB 4.37Å; I146-Q174 HydrophobicContact CG2-CG 4.08Å; S147-Q174 PolarHBondContact OG-NE2 2.95Å; S147-Q174 VanDerWaalsContact OG-NE2 3.14Å; Q170-Q174 WeakPolarHBondContact O-CB 3.47Å; Q170-Q174 PolarHBondContact O-N 2.92Å; V171-Q174 PolarHBondContact O-N 2.87Å; Q174-S178 WeakPolarHBondContact O-CB 3.39Å; Q174-S178 PolarHBondContact O-N 3.3Å; Q174-S178 PolarHBondContact O-OG 3.12Å
175V96.3Very high95.4Very high0 Ų020 Ų200%011%0.105CC..Hα-helixtrans-68.5-40.8179.5174.10000111.2I146 M149 I150 F161 V171 V172 S178 T179I146-V175 HydrophobicContact CG2-CG2 4.12Å; M149-V175 HydrophobicContact CE-CG2 4.28Å; I150-V175 HydrophobicContact CD1-CG2 4.09Å; I150-V175 HydrophobicContact CG1-CG2 4.34Å; F161-V175 HydrophobicContact CB-CG1 4.25Å; F161-V175 HydrophobicContact CD1-CB 4.28Å; F161-V175 HydrophobicContact CD1-CG1 4.01Å; F161-V175 HydrophobicContact CD1-CG2 4.47Å; F161-V175 HydrophobicContact CD2-CG1 4.13Å; F161-V175 HydrophobicContact CE1-CB 4.29Å; F161-V175 HydrophobicContact CE1-CG1 4.42Å; F161-V175 HydrophobicContact CE1-CG2 4.07Å; F161-V175 HydrophobicContact CE2-CG2 4.2Å; F161-V175 HydrophobicContact CG-CG1 3.86Å; F161-V175 HydrophobicContact CZ-CG2 3.94Å; V171-V175 HydrophobicContact CG1-CG2 4.41Å; V171-V175 VanDerWaalsContact O-CG2 3.3Å; V171-V175 WeakPolarHBondContact O-CG2 3.26Å; V171-V175 PolarHBondContact O-N 3.26Å; V172-V175 PolarHBondContact O-N 3.25Å; V175-S178 PolarHBondContact O-N 2.92Å; V175-T179 HydrophobicContact CG1-CG2 3.99Å; V175-T179 WeakPolarHBondContact CG1-OG1 3.25Å; V175-T179 WeakPolarHBondContact O-CB 3.4Å; V175-T179 WeakPolarHBondContact O-CG2 3.37Å; V175-T179 PolarHBondContact O-N 2.92Å; V175-T179 PolarHBondContact O-OG1 3Å
176C96.5Very high95.6Very high0 Ų018.9 Ų18.90%09%0.094CC..Hα-helixtrans-70.6-31.6-179.683.50000113.1V172 L173 C184 R216 Y218V172-C176 WeakPolarHBondContact O-CB 3.46Å; V172-C176 PolarHBondContact O-N 3.37Å; L173-C176 PolarHBondContact O-SG 2.56Å; C176-C184 HydrophobicContact CB-CB 3.94Å; C176-R216 HydrophobicContact CB-CB 4.38Å; C176-R216 WeakPolarHBondContact CB-O 3.45Å; C176-R216 PolarHBondContact O-N 2.9Å; C176-Y218 HydrophobicContact CB-CD1 4.13Å; C176-Y218 HydrophobicContact CB-CG 4.48Å; C176-Y218 WeakPolarHBondContact SG-CD1 3.48Å
177A96.2Very high95.7Very high1 Ų118.4 Ų18.41%0.0089%0.091CC..Hα-helixtrans-72.9-43.9171.600000112.4V109 L173 F204 M208V109-A177 HydrophobicContact CG1-CB 3.83Å; V109-A177 HydrophobicContact CG2-CB 3.83Å; L173-A177 WeakPolarHBondContact O-CB 3.39Å; L173-A177 PolarHBondContact O-N 2.99Å; L173-A177 VanDerWaalsContact O-N 3.09Å; A177-F204 HydrophobicContact CB-CZ 4.16Å; A177-M208 HydrophobicContact CB-CE 4.15Å
178S94Very high95.8Very high34 Ų3418.9 Ų18.924%0.2389%0.092CC..Hα-helixtrans-85.2-31.4-168.5-53.30000113.7Q174 V175Q174-S178 WeakPolarHBondContact O-CB 3.39Å; Q174-S178 PolarHBondContact O-N 3.3Å; Q174-S178 PolarHBondContact O-OG 3.12Å; V175-S178 PolarHBondContact O-N 2.92Å
179T94.2Very high95.8Very high7 Ų723.7 Ų23.74%0.04311%0.112CC..SBendtrans-109.9169.7-17075.50000112.8K103 I150 V155 V175 A181 R216K103-T179 PolarHBondContact NZ-O 3.48Å; I150-T179 HydrophobicContact CB-CG2 4.35Å; I150-T179 HydrophobicContact CD1-CG2 3.89Å; I150-T179 HydrophobicContact CG1-CG2 3.81Å; I150-T179 HydrophobicContact CG2-CG2 3.61Å; V155-T179 HydrophobicContact CB-CG2 4.02Å; V155-T179 HydrophobicContact CG1-CG2 4.38Å; V155-T179 HydrophobicContact CG2-CG2 3.99Å; V175-T179 HydrophobicContact CG1-CG2 3.99Å; V175-T179 WeakPolarHBondContact CG1-OG1 3.25Å; V175-T179 WeakPolarHBondContact O-CB 3.4Å; V175-T179 WeakPolarHBondContact O-CG2 3.37Å; V175-T179 PolarHBondContact O-N 2.92Å; V175-T179 PolarHBondContact O-OG1 3Å; T179-A181 WeakPolarHBondContact OG1-CB 3.33Å; T179-A181 PolarHBondContact OG1-N 3.38Å; T179-R216 WeakPolarHBondContact O-CG 3.23Å
180D93.6Very high95.6Very high68 Ų6824.3 Ų24.336%0.36412%0.118SC..  trans-100.218.8175.8-72.1-66.9000113.3K103 S157 R216K103-D180 WeakPolarHBondContact CE-OD1 3.29Å; K103-D180 IonicContact NZ-OD1 2.72Å; K103-D180 PolarHBondContact NZ-OD1 3.13Å; K103-D180 IonicContact NZ-OD2 3.9Å; K103-D180 PolarHBondContact NZ-OD2 2.89Å; S157-D180 VanDerWaalsContact CA-O 3.25Å; S157-D180 WeakPolarHBondContact CA-O 3.1Å; D180-R216 IonicContact OD1-CZ 2.94Å; D180-R216 IonicContact OD1-NE 2.69Å; D180-R216 PolarHBondContact OD1-NE 3.29Å; D180-R216 VanDerWaalsContact OD1-NE 3.16Å; D180-R216 IonicContact OD1-NH2 3.07Å; D180-R216 PolarHBondContact OD1-NH2 3.01Å
181A95.4Very high95.5Very high0 Ų028.9 Ų28.90%014%0.139CC..  trans-43.7140.6175.500000112.7V155 T156 T179 F183 R216V155-A181 HydrophobicContact CG1-CB 3.79Å; T156-A181 WeakPolarHBondContact O-CA 3.45Å; T179-A181 WeakPolarHBondContact OG1-CB 3.33Å; T179-A181 PolarHBondContact OG1-N 3.38Å; A181-F183 VanDerWaalsContact C-N 3.26Å; A181-F183 PolarHBondContact O-N 3.12Å; A181-R216 WeakPolarHBondContact O-CB 3.36Å; A181-R216 WeakPolarHBondContact O-CD 3.24Å; A181-R216 VanDerWaalsContact O-CG 3.3Å; A181-R216 WeakPolarHBondContact O-CG 3.42Å
182K96.5Very high95.3Very high139 Ų13931.2 Ų31.260%0.60415%0.148SC*.SBendtrans-58.9-41.4177.9-170.3173.6-179.7174.80112S157 D159 V160S157-K182 WeakPolarHBondContact O-CB 3.5Å; D159-K182 WeakPolarHBondContact O-CB 3.41Å; D159-K182 PolarHBondContact O-N 3.12Å; V160-K182 HydrophobicContact CG2-CB 4.39Å
183F97Very high95.1Very high70 Ų7031.9 Ų31.931%0.30715%0.152SC..EExtended strand (participates in β ladder)trans-159.6144.6-176-159.7-98.9000109.6V160 F161 A181 Y185 P217 T219V160-F183 HydrophobicContact CG1-CB 4.41Å; V160-F183 HydrophobicContact CG2-CB 4.36Å; F161-F183 PolarHBondContact N-O 2.66Å; A181-F183 VanDerWaalsContact C-N 3.26Å; A181-F183 PolarHBondContact O-N 3.12Å; F183-Y185 AromaticContact CE1-CD2 3.83Å; F183-Y185 HydrophobicContact CE1-CD2 3.83Å; F183-Y185 HydrophobicContact CE1-CE2 4.44Å; F183-P217 WeakPolarHBondContact CA-O 3.48Å; F183-P217 HydrophobicContact CD2-CB 3.85Å; F183-P217 HydrophobicContact CE2-CB 3.99Å; F183-T219 WeakPolarHBondContact CZ-OG1 3.27Å
184C97.7Very high95Very high0 Ų032.4 Ų32.40%016%0.156CC..EExtended strand (participates in β ladder)trans-122.6140.3175.6-58.50000111.1F161 V172 C176 P217 Y218 T219F161-C184 HydrophobicContact CD1-CB 4.37Å; F161-C184 CarbonylContact O-C 3.52Å; F161-C184 WeakPolarHBondContact O-CA 3.44Å; V172-C184 HydrophobicContact CG1-CB 3.72Å; C176-C184 HydrophobicContact CB-CB 3.94Å; C184-P217 PolarHBondContact N-O 2.87Å; C184-Y218 CarbonylContact O-C 3.56Å; C184-Y218 WeakPolarHBondContact O-CA 3.32Å; C184-Y218 WeakPolarHBondContact O-CB 3.29Å; C184-T219 PolarHBondContact O-N 2.9Å; C184-T219 VanDerWaalsContact O-N 3.1Å
185Y96.7Very high94.9Very high14 Ų1436.9 Ų36.96%0.05518%0.177CC..EExtended strand (participates in β ladder)trans-140.3139.3-171-157.3-127.1000111.8F161 I162 D163 V172 F183 I187 T219 E221 Y230 K233F161-Y185 PolarHBondContact O-N 3.28Å; I162-Y185 CarbonylContact C-O 3.59Å; I162-Y185 WeakPolarHBondContact CA-O 3.44Å; I162-Y185 HydrophobicContact CD1-CD1 4.29Å; I162-Y185 HydrophobicContact CG1-CD1 4.44Å; I162-Y185 HydrophobicContact CG2-CD1 4.05Å; D163-Y185 PolarHBondContact N-O 2.77Å; V172-Y185 WeakPolarHBondContact CG2-O 3.26Å; F183-Y185 AromaticContact CE1-CD2 3.83Å; F183-Y185 HydrophobicContact CE1-CD2 3.83Å; F183-Y185 HydrophobicContact CE1-CE2 4.44Å; Y185-I187 HydrophobicContact CD1-CD1 4.01Å; Y185-I187 HydrophobicContact CD1-CG1 3.8Å; Y185-I187 HydrophobicContact CE1-CD1 3.93Å; Y185-I187 HydrophobicContact CE1-CG1 3.72Å; Y185-T219 WeakPolarHBondContact CA-O 3.42Å; Y185-T219 HydrophobicContact CE2-CG2 4.46Å; Y185-E221 HydrophobicContact CE2-CG 4.36Å; Y185-E221 VanDerWaalsContact CE2-OE1 3.26Å; Y185-E221 WeakPolarHBondContact CE2-OE1 3.2Å; Y185-E221 VanDerWaalsContact CZ-OE1 3.24Å; Y185-E221 PolarHBondContact OH-OE1 2.89Å; Y185-E221 PolarHBondContact OH-OE2 2.98Å; Y185-Y230 AromaticContact CE1-CD1 3.93Å; Y185-Y230 HydrophobicContact CE1-CD1 3.93Å; Y185-Y230 AromaticContact CE1-CE1 3.82Å; Y185-Y230 HydrophobicContact CE1-CE1 3.82Å; Y185-K233 HydrophobicContact CE1-CD 3.91Å; Y185-K233 WeakPolarHBondContact OH-CD 3.49Å; Y185-K233 WeakPolarHBondContact OH-CE 3.38Å; Y185-K233 PolarHBondContact OH-NZ 3.32Å
186G97.5Very high94.9Very high0 Ų036.9 Ų36.90%018%0.177CC..EExtended strand (participates in β ladder)trans-125.8131.6172.800000111.2S166 T219 E221S166-G186 WeakPolarHBondContact OG-CA 3.16Å; G186-T219 PolarHBondContact N-O 2.86Å; G186-E221 PolarHBondContact O-N 3.02Å
187I96.9Very high94.9Very high0 Ų037.1 Ų37.10%018%0.179CC..EExtended strand (participates in β ladder)trans-119.1117.5177.4-53161.5000108I162 D163 L164 G165 S166 Y185 G223 F225 Y230I162-I187 HydrophobicContact CG2-CD1 4.03Å; D163-I187 PolarHBondContact O-N 3.09Å; D163-I187 VanDerWaalsContact O-N 3.12Å; L164-I187 HydrophobicContact CD2-CD1 4.11Å; G165-I187 WeakPolarHBondContact CA-O 3.44Å; G165-I187 PolarHBondContact N-O 3.09Å; S166-I187 PolarHBondContact N-O 3.26Å; S166-I187 PolarHBondContact OG-N 3.31Å; Y185-I187 HydrophobicContact CD1-CD1 4.01Å; Y185-I187 HydrophobicContact CD1-CG1 3.8Å; Y185-I187 HydrophobicContact CE1-CD1 3.93Å; Y185-I187 HydrophobicContact CE1-CG1 3.72Å; I187-G223 WeakPolarHBondContact CG2-O 3.45Å; I187-F225 HydrophobicContact CB-CB 4.42Å; I187-F225 HydrophobicContact CD1-CB 4.15Å; I187-F225 HydrophobicContact CG2-CB 4.09Å; I187-Y230 HydrophobicContact CD1-CD1 3.35Å; I187-Y230 HydrophobicContact CD1-CE1 3.91Å; I187-Y230 HydrophobicContact CD1-CG 3.81Å; I187-Y230 HydrophobicContact CG1-CD1 3.85Å; I187-Y230 HydrophobicContact CG1-CE1 3.84Å; I187-Y230 HydrophobicContact CG2-CD1 4.46Å; I187-Y230 HydrophobicContact CG2-CD2 4.44Å; I187-Y230 HydrophobicContact CG2-CE1 4.23Å; I187-Y230 HydrophobicContact CG2-CE2 4.22Å
188E95.5Very high94.9Very high15 Ų1540.6 Ų40.67%0.0720%0.203CC..EExtended strand (participates in β ladder)trans-126.2133.8177.9-177.748-115.200112.2G165 S166 G167 A190 P193 A194 E221 R222 G223G165-E188 WeakPolarHBondContact CA-OE2 3.38Å; S166-E188 PolarHBondContact N-OE2 2.9Å; G167-E188 WeakPolarHBondContact CA-OE2 3.49Å; G167-E188 PolarHBondContact N-OE2 3.28Å; E188-A190 WeakPolarHBondContact OE1-CB 3.3Å; E188-A190 PolarHBondContact OE1-N 3.31Å; E188-P193 HydrophobicContact CG-CB 3.95Å; E188-A194 HydrophobicContact CB-CB 4.37Å; E188-A194 HydrophobicContact CG-CB 4.31Å; E188-E221 PolarHBondContact N-O 2.93Å; E188-R222 CarbonylContact O-C 3.54Å; E188-R222 VanDerWaalsContact O-CA 3.24Å; E188-R222 WeakPolarHBondContact O-CA 3.48Å; E188-G223 CarbonylContact C-O 3.58Å; E188-G223 PolarHBondContact O-N 3.38Å
189K93.5Very high95Very high101 Ų10142.9 Ų42.944%0.43921%0.207SC..  trans-95.3-28.6-175.2-175.5173.7-179.9169.60112.8G223 D224K189-G223 WeakPolarHBondContact CA-O 3.48Å; K189-G223 PolarHBondContact N-O 2.52Å; K189-D224 HydrophobicContact CD-CB 4.09Å; K189-D224 VanDerWaalsContact CE-OD2 3.29Å; K189-D224 WeakPolarHBondContact CE-OD2 3.27Å; K189-D224 HydrophobicContact CG-CB 4.45Å; K189-D224 IonicContact NZ-OD2 3.25Å; K189-D224 PolarHBondContact NZ-OD2 3.41Å
190A90.2Very high95Very high14 Ų1442.6 Ų42.612%0.11621%0.205CC..SBendtrans-77.9129.5-179.700000111.3E188 Y192 P193 A194E188-A190 WeakPolarHBondContact OE1-CB 3.3Å; E188-A190 PolarHBondContact OE1-N 3.31Å; A190-Y192 PolarHBondContact O-N 2.65Å; A190-P193 HydrophobicContact CB-CG 3.86Å; A190-A194 VanDerWaalsContact O-CB 3.31Å; A190-A194 WeakPolarHBondContact O-CB 3.45Å; A190-A194 PolarHBondContact O-N 3.04Å
191E91.8Very high95.2Very high133 Ų13340.8 Ų40.862%0.62120%0.195SC*.Hα-helixtrans-65.8-42.5-169.1-171.716212600114H195 R222E191-H195 WeakPolarHBondContact O-CB 3.27Å; E191-H195 PolarHBondContact O-N 2.99Å; E191-R222 IonicContact OE2-CZ 3.17Å; E191-R222 IonicContact OE2-NE 3.1Å; E191-R222 IonicContact OE2-NH2 3.35Å; E191-R222 PolarHBondContact OE2-NH2 3.2Å
192Y91.5Very high95.3Very high53 Ų5344.4 Ų44.421%0.20822%0.22CC..Hα-helixtrans-70.6-48.3-179.4-177.9-103.9000112.9D123 K126 L127 A190 A194 H195 C196D123-Y192 PolarHBondContact N-OH 3.32Å; D123-Y192 WeakPolarHBondContact O-CE1 3.5Å; D123-Y192 PolarHBondContact O-OH 3.29Å; K126-Y192 HydrophobicContact CB-CD1 3.51Å; K126-Y192 HydrophobicContact CB-CE1 3.32Å; K126-Y192 HydrophobicContact CB-CE2 4.39Å; K126-Y192 HydrophobicContact CB-CG 4.14Å; K126-Y192 HydrophobicContact CD-CD2 4.1Å; K126-Y192 HydrophobicContact CD-CE1 4.35Å; K126-Y192 HydrophobicContact CD-CE2 3.91Å; K126-Y192 HydrophobicContact CD-CG 4.42Å; K126-Y192 HydrophobicContact CG-CE1 4.47Å; L127-Y192 HydrophobicContact CD2-CD1 3.85Å; L127-Y192 HydrophobicContact CD2-CE1 3.81Å; L127-Y192 HydrophobicContact CG-CD1 4.41Å; L127-Y192 HydrophobicContact CG-CE1 4.03Å; A190-Y192 PolarHBondContact O-N 2.65Å; Y192-A194 VanDerWaalsContact C-N 3.32Å; Y192-A194 PolarHBondContact O-N 2.66Å; Y192-H195 PolarHBondContact O-N 3.28Å; Y192-C196 VanDerWaalsContact CZ-SG 3.56Å; Y192-C196 PolarHBondContact O-N 3.1Å
193P92.9Very high95.3Very high13 Ų1338.3 Ų38.38%0.08420%0.196CC..Hα-helixtrans-55.8-41.5170.7-28.236.8000113.6L127 E188 A190 C196 A197L127-P193 HydrophobicContact CD2-CB 4.32Å; L127-P193 HydrophobicContact CD2-CG 3.99Å; E188-P193 HydrophobicContact CG-CB 3.95Å; A190-P193 HydrophobicContact CB-CG 3.86Å; P193-C196 CarbonylContact O-C 3.56Å; P193-C196 WeakPolarHBondContact O-CB 3.41Å; P193-C196 PolarHBondContact O-N 3.14Å; P193-A197 WeakPolarHBondContact O-CB 3.24Å; P193-A197 PolarHBondContact O-N 3.39Å
194A94.7Very high95.3Very high11 Ų1135 Ų359%0.09118%0.181CC..Hα-helixtrans-67.6-35.5176.800000113.4E188 A190 Y192 A197 S198 R222E188-A194 HydrophobicContact CB-CB 4.37Å; E188-A194 HydrophobicContact CG-CB 4.31Å; A190-A194 VanDerWaalsContact O-CB 3.31Å; A190-A194 WeakPolarHBondContact O-CB 3.45Å; A190-A194 PolarHBondContact O-N 3.04Å; Y192-A194 VanDerWaalsContact C-N 3.32Å; Y192-A194 PolarHBondContact O-N 2.66Å; A194-A197 WeakPolarHBondContact O-CB 3.5Å; A194-A197 PolarHBondContact O-N 2.94Å; A194-S198 PolarHBondContact O-N 3.35Å; A194-S198 VanDerWaalsContact O-N 3.1Å; A194-R222 HydrophobicContact CB-CB 3.85Å; A194-R222 HydrophobicContact CB-CG 3.86Å
195H95.2Very high95.3Very high102 Ų10238.7 Ų38.747%0.47220%0.195SC..Hα-helixtrans-65.1-42.4171.3175.276.5000111.6E191 Y192 A197 S198 R199E191-H195 WeakPolarHBondContact O-CB 3.27Å; E191-H195 PolarHBondContact O-N 2.99Å; Y192-H195 PolarHBondContact O-N 3.28Å; H195-A197 VanDerWaalsContact C-N 3.31Å; H195-A197 PolarHBondContact O-N 3.31Å; H195-S198 PolarHBondContact O-N 3.43Å; H195-R199 PolarHBondContact O-N 2.84Å
196C94.6Very high95.2Very high0 Ų042.3 Ų42.30%021%0.213CC..Hα-helixtrans-61.6-37.8171.1-76.90000112.1V121 V168 Y192 P193 S198 R199 L200V121-C196 HydrophobicContact CG2-CB 4.27Å; V168-C196 HydrophobicContact CB-CB 4.45Å; V168-C196 HydrophobicContact CG1-CB 3.83Å; Y192-C196 VanDerWaalsContact CZ-SG 3.56Å; Y192-C196 PolarHBondContact O-N 3.1Å; P193-C196 CarbonylContact O-C 3.56Å; P193-C196 WeakPolarHBondContact O-CB 3.41Å; P193-C196 PolarHBondContact O-N 3.14Å; C196-S198 PolarHBondContact O-N 3.08Å; C196-R199 PolarHBondContact O-N 3.31Å; C196-L200 WeakPolarHBondContact O-CB 3.3Å; C196-L200 PolarHBondContact O-N 2.9Å
197A96.2Very high95.1Very high5 Ų542.3 Ų42.34%0.04121%0.213CC..Hα-helixtrans-62.3-40.1176.700000112.8V168 P193 A194 H195 R199 L200 D201 L220V168-A197 WeakPolarHBondContact O-CA 3.24Å; V168-A197 WeakPolarHBondContact O-CB 3.29Å; P193-A197 WeakPolarHBondContact O-CB 3.24Å; P193-A197 PolarHBondContact O-N 3.39Å; A194-A197 WeakPolarHBondContact O-CB 3.5Å; A194-A197 PolarHBondContact O-N 2.94Å; H195-A197 VanDerWaalsContact C-N 3.31Å; H195-A197 PolarHBondContact O-N 3.31Å; A197-R199 VanDerWaalsContact C-N 3.34Å; A197-R199 PolarHBondContact O-N 2.91Å; A197-L200 PolarHBondContact O-N 2.62Å; A197-D201 WeakPolarHBondContact O-CB 3.5Å; A197-D201 PolarHBondContact O-N 3Å; A197-L220 HydrophobicContact CB-CB 4.39Å; A197-L220 HydrophobicContact CB-CD1 4.18Å
198S96.5Very high95.1Very high73 Ų7342.3 Ų42.351%0.5121%0.213SC..Hα-helixtrans-63.8-37.6173.9176.20000112.6A194 H195 C196 S202A194-S198 PolarHBondContact O-N 3.35Å; A194-S198 VanDerWaalsContact O-N 3.1Å; H195-S198 PolarHBondContact O-N 3.43Å; C196-S198 PolarHBondContact O-N 3.08Å; S198-S202 PolarHBondContact O-N 2.86Å; S198-S202 PolarHBondContact O-OG 3.08Å
199R96.4Very high95.1Very high83 Ų8343.3 Ų43.331%0.31322%0.221SC..Hα-helixtrans-69.9-35172.3-68.9174.260-175.7-7.4112.2R119 A120 S122 H195 C196 A197 A203R119-R199 PolarHBondContact O-NH2 3Å; A120-R199 HydrophobicContact CB-CB 3.81Å; A120-R199 PolarHBondContact O-NE 2.83Å; A120-R199 PolarHBondContact O-NH1 2.82Å; A120-R199 PolarHBondContact O-NH2 3.18Å; S122-R199 PolarHBondContact OG-NH1 3.35Å; H195-R199 PolarHBondContact O-N 2.84Å; C196-R199 PolarHBondContact O-N 3.31Å; A197-R199 VanDerWaalsContact C-N 3.34Å; A197-R199 PolarHBondContact O-N 2.91Å; R199-A203 WeakPolarHBondContact O-CB 3.41Å; R199-A203 PolarHBondContact O-N 3.24Å
200L95.5Very high95.2Very high1 Ų138.9 Ų38.91%0.00520%0.202CC..Hα-helixtrans-70.5-41.6178.7-161.875.3000111.6C116 A120 V168 L173 C196 A197 A203 F204C116-L200 VanDerWaalsContact C-CD1 3.42Å; C116-L200 HydrophobicContact CB-CD1 3.64Å; C116-L200 HydrophobicContact CB-CG 4.39Å; A120-L200 HydrophobicContact CB-CB 3.9Å; A120-L200 HydrophobicContact CB-CD1 3.7Å; A120-L200 HydrophobicContact CB-CG 4.45Å; V168-L200 HydrophobicContact CB-CD2 4.46Å; V168-L200 HydrophobicContact CG2-CD2 4.29Å; V168-L200 WeakPolarHBondContact O-CD2 3.44Å; L173-L200 HydrophobicContact CD1-CD2 3.56Å; L173-L200 HydrophobicContact CD1-CG 3.72Å; C196-L200 WeakPolarHBondContact O-CB 3.3Å; C196-L200 PolarHBondContact O-N 2.9Å; A197-L200 PolarHBondContact O-N 2.62Å; L200-A203 PolarHBondContact O-N 3.14Å; L200-F204 WeakPolarHBondContact O-CB 3.31Å; L200-F204 PolarHBondContact O-N 3.39Å
201D97.2Very high95.5Very high30 Ų3038.3 Ų38.316%0.1620%0.197CC..Hα-helixtrans-55.2-54.3170.8-176.417000110.8A197 A203 F204 R205 Y218 L220A197-D201 WeakPolarHBondContact O-CB 3.5Å; A197-D201 PolarHBondContact O-N 3Å; D201-A203 VanDerWaalsContact C-N 3.33Å; D201-A203 PolarHBondContact O-N 3.3Å; D201-F204 PolarHBondContact O-N 3.04Å; D201-F204 VanDerWaalsContact O-N 3.14Å; D201-R205 WeakPolarHBondContact O-CG 3.37Å; D201-R205 PolarHBondContact O-N 3.3Å; D201-R205 IonicContact OD1-CZ 2.79Å; D201-R205 IonicContact OD1-NE 2.98Å; D201-R205 PolarHBondContact OD1-NE 3.42Å; D201-R205 IonicContact OD1-NH2 3.27Å; D201-R205 PolarHBondContact OD1-NH2 2.99Å; D201-R205 IonicContact OD2-NE 3.88Å; D201-R205 IonicContact OD2-NH2 2.71Å; D201-Y218 WeakPolarHBondContact OD1-CE2 3.25Å; D201-Y218 PolarHBondContact OD1-OH 3.09Å; D201-L220 HydrophobicContact CB-CD1 4.34Å
202S96.7Very high95.6Very high75 Ų7532 Ų3252%0.52417%0.167SC..Hα-helixtrans-54.8-46.7178.1-53.30000112.2S198 H206S198-S202 PolarHBondContact O-N 2.86Å; S198-S202 PolarHBondContact O-OG 3.08Å; S202-H206 PolarHBondContact O-N 3.13Å
203A96Very high95.8Very high12 Ų1229.6 Ų29.610%0.09916%0.158CC..Hα-helixtrans-68.4-38.6178.100000112.6C116 R199 L200 D201 H206 W207C116-A203 HydrophobicContact CB-CB 3.95Å; C116-A203 VanDerWaalsContact SG-C 3.54Å; R199-A203 WeakPolarHBondContact O-CB 3.41Å; R199-A203 PolarHBondContact O-N 3.24Å; L200-A203 PolarHBondContact O-N 3.14Å; D201-A203 VanDerWaalsContact C-N 3.33Å; D201-A203 PolarHBondContact O-N 3.3Å; A203-H206 PolarHBondContact O-N 2.92Å; A203-W207 PolarHBondContact O-N 2.91Å
204F97.7Very high95.9Very high0 Ų030.2 Ų30.20%016%0.163CC..Hα-helixtrans-67.7-43.7-178.5179.1-91.4000112I112 L113 C116 L173 A177 L200 D201 H206 W207 M208 Y215 Y218I112-F204 HydrophobicContact CG2-CD2 4.2Å; I112-F204 HydrophobicContact CG2-CE2 4.44Å; L113-F204 HydrophobicContact CD2-CD2 3.91Å; L113-F204 HydrophobicContact CD2-CE2 3.97Å; C116-F204 VanDerWaalsContact SG-CA 3.52Å; L173-F204 HydrophobicContact CB-CD2 4.07Å; L173-F204 HydrophobicContact CB-CE2 3.97Å; L173-F204 HydrophobicContact CB-CG 4.47Å; L173-F204 HydrophobicContact CB-CZ 4.29Å; L173-F204 HydrophobicContact CD1-CB 3.98Å; L173-F204 HydrophobicContact CD1-CD2 4.1Å; L173-F204 HydrophobicContact CD1-CG 4.04Å; L173-F204 HydrophobicContact CD2-CB 4.41Å; L173-F204 HydrophobicContact CD2-CD1 3.89Å; L173-F204 HydrophobicContact CD2-CD2 4.44Å; L173-F204 HydrophobicContact CD2-CE1 4.19Å; L173-F204 HydrophobicContact CD2-CG 4Å; L173-F204 HydrophobicContact CG-CD2 4.44Å; L173-F204 HydrophobicContact CG-CG 4.4Å; A177-F204 HydrophobicContact CB-CZ 4.16Å; L200-F204 WeakPolarHBondContact O-CB 3.31Å; L200-F204 PolarHBondContact O-N 3.39Å; D201-F204 PolarHBondContact O-N 3.04Å; D201-F204 VanDerWaalsContact O-N 3.14Å; F204-H206 VanDerWaalsContact C-N 3.33Å; F204-H206 PolarHBondContact O-N 2.98Å; F204-W207 PolarHBondContact O-N 3.38Å; F204-M208 HydrophobicContact CD1-CG 4Å; F204-M208 HydrophobicContact CD2-CG 4.14Å; F204-M208 HydrophobicContact CE1-CG 3.7Å; F204-M208 HydrophobicContact CE2-CG 3.84Å; F204-M208 HydrophobicContact CE2-SD 4.16Å; F204-M208 HydrophobicContact CG-CG 4.23Å; F204-M208 HydrophobicContact CZ-CE 4.2Å; F204-M208 HydrophobicContact CZ-CG 3.63Å; F204-M208 HydrophobicContact CZ-SD 4.11Å; F204-M208 VanDerWaalsContact O-CB 3.3Å; F204-M208 WeakPolarHBondContact O-CB 3.45Å; F204-M208 VanDerWaalsContact O-CG 3.26Å; F204-M208 WeakPolarHBondContact O-CG 3.45Å; F204-M208 PolarHBondContact O-N 3.49Å; F204-Y215 HydrophobicContact CE1-CD1 4.17Å; F204-Y215 HydrophobicContact CE1-CD2 4.18Å; F204-Y215 AromaticContact CE1-CG 3.92Å; F204-Y215 HydrophobicContact CE1-CG 3.92Å; F204-Y218 AromaticContact CD1-CE1 3.87Å; F204-Y218 HydrophobicContact CD1-CE1 3.87Å; F204-Y218 AromaticContact CD1-CZ 3.87Å; F204-Y218 WeakPolarHBondContact CD1-OH 3.36Å; F204-Y218 AromaticContact CE1-CE1 3.74Å; F204-Y218 HydrophobicContact CE1-CE1 3.74Å
205R97Very high96Very high78 Ų7832.6 Ų32.629%0.29417%0.17SC..Hα-helixtrans-61.1-43.3174.7-63.7-174.7-169.2-103-3.3111.5D201 S209 Y218D201-R205 WeakPolarHBondContact O-CG 3.37Å; D201-R205 PolarHBondContact O-N 3.3Å; D201-R205 IonicContact OD1-CZ 2.79Å; D201-R205 IonicContact OD1-NE 2.98Å; D201-R205 PolarHBondContact OD1-NE 3.42Å; D201-R205 IonicContact OD1-NH2 3.27Å; D201-R205 PolarHBondContact OD1-NH2 2.99Å; D201-R205 IonicContact OD2-NE 3.88Å; D201-R205 IonicContact OD2-NH2 2.71Å; R205-S209 VanDerWaalsContact O-CB 3.23Å; R205-S209 WeakPolarHBondContact O-CB 3.47Å; R205-S209 PolarHBondContact O-N 3.41Å; R205-Y218 VanDerWaalsContact CG-OH 3.29Å; R205-Y218 WeakPolarHBondContact CG-OH 3.44Å; R205-Y218 PolarHBondContact NE-OH 2.94Å; R205-Y218 PolarHBondContact NH2-O 3.12Å
206H95.6Very high96.1Very high89 Ų8932.6 Ų32.641%0.41217%0.166SC..Hα-helixtrans-58.6-53.8175.4-176.874000112E18 S202 A203 F204 S209 F210E18-H206 IonicContact OE2-CD2 3.12Å; E18-H206 IonicContact OE2-CE1 3.28Å; E18-H206 IonicContact OE2-NE2 2.71Å; E18-H206 PolarHBondContact OE2-NE2 3.01Å; S202-H206 PolarHBondContact O-N 3.13Å; A203-H206 PolarHBondContact O-N 2.92Å; F204-H206 VanDerWaalsContact C-N 3.33Å; F204-H206 PolarHBondContact O-N 2.98Å; H206-S209 WeakPolarHBondContact O-CB 3.23Å; H206-S209 PolarHBondContact O-N 3.15Å; H206-F210 WeakPolarHBondContact O-CB 3.35Å; H206-F210 PolarHBondContact O-N 2.71Å
207W96.2Very high96.2Very high0 Ų034.4 Ų34.40%018%0.178CC..Hα-helixtrans-69.6-39.8-177.1-77110.9000113.5E18 F20 V40 I112 Q115 A203 F204 S209 F210 Y211E18-W207 HydrophobicContact CG-CH2 3.8Å; E18-W207 HydrophobicContact CG-CZ2 4.17Å; E18-W207 WeakPolarHBondContact OE1-CZ2 3.4Å; F20-W207 AromaticContact CZ-CH2 3.91Å; F20-W207 HydrophobicContact CZ-CH2 3.91Å; V40-W207 HydrophobicContact CG1-CZ3 4.31Å; V40-W207 HydrophobicContact CG2-CH2 4.45Å; V40-W207 HydrophobicContact CG2-CZ3 4.45Å; I112-W207 HydrophobicContact CG2-CB 4.04Å; Q115-W207 VanDerWaalsContact CD-CE2 3.49Å; Q115-W207 HydrophobicContact CG-CD2 4.24Å; Q115-W207 HydrophobicContact CG-CG 4.49Å; Q115-W207 HydrophobicContact CG-CZ2 4.32Å; Q115-W207 VanDerWaalsContact NE2-CZ2 3.29Å; Q115-W207 VanDerWaalsContact OE1-CD2 3.3Å; A203-W207 PolarHBondContact O-N 2.91Å; F204-W207 PolarHBondContact O-N 3.38Å; W207-S209 VanDerWaalsContact C-N 3.29Å; W207-S209 PolarHBondContact O-N 2.79Å; W207-F210 HydrophobicContact CE3-CB 4.03Å; W207-F210 AromaticContact CE3-CD1 3.82Å; W207-F210 HydrophobicContact CE3-CD1 3.82Å; W207-F210 HydrophobicContact CE3-CE1 4.48Å; W207-F210 AromaticContact CE3-CG 3.92Å; W207-F210 HydrophobicContact CE3-CG 3.92Å; W207-F210 HydrophobicContact CZ3-CB 4.4Å; W207-F210 AromaticContact CZ3-CD1 3.6Å; W207-F210 HydrophobicContact CZ3-CD1 3.6Å; W207-F210 HydrophobicContact CZ3-CD2 4.16Å; W207-F210 AromaticContact CZ3-CE1 3.83Å; W207-F210 HydrophobicContact CZ3-CE1 3.83Å; W207-F210 HydrophobicContact CZ3-CE2 4.36Å; W207-F210 AromaticContact CZ3-CG 3.8Å; W207-F210 HydrophobicContact CZ3-CG 3.8Å; W207-F210 HydrophobicContact CZ3-CZ 4.21Å; W207-F210 PolarHBondContact O-N 3.19Å; W207-Y211 HydrophobicContact CB-CE2 4.23Å; W207-Y211 HydrophobicContact CD2-CE2 4.27Å; W207-Y211 HydrophobicContact CE3-CD2 4.34Å; W207-Y211 AromaticContact CE3-CE2 3.46Å; W207-Y211 HydrophobicContact CE3-CE2 3.46Å; W207-Y211 VanDerWaalsContact CE3-CE2 3.46Å; W207-Y211 AromaticContact CE3-CZ 3.64Å; W207-Y211 HydrophobicContact CZ3-CE2 4.2Å; W207-Y211 AromaticContact CZ3-CZ 3.9Å; W207-Y211 WeakPolarHBondContact CZ3-OH 3.35Å; W207-Y211 WeakPolarHBondContact O-CD2 3.44Å; W207-Y211 PolarHBondContact O-N 3.32Å
208M96.6Very high96.3Very high0 Ų034.5 Ų34.50%018%0.177CC..Hα-helixtrans-62.6-37.4173.6-69-65.4-80.400111.6I112 A177 F204 G212 K213 Y215I112-M208 HydrophobicContact CD1-SD 3.7Å; I112-M208 HydrophobicContact CG2-CG 4.44Å; I112-M208 HydrophobicContact CG2-SD 4.17Å; A177-M208 HydrophobicContact CB-CE 4.15Å; F204-M208 HydrophobicContact CD1-CG 4Å; F204-M208 HydrophobicContact CD2-CG 4.14Å; F204-M208 HydrophobicContact CE1-CG 3.7Å; F204-M208 HydrophobicContact CE2-CG 3.84Å; F204-M208 HydrophobicContact CE2-SD 4.16Å; F204-M208 HydrophobicContact CG-CG 4.23Å; F204-M208 HydrophobicContact CZ-CE 4.2Å; F204-M208 HydrophobicContact CZ-CG 3.63Å; F204-M208 HydrophobicContact CZ-SD 4.11Å; F204-M208 VanDerWaalsContact O-CB 3.3Å; F204-M208 WeakPolarHBondContact O-CB 3.45Å; F204-M208 VanDerWaalsContact O-CG 3.26Å; F204-M208 WeakPolarHBondContact O-CG 3.45Å; F204-M208 PolarHBondContact O-N 3.49Å; M208-G212 PolarHBondContact O-N 3.26Å; M208-G212 VanDerWaalsContact O-N 3.09Å; M208-K213 HydrophobicContact CE-CB 3.63Å; M208-K213 PolarHBondContact O-N 3.03Å; M208-K213 HydrophobicContact SD-CB 3.97Å; M208-Y215 HydrophobicContact CB-CD1 3.72Å; M208-Y215 HydrophobicContact CB-CE1 3.79Å; M208-Y215 HydrophobicContact CE-CD1 4.04Å; M208-Y215 HydrophobicContact CE-CG 4.47Å; M208-Y215 HydrophobicContact CG-CD1 4Å; M208-Y215 HydrophobicContact CG-CE1 4.42Å
209S95.6Very high96.3Very high37 Ų3733.2 Ų33.226%0.25917%0.166SC..Hα-helixtrans-65.4-46.8172.2-170.70000112A13 R205 H206 W207 Y211 G212A13-S209 WeakPolarHBondContact CB-O 3.29Å; R205-S209 VanDerWaalsContact O-CB 3.23Å; R205-S209 WeakPolarHBondContact O-CB 3.47Å; R205-S209 PolarHBondContact O-N 3.41Å; H206-S209 WeakPolarHBondContact O-CB 3.23Å; H206-S209 PolarHBondContact O-N 3.15Å; W207-S209 VanDerWaalsContact C-N 3.29Å; W207-S209 PolarHBondContact O-N 2.79Å; S209-Y211 VanDerWaalsContact C-N 3.34Å; S209-Y211 PolarHBondContact O-N 3.23Å; S209-G212 WeakPolarHBondContact O-CA 3.39Å; S209-G212 PolarHBondContact O-N 3.33Å
210F96Very high96.4Very high7 Ų730.5 Ų30.53%0.03116%0.158CC..Hα-helixtrans-55.4-43.8177.9-179.7-82.4000112.8V9 S11 P12 A13 E18 V40 V44 H206 W207 G212V9-F210 HydrophobicContact CG1-CZ 4.04Å; S11-F210 PolarHBondContact OG-O 2.9Å; P12-F210 WeakPolarHBondContact CD-O 3.39Å; A13-F210 WeakPolarHBondContact CB-O 3.47Å; E18-F210 HydrophobicContact CB-CD2 4.33Å; E18-F210 HydrophobicContact CB-CE2 3.78Å; V40-F210 HydrophobicContact CG1-CE1 3.89Å; V40-F210 HydrophobicContact CG1-CZ 4.19Å; V44-F210 HydrophobicContact CG2-CE1 4.46Å; H206-F210 WeakPolarHBondContact O-CB 3.35Å; H206-F210 PolarHBondContact O-N 2.71Å; W207-F210 HydrophobicContact CE3-CB 4.03Å; W207-F210 AromaticContact CE3-CD1 3.82Å; W207-F210 HydrophobicContact CE3-CD1 3.82Å; W207-F210 HydrophobicContact CE3-CE1 4.48Å; W207-F210 AromaticContact CE3-CG 3.92Å; W207-F210 HydrophobicContact CE3-CG 3.92Å; W207-F210 HydrophobicContact CZ3-CB 4.4Å; W207-F210 AromaticContact CZ3-CD1 3.6Å; W207-F210 HydrophobicContact CZ3-CD1 3.6Å; W207-F210 HydrophobicContact CZ3-CD2 4.16Å; W207-F210 AromaticContact CZ3-CE1 3.83Å; W207-F210 HydrophobicContact CZ3-CE1 3.83Å; W207-F210 HydrophobicContact CZ3-CE2 4.36Å; W207-F210 AromaticContact CZ3-CG 3.8Å; W207-F210 HydrophobicContact CZ3-CG 3.8Å; W207-F210 HydrophobicContact CZ3-CZ 4.21Å; W207-F210 PolarHBondContact O-N 3.19Å; F210-G212 VanDerWaalsContact C-N 3.33Å
211Y95.9Very high96.4Very high3 Ų333.2 Ų33.21%0.01217%0.17CC..THydrogen-bonded Turntrans-84.5-3.6176-58.2-65.4000113.7V40 V44 H108 I112 Q115 W207 S209 K213V40-Y211 HydrophobicContact CG1-CE1 4.23Å; V40-Y211 WeakPolarHBondContact CG2-OH 3.43Å; V44-Y211 HydrophobicContact CG2-CD1 4.03Å; V44-Y211 HydrophobicContact CG2-CE1 4.03Å; H108-Y211 AromaticContact CE1-CG 3.94Å; H108-Y211 AromaticContact NE2-CD1 3.69Å; H108-Y211 AromaticContact NE2-CD2 3.75Å; H108-Y211 AromaticContact NE2-CE1 3.97Å; H108-Y211 AromaticContact NE2-CG 3.6Å; I112-Y211 HydrophobicContact CD1-CD2 3.62Å; I112-Y211 HydrophobicContact CD1-CE2 4.09Å; I112-Y211 HydrophobicContact CD1-CG 4.49Å; I112-Y211 HydrophobicContact CG1-CD2 3.76Å; I112-Y211 HydrophobicContact CG1-CE2 3.67Å; Q115-Y211 PolarHBondContact OE1-OH 2.93Å; W207-Y211 HydrophobicContact CB-CE2 4.23Å; W207-Y211 HydrophobicContact CD2-CE2 4.27Å; W207-Y211 HydrophobicContact CE3-CD2 4.34Å; W207-Y211 AromaticContact CE3-CE2 3.46Å; W207-Y211 HydrophobicContact CE3-CE2 3.46Å; W207-Y211 VanDerWaalsContact CE3-CE2 3.46Å; W207-Y211 AromaticContact CE3-CZ 3.64Å; W207-Y211 HydrophobicContact CZ3-CE2 4.2Å; W207-Y211 AromaticContact CZ3-CZ 3.9Å; W207-Y211 WeakPolarHBondContact CZ3-OH 3.35Å; W207-Y211 WeakPolarHBondContact O-CD2 3.44Å; W207-Y211 PolarHBondContact O-N 3.32Å; S209-Y211 VanDerWaalsContact C-N 3.34Å; S209-Y211 PolarHBondContact O-N 3.23Å; Y211-K213 WeakPolarHBondContact O-CE 3.16Å; Y211-K213 PolarHBondContact O-NZ 3.01Å
212G94.4Very high96.3Very high0 Ų039.2 Ų39.20%019%0.191CC..THydrogen-bonded Turntrans67.137.6-179.100000113.8N101 M208 S209 F210N101-G212 PolarHBondContact N-O 3.35Å; M208-G212 PolarHBondContact O-N 3.26Å; M208-G212 VanDerWaalsContact O-N 3.09Å; S209-G212 WeakPolarHBondContact O-CA 3.39Å; S209-G212 PolarHBondContact O-N 3.33Å; F210-G212 VanDerWaalsContact C-N 3.33Å
213K95.8Very high96.3Very high3 Ų336.2 Ų36.21%0.01317%0.172CC..BIsolated β-bridgetrans-106.2128-171.2-56.4-57.4168.9-153.50112.8D47 F99 R102 A104 M208 Y211D47-K213 IonicContact OD1-NZ 2.69Å; D47-K213 PolarHBondContact OD1-NZ 3.15Å; D47-K213 VanDerWaalsContact OD2-CE 3.27Å; D47-K213 WeakPolarHBondContact OD2-CE 3.38Å; D47-K213 IonicContact OD2-NZ 3.82Å; D47-K213 PolarHBondContact OD2-NZ 2.88Å; F99-K213 PolarHBondContact O-NZ 2.69Å; R102-K213 WeakPolarHBondContact O-CA 3.43Å; R102-K213 WeakPolarHBondContact O-CD 3.34Å; A104-K213 HydrophobicContact CB-CB 4.38Å; A104-K213 HydrophobicContact CB-CD 4.35Å; A104-K213 HydrophobicContact CB-CG 4.12Å; M208-K213 HydrophobicContact CE-CB 3.63Å; M208-K213 PolarHBondContact O-N 3.03Å; M208-K213 HydrophobicContact SD-CB 3.97Å; Y211-K213 WeakPolarHBondContact O-CE 3.16Å; Y211-K213 PolarHBondContact O-NZ 3.01Å
214S94.6Very high96.2Very high26 Ų2637.8 Ų37.818%0.18218%0.178CC..  trans-70.5138.3176.464.80000111.7N101 R102 K103N101-S214 WeakPolarHBondContact O-CB 3.44Å; N101-S214 PolarHBondContact O-OG 3.26Å; N101-S214 WeakPolarHBondContact OD1-CB 3.39Å; R102-S214 PolarHBondContact O-N 2.86Å; K103-S214 WeakPolarHBondContact CG-OG 3.43Å; K103-S214 PolarHBondContact N-OG 2.97Å
215Y96.4Very high96Very high61 Ų6138.2 Ų38.224%0.23918%0.18CC..  trans-131.1164.4166.554.1-86.1000110.2F204 M208 Y218F204-Y215 HydrophobicContact CE1-CD1 4.17Å; F204-Y215 HydrophobicContact CE1-CD2 4.18Å; F204-Y215 AromaticContact CE1-CG 3.92Å; F204-Y215 HydrophobicContact CE1-CG 3.92Å; M208-Y215 HydrophobicContact CB-CD1 3.72Å; M208-Y215 HydrophobicContact CB-CE1 3.79Å; M208-Y215 HydrophobicContact CE-CD1 4.04Å; M208-Y215 HydrophobicContact CE-CG 4.47Å; M208-Y215 HydrophobicContact CG-CD1 4Å; M208-Y215 HydrophobicContact CG-CE1 4.42Å; Y215-Y218 AromaticContact CD2-CD1 3.84Å; Y215-Y218 HydrophobicContact CD2-CD1 3.84Å; Y215-Y218 AromaticContact CD2-CE1 3.59Å; Y215-Y218 HydrophobicContact CD2-CE1 3.59Å; Y215-Y218 HydrophobicContact CE2-CD1 4.08Å; Y215-Y218 AromaticContact CE2-CE1 3.55Å; Y215-Y218 HydrophobicContact CE2-CE1 3.55Å
216R96.5Very high95.8Very high101 Ų10136.1 Ų36.138%0.38118%0.175SC..  trans-85.3149174.9-65.4-69168.5-160.60.4111.1C176 T179 D180 A181 Y218C176-R216 HydrophobicContact CB-CB 4.38Å; C176-R216 WeakPolarHBondContact CB-O 3.45Å; C176-R216 PolarHBondContact O-N 2.9Å; T179-R216 WeakPolarHBondContact O-CG 3.23Å; D180-R216 IonicContact OD1-CZ 2.94Å; D180-R216 IonicContact OD1-NE 2.69Å; D180-R216 PolarHBondContact OD1-NE 3.29Å; D180-R216 VanDerWaalsContact OD1-NE 3.16Å; D180-R216 IonicContact OD1-NH2 3.07Å; D180-R216 PolarHBondContact OD1-NH2 3.01Å; A181-R216 WeakPolarHBondContact O-CB 3.36Å; A181-R216 WeakPolarHBondContact O-CD 3.24Å; A181-R216 VanDerWaalsContact O-CG 3.3Å; A181-R216 WeakPolarHBondContact O-CG 3.42Å; R216-Y218 PolarHBondContact O-N 3.41Å
217P97.2Very high95.7Very high39 Ų3933.7 Ų33.725%0.25317%0.168SC..  trans-56137.8-178.9-26.335.5000112.5F183 C184F183-P217 WeakPolarHBondContact CA-O 3.48Å; F183-P217 HydrophobicContact CD2-CB 3.85Å; F183-P217 HydrophobicContact CE2-CB 3.99Å; C184-P217 PolarHBondContact N-O 2.87Å
218Y98.1Very high95.5Very high6 Ų637.6 Ų37.62%0.02420%0.2CC..EExtended strand (participates in β ladder)trans-149.6165-179.273.1-91.5000113.3L173 C176 C184 D201 F204 R205 Y215 R216 L220L173-Y218 HydrophobicContact CD2-CD1 4.42Å; L173-Y218 HydrophobicContact CD2-CD2 3.81Å; L173-Y218 HydrophobicContact CD2-CE1 3.97Å; L173-Y218 HydrophobicContact CD2-CE2 3.35Å; L173-Y218 HydrophobicContact CD2-CG 4.35Å; L173-Y218 VanDerWaalsContact CD2-CZ 3.44Å; C176-Y218 HydrophobicContact CB-CD1 4.13Å; C176-Y218 HydrophobicContact CB-CG 4.48Å; C176-Y218 WeakPolarHBondContact SG-CD1 3.48Å; C184-Y218 CarbonylContact O-C 3.56Å; C184-Y218 WeakPolarHBondContact O-CA 3.32Å; C184-Y218 WeakPolarHBondContact O-CB 3.29Å; D201-Y218 WeakPolarHBondContact OD1-CE2 3.25Å; D201-Y218 PolarHBondContact OD1-OH 3.09Å; F204-Y218 AromaticContact CD1-CE1 3.87Å; F204-Y218 HydrophobicContact CD1-CE1 3.87Å; F204-Y218 AromaticContact CD1-CZ 3.87Å; F204-Y218 WeakPolarHBondContact CD1-OH 3.36Å; F204-Y218 AromaticContact CE1-CE1 3.74Å; F204-Y218 HydrophobicContact CE1-CE1 3.74Å; R205-Y218 VanDerWaalsContact CG-OH 3.29Å; R205-Y218 WeakPolarHBondContact CG-OH 3.44Å; R205-Y218 PolarHBondContact NE-OH 2.94Å; R205-Y218 PolarHBondContact NH2-O 3.12Å; Y215-Y218 AromaticContact CD2-CD1 3.84Å; Y215-Y218 HydrophobicContact CD2-CD1 3.84Å; Y215-Y218 AromaticContact CD2-CE1 3.59Å; Y215-Y218 HydrophobicContact CD2-CE1 3.59Å; Y215-Y218 HydrophobicContact CE2-CD1 4.08Å; Y215-Y218 AromaticContact CE2-CE1 3.55Å; Y215-Y218 HydrophobicContact CE2-CE1 3.55Å; R216-Y218 PolarHBondContact O-N 3.41Å; Y218-L220 HydrophobicContact CD2-CG 4.48Å
219T97.5Very high95.4Very high47 Ų4743 Ų4329%0.28823%0.225SC..EExtended strand (participates in β ladder)trans-144.8145.7171.4-40.70000111F183 C184 Y185 G186 E221F183-T219 WeakPolarHBondContact CZ-OG1 3.27Å; C184-T219 PolarHBondContact O-N 2.9Å; C184-T219 VanDerWaalsContact O-N 3.1Å; Y185-T219 WeakPolarHBondContact CA-O 3.42Å; Y185-T219 HydrophobicContact CE2-CG2 4.46Å; G186-T219 PolarHBondContact N-O 2.86Å; T219-E221 HydrophobicContact CG2-CG 4.05Å
220L97.6Very high95.3Very high26 Ų2641.6 Ų41.614%0.13621%0.214CC..EExtended strand (participates in β ladder)trans-119.2117.8173.2-63.7176000108.3V172 L173 A197 D201 Y218V172-L220 HydrophobicContact CB-CD2 3.84Å; V172-L220 HydrophobicContact CG1-CD2 4.02Å; V172-L220 HydrophobicContact CG2-CD2 3.87Å; L173-L220 HydrophobicContact CD2-CD1 4.33Å; L173-L220 HydrophobicContact CG-CD1 4.46Å; A197-L220 HydrophobicContact CB-CB 4.39Å; A197-L220 HydrophobicContact CB-CD1 4.18Å; D201-L220 HydrophobicContact CB-CD1 4.34Å; Y218-L220 HydrophobicContact CD2-CG 4.48Å
221E95.3Very high95.2Very high58 Ų5845.4 Ų45.427%0.27123%0.232SC..EExtended strand (participates in β ladder)trans-120.4143.7-173.3-75.3-179.2-152.500113.3Y185 G186 E188 T219 G223 Y230 K233Y185-E221 HydrophobicContact CE2-CG 4.36Å; Y185-E221 VanDerWaalsContact CE2-OE1 3.26Å; Y185-E221 WeakPolarHBondContact CE2-OE1 3.2Å; Y185-E221 VanDerWaalsContact CZ-OE1 3.24Å; Y185-E221 PolarHBondContact OH-OE1 2.89Å; Y185-E221 PolarHBondContact OH-OE2 2.98Å; G186-E221 PolarHBondContact O-N 3.02Å; E188-E221 PolarHBondContact N-O 2.93Å; T219-E221 HydrophobicContact CG2-CG 4.05Å; E221-G223 PolarHBondContact O-N 2.99Å; E221-Y230 WeakPolarHBondContact OE2-CE1 3.4Å; E221-Y230 PolarHBondContact OE2-OH 2.67Å; E221-K233 IonicContact OE2-NZ 3.35Å
222R96.5Very high95Very high156 Ų15652 Ų5259%0.58926%0.263SS*.EExtended strand (participates in β ladder)trans-82.895.8168.5-174.7178.2170.6-81.711.6109.5E188 E191 A194E188-R222 CarbonylContact O-C 3.54Å; E188-R222 VanDerWaalsContact O-CA 3.24Å; E188-R222 WeakPolarHBondContact O-CA 3.48Å; E191-R222 IonicContact OE2-CZ 3.17Å; E191-R222 IonicContact OE2-NE 3.1Å; E191-R222 IonicContact OE2-NH2 3.35Å; E191-R222 PolarHBondContact OE2-NH2 3.2Å; A194-R222 HydrophobicContact CB-CB 3.85Å; A194-R222 HydrophobicContact CB-CG 3.86Å
223G95.1Very high94.9Very high12 Ų1255.3 Ų55.312%0.12428%0.277CS..  trans-151.8166.7-173.500000113.9I187 E188 K189 E221I187-G223 WeakPolarHBondContact CG2-O 3.45Å; E188-G223 CarbonylContact C-O 3.58Å; E188-G223 PolarHBondContact O-N 3.38Å; K189-G223 WeakPolarHBondContact CA-O 3.48Å; K189-G223 PolarHBondContact N-O 2.52Å; E221-G223 PolarHBondContact O-N 2.99Å
224D94.6Very high94.9Very high44 Ų4455.1 Ų55.124%0.23528%0.277CS..  trans-104.3110.6172.1-172.7-11.6000109.7K189 L226 S227 Y230K189-D224 HydrophobicContact CD-CB 4.09Å; K189-D224 VanDerWaalsContact CE-OD2 3.29Å; K189-D224 WeakPolarHBondContact CE-OD2 3.27Å; K189-D224 HydrophobicContact CG-CB 4.45Å; K189-D224 IonicContact NZ-OD2 3.25Å; K189-D224 PolarHBondContact NZ-OD2 3.41Å; D224-L226 PolarHBondContact O-N 3.06Å; D224-L226 WeakPolarHBondContact OD1-CB 3.46Å; D224-L226 PolarHBondContact OD1-N 2.92Å; D224-S227 VanDerWaalsContact O-CB 3.25Å; D224-S227 WeakPolarHBondContact O-CB 3.45Å; D224-S227 PolarHBondContact O-N 2.63Å; D224-S227 PolarHBondContact O-OG 3.24Å; D224-Y230 VanDerWaalsContact O-CD2 3.23Å; D224-Y230 WeakPolarHBondContact O-CD2 3.34Å
225F93.9Very high94.9Very high10 Ų1055.5 Ų55.54%0.04428%0.278CS..THydrogen-bonded Turntrans-62.7-9.617957.2-105.1000114.2L164 I187 I234 F247 V251 L255 R258L164-F225 HydrophobicContact CB-CD1 4.15Å; L164-F225 HydrophobicContact CB-CE1 4.42Å; L164-F225 HydrophobicContact CB-CG 4.2Å; L164-F225 HydrophobicContact CD2-CB 3.95Å; L164-F225 HydrophobicContact CD2-CG 4.39Å; I187-F225 HydrophobicContact CB-CB 4.42Å; I187-F225 HydrophobicContact CD1-CB 4.15Å; I187-F225 HydrophobicContact CG2-CB 4.09Å; F225-I234 HydrophobicContact CB-CD1 4.25Å; F225-I234 WeakPolarHBondContact O-CD1 3.4Å; F225-F247 HydrophobicContact CE1-CZ 4.42Å; F225-F247 AromaticContact CZ-CE2 3.84Å; F225-F247 HydrophobicContact CZ-CE2 3.84Å; F225-F247 AromaticContact CZ-CZ 3.99Å; F225-F247 HydrophobicContact CZ-CZ 3.99Å; F225-V251 HydrophobicContact CE2-CG1 4.06Å; F225-V251 HydrophobicContact CZ-CG1 4.32Å; F225-L255 HydrophobicContact CD2-CD2 3.95Å; F225-L255 HydrophobicContact CE2-CD1 4.43Å; F225-L255 HydrophobicContact CE2-CD2 3.91Å; F225-L255 HydrophobicContact CE2-CG 4.37Å; F225-R258 PolarHBondContact O-NH1 3.29Å
226L93.3Very high94.7Very high33 Ų3355.9 Ų55.917%0.17328%0.284CS..THydrogen-bonded Turntrans-89.4-3.4171.6-56173.1000113.4D224 V251 Q254 L255 R258D224-L226 PolarHBondContact O-N 3.06Å; D224-L226 WeakPolarHBondContact OD1-CB 3.46Å; D224-L226 PolarHBondContact OD1-N 2.92Å; L226-V251 HydrophobicContact CD1-CG1 4.26Å; L226-V251 HydrophobicContact CD1-CG2 3.98Å; L226-Q254 HydrophobicContact CD2-CB 3.96Å; L226-L255 HydrophobicContact CD2-CD2 4.41Å; L226-R258 PolarHBondContact O-NH2 3.1Å
227S93.6Very high94.7Very high38 Ų3851.1 Ų51.127%0.26627%0.266SS..SBendtrans-71.7163.5174.792.30000112.3D224 E229 Y230 R258D224-S227 VanDerWaalsContact O-CB 3.25Å; D224-S227 WeakPolarHBondContact O-CB 3.45Å; D224-S227 PolarHBondContact O-N 2.63Å; D224-S227 PolarHBondContact O-OG 3.24Å; S227-E229 VanDerWaalsContact C-N 3.29Å; S227-E229 PolarHBondContact O-N 3.41Å; S227-E229 WeakPolarHBondContact OG-CB 3.38Å; S227-E229 PolarHBondContact OG-N 2.93Å; S227-Y230 WeakPolarHBondContact OG-CD2 3.34Å; S227-R258 VanDerWaalsContact O-CZ 3.23Å; S227-R258 PolarHBondContact O-NH1 3.19Å; S227-R258 PolarHBondContact O-NH2 3.26Å
228A92.1Very high94.6Very high82 Ų8250.1 Ų50.168%0.67826%0.263SS*.SBendtrans-65.3-33.1175.500000112.6Y230 Q231A228-Y230 PolarHBondContact O-N 3.3Å; A228-Q231 WeakPolarHBondContact O-CB 3.43Å; A228-Q231 PolarHBondContact O-N 3.46Å
229E93.8Very high94.5Very high115 Ų11549.9 Ų49.954%0.53726%0.262SS..Hα-helixtrans-58.4-44.2-176.2-167-148.8130.800112.6S227 Q231 K233S227-E229 VanDerWaalsContact C-N 3.29Å; S227-E229 PolarHBondContact O-N 3.41Å; S227-E229 WeakPolarHBondContact OG-CB 3.38Å; S227-E229 PolarHBondContact OG-N 2.93Å; E229-Q231 VanDerWaalsContact C-N 3.29Å; E229-Q231 PolarHBondContact O-N 3.41Å; E229-K233 IonicContact OE1-NZ 2.76Å; E229-K233 PolarHBondContact OE1-NZ 3.34Å
230Y93.6Very high94.5Very high7 Ų747.8 Ų47.83%0.02725%0.249CC..Hα-helixtrans-81.1-4.2179.1-61.3-78.3000113.6Y185 I187 E221 D224 S227 A228 E232 K233 I234Y185-Y230 AromaticContact CE1-CD1 3.93Å; Y185-Y230 HydrophobicContact CE1-CD1 3.93Å; Y185-Y230 AromaticContact CE1-CE1 3.82Å; Y185-Y230 HydrophobicContact CE1-CE1 3.82Å; I187-Y230 HydrophobicContact CD1-CD1 3.35Å; I187-Y230 HydrophobicContact CD1-CE1 3.91Å; I187-Y230 HydrophobicContact CD1-CG 3.81Å; I187-Y230 HydrophobicContact CG1-CD1 3.85Å; I187-Y230 HydrophobicContact CG1-CE1 3.84Å; I187-Y230 HydrophobicContact CG2-CD1 4.46Å; I187-Y230 HydrophobicContact CG2-CD2 4.44Å; I187-Y230 HydrophobicContact CG2-CE1 4.23Å; I187-Y230 HydrophobicContact CG2-CE2 4.22Å; E221-Y230 WeakPolarHBondContact OE2-CE1 3.4Å; E221-Y230 PolarHBondContact OE2-OH 2.67Å; D224-Y230 VanDerWaalsContact O-CD2 3.23Å; D224-Y230 WeakPolarHBondContact O-CD2 3.34Å; S227-Y230 WeakPolarHBondContact OG-CD2 3.34Å; A228-Y230 PolarHBondContact O-N 3.3Å; Y230-E232 PolarHBondContact O-N 2.98Å; Y230-K233 HydrophobicContact CD1-CD 3.55Å; Y230-K233 HydrophobicContact CE1-CD 4.01Å; Y230-K233 HydrophobicContact CG-CD 4.45Å; Y230-K233 PolarHBondContact O-N 2.83Å; Y230-I234 WeakPolarHBondContact O-CB 3.47Å; Y230-I234 WeakPolarHBondContact O-CD1 3.27Å; Y230-I234 WeakPolarHBondContact O-CG1 3.39Å; Y230-I234 PolarHBondContact O-N 3.39Å
231Q92.7Very high94.4Very high86 Ų8646.6 Ų46.640%0.40224%0.243SC..Hα-helixtrans-64.5-42.9-175.6-175.8174.2-36.700112.4A228 E229 T235A228-Q231 WeakPolarHBondContact O-CB 3.43Å; A228-Q231 PolarHBondContact O-N 3.46Å; E229-Q231 VanDerWaalsContact C-N 3.29Å; E229-Q231 PolarHBondContact O-N 3.41Å; Q231-T235 WeakPolarHBondContact O-CB 3.12Å; Q231-T235 PolarHBondContact O-N 3.32Å; Q231-T235 PolarHBondContact O-OG1 2.81Å
232E92.7Very high94.3Very high142 Ų14243.9 Ų43.966%0.66423%0.23SC*.Hα-helixtrans-71.8-43.7176-178171.1-170.500111.6Y230 I234 T235 N236Y230-E232 PolarHBondContact O-N 2.98Å; E232-I234 VanDerWaalsContact C-N 3.31Å; E232-I234 PolarHBondContact O-N 3.14Å; E232-T235 PolarHBondContact O-N 2.86Å; E232-N236 VanDerWaalsContact CG-ND2 3.26Å; E232-N236 WeakPolarHBondContact CG-ND2 3.26Å; E232-N236 WeakPolarHBondContact O-CB 3.44Å; E232-N236 PolarHBondContact O-N 3.18Å; E232-N236 PolarHBondContact O-ND2 3.35Å
233K93Very high94Very high69 Ų6937.9 Ų37.930%0.321%0.21SC..Hα-helixtrans-52.5-49.3175.2-63.4172.7177.7174.40110.5I162 Y185 E221 E229 Y230 A237I162-K233 HydrophobicContact CD1-CB 4.47Å; I162-K233 WeakPolarHBondContact CD1-O 3.18Å; Y185-K233 HydrophobicContact CE1-CD 3.91Å; Y185-K233 WeakPolarHBondContact OH-CD 3.49Å; Y185-K233 WeakPolarHBondContact OH-CE 3.38Å; Y185-K233 PolarHBondContact OH-NZ 3.32Å; E221-K233 IonicContact OE2-NZ 3.35Å; E229-K233 IonicContact OE1-NZ 2.76Å; E229-K233 PolarHBondContact OE1-NZ 3.34Å; Y230-K233 HydrophobicContact CD1-CD 3.55Å; Y230-K233 HydrophobicContact CE1-CD 4.01Å; Y230-K233 HydrophobicContact CG-CD 4.45Å; Y230-K233 PolarHBondContact O-N 2.83Å; K233-A237 PolarHBondContact O-N 3.19Å
234I94.8Very high93.8Very high0 Ų037.3 Ų37.30%020%0.204CC..Hα-helixtrans-66.4-45.6177.2-68.7166.3000111.8L164 F225 Y230 E232 N236 A237 L240 L262L164-I234 HydrophobicContact CD2-CD1 3.94Å; L164-I234 HydrophobicContact CD2-CG1 4.07Å; F225-I234 HydrophobicContact CB-CD1 4.25Å; F225-I234 WeakPolarHBondContact O-CD1 3.4Å; Y230-I234 WeakPolarHBondContact O-CB 3.47Å; Y230-I234 WeakPolarHBondContact O-CD1 3.27Å; Y230-I234 WeakPolarHBondContact O-CG1 3.39Å; Y230-I234 PolarHBondContact O-N 3.39Å; E232-I234 VanDerWaalsContact C-N 3.31Å; E232-I234 PolarHBondContact O-N 3.14Å; I234-N236 PolarHBondContact O-N 3.27Å; I234-A237 WeakPolarHBondContact O-CB 3.48Å; I234-A237 PolarHBondContact O-N 3.43Å; I234-A237 VanDerWaalsContact O-N 3.16Å; I234-L240 HydrophobicContact CG2-CD1 4.16Å; I234-L240 HydrophobicContact CG2-CD2 4.14Å; I234-L262 WeakPolarHBondContact O-CD2 3.4Å
235T94.2Very high93.3Very high33 Ų3340.1 Ų40.120%0.20221%0.214CC..Hα-helixtrans-63.9-29.5-177.5-64.60000112.2Q231 E232 N261Q231-T235 WeakPolarHBondContact O-CB 3.12Å; Q231-T235 PolarHBondContact O-N 3.32Å; Q231-T235 PolarHBondContact O-OG1 2.81Å; E232-T235 PolarHBondContact O-N 2.86Å; T235-N261 HydrophobicContact CG2-CB 4.15Å
236N93.2Very high92.6Very high70 Ų7041 Ų4137%0.37422%0.224SC..Hα-helixtrans-83.7-13177.6-84.1-58.9000115E232 I234 K263E232-N236 VanDerWaalsContact CG-ND2 3.26Å; E232-N236 WeakPolarHBondContact CG-ND2 3.26Å; E232-N236 WeakPolarHBondContact O-CB 3.44Å; E232-N236 PolarHBondContact O-N 3.18Å; E232-N236 PolarHBondContact O-ND2 3.35Å; I234-N236 PolarHBondContact O-N 3.27Å; N236-K263 PolarHBondContact O-NZ 3Å; N236-K263 VanDerWaalsContact OD1-CE 3.27Å; N236-K263 WeakPolarHBondContact OD1-CE 3.4Å; N236-K263 PolarHBondContact OD1-NZ 3.39Å
237A95.1Very high92.3Very high1 Ų140 Ų401%0.00822%0.218CC..  trans-66.1145.5-175.500000113.5I162 K233 I234 L240I162-A237 HydrophobicContact CD1-CB 3.86Å; I162-A237 HydrophobicContact CG1-CB 4.01Å; K233-A237 PolarHBondContact O-N 3.19Å; I234-A237 WeakPolarHBondContact O-CB 3.48Å; I234-A237 PolarHBondContact O-N 3.43Å; I234-A237 VanDerWaalsContact O-N 3.16Å; A237-L240 HydrophobicContact CB-CD1 4.45Å; A237-L240 HydrophobicContact CB-CD2 4.27Å; A237-L240 HydrophobicContact CB-CG 4.1Å
238G95.1Very high91.8Very high18 Ų1839.2 Ų39.219%0.18622%0.216CC..SBendtrans-88.8-33.9172.300000112.4V160 A266 R267V160-G238 PolarHBondContact O-N 3.11Å; G238-A266 WeakPolarHBondContact O-CA 3.31Å; G238-R267 PolarHBondContact O-N 3.06Å
239I96.6Very high91.6Very high1 Ų140.5 Ų40.51%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-135.6131.4-178.8-51.2-179.7000110.1I153 V155 D159 V160 F161 I162 R267 I269I153-I239 HydrophobicContact CG2-CD1 3.89Å; V155-I239 HydrophobicContact CB-CD1 4.1Å; V155-I239 HydrophobicContact CG1-CD1 3.87Å; V155-I239 HydrophobicContact CG2-CD1 3.68Å; D159-I239 HydrophobicContact CB-CD1 4.02Å; D159-I239 HydrophobicContact CB-CG1 4.17Å; D159-I239 WeakPolarHBondContact OD1-CG1 3.47Å; V160-I239 PolarHBondContact O-N 2.92Å; F161-I239 WeakPolarHBondContact CA-O 3.39Å; F161-I239 HydrophobicContact CD2-CB 4.02Å; F161-I239 HydrophobicContact CD2-CG2 3.71Å; F161-I239 HydrophobicContact CE2-CG2 4.09Å; I162-I239 PolarHBondContact N-O 3.03Å; I239-R267 CarbonylContact C-O 3.27Å; I239-R267 WeakPolarHBondContact CA-O 3.48Å; I239-I269 HydrophobicContact CG2-CD1 3.37Å
240L96.8Very high91.5Very high2 Ų240.3 Ų40.31%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-122.7130.2177.8-76.3155.2000110.2I162 L164 I234 A237 F259 L262 R267 I268 I269I162-L240 HydrophobicContact CB-CD2 3.87Å; I162-L240 HydrophobicContact CG2-CD2 4.3Å; I162-L240 CarbonylContact O-C 3.55Å; I162-L240 WeakPolarHBondContact O-CA 3.22Å; L164-L240 HydrophobicContact CD1-CD2 4.08Å; L164-L240 HydrophobicContact CD2-CD2 4.22Å; L164-L240 HydrophobicContact CG-CD2 4.18Å; I234-L240 HydrophobicContact CG2-CD1 4.16Å; I234-L240 HydrophobicContact CG2-CD2 4.14Å; A237-L240 HydrophobicContact CB-CD1 4.45Å; A237-L240 HydrophobicContact CB-CD2 4.27Å; A237-L240 HydrophobicContact CB-CG 4.1Å; L240-F259 HydrophobicContact CD1-CD1 4.21Å; L240-F259 HydrophobicContact CD1-CE1 4.01Å; L240-L262 HydrophobicContact CD1-CD1 3.67Å; L240-L262 HydrophobicContact CD1-CD2 3.6Å; L240-L262 HydrophobicContact CD1-CG 4.28Å; L240-R267 PolarHBondContact N-O 3.5Å; L240-I268 HydrophobicContact CB-CG1 4.4Å; L240-I268 HydrophobicContact CB-CG2 4.2Å; L240-I268 HydrophobicContact CD1-CG1 4.42Å; L240-I268 CarbonylContact O-C 3.59Å; L240-I268 WeakPolarHBondContact O-CA 3.37Å; L240-I269 VanDerWaalsContact O-CD1 3.31Å; L240-I269 WeakPolarHBondContact O-CD1 3.16Å; L240-I269 PolarHBondContact O-N 2.91Å
241F95.5Very high91.4Very high2 Ų240.6 Ų40.61%0.00922%0.219CC..EExtended strand (participates in β ladder)trans-108.6140.7168.7-172.6-93.4000109.8T141 I146 M149 F161 I162 D163 L164 V171 N243 I269 Y314T141-F241 HydrophobicContact CG2-CE1 4.07Å; T141-F241 HydrophobicContact CG2-CZ 3.84Å; I146-F241 HydrophobicContact CD1-CE2 3.84Å; I146-F241 HydrophobicContact CD1-CZ 3.9Å; M149-F241 HydrophobicContact CE-CD2 4.49Å; M149-F241 HydrophobicContact SD-CD2 3.5Å; M149-F241 WeakPolarHBondContact SD-CD2 3.21Å; M149-F241 HydrophobicContact SD-CE2 3.83Å; F161-F241 HydrophobicContact CE2-CB 3.98Å; F161-F241 HydrophobicContact CZ-CB 3.67Å; F161-F241 HydrophobicContact CZ-CG 4.47Å; I162-F241 PolarHBondContact O-N 2.83Å; D163-F241 WeakPolarHBondContact OD1-CD1 3.42Å; L164-F241 PolarHBondContact N-O 2.77Å; V171-F241 HydrophobicContact CG1-CD1 4.4Å; V171-F241 HydrophobicContact CG2-CE1 4.44Å; F241-N243 HydrophobicContact CE1-CB 4.3Å; F241-I269 WeakPolarHBondContact CA-O 3.23Å; F241-I269 HydrophobicContact CD2-CB 3.89Å; F241-I269 HydrophobicContact CD2-CG2 4.05Å; F241-I269 HydrophobicContact CE2-CB 4.48Å; F241-I269 HydrophobicContact CE2-CG2 4.15Å; F241-Y314 HydrophobicContact CE2-CD1 4.12Å; F241-Y314 AromaticContact CE2-CE1 3.87Å; F241-Y314 HydrophobicContact CE2-CE1 3.87Å; F241-Y314 HydrophobicContact CZ-CD1 4.37Å; F241-Y314 AromaticContact CZ-CE1 3.66Å; F241-Y314 HydrophobicContact CZ-CE1 3.66Å
242A93.6Very high91.4Very high0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-150.9117173.700000111.1L164 N244 I269 S270L164-A242 HydrophobicContact CB-CB 4.23Å; A242-N244 PolarHBondContact O-N 3.19Å; A242-I269 PolarHBondContact N-O 2.72Å; A242-S270 VanDerWaalsContact O-CA 3.27Å; A242-S270 WeakPolarHBondContact O-CA 3.37Å; A242-S270 WeakPolarHBondContact O-CB 3.31Å
243N90.8Very high91.4Very high31 Ų3134.8 Ų34.817%0.16619%0.192CC..  trans-79.656174.5-166.14.7000111.9G139 F241 F245 S271 Y314G139-N243 PolarHBondContact O-ND2 2.84Å; F241-N243 HydrophobicContact CE1-CB 4.3Å; N243-F245 PolarHBondContact O-N 3.37Å; N243-S271 WeakPolarHBondContact CA-OG 3.27Å; N243-S271 WeakPolarHBondContact OD1-CB 3.22Å; N243-S271 PolarHBondContact OD1-OG 3.48Å; N243-S271 VanDerWaalsContact OD1-OG 3.09Å; N243-Y314 PolarHBondContact OD1-OH 3.05Å
244N91.2Very high91.5Very high0 Ų034.3 Ų34.30%019%0.191CC..THydrogen-bonded Turntrans-7114.9-172.576.7-37.7000115.9A242 A246 F247 D252 S270 S271 K272 F274A242-N244 PolarHBondContact O-N 3.19Å; N244-A246 VanDerWaalsContact C-N 3.33Å; N244-A246 PolarHBondContact O-N 3.37Å; N244-F247 HydrophobicContact CB-CB 4.07Å; N244-F247 HydrophobicContact CB-CD2 3.45Å; N244-F247 VanDerWaalsContact CB-CD2 3.45Å; N244-F247 HydrophobicContact CB-CE2 4.01Å; N244-F247 HydrophobicContact CB-CG 3.87Å; N244-F247 PolarHBondContact O-N 3.1Å; N244-D252 PolarHBondContact ND2-OD1 3.19Å; N244-S270 VanDerWaalsContact OD1-CB 3.31Å; N244-S270 WeakPolarHBondContact OD1-CB 3.23Å; N244-S271 PolarHBondContact N-OG 3.21Å; N244-S271 PolarHBondContact OD1-N 2.86Å; N244-S271 PolarHBondContact OD1-OG 3.48Å; N244-K272 PolarHBondContact ND2-O 3.11Å; N244-K272 VanDerWaalsContact O-CD 3.31Å; N244-K272 WeakPolarHBondContact O-CD 3.47Å; N244-K272 WeakPolarHBondContact OD1-CB 3.44Å; N244-K272 PolarHBondContact OD1-N 3.28Å; N244-K272 PolarHBondContact OD1-O 3.07Å; N244-F274 HydrophobicContact CB-CZ 4.3Å; N244-F274 VanDerWaalsContact ND2-CE1 3.31Å; N244-F274 WeakPolarHBondContact ND2-CE1 3.35Å; N244-F274 WeakPolarHBondContact ND2-CZ 3.27Å
245F84.1Confident91.4Very high102 Ų10234.3 Ų34.345%0.44719%0.191SC..THydrogen-bonded Turntrans-58.1-45.6-177-179.7-101.5000111.9N243 S271 W307 F312N243-F245 PolarHBondContact O-N 3.37Å; F245-S271 PolarHBondContact N-OG 3.4Å; F245-W307 AromaticContact CD1-CH2 3.9Å; F245-W307 HydrophobicContact CD1-CH2 3.9Å; F245-W307 AromaticContact CD1-CZ2 3.67Å; F245-W307 HydrophobicContact CD1-CZ2 3.67Å; F245-W307 AromaticContact CE1-CH2 3.28Å; F245-W307 HydrophobicContact CE1-CH2 3.28Å; F245-W307 AromaticContact CE1-CZ2 3.57Å; F245-W307 HydrophobicContact CE1-CZ2 3.57Å; F245-W307 HydrophobicContact CE1-CZ3 4.2Å; F245-W307 HydrophobicContact CE2-CH2 4.34Å; F245-W307 HydrophobicContact CG-CZ2 4.33Å; F245-W307 AromaticContact CZ-CH2 3.55Å; F245-W307 HydrophobicContact CZ-CH2 3.55Å; F245-W307 HydrophobicContact CZ-CZ2 4.15Å; F245-W307 HydrophobicContact CZ-CZ3 4.48Å; F245-F312 HydrophobicContact CB-CZ 4.39Å; F245-F312 AromaticContact CD2-CE2 3.76Å; F245-F312 HydrophobicContact CD2-CE2 3.76Å; F245-F312 AromaticContact CD2-CZ 3.61Å; F245-F312 HydrophobicContact CD2-CZ 3.61Å; F245-F312 AromaticContact CE2-CE2 3.87Å; F245-F312 HydrophobicContact CE2-CE2 3.87Å; F245-F312 HydrophobicContact CE2-CZ 4.17Å; F245-F312 HydrophobicContact CG-CE2 4.3Å; F245-F312 HydrophobicContact CG-CZ 4.11Å; F245-F312 HydrophobicContact CZ-CE2 4.5Å
246A79.2Confident91.4Very high30 Ų3035.4 Ų35.425%0.24819%0.193CC..SBendtrans-91.7-3.9178.300000114V137 N244 G248V137-A246 HydrophobicContact CB-CB 3.56Å; V137-A246 HydrophobicContact CG1-CB 3.45Å; V137-A246 VanDerWaalsContact CG1-CB 3.45Å; V137-A246 HydrophobicContact CG2-CB 4.07Å; N244-A246 VanDerWaalsContact C-N 3.33Å; N244-A246 PolarHBondContact O-N 3.37Å; A246-G248 PolarHBondContact O-N 2.79Å
247F86.1Confident91.4Very high11 Ų1137.5 Ų37.55%0.04820%0.2CC..  trans-67.2132.4-179.6-69.63.7000110.9P135 F225 N244 V251 L255 K272P135-F247 HydrophobicContact CB-CD1 4.36Å; P135-F247 WeakPolarHBondContact O-CE1 3.44Å; F225-F247 HydrophobicContact CE1-CZ 4.42Å; F225-F247 AromaticContact CZ-CE2 3.84Å; F225-F247 HydrophobicContact CZ-CE2 3.84Å; F225-F247 AromaticContact CZ-CZ 3.99Å; F225-F247 HydrophobicContact CZ-CZ 3.99Å; N244-F247 HydrophobicContact CB-CB 4.07Å; N244-F247 HydrophobicContact CB-CD2 3.45Å; N244-F247 VanDerWaalsContact CB-CD2 3.45Å; N244-F247 HydrophobicContact CB-CE2 4.01Å; N244-F247 HydrophobicContact CB-CG 3.87Å; N244-F247 PolarHBondContact O-N 3.1Å; F247-V251 HydrophobicContact CB-CB 4.43Å; F247-V251 HydrophobicContact CB-CG1 4.35Å; F247-V251 HydrophobicContact CD2-CG1 3.75Å; F247-V251 HydrophobicContact CE2-CG1 4.36Å; F247-V251 HydrophobicContact CG-CG1 4.2Å; F247-L255 HydrophobicContact CD2-CD1 3.99Å; F247-L255 HydrophobicContact CE2-CD1 4.14Å; F247-K272 PolarHBondContact O-NZ 3.11Å
248G83Confident91.3Very high21 Ų2138.8 Ų38.822%0.21621%0.205CC..  trans-61155.8174.500000112.6A246 E250 V251 D252A246-G248 PolarHBondContact O-N 2.79Å; G248-E250 PolarHBondContact O-N 3.1Å; G248-E250 VanDerWaalsContact O-N 3.12Å; G248-V251 PolarHBondContact O-N 3.12Å; G248-V251 VanDerWaalsContact O-N 3.12Å; G248-D252 PolarHBondContact O-N 3.23Å; G248-D252 VanDerWaalsContact O-N 3.13Å
249P88.9Confident91.3Very high110 Ų11038 Ų3871%0.71420%0.196SC*.Hα-helixtrans-61.1-25-175.325.6-35000113.6H253P249-H253 WeakPolarHBondContact O-CB 3.46Å; P249-H253 PolarHBondContact O-N 3.08Å
250E91.2Very high91.2Very high111 Ų11139.8 Ų39.852%0.51921%0.212SC..Hα-helixtrans-69.1-45.4175.6-176.553.6-145.100112.1G248 H253 Q254G248-E250 PolarHBondContact O-N 3.1Å; G248-E250 VanDerWaalsContact O-N 3.12Å; E250-H253 WeakPolarHBondContact O-CA 3.26Å; E250-H253 WeakPolarHBondContact O-CB 3.18Å; E250-H253 PolarHBondContact O-N 2.81Å; E250-Q254 WeakPolarHBondContact O-CG 3.46Å; E250-Q254 PolarHBondContact O-N 2.81Å; E250-Q254 PolarHBondContact OE1-NE2 3.06Å
251V92.2Very high91Very high12 Ų1244 Ų447%0.07323%0.234CC..Hα-helixtrans-66.2-41.1175.3175.10000110.6P135 F225 L226 F247 G248 H253 Q254 L255P135-V251 HydrophobicContact CB-CG2 4.21Å; P135-V251 HydrophobicContact CG-CG2 3.55Å; F225-V251 HydrophobicContact CE2-CG1 4.06Å; F225-V251 HydrophobicContact CZ-CG1 4.32Å; L226-V251 HydrophobicContact CD1-CG1 4.26Å; L226-V251 HydrophobicContact CD1-CG2 3.98Å; F247-V251 HydrophobicContact CB-CB 4.43Å; F247-V251 HydrophobicContact CB-CG1 4.35Å; F247-V251 HydrophobicContact CD2-CG1 3.75Å; F247-V251 HydrophobicContact CE2-CG1 4.36Å; F247-V251 HydrophobicContact CG-CG1 4.2Å; G248-V251 PolarHBondContact O-N 3.12Å; G248-V251 VanDerWaalsContact O-N 3.12Å; V251-H253 PolarHBondContact O-N 2.67Å; V251-Q254 PolarHBondContact O-N 3.47Å; V251-L255 HydrophobicContact CG1-CD1 3.98Å; V251-L255 HydrophobicContact CG1-CG 4.25Å; V251-L255 VanDerWaalsContact O-CB 3.29Å; V251-L255 WeakPolarHBondContact O-CB 3.13Å; V251-L255 VanDerWaalsContact O-CG 3.24Å; V251-L255 WeakPolarHBondContact O-CG 3.31Å; V251-L255 PolarHBondContact O-N 2.7Å
252D93.2Very high91.1Very high11 Ų1143.9 Ų43.96%0.05923%0.233CC..Hα-helixtrans-57-32.6169.4-96.1-9.3000112.5N244 G248 K256 K272 F274N244-D252 PolarHBondContact ND2-OD1 3.19Å; G248-D252 PolarHBondContact O-N 3.23Å; G248-D252 VanDerWaalsContact O-N 3.13Å; D252-K256 VanDerWaalsContact O-CD 3.27Å; D252-K256 WeakPolarHBondContact O-CD 3.02Å; D252-K256 WeakPolarHBondContact O-CE 3.1Å; D252-K256 WeakPolarHBondContact O-CG 3.39Å; D252-K256 PolarHBondContact O-N 2.88Å; D252-K272 WeakPolarHBondContact OD2-CE 3.47Å; D252-K272 IonicContact OD2-NZ 3.85Å; D252-K272 PolarHBondContact OD2-NZ 3.11Å; D252-F274 WeakPolarHBondContact OD1-CE1 3.33Å
253H92.6Very high91.1Very high95 Ų9549 Ų4944%0.4426%0.255SS..Hα-helixtrans-75.6-48.1178.3-175.666.1000111.8P249 E250 V251 L255 K256 Q257P249-H253 WeakPolarHBondContact O-CB 3.46Å; P249-H253 PolarHBondContact O-N 3.08Å; E250-H253 WeakPolarHBondContact O-CA 3.26Å; E250-H253 WeakPolarHBondContact O-CB 3.18Å; E250-H253 PolarHBondContact O-N 2.81Å; V251-H253 PolarHBondContact O-N 2.67Å; H253-L255 VanDerWaalsContact C-N 3.33Å; H253-L255 PolarHBondContact O-N 2.7Å; H253-K256 WeakPolarHBondContact O-CB 3.31Å; H253-K256 PolarHBondContact O-N 2.88Å; H253-K256 VanDerWaalsContact O-N 3.1Å; H253-Q257 PolarHBondContact CD2-NE2 3.41Å; H253-Q257 VanDerWaalsContact CD2-NE2 3.31Å; H253-Q257 PolarHBondContact NE2-NE2 3.44Å; H253-Q257 PolarHBondContact O-N 3.29Å
254Q93.2Very high91.3Very high60 Ų6052.1 Ų52.128%0.2827%0.269SS..Hα-helixtrans-64-36.9177.9-64.8179.119.800112.1L226 E250 V251 Q257 R258L226-Q254 HydrophobicContact CD2-CB 3.96Å; E250-Q254 WeakPolarHBondContact O-CG 3.46Å; E250-Q254 PolarHBondContact O-N 2.81Å; E250-Q254 PolarHBondContact OE1-NE2 3.06Å; V251-Q254 PolarHBondContact O-N 3.47Å; Q254-Q257 WeakPolarHBondContact O-CB 3.21Å; Q254-Q257 PolarHBondContact O-N 3.39Å; Q254-R258 PolarHBondContact O-N 3.24Å; Q254-R258 VanDerWaalsContact O-N 3.08Å
255L94.7Very high91.5Very high0 Ų054 Ų540%029%0.288CS..Hα-helixtrans-60.1-44.2170.4-75.1174.9000111.6L164 F225 L226 F247 V251 H253 Q257 R258 F259 F274L164-L255 HydrophobicContact CD1-CD2 3.81Å; F225-L255 HydrophobicContact CD2-CD2 3.95Å; F225-L255 HydrophobicContact CE2-CD1 4.43Å; F225-L255 HydrophobicContact CE2-CD2 3.91Å; F225-L255 HydrophobicContact CE2-CG 4.37Å; L226-L255 HydrophobicContact CD2-CD2 4.41Å; F247-L255 HydrophobicContact CD2-CD1 3.99Å; F247-L255 HydrophobicContact CE2-CD1 4.14Å; V251-L255 HydrophobicContact CG1-CD1 3.98Å; V251-L255 HydrophobicContact CG1-CG 4.25Å; V251-L255 VanDerWaalsContact O-CB 3.29Å; V251-L255 WeakPolarHBondContact O-CB 3.13Å; V251-L255 VanDerWaalsContact O-CG 3.24Å; V251-L255 WeakPolarHBondContact O-CG 3.31Å; V251-L255 PolarHBondContact O-N 2.7Å; H253-L255 VanDerWaalsContact C-N 3.33Å; H253-L255 PolarHBondContact O-N 2.7Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 2.92Å; L255-R258 PolarHBondContact O-N 2.74Å; L255-R258 VanDerWaalsContact O-N 3.17Å; L255-F259 HydrophobicContact CB-CD2 4.34Å; L255-F259 HydrophobicContact CB-CE2 3.76Å; L255-F259 HydrophobicContact CB-CZ 3.95Å; L255-F259 HydrophobicContact CD2-CE1 4.33Å; L255-F259 HydrophobicContact CD2-CZ 3.96Å; L255-F259 HydrophobicContact CG-CZ 4.39Å; L255-F259 WeakPolarHBondContact O-CB 3.1Å; L255-F259 WeakPolarHBondContact O-CD1 3.44Å; L255-F259 WeakPolarHBondContact O-CD2 3.33Å; L255-F259 WeakPolarHBondContact O-CG 3.44Å; L255-F259 PolarHBondContact O-N 2.89Å; L255-F274 HydrophobicContact CB-CE1 4.35Å; L255-F274 HydrophobicContact CD1-CE1 4.25Å; L255-F274 HydrophobicContact CD1-CZ 4.38Å
256K94.1Very high92Very high56 Ų5649.4 Ų49.424%0.24327%0.269CS..Hα-helixtrans-62.4-37.6175.9-69.2165.4-156.4-169.20112.8D252 H253 R258 F259 A260 F274 I289D252-K256 VanDerWaalsContact O-CD 3.27Å; D252-K256 WeakPolarHBondContact O-CD 3.02Å; D252-K256 WeakPolarHBondContact O-CE 3.1Å; D252-K256 WeakPolarHBondContact O-CG 3.39Å; D252-K256 PolarHBondContact O-N 2.88Å; H253-K256 WeakPolarHBondContact O-CB 3.31Å; H253-K256 PolarHBondContact O-N 2.88Å; H253-K256 VanDerWaalsContact O-N 3.1Å; K256-R258 VanDerWaalsContact C-N 3.34Å; K256-F259 PolarHBondContact O-N 3.28Å; K256-A260 PolarHBondContact O-N 3.46Å; K256-A260 VanDerWaalsContact O-N 3.13Å; K256-F274 HydrophobicContact CD-CB 4.49Å; K256-F274 WeakPolarHBondContact CE-O 3.36Å; K256-F274 HydrophobicContact CG-CB 4.23Å; K256-F274 HydrophobicContact CG-CD1 4.11Å; K256-F274 HydrophobicContact CG-CG 4.49Å; K256-F274 PolarHBondContact NZ-O 2.84Å; K256-I289 HydrophobicContact CB-CB 4.28Å; K256-I289 HydrophobicContact CB-CG1 4.38Å; K256-I289 HydrophobicContact CB-CG2 4.44Å; K256-I289 HydrophobicContact CD-CG2 3.98Å; K256-I289 HydrophobicContact CG-CB 4.34Å; K256-I289 HydrophobicContact CG-CG1 4.46Å; K256-I289 HydrophobicContact CG-CG2 3.97Å
257Q92.4Very high92.8Very high114 Ų11450.1 Ų50.153%0.53327%0.266SS..Hα-helixtrans-61.6-42.7174-65.8178.73.500111.3H253 Q254 L255H253-Q257 PolarHBondContact CD2-NE2 3.41Å; H253-Q257 VanDerWaalsContact CD2-NE2 3.31Å; H253-Q257 PolarHBondContact NE2-NE2 3.44Å; H253-Q257 PolarHBondContact O-N 3.29Å; Q254-Q257 WeakPolarHBondContact O-CB 3.21Å; Q254-Q257 PolarHBondContact O-N 3.39Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 2.92Å
258R93Very high93.3Very high27 Ų2749.6 Ų49.610%0.10226%0.264CS..Hα-helixtrans-66-44174.9-69.5174.8175.2-108.5-25.7111.9F225 L226 S227 Q254 L255 K256 A260 N261F225-R258 PolarHBondContact O-NH1 3.29Å; L226-R258 PolarHBondContact O-NH2 3.1Å; S227-R258 VanDerWaalsContact O-CZ 3.23Å; S227-R258 PolarHBondContact O-NH1 3.19Å; S227-R258 PolarHBondContact O-NH2 3.26Å; Q254-R258 PolarHBondContact O-N 3.24Å; Q254-R258 VanDerWaalsContact O-N 3.08Å; L255-R258 PolarHBondContact O-N 2.74Å; L255-R258 VanDerWaalsContact O-N 3.17Å; K256-R258 VanDerWaalsContact C-N 3.34Å; R258-A260 PolarHBondContact O-N 3.04Å; R258-N261 PolarHBondContact O-N 3.22Å
259F95.2Very high93.8Very high1 Ų148.7 Ų48.70%0.00425%0.253CS..Hα-helixtrans-66-21.2-178.8-60.9-24.6000114.2L164 L240 L255 K256 N261 L262 I268 F274 I289L164-F259 HydrophobicContact CD1-CE1 4.11Å; L164-F259 HydrophobicContact CD1-CZ 4.16Å; L240-F259 HydrophobicContact CD1-CD1 4.21Å; L240-F259 HydrophobicContact CD1-CE1 4.01Å; L255-F259 HydrophobicContact CB-CD2 4.34Å; L255-F259 HydrophobicContact CB-CE2 3.76Å; L255-F259 HydrophobicContact CB-CZ 3.95Å; L255-F259 HydrophobicContact CD2-CE1 4.33Å; L255-F259 HydrophobicContact CD2-CZ 3.96Å; L255-F259 HydrophobicContact CG-CZ 4.39Å; L255-F259 WeakPolarHBondContact O-CB 3.1Å; L255-F259 WeakPolarHBondContact O-CD1 3.44Å; L255-F259 WeakPolarHBondContact O-CD2 3.33Å; L255-F259 WeakPolarHBondContact O-CG 3.44Å; L255-F259 PolarHBondContact O-N 2.89Å; K256-F259 PolarHBondContact O-N 3.28Å; F259-N261 PolarHBondContact O-N 3.13Å; F259-L262 HydrophobicContact CB-CD1 3.88Å; F259-L262 HydrophobicContact CD1-CD1 3.79Å; F259-L262 HydrophobicContact CG-CD1 4.12Å; F259-L262 WeakPolarHBondContact O-CB 3.36Å; F259-L262 PolarHBondContact O-N 3Å; F259-I268 HydrophobicContact CB-CD1 3.9Å; F259-I268 HydrophobicContact CD1-CD1 4.06Å; F259-I268 HydrophobicContact CD2-CD1 3.66Å; F259-I268 HydrophobicContact CE2-CD1 4.14Å; F259-I268 HydrophobicContact CE2-CG2 4.11Å; F259-I268 HydrophobicContact CG-CD1 3.61Å; F259-I268 HydrophobicContact CZ-CG2 4.06Å; F259-F274 HydrophobicContact CD2-CD2 4.46Å; F259-F274 HydrophobicContact CD2-CE2 4.47Å; F259-F274 HydrophobicContact CE2-CD1 4.34Å; F259-F274 HydrophobicContact CE2-CD2 4.05Å; F259-F274 AromaticContact CE2-CE1 3.96Å; F259-F274 HydrophobicContact CE2-CE1 3.96Å; F259-F274 AromaticContact CE2-CE2 3.63Å; F259-F274 HydrophobicContact CE2-CE2 3.63Å; F259-F274 HydrophobicContact CE2-CG 4.4Å; F259-F274 AromaticContact CE2-CZ 3.6Å; F259-F274 HydrophobicContact CE2-CZ 3.6Å; F259-F274 HydrophobicContact CZ-CE2 4.41Å; F259-F274 HydrophobicContact CZ-CZ 4.28Å; F259-I289 HydrophobicContact CB-CD1 4.39Å
260A93.7Very high94Very high40 Ų4043.4 Ų43.433%0.33122%0.219SC..THydrogen-bonded Turntrans-61.1-27.4174.400000113.4K256 R258 I289 R321K256-A260 PolarHBondContact O-N 3.46Å; K256-A260 VanDerWaalsContact O-N 3.13Å; R258-A260 PolarHBondContact O-N 3.04Å; A260-I289 HydrophobicContact CB-CD1 4.11Å; A260-R321 PolarHBondContact O-NH2 3.14Å
261N94.1Very high93.9Very high89 Ų8938.3 Ų38.348%0.47620%0.196SC..THydrogen-bonded Turntrans-87.8-8.1-177.3-59-34.2000113.6T235 R258 F259T235-N261 HydrophobicContact CG2-CB 4.15Å; R258-N261 PolarHBondContact O-N 3.22Å; F259-N261 PolarHBondContact O-N 3.13Å
262L95.9Very high93.8Very high0 Ų040.8 Ų40.80%021%0.206CC..PPolyproline II helixtrans-62.2148.3-175.8-72169.2000113I234 L240 F259 A266 I268 I319 R321I234-L262 WeakPolarHBondContact O-CD2 3.4Å; L240-L262 HydrophobicContact CD1-CD1 3.67Å; L240-L262 HydrophobicContact CD1-CD2 3.6Å; L240-L262 HydrophobicContact CD1-CG 4.28Å; F259-L262 HydrophobicContact CB-CD1 3.88Å; F259-L262 HydrophobicContact CD1-CD1 3.79Å; F259-L262 HydrophobicContact CG-CD1 4.12Å; F259-L262 WeakPolarHBondContact O-CB 3.36Å; F259-L262 PolarHBondContact O-N 3Å; L262-A266 HydrophobicContact CB-CB 4.13Å; L262-I268 HydrophobicContact CD1-CD1 3.77Å; L262-I268 HydrophobicContact CD1-CG1 3.97Å; L262-I319 HydrophobicContact CB-CD1 4.32Å; L262-I319 HydrophobicContact CB-CG1 3.96Å; L262-I319 HydrophobicContact CD1-CD1 4.31Å; L262-I319 HydrophobicContact CD1-CG1 4.35Å; L262-R321 PolarHBondContact O-NH1 3.18Å; L262-R321 PolarHBondContact O-NH2 3.12Å
263K94.7Very high93.8Very high107 Ų10741.7 Ų41.747%0.46522%0.215SC..PPolyproline II helixtrans-58.9153.1176.5-65170.3-173.3165.80111.6N236 A266N236-K263 PolarHBondContact O-NZ 3Å; N236-K263 VanDerWaalsContact OD1-CE 3.27Å; N236-K263 WeakPolarHBondContact OD1-CE 3.4Å; N236-K263 PolarHBondContact OD1-NZ 3.39Å; K263-A266 WeakPolarHBondContact O-CB 3.3Å; K263-A266 PolarHBondContact O-N 3.24Å
264E95.3Very high93.8Very high97 Ų9737.5 Ų37.545%0.45320%0.195SC..THydrogen-bonded Turntrans-60.2138.7176.2-160.368.5-179.400110.7A266 D320 R321E264-A266 PolarHBondContact O-N 2.84Å; E264-D320 WeakPolarHBondContact OE1-CA 3.43Å; E264-R321 PolarHBondContact OE1-N 3.29Å; E264-R321 VanDerWaalsContact OE2-CD 3.27Å; E264-R321 WeakPolarHBondContact OE2-CD 3.43Å; E264-R321 VanDerWaalsContact OE2-CG 3.24Å; E264-R321 WeakPolarHBondContact OE2-CG 3.47Å; E264-R321 IonicContact OE2-CZ 2.88Å; E264-R321 IonicContact OE2-NE 3.24Å; E264-R321 IonicContact OE2-NH1 2.88Å; E264-R321 PolarHBondContact OE2-NH1 3.37Å
265G94.1Very high93.7Very high39 Ų3935.2 Ų35.240%0.40219%0.186SC..THydrogen-bonded Turntrans76.1-4.7-176.100000115.6I319G265-I319 WeakPolarHBondContact CA-O 3.39Å; G265-I319 PolarHBondContact N-O 3.22Å
266A96Very high93.4Very high6 Ų639.3 Ų39.35%0.0521%0.212CC..  trans-60.1146.9174.600000111.7G238 L262 K263 E264 T318 I319G238-A266 WeakPolarHBondContact O-CA 3.31Å; L262-A266 HydrophobicContact CB-CB 4.13Å; K263-A266 WeakPolarHBondContact O-CB 3.3Å; K263-A266 PolarHBondContact O-N 3.24Å; E264-A266 PolarHBondContact O-N 2.84Å; A266-T318 WeakPolarHBondContact O-CA 3.45Å; A266-I319 HydrophobicContact CB-CG1 4.11Å; A266-I319 PolarHBondContact O-N 2.93Å
267R95.3Very high93Very high46 Ų4640.4 Ų40.417%0.17422%0.221CC..EExtended strand (participates in β ladder)trans-120128.6-168.1-68.4165.5-70.4-178.7-5.9111.3I153 A154 D159 G238 I239 L240 H317 T318I153-R267 PolarHBondContact O-NH1 3.07Å; A154-R267 PolarHBondContact O-NH1 3.34Å; D159-R267 IonicContact OD1-CZ 4Å; D159-R267 IonicContact OD1-NH2 2.66Å; D159-R267 PolarHBondContact OD1-NH2 3.03Å; D159-R267 IonicContact OD2-CZ 2.63Å; D159-R267 IonicContact OD2-NH2 3.24Å; D159-R267 PolarHBondContact OD2-NH2 3.44Å; G238-R267 PolarHBondContact O-N 3.06Å; I239-R267 CarbonylContact C-O 3.27Å; I239-R267 WeakPolarHBondContact CA-O 3.48Å; L240-R267 PolarHBondContact N-O 3.5Å; R267-H317 CarbonylContact C-O 3.43Å; R267-H317 WeakPolarHBondContact CA-O 3.33Å; R267-T318 HydrophobicContact CG-CG2 4.29Å
268I95.7Very high92.8Very high0 Ų042.6 Ų42.60%024%0.236CC..EExtended strand (participates in β ladder)trans-119.2113.9178.5-45.2160.9000109.2L240 F259 L262 F274 M293 H317 I319L240-I268 HydrophobicContact CB-CG1 4.4Å; L240-I268 HydrophobicContact CB-CG2 4.2Å; L240-I268 HydrophobicContact CD1-CG1 4.42Å; L240-I268 CarbonylContact O-C 3.59Å; L240-I268 WeakPolarHBondContact O-CA 3.37Å; F259-I268 HydrophobicContact CB-CD1 3.9Å; F259-I268 HydrophobicContact CD1-CD1 4.06Å; F259-I268 HydrophobicContact CD2-CD1 3.66Å; F259-I268 HydrophobicContact CE2-CD1 4.14Å; F259-I268 HydrophobicContact CE2-CG2 4.11Å; F259-I268 HydrophobicContact CG-CD1 3.61Å; F259-I268 HydrophobicContact CZ-CG2 4.06Å; L262-I268 HydrophobicContact CD1-CD1 3.77Å; L262-I268 HydrophobicContact CD1-CG1 3.97Å; I268-F274 HydrophobicContact CG2-CD2 4.43Å; I268-F274 HydrophobicContact CG2-CE2 3.9Å; I268-M293 HydrophobicContact CD1-CE 3.93Å; I268-H317 HydrophobicContact CB-CB 4.16Å; I268-H317 PolarHBondContact N-O 3.49Å; I268-H317 PolarHBondContact O-N 3.04Å; I268-H317 PolarHBondContact O-ND1 3.32Å; I268-I319 HydrophobicContact CD1-CD1 4.44Å
269I94.2Very high92.5Very high1 Ų143.6 Ų43.61%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-93129.5171.8-45.789.9000108.6M149 I153 I239 L240 F241 A242 Y314 Y315 V316M149-I269 HydrophobicContact CG-CD1 4.44Å; M149-I269 HydrophobicContact CG-CG1 3.87Å; M149-I269 HydrophobicContact CG-CG2 4.07Å; M149-I269 HydrophobicContact SD-CB 3.99Å; M149-I269 HydrophobicContact SD-CD1 3.9Å; M149-I269 HydrophobicContact SD-CG1 3.68Å; M149-I269 HydrophobicContact SD-CG2 3.86Å; I153-I269 HydrophobicContact CD1-CD1 3.55Å; I153-I269 HydrophobicContact CD1-CG1 3.21Å; I239-I269 HydrophobicContact CG2-CD1 3.37Å; L240-I269 VanDerWaalsContact O-CD1 3.31Å; L240-I269 WeakPolarHBondContact O-CD1 3.16Å; L240-I269 PolarHBondContact O-N 2.91Å; F241-I269 WeakPolarHBondContact CA-O 3.23Å; F241-I269 HydrophobicContact CD2-CB 3.89Å; F241-I269 HydrophobicContact CD2-CG2 4.05Å; F241-I269 HydrophobicContact CE2-CB 4.48Å; F241-I269 HydrophobicContact CE2-CG2 4.15Å; A242-I269 PolarHBondContact N-O 2.72Å; I269-Y314 HydrophobicContact CG2-CD1 4.15Å; I269-Y315 WeakPolarHBondContact CA-O 3.36Å; I269-V316 HydrophobicContact CG1-CG2 4.35Å
270S93.7Very high92.2Very high0 Ų052.2 Ų52.20%027%0.273CS..EExtended strand (participates in β ladder)trans-145.9156173.179.10000113.9A242 N244 K272 F274 Y314 Y315 H317A242-S270 VanDerWaalsContact O-CA 3.27Å; A242-S270 WeakPolarHBondContact O-CA 3.37Å; A242-S270 WeakPolarHBondContact O-CB 3.31Å; N244-S270 VanDerWaalsContact OD1-CB 3.31Å; N244-S270 WeakPolarHBondContact OD1-CB 3.23Å; S270-K272 PolarHBondContact O-N 3.45Å; S270-K272 PolarHBondContact OG-O 2.89Å; S270-F274 WeakPolarHBondContact OG-CE2 3.4Å; S270-Y314 CarbonylContact O-C 3.56Å; S270-Y314 WeakPolarHBondContact O-CA 3.47Å; S270-Y315 PolarHBondContact N-O 3.2Å; S270-Y315 PolarHBondContact O-N 3.42Å; S270-H317 PolarHBondContact OG-CE1 3.23Å
271S89.5Confident92Very high4 Ų451.2 Ų51.23%0.02826%0.263CS..SBendtrans-72.6-14176.148.30000113.8N243 N244 F245N243-S271 WeakPolarHBondContact CA-OG 3.27Å; N243-S271 WeakPolarHBondContact OD1-CB 3.22Å; N243-S271 PolarHBondContact OD1-OG 3.48Å; N243-S271 VanDerWaalsContact OD1-OG 3.09Å; N244-S271 PolarHBondContact N-OG 3.21Å; N244-S271 PolarHBondContact OD1-N 2.86Å; N244-S271 PolarHBondContact OD1-OG 3.48Å; F245-S271 PolarHBondContact N-OG 3.4Å
272K90.3Very high91.8Very high64 Ų6449.3 Ų49.328%0.27825%0.254SS..SBendtrans-146.5116.3-177167.4-159.7-174.9-164.30109.1N244 F247 D252 S270 F274N244-K272 PolarHBondContact ND2-O 3.11Å; N244-K272 VanDerWaalsContact O-CD 3.31Å; N244-K272 WeakPolarHBondContact O-CD 3.47Å; N244-K272 WeakPolarHBondContact OD1-CB 3.44Å; N244-K272 PolarHBondContact OD1-N 3.28Å; N244-K272 PolarHBondContact OD1-O 3.07Å; F247-K272 PolarHBondContact O-NZ 3.11Å; D252-K272 WeakPolarHBondContact OD2-CE 3.47Å; D252-K272 IonicContact OD2-NZ 3.85Å; D252-K272 PolarHBondContact OD2-NZ 3.11Å; S270-K272 PolarHBondContact O-N 3.45Å; S270-K272 PolarHBondContact OG-O 2.89Å; K272-F274 PolarHBondContact O-N 2.8Å
273A92.1Very high91.4Very high30 Ų3054.5 Ų54.525%0.24828%0.282CS..  trans-59.6132-173.200000113.4C275 L277 V295 Y315 H317A273-C275 VanDerWaalsContact C-N 3.33Å; A273-C275 PolarHBondContact O-N 2.88Å; A273-L277 HydrophobicContact CB-CD1 4.03Å; A273-V295 HydrophobicContact CB-CG1 4.41Å; A273-Y315 HydrophobicContact CB-CD1 3.92Å; A273-Y315 HydrophobicContact CB-CD2 4Å; A273-Y315 HydrophobicContact CB-CE1 4.35Å; A273-Y315 HydrophobicContact CB-CE2 4.45Å; A273-Y315 HydrophobicContact CB-CG 3.72Å; A273-H317 WeakPolarHBondContact CA-NE2 3.16Å
274F93.3Very high91.2Very high6 Ų661 Ų613%0.02630%0.303CS..SBendtrans-73.5-24.3-179.5-67.5-72.4000113.2N244 D252 L255 K256 F259 I268 S270 K272 H317N244-F274 HydrophobicContact CB-CZ 4.3Å; N244-F274 VanDerWaalsContact ND2-CE1 3.31Å; N244-F274 WeakPolarHBondContact ND2-CE1 3.35Å; N244-F274 WeakPolarHBondContact ND2-CZ 3.27Å; D252-F274 WeakPolarHBondContact OD1-CE1 3.33Å; L255-F274 HydrophobicContact CB-CE1 4.35Å; L255-F274 HydrophobicContact CD1-CE1 4.25Å; L255-F274 HydrophobicContact CD1-CZ 4.38Å; K256-F274 HydrophobicContact CD-CB 4.49Å; K256-F274 WeakPolarHBondContact CE-O 3.36Å; K256-F274 HydrophobicContact CG-CB 4.23Å; K256-F274 HydrophobicContact CG-CD1 4.11Å; K256-F274 HydrophobicContact CG-CG 4.49Å; K256-F274 PolarHBondContact NZ-O 2.84Å; F259-F274 HydrophobicContact CD2-CD2 4.46Å; F259-F274 HydrophobicContact CD2-CE2 4.47Å; F259-F274 HydrophobicContact CE2-CD1 4.34Å; F259-F274 HydrophobicContact CE2-CD2 4.05Å; F259-F274 AromaticContact CE2-CE1 3.96Å; F259-F274 HydrophobicContact CE2-CE1 3.96Å; F259-F274 AromaticContact CE2-CE2 3.63Å; F259-F274 HydrophobicContact CE2-CE2 3.63Å; F259-F274 HydrophobicContact CE2-CG 4.4Å; F259-F274 AromaticContact CE2-CZ 3.6Å; F259-F274 HydrophobicContact CE2-CZ 3.6Å; F259-F274 HydrophobicContact CZ-CE2 4.41Å; F259-F274 HydrophobicContact CZ-CZ 4.28Å; I268-F274 HydrophobicContact CG2-CD2 4.43Å; I268-F274 HydrophobicContact CG2-CE2 3.9Å; S270-F274 WeakPolarHBondContact OG-CE2 3.4Å; K272-F274 PolarHBondContact O-N 2.8Å; F274-H317 AromaticContact CD2-CE1 3.72Å; F274-H317 AromaticContact CD2-NE2 3.74Å; F274-H317 PolarHBondContact N-NE2 3.2Å
275C91Very high90.9Very high12 Ų1257.6 Ų57.68%0.08129%0.288CS..SBendtrans-140.8162169.171.20000111.9A273 I289 G290 V295A273-C275 VanDerWaalsContact C-N 3.33Å; A273-C275 PolarHBondContact O-N 2.88Å; C275-I289 HydrophobicContact CB-CG2 4.14Å; C275-G290 VanDerWaalsContact SG-CA 3.52Å; C275-V295 WeakPolarHBondContact SG-CG2 3.42Å
276P88.3Confident90.6Very high86 Ų8658.1 Ų58.156%0.55828%0.282SS*.  trans-63.8136.5-178.5-22.433.5000113.5N278 F279P276-N278 PolarHBondContact O-N 3.38Å; P276-F279 VanDerWaalsContact O-CB 3.3Å; P276-F279 WeakPolarHBondContact O-CB 3.31Å; P276-F279 PolarHBondContact O-N 3.48Å
277L86.3Confident90.2Very high80 Ų8061.8 Ų61.842%0.41932%0.32SS..THydrogen-bonded Turntrans-57.5-25.9-179.8-74.564.2000114A273 V295 C297 Y315A273-L277 HydrophobicContact CB-CD1 4.03Å; L277-V295 HydrophobicContact CD1-CG1 4.17Å; L277-V295 HydrophobicContact CG-CG1 4.12Å; L277-C297 HydrophobicContact CD2-CB 4.07Å; L277-Y315 HydrophobicContact CD1-CD1 3.86Å; L277-Y315 HydrophobicContact CD1-CE1 3.84Å; L277-Y315 HydrophobicContact CD2-CD1 4.34Å; L277-Y315 HydrophobicContact CD2-CE1 4.19Å; L277-Y315 HydrophobicContact CG-CD1 4.44Å
278N86.7Confident90Very high159 Ų15963.6 Ų63.685%0.8533%0.333SS*.THydrogen-bonded Turntrans-105.439.4175.1-67.5-80.1000111.4P276P276-N278 PolarHBondContact O-N 3.38Å
279F88Confident89.9Confident48 Ų4864.5 Ų64.521%0.21134%0.338CS..  trans-59.1142.5177.3-171.2-95.3000110.8P276 I281 N285 D288 G290P276-F279 VanDerWaalsContact O-CB 3.3Å; P276-F279 WeakPolarHBondContact O-CB 3.31Å; P276-F279 PolarHBondContact O-N 3.48Å; F279-I281 HydrophobicContact CD1-CG1 4.31Å; F279-I281 HydrophobicContact CE1-CG1 3.85Å; F279-N285 HydrophobicContact CE2-CB 4.35Å; F279-N285 WeakPolarHBondContact CE2-ND2 3.39Å; F279-N285 HydrophobicContact CZ-CB 4.02Å; F279-N285 WeakPolarHBondContact CZ-ND2 3.43Å; F279-D288 HydrophobicContact CE2-CB 3.83Å; F279-D288 HydrophobicContact CZ-CB 3.76Å; F279-G290 VanDerWaalsContact CD1-C 3.43Å; F279-G290 WeakPolarHBondContact CD1-O 3.49Å; F279-G290 VanDerWaalsContact CE1-O 3.26Å; F279-G290 WeakPolarHBondContact CE1-O 3.47Å
280R88.3Confident89.8Confident182 Ų18264.5 Ų64.569%0.68734%0.338SS*.  trans-135.8121.8176.2-177.4-178.2179.9-155.4-1.8108.7N285R280-N285 PolarHBondContact O-ND2 3.27Å; R280-N285 PolarHBondContact O-OD1 3.07Å
281I89.4Confident89.7Confident20 Ų2064.8 Ų64.810%0.10334%0.34CS..  trans-65.9132.7174.9-54.1167.3000109.5F279 L286 L323 L324 Y327F279-I281 HydrophobicContact CD1-CG1 4.31Å; F279-I281 HydrophobicContact CE1-CG1 3.85Å; I281-L286 HydrophobicContact CG2-CD2 3.7Å; I281-L323 VanDerWaalsContact CD1-C 3.5Å; I281-L323 HydrophobicContact CD1-CB 3.83Å; I281-L323 VanDerWaalsContact CD1-O 3.28Å; I281-L323 WeakPolarHBondContact CD1-O 3.42Å; I281-L324 HydrophobicContact CG2-CD1 4.48Å; I281-Y327 HydrophobicContact CB-CD2 3.77Å; I281-Y327 HydrophobicContact CB-CE2 4.3Å; I281-Y327 HydrophobicContact CB-CG 4.11Å; I281-Y327 HydrophobicContact CG2-CD1 3.81Å; I281-Y327 HydrophobicContact CG2-CD2 3.49Å; I281-Y327 VanDerWaalsContact CG2-CD2 3.49Å; I281-Y327 HydrophobicContact CG2-CE1 4.21Å; I281-Y327 HydrophobicContact CG2-CE2 3.92Å; I281-Y327 HydrophobicContact CG2-CG 3.43Å; I281-Y327 VanDerWaalsContact CG2-CG 3.43Å; I281-Y327 WeakPolarHBondContact O-CE2 3.29Å
282T89.4Confident89.9Confident49 Ų4965.4 Ų65.430%0.30134%0.343SS..  trans-147.9164.7174.370.50000108R284 N285 L286 Y327T282-R284 PolarHBondContact O-N 3.44Å; T282-N285 WeakPolarHBondContact CA-OD1 3.43Å; T282-N285 WeakPolarHBondContact CB-OD1 3.43Å; T282-N285 PolarHBondContact N-OD1 2.95Å; T282-N285 PolarHBondContact O-N 2.89Å; T282-N285 PolarHBondContact O-OD1 3.32Å; T282-N285 PolarHBondContact OG1-OD1 2.79Å; T282-L286 PolarHBondContact O-N 3.35Å; T282-Y327 WeakPolarHBondContact CA-OH 3.22Å
283D88.4Confident90.1Very high109 Ų10962.6 Ų62.658%0.58333%0.331SS*.THydrogen-bonded Turntrans-61-17.1-176.5-42.6-59.6000113.9Y327D283-Y327 PolarHBondContact N-OH 2.81Å; D283-Y327 VanDerWaalsContact N-OH 3.15Å; D283-Y327 PolarHBondContact OD1-OH 3.35Å; D283-Y327 PolarHBondContact OD2-OH 3.22Å
284R89.6Confident90.2Very high242 Ų24268 Ų6891%0.91335%0.345SS*.THydrogen-bonded Turntrans-87.1-16.5179.7-63.9-175.3179.6-165.3-2.9114.8T282T282-R284 PolarHBondContact O-N 3.44Å
285N90.2Very high90.1Very high26 Ų2668.9 Ų68.914%0.13935%0.351CS..SBendtrans-131.331.6-175.763.5-20.6000112F279 R280 T282 G287 D288F279-N285 HydrophobicContact CE2-CB 4.35Å; F279-N285 WeakPolarHBondContact CE2-ND2 3.39Å; F279-N285 HydrophobicContact CZ-CB 4.02Å; F279-N285 WeakPolarHBondContact CZ-ND2 3.43Å; R280-N285 PolarHBondContact O-ND2 3.27Å; R280-N285 PolarHBondContact O-OD1 3.07Å; T282-N285 WeakPolarHBondContact CA-OD1 3.43Å; T282-N285 WeakPolarHBondContact CB-OD1 3.43Å; T282-N285 PolarHBondContact N-OD1 2.95Å; T282-N285 PolarHBondContact O-N 2.89Å; T282-N285 PolarHBondContact O-OD1 3.32Å; T282-N285 PolarHBondContact OG1-OD1 2.79Å; N285-G287 VanDerWaalsContact C-N 3.31Å; N285-D288 HydrophobicContact CB-CB 4.14Å; N285-D288 WeakPolarHBondContact CB-OD2 3.47Å; N285-D288 PolarHBondContact O-N 3.19Å
286L87.5Confident90.1Very high51 Ų5171.3 Ų71.327%0.26737%0.368SS..THydrogen-bonded Turntrans-64.2-36.6172.2-70.5169.6000112.1I281 T282 S291 L324 Y327 F328I281-L286 HydrophobicContact CG2-CD2 3.7Å; T282-L286 PolarHBondContact O-N 3.35Å; L286-S291 WeakPolarHBondContact O-CB 3.43Å; L286-S291 PolarHBondContact O-OG 3.1Å; L286-L324 HydrophobicContact CD2-CD1 3.76Å; L286-Y327 HydrophobicContact CD2-CD1 3.73Å; L286-Y327 HydrophobicContact CD2-CE1 3.77Å; L286-F328 HydrophobicContact CD1-CZ 4.35Å; L286-F328 HydrophobicContact CD2-CZ 4.09Å
287G87.3Confident90.1Very high82 Ų8270 Ų7085%0.84536%0.36SS*.THydrogen-bonded Turntrans-83.8-1.5176.300000115.4N285N285-G287 VanDerWaalsContact C-N 3.31Å
288D91.3Very high90Very high85 Ų8566.6 Ų66.646%0.45534%0.342SS..SBendtrans-74.8138.1172.6-78.64.7000109.3F279 N285 G290 S291F279-D288 HydrophobicContact CE2-CB 3.83Å; F279-D288 HydrophobicContact CZ-CB 3.76Å; N285-D288 HydrophobicContact CB-CB 4.14Å; N285-D288 WeakPolarHBondContact CB-OD2 3.47Å; N285-D288 PolarHBondContact O-N 3.19Å; D288-G290 PolarHBondContact O-N 3.41Å; D288-S291 WeakPolarHBondContact O-CB 3.36Å; D288-S291 PolarHBondContact O-N 2.9Å; D288-S291 PolarHBondContact O-OG 2.82Å
289I93Very high89.7Confident18 Ų1865 Ų659%0.09233%0.334CS..G310 helixtrans-50.8-29.9178.4-166.360.6000113.9K256 F259 A260 C275 S291 I292 M293K256-I289 HydrophobicContact CB-CB 4.28Å; K256-I289 HydrophobicContact CB-CG1 4.38Å; K256-I289 HydrophobicContact CB-CG2 4.44Å; K256-I289 HydrophobicContact CD-CG2 3.98Å; K256-I289 HydrophobicContact CG-CB 4.34Å; K256-I289 HydrophobicContact CG-CG1 4.46Å; K256-I289 HydrophobicContact CG-CG2 3.97Å; F259-I289 HydrophobicContact CB-CD1 4.39Å; A260-I289 HydrophobicContact CB-CD1 4.11Å; C275-I289 HydrophobicContact CB-CG2 4.14Å; I289-S291 PolarHBondContact O-N 3.09Å; I289-S291 VanDerWaalsContact O-N 3.15Å; I289-I292 HydrophobicContact CD1-CD1 4.11Å; I289-I292 HydrophobicContact CD1-CG1 4.25Å; I289-I292 WeakPolarHBondContact O-CG1 3.25Å; I289-I292 PolarHBondContact O-N 3.37Å; I289-M293 HydrophobicContact CD1-CE 4.26Å; I289-M293 HydrophobicContact CG1-CE 3.66Å; I289-M293 HydrophobicContact CG1-SD 4.1Å; I289-M293 HydrophobicContact CG2-SD 4.47Å; I289-M293 WeakPolarHBondContact O-CG 3.35Å
290G91.5Very high89.1Confident1 Ų166.3 Ų66.31%0.0135%0.347CS..G310 helixtrans-66.3-8.7177.600000115C275 F279 D288 I292C275-G290 VanDerWaalsContact SG-CA 3.52Å; F279-G290 VanDerWaalsContact CD1-C 3.43Å; F279-G290 WeakPolarHBondContact CD1-O 3.49Å; F279-G290 VanDerWaalsContact CE1-O 3.26Å; F279-G290 WeakPolarHBondContact CE1-O 3.47Å; D288-G290 PolarHBondContact O-N 3.41Å; G290-I292 VanDerWaalsContact C-N 3.25Å; G290-I292 PolarHBondContact O-N 3.48Å
291S92.6Very high88.1Confident6 Ų658.6 Ų58.64%0.04232%0.319CS..G310 helixtrans-71.6-20.9173.570.40000113.2L286 D288 I289L286-S291 WeakPolarHBondContact O-CB 3.43Å; L286-S291 PolarHBondContact O-OG 3.1Å; D288-S291 WeakPolarHBondContact O-CB 3.36Å; D288-S291 PolarHBondContact O-N 2.9Å; D288-S291 PolarHBondContact O-OG 2.82Å; I289-S291 PolarHBondContact O-N 3.09Å; I289-S291 VanDerWaalsContact O-N 3.15Å
292I93.8Very high86.8Confident18 Ų1863.8 Ų63.89%0.09234%0.343CS..G310 helixtrans-122.519.4-176.863.9160.9000113.7I289 G290 I319 D320 R321 L324I289-I292 HydrophobicContact CD1-CD1 4.11Å; I289-I292 HydrophobicContact CD1-CG1 4.25Å; I289-I292 WeakPolarHBondContact O-CG1 3.25Å; I289-I292 PolarHBondContact O-N 3.37Å; G290-I292 VanDerWaalsContact C-N 3.25Å; G290-I292 PolarHBondContact O-N 3.48Å; I292-I319 CarbonylContact O-C 3.57Å; I292-I319 WeakPolarHBondContact O-CA 3.47Å; I292-D320 CarbonylContact C-O 3.48Å; I292-D320 VanDerWaalsContact C-O 3.27Å; I292-D320 WeakPolarHBondContact CA-O 3.19Å; I292-D320 CarbonylContact O-C 3.59Å; I292-D320 PolarHBondContact O-N 2.87Å; I292-R321 HydrophobicContact CB-CG 4.02Å; I292-R321 HydrophobicContact CG2-CG 3.96Å; I292-L324 HydrophobicContact CG2-CD2 3.95Å
293M94.6Very high85.4Confident5 Ų564.1 Ų64.13%0.02534%0.343CS..EExtended strand (participates in β ladder)trans-147.1144.2175.859.2175.34600114I268 I289 H317 T318 I319I268-M293 HydrophobicContact CD1-CE 3.93Å; I289-M293 HydrophobicContact CD1-CE 4.26Å; I289-M293 HydrophobicContact CG1-CE 3.66Å; I289-M293 HydrophobicContact CG1-SD 4.1Å; I289-M293 HydrophobicContact CG2-SD 4.47Å; I289-M293 WeakPolarHBondContact O-CG 3.35Å; M293-H317 HydrophobicContact CE-CB 4.26Å; M293-H317 HydrophobicContact SD-CB 4Å; M293-T318 CarbonylContact C-O 3.46Å; M293-T318 WeakPolarHBondContact CA-O 3.42Å; M293-T318 WeakPolarHBondContact CB-O 3.05Å; M293-I319 HydrophobicContact CB-CD1 4.45Å; M293-I319 HydrophobicContact CE-CD1 3.73Å
294R93Very high84Confident142 Ų14259 Ų5954%0.53632%0.316SS..EExtended strand (participates in β ladder)trans-87.4148.5163.4-59.7-176.1-168.7172.812.6109.2H317 T318 D320 L323R294-H317 CarbonylContact O-C 3.6Å; R294-H317 VanDerWaalsContact O-CA 3.26Å; R294-H317 WeakPolarHBondContact O-CA 3.34Å; R294-T318 PolarHBondContact N-O 2.82Å; R294-T318 PolarHBondContact O-N 3.16Å; R294-D320 HydrophobicContact CG-CB 4.27Å; R294-D320 IonicContact CZ-OD2 3.7Å; R294-D320 IonicContact NE-OD2 2.79Å; R294-D320 PolarHBondContact NE-OD2 3.23Å; R294-D320 IonicContact NH2-OD1 3.88Å; R294-D320 IonicContact NH2-OD2 2.77Å; R294-D320 PolarHBondContact NH2-OD2 3.37Å; R294-L323 HydrophobicContact CG-CD1 4.04Å
295V92.9Very high82.6Confident26 Ų2647.7 Ų47.716%0.15827%0.274CS..EExtended strand (participates in β ladder)trans-128.4124.4175.3-170.80000110.3A273 C275 L277 V316 H317A273-V295 HydrophobicContact CB-CG1 4.41Å; C275-V295 WeakPolarHBondContact SG-CG2 3.42Å; L277-V295 HydrophobicContact CD1-CG1 4.17Å; L277-V295 HydrophobicContact CG-CG1 4.12Å; V295-V316 WeakPolarHBondContact CA-O 3.47Å; V295-H317 VanDerWaalsContact CG2-CD2 3.46Å; V295-H317 WeakPolarHBondContact CG2-CD2 3.32Å
296S90.3Very high81.3Confident62 Ų6250.5 Ų50.543%0.43430%0.295SS..EExtended strand (participates in β ladder)trans-113.7158.8170.154.80000111.3Y315 V316S296-Y315 CarbonylContact O-C 3.54Å; S296-Y315 WeakPolarHBondContact O-CA 3.4Å; S296-V316 PolarHBondContact N-O 3.39Å; S296-V316 PolarHBondContact O-N 2.76Å; S296-V316 PolarHBondContact OG-O 2.78Å
297C88.1Confident80.1Confident58 Ų5854.1 Ų54.139%0.39231%0.305SS..EExtended strand (participates in β ladder)trans-105.2133.1175.4-161.50000109.3L277 S313 Y315L277-C297 HydrophobicContact CD2-CB 4.07Å; C297-S313 VanDerWaalsContact SG-CB 3.53Å; C297-Y315 HydrophobicContact CB-CD1 4.38Å; C297-Y315 HydrophobicContact CB-CE1 4.46Å
298L85Confident78.8Confident9 Ų951.3 Ų51.35%0.04727%0.272CS..PPolyproline II helixtrans-73.2152.2170.1-64.8-174.5000110.6M149 T152 S313 Y314 V316M149-L298 HydrophobicContact CB-CD1 4.5Å; T152-L298 HydrophobicContact CG2-CD2 3.55Å; L298-S313 PolarHBondContact O-OG 3.35Å; L298-Y314 PolarHBondContact N-O 3.22Å; L298-V316 HydrophobicContact CD1-CG2 4.18Å; L298-V316 HydrophobicContact CD2-CG2 3.74Å; L298-V316 HydrophobicContact CG-CG2 3.93Å
299N80.2Confident77.4Confident126 Ų12653.8 Ų53.867%0.67429%0.285SS*.PPolyproline II helixtrans-63.9121.2178.2-70-46000109.1Q148 I301Q148-N299 PolarHBondContact NE2-O 2.88Å; Q148-N299 PolarHBondContact OE1-O 3.46Å; N299-I301 PolarHBondContact O-N 2.92Å
300P73.9Confident76.1Confident76 Ų7659.8 Ų59.849%0.49431%0.31SS..PPolyproline II helixtrans-61.9128.6-172.123-33000111.6P311 F312P300-P311 HydrophobicContact CB-CB 4.01Å; P300-F312 WeakPolarHBondContact CA-O 3.33Å
301I67.5Low75Confident20 Ų2063.6 Ų63.610%0.10334%0.335CS..BIsolated β-bridgetrans-93.8141.7176.4-78.7165.5000109.3E144 L145 Q148 N299 A304 F312E144-I301 HydrophobicContact CG-CD1 4.27Å; L145-I301 HydrophobicContact CB-CD1 4.4Å; L145-I301 HydrophobicContact CD1-CD1 4.41Å; Q148-I301 HydrophobicContact CB-CD1 3.69Å; Q148-I301 HydrophobicContact CG-CD1 4.1Å; N299-I301 PolarHBondContact O-N 2.92Å; I301-A304 HydrophobicContact CB-CB 3.97Å; I301-A304 HydrophobicContact CG2-CB 3.91Å; I301-F312 PolarHBondContact N-O 2.85Å; I301-F312 PolarHBondContact O-N 2.83Å
302Q62Low73.9Confident128 Ų12864.6 Ų64.660%0.59834%0.339SS*.THydrogen-bonded Turntrans-77.9135.3165.2-68.4177.6-8.300108.5A304 P311Q302-A304 VanDerWaalsContact C-N 3.32Å; Q302-P311 HydrophobicContact CG-CG 4.35Å
303D61.8Low73.3Confident56 Ų5665.1 Ų65.130%0.29934%0.344SS..THydrogen-bonded Turntrans6234.5-173.8-43.3-0.5000113.3S142 V305 K944S142-D303 VanDerWaalsContact CB-O 3.23Å; S142-D303 WeakPolarHBondContact CB-O 3.32Å; S142-D303 PolarHBondContact OG-O 3.21Å; D303-V305 VanDerWaalsContact C-N 3.26Å; D303-V305 PolarHBondContact O-N 3.27Å; D303-K944 WeakPolarHBondContact OD2-CE 3.34Å; D303-K944 IonicContact OD2-NZ 2.77Å; D303-K944 PolarHBondContact OD2-NZ 3.3Å
304A58.2Low73Confident2 Ų265 Ų652%0.01734%0.343CS..SBendtrans-67.2-24.4178.700000113.9S142 L145 I301 Q302 F312S142-A304 PolarHBondContact N-O 3.39Å; S142-A304 VanDerWaalsContact N-O 3.11Å; S142-A304 WeakPolarHBondContact OG-CA 3.43Å; S142-A304 PolarHBondContact OG-O 3.18Å; L145-A304 HydrophobicContact CD1-CB 4.5Å; I301-A304 HydrophobicContact CB-CB 3.97Å; I301-A304 HydrophobicContact CG2-CB 3.91Å; Q302-A304 VanDerWaalsContact C-N 3.32Å; A304-F312 HydrophobicContact CB-CB 4Å
305V60.4Low73Confident5 Ų560.9 Ų60.93%0.0333%0.328CS..BIsolated β-bridgetrans-143.2147.1177-66.20000109.5E140 D303 W307 T308 F312 Y314E140-V305 WeakPolarHBondContact O-CA 3.36Å; D303-V305 VanDerWaalsContact C-N 3.26Å; D303-V305 PolarHBondContact O-N 3.27Å; V305-W307 VanDerWaalsContact C-N 3.29Å; V305-W307 HydrophobicContact CG2-CD2 4.39Å; V305-W307 HydrophobicContact CG2-CZ2 4.01Å; V305-W307 PolarHBondContact O-N 3.27Å; V305-T308 HydrophobicContact CG2-CG2 3.51Å; V305-F312 HydrophobicContact CG2-CB 4.49Å; V305-F312 HydrophobicContact CG2-CD2 4.16Å; V305-F312 HydrophobicContact CG2-CG 4.35Å; V305-Y314 HydrophobicContact CG1-CE2 4.38Å
306S61.6Low73Confident84 Ų8460.1 Ų60.159%0.58732%0.323SS*.THydrogen-bonded Turntrans-68.2-18.3-167.457.60000116.2E140E140-S306 PolarHBondContact O-N 2.82Å
307W62.2Low73.2Confident128 Ų12857.1 Ų57.149%0.48530%0.302SS..THydrogen-bonded Turntrans-1022.2-169.958.2-93.7000115.2F245 V305 F312F245-W307 AromaticContact CD1-CH2 3.9Å; F245-W307 HydrophobicContact CD1-CH2 3.9Å; F245-W307 AromaticContact CD1-CZ2 3.67Å; F245-W307 HydrophobicContact CD1-CZ2 3.67Å; F245-W307 AromaticContact CE1-CH2 3.28Å; F245-W307 HydrophobicContact CE1-CH2 3.28Å; F245-W307 AromaticContact CE1-CZ2 3.57Å; F245-W307 HydrophobicContact CE1-CZ2 3.57Å; F245-W307 HydrophobicContact CE1-CZ3 4.2Å; F245-W307 HydrophobicContact CE2-CH2 4.34Å; F245-W307 HydrophobicContact CG-CZ2 4.33Å; F245-W307 AromaticContact CZ-CH2 3.55Å; F245-W307 HydrophobicContact CZ-CH2 3.55Å; F245-W307 HydrophobicContact CZ-CZ2 4.15Å; F245-W307 HydrophobicContact CZ-CZ3 4.48Å; V305-W307 VanDerWaalsContact C-N 3.29Å; V305-W307 HydrophobicContact CG2-CD2 4.39Å; V305-W307 HydrophobicContact CG2-CZ2 4.01Å; V305-W307 PolarHBondContact O-N 3.27Å; W307-F312 HydrophobicContact CH2-CE2 4.12Å; W307-F312 HydrophobicContact CZ2-CD2 4.47Å; W307-F312 AromaticContact CZ2-CE2 3.99Å; W307-F312 HydrophobicContact CZ2-CE2 3.99Å
308T61.9Low73.6Confident22 Ų2256.7 Ų56.714%0.13530%0.298CS..  trans-151.9124.4178.2166.60000114.1V305 K310 F312V305-T308 HydrophobicContact CG2-CG2 3.51Å; T308-K310 PolarHBondContact O-N 3.47Å; T308-K310 WeakPolarHBondContact OG1-CB 3.28Å; T308-K310 PolarHBondContact OG1-N 3.28Å; T308-K310 VanDerWaalsContact OG1-N 3.08Å; T308-F312 HydrophobicContact CG2-CD2 4.49Å
309D60.1Low74.1Confident137 Ų13756.4 Ų56.473%0.73330%0.296SS*.SBendtrans-68.2-13.5172.3-48.4-51.9000113.5
310K65.6Low74.8Confident145 Ų14551.1 Ų51.163%0.6327%0.268SS*.SBendtrans-69.9132.2178.7-61.7163.3-175.3153.60109.6T308 F312T308-K310 PolarHBondContact O-N 3.47Å; T308-K310 WeakPolarHBondContact OG1-CB 3.28Å; T308-K310 PolarHBondContact OG1-N 3.28Å; T308-K310 VanDerWaalsContact OG1-N 3.08Å; K310-F312 PolarHBondContact O-N 2.94Å
311P68.6Low75.8Confident81 Ų8151 Ų5153%0.52626%0.258SS..  trans-54.4125.6176.2-24.532.6000111.4P300 Q302P300-P311 HydrophobicContact CB-CB 4.01Å; Q302-P311 HydrophobicContact CG-CG 4.35Å
312F69.6Low77Confident27 Ų2751.6 Ų51.612%0.11826%0.264CS..BIsolated β-bridgetrans-110.5141.9-174.3-164.1-78.5000109.8F245 P300 I301 A304 V305 W307 T308 K310 Y314F245-F312 HydrophobicContact CB-CZ 4.39Å; F245-F312 AromaticContact CD2-CE2 3.76Å; F245-F312 HydrophobicContact CD2-CE2 3.76Å; F245-F312 AromaticContact CD2-CZ 3.61Å; F245-F312 HydrophobicContact CD2-CZ 3.61Å; F245-F312 AromaticContact CE2-CE2 3.87Å; F245-F312 HydrophobicContact CE2-CE2 3.87Å; F245-F312 HydrophobicContact CE2-CZ 4.17Å; F245-F312 HydrophobicContact CG-CE2 4.3Å; F245-F312 HydrophobicContact CG-CZ 4.11Å; F245-F312 HydrophobicContact CZ-CE2 4.5Å; P300-F312 WeakPolarHBondContact CA-O 3.33Å; I301-F312 PolarHBondContact N-O 2.85Å; I301-F312 PolarHBondContact O-N 2.83Å; A304-F312 HydrophobicContact CB-CB 4Å; V305-F312 HydrophobicContact CG2-CB 4.49Å; V305-F312 HydrophobicContact CG2-CD2 4.16Å; V305-F312 HydrophobicContact CG2-CG 4.35Å; W307-F312 HydrophobicContact CH2-CE2 4.12Å; W307-F312 HydrophobicContact CZ2-CD2 4.47Å; W307-F312 AromaticContact CZ2-CE2 3.99Å; W307-F312 HydrophobicContact CZ2-CE2 3.99Å; T308-F312 HydrophobicContact CG2-CD2 4.49Å; K310-F312 PolarHBondContact O-N 2.94Å; F312-Y314 AromaticContact CD1-CD2 3.68Å; F312-Y314 HydrophobicContact CD1-CD2 3.68Å; F312-Y314 AromaticContact CD1-CE2 3.47Å; F312-Y314 HydrophobicContact CD1-CE2 3.47Å; F312-Y314 VanDerWaalsContact CD1-CE2 3.47Å; F312-Y314 AromaticContact CE1-CD2 3.82Å; F312-Y314 HydrophobicContact CE1-CD2 3.82Å; F312-Y314 AromaticContact CE1-CE2 3.48Å; F312-Y314 HydrophobicContact CE1-CE2 3.48Å; F312-Y314 VanDerWaalsContact CE1-CE2 3.48Å
313S81.5Confident78.3Confident28 Ų2847.4 Ų47.420%0.19625%0.245CC..  trans-117131.6-178.8-87.90000111C297 L298 Y315C297-S313 VanDerWaalsContact SG-CB 3.53Å; L298-S313 PolarHBondContact O-OG 3.35Å; S313-Y315 WeakPolarHBondContact O-CE2 3.42Å
314Y88.9Confident79.8Confident2 Ų246.6 Ų46.61%0.00824%0.24CC..  trans-97158.1168.6-82.6-112.6000110.4L145 F241 N243 I269 S270 L298 V305 F312L145-Y314 HydrophobicContact CD1-CD2 3.62Å; L145-Y314 HydrophobicContact CD1-CE2 4.06Å; L145-Y314 HydrophobicContact CD1-CG 4.12Å; L145-Y314 HydrophobicContact CD2-CD2 3.72Å; L145-Y314 HydrophobicContact CD2-CE1 4.18Å; L145-Y314 HydrophobicContact CD2-CE2 3.25Å; L145-Y314 HydrophobicContact CD2-CG 4.38Å; L145-Y314 HydrophobicContact CG-CD2 4.27Å; L145-Y314 HydrophobicContact CG-CE2 4.26Å; F241-Y314 HydrophobicContact CE2-CD1 4.12Å; F241-Y314 AromaticContact CE2-CE1 3.87Å; F241-Y314 HydrophobicContact CE2-CE1 3.87Å; F241-Y314 HydrophobicContact CZ-CD1 4.37Å; F241-Y314 AromaticContact CZ-CE1 3.66Å; F241-Y314 HydrophobicContact CZ-CE1 3.66Å; N243-Y314 PolarHBondContact OD1-OH 3.05Å; I269-Y314 HydrophobicContact CG2-CD1 4.15Å; S270-Y314 CarbonylContact O-C 3.56Å; S270-Y314 WeakPolarHBondContact O-CA 3.47Å; L298-Y314 PolarHBondContact N-O 3.22Å; V305-Y314 HydrophobicContact CG1-CE2 4.38Å; F312-Y314 AromaticContact CD1-CD2 3.68Å; F312-Y314 HydrophobicContact CD1-CD2 3.68Å; F312-Y314 AromaticContact CD1-CE2 3.47Å; F312-Y314 HydrophobicContact CD1-CE2 3.47Å; F312-Y314 VanDerWaalsContact CD1-CE2 3.47Å; F312-Y314 AromaticContact CE1-CD2 3.82Å; F312-Y314 HydrophobicContact CE1-CD2 3.82Å; F312-Y314 AromaticContact CE1-CE2 3.48Å; F312-Y314 HydrophobicContact CE1-CE2 3.48Å; F312-Y314 VanDerWaalsContact CE1-CE2 3.48Å
315Y92.2Very high81.3Confident57 Ų5752.9 Ų52.922%0.22427%0.27CS..EExtended strand (participates in β ladder)trans-121.2126.7-173.9-55.5-85.5000109.8I269 S270 A273 L277 S296 C297 S313 H317I269-Y315 WeakPolarHBondContact CA-O 3.36Å; S270-Y315 PolarHBondContact N-O 3.2Å; S270-Y315 PolarHBondContact O-N 3.42Å; A273-Y315 HydrophobicContact CB-CD1 3.92Å; A273-Y315 HydrophobicContact CB-CD2 4Å; A273-Y315 HydrophobicContact CB-CE1 4.35Å; A273-Y315 HydrophobicContact CB-CE2 4.45Å; A273-Y315 HydrophobicContact CB-CG 3.72Å; L277-Y315 HydrophobicContact CD1-CD1 3.86Å; L277-Y315 HydrophobicContact CD1-CE1 3.84Å; L277-Y315 HydrophobicContact CD2-CD1 4.34Å; L277-Y315 HydrophobicContact CD2-CE1 4.19Å; L277-Y315 HydrophobicContact CG-CD1 4.44Å; S296-Y315 CarbonylContact O-C 3.54Å; S296-Y315 WeakPolarHBondContact O-CA 3.4Å; C297-Y315 HydrophobicContact CB-CD1 4.38Å; C297-Y315 HydrophobicContact CB-CE1 4.46Å; S313-Y315 WeakPolarHBondContact O-CE2 3.42Å; Y315-H317 PolarHBondContact O-ND1 3.04Å
316V93.2Very high82.7Confident9 Ų957.2 Ų57.26%0.05529%0.289CS..EExtended strand (participates in β ladder)trans-99.3119.7172.9-178.40000107.9I153 I269 V295 S296 L298I153-V316 HydrophobicContact CD1-CG1 4.22Å; I153-V316 HydrophobicContact CD1-CG2 3.92Å; I153-V316 HydrophobicContact CG1-CG1 4.43Å; I153-V316 HydrophobicContact CG1-CG2 4.28Å; I269-V316 HydrophobicContact CG1-CG2 4.35Å; V295-V316 WeakPolarHBondContact CA-O 3.47Å; S296-V316 PolarHBondContact N-O 3.39Å; S296-V316 PolarHBondContact O-N 2.76Å; S296-V316 PolarHBondContact OG-O 2.78Å; L298-V316 HydrophobicContact CD1-CG2 4.18Å; L298-V316 HydrophobicContact CD2-CG2 3.74Å; L298-V316 HydrophobicContact CG-CG2 3.93Å
317H95.4Very high84.1Confident0 Ų054.4 Ų54.40%027%0.266CS..EExtended strand (participates in β ladder)trans-101.2138.5173.1-4567.6000107.4R267 I268 S270 A273 F274 M293 R294 V295 Y315R267-H317 CarbonylContact C-O 3.43Å; R267-H317 WeakPolarHBondContact CA-O 3.33Å; I268-H317 HydrophobicContact CB-CB 4.16Å; I268-H317 PolarHBondContact N-O 3.49Å; I268-H317 PolarHBondContact O-N 3.04Å; I268-H317 PolarHBondContact O-ND1 3.32Å; S270-H317 PolarHBondContact OG-CE1 3.23Å; A273-H317 WeakPolarHBondContact CA-NE2 3.16Å; F274-H317 AromaticContact CD2-CE1 3.72Å; F274-H317 AromaticContact CD2-NE2 3.74Å; F274-H317 PolarHBondContact N-NE2 3.2Å; M293-H317 HydrophobicContact CE-CB 4.26Å; M293-H317 HydrophobicContact SD-CB 4Å; R294-H317 CarbonylContact O-C 3.6Å; R294-H317 VanDerWaalsContact O-CA 3.26Å; R294-H317 WeakPolarHBondContact O-CA 3.34Å; V295-H317 VanDerWaalsContact CG2-CD2 3.46Å; V295-H317 WeakPolarHBondContact CG2-CD2 3.32Å; Y315-H317 PolarHBondContact O-ND1 3.04Å
318T95.2Very high85.5Confident48 Ų4852.6 Ų52.629%0.29426%0.262SS..EExtended strand (participates in β ladder)trans-127.1125.6175.1-51.50000108.7A266 R267 M293 R294 D320A266-T318 WeakPolarHBondContact O-CA 3.45Å; R267-T318 HydrophobicContact CG-CG2 4.29Å; M293-T318 CarbonylContact C-O 3.46Å; M293-T318 WeakPolarHBondContact CA-O 3.42Å; M293-T318 WeakPolarHBondContact CB-O 3.05Å; R294-T318 PolarHBondContact N-O 2.82Å; R294-T318 PolarHBondContact O-N 3.16Å; T318-D320 PolarHBondContact O-N 3.16Å
319I96Very high86.7Confident3 Ų353.8 Ų53.82%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-65.6120.4178-56.5-62.7000109L262 G265 A266 I268 I292 M293 R321L262-I319 HydrophobicContact CB-CD1 4.32Å; L262-I319 HydrophobicContact CB-CG1 3.96Å; L262-I319 HydrophobicContact CD1-CD1 4.31Å; L262-I319 HydrophobicContact CD1-CG1 4.35Å; G265-I319 WeakPolarHBondContact CA-O 3.39Å; G265-I319 PolarHBondContact N-O 3.22Å; A266-I319 HydrophobicContact CB-CG1 4.11Å; A266-I319 PolarHBondContact O-N 2.93Å; I268-I319 HydrophobicContact CD1-CD1 4.44Å; I292-I319 CarbonylContact O-C 3.57Å; I292-I319 WeakPolarHBondContact O-CA 3.47Å; M293-I319 HydrophobicContact CB-CD1 4.45Å; M293-I319 HydrophobicContact CE-CD1 3.73Å; I319-R321 VanDerWaalsContact CG2-NH1 3.26Å
320D95.4Very high88Confident16 Ų1653.1 Ų53.19%0.08626%0.261CS..  trans-147.395.3-178.2173.122000109.4E264 I292 R294 T318 S322 L323E264-D320 WeakPolarHBondContact OE1-CA 3.43Å; I292-D320 CarbonylContact C-O 3.48Å; I292-D320 VanDerWaalsContact C-O 3.27Å; I292-D320 WeakPolarHBondContact CA-O 3.19Å; I292-D320 CarbonylContact O-C 3.59Å; I292-D320 PolarHBondContact O-N 2.87Å; R294-D320 HydrophobicContact CG-CB 4.27Å; R294-D320 IonicContact CZ-OD2 3.7Å; R294-D320 IonicContact NE-OD2 2.79Å; R294-D320 PolarHBondContact NE-OD2 3.23Å; R294-D320 IonicContact NH2-OD1 3.88Å; R294-D320 IonicContact NH2-OD2 2.77Å; R294-D320 PolarHBondContact NH2-OD2 3.37Å; T318-D320 PolarHBondContact O-N 3.16Å; D320-S322 VanDerWaalsContact C-N 3.28Å; D320-S322 WeakPolarHBondContact OD1-CB 3.49Å; D320-S322 PolarHBondContact OD1-N 3.48Å; D320-S322 PolarHBondContact OD1-OG 3.25Å; D320-L323 HydrophobicContact CB-CG 4.4Å; D320-L323 WeakPolarHBondContact O-CG 3.47Å; D320-L323 WeakPolarHBondContact OD2-CD2 3.46Å; D320-L323 VanDerWaalsContact OD2-CG 3.28Å; D320-L323 WeakPolarHBondContact OD2-CG 3.38Å
321R94.4Very high88.9Confident74 Ų7450.4 Ų50.428%0.27925%0.253SS..THydrogen-bonded Turntrans-75-16.8176.6-68.5174176.490.30.4112.3A260 L262 E264 I292 I319 L323 L324 E325A260-R321 PolarHBondContact O-NH2 3.14Å; L262-R321 PolarHBondContact O-NH1 3.18Å; L262-R321 PolarHBondContact O-NH2 3.12Å; E264-R321 PolarHBondContact OE1-N 3.29Å; E264-R321 VanDerWaalsContact OE2-CD 3.27Å; E264-R321 WeakPolarHBondContact OE2-CD 3.43Å; E264-R321 VanDerWaalsContact OE2-CG 3.24Å; E264-R321 WeakPolarHBondContact OE2-CG 3.47Å; E264-R321 IonicContact OE2-CZ 2.88Å; E264-R321 IonicContact OE2-NE 3.24Å; E264-R321 IonicContact OE2-NH1 2.88Å; E264-R321 PolarHBondContact OE2-NH1 3.37Å; I292-R321 HydrophobicContact CB-CG 4.02Å; I292-R321 HydrophobicContact CG2-CG 3.96Å; I319-R321 VanDerWaalsContact CG2-NH1 3.26Å; R321-L323 PolarHBondContact O-N 2.88Å; R321-L323 VanDerWaalsContact O-N 3.11Å; R321-L324 WeakPolarHBondContact O-CB 3.23Å; R321-L324 PolarHBondContact O-N 3.07Å; R321-E325 PolarHBondContact O-N 2.93Å; R321-E325 VanDerWaalsContact O-N 3.12Å
322S92.7Very high89.8Confident32 Ų3254.8 Ų54.822%0.22426%0.264CS..Hα-helixtrans-61.3-23.4177.183.10000112.5D320 L324 Q326D320-S322 VanDerWaalsContact C-N 3.28Å; D320-S322 WeakPolarHBondContact OD1-CB 3.49Å; D320-S322 PolarHBondContact OD1-N 3.48Å; D320-S322 PolarHBondContact OD1-OG 3.25Å; S322-L324 VanDerWaalsContact C-N 3.32Å; S322-L324 PolarHBondContact O-N 3.15Å; S322-Q326 VanDerWaalsContact O-CB 3.24Å; S322-Q326 WeakPolarHBondContact O-CB 3.5Å; S322-Q326 WeakPolarHBondContact O-CG 3.42Å; S322-Q326 PolarHBondContact O-N 3.14Å; S322-Q326 PolarHBondContact O-NE2 2.96Å; S322-Q326 PolarHBondContact OG-NE2 3.14Å
323L90.2Very high90.3Very high40 Ų4058.3 Ų58.321%0.20928%0.284CS..Hα-helixtrans-59.3-43.1171.6-57.2177.7000112I281 R294 D320 R321 Y327I281-L323 VanDerWaalsContact CD1-C 3.5Å; I281-L323 HydrophobicContact CD1-CB 3.83Å; I281-L323 VanDerWaalsContact CD1-O 3.28Å; I281-L323 WeakPolarHBondContact CD1-O 3.42Å; R294-L323 HydrophobicContact CG-CD1 4.04Å; D320-L323 HydrophobicContact CB-CG 4.4Å; D320-L323 WeakPolarHBondContact O-CG 3.47Å; D320-L323 WeakPolarHBondContact OD2-CD2 3.46Å; D320-L323 VanDerWaalsContact OD2-CG 3.28Å; D320-L323 WeakPolarHBondContact OD2-CG 3.38Å; R321-L323 PolarHBondContact O-N 2.88Å; R321-L323 VanDerWaalsContact O-N 3.11Å; L323-Y327 PolarHBondContact O-N 3.48Å; L323-Y327 VanDerWaalsContact O-N 3.09Å
324L91.8Very high89.6Confident38 Ų3861.3 Ų61.320%0.19930%0.303CS..Hα-helixtrans-76-40.3-179.4-174.457.2000111.2I281 L286 I292 R321 S322 Q326 Y327 F328I281-L324 HydrophobicContact CG2-CD1 4.48Å; L286-L324 HydrophobicContact CD2-CD1 3.76Å; I292-L324 HydrophobicContact CG2-CD2 3.95Å; R321-L324 WeakPolarHBondContact O-CB 3.23Å; R321-L324 PolarHBondContact O-N 3.07Å; S322-L324 VanDerWaalsContact C-N 3.32Å; S322-L324 PolarHBondContact O-N 3.15Å; L324-Q326 PolarHBondContact O-N 3Å; L324-Y327 WeakPolarHBondContact O-CA 3.38Å; L324-Y327 VanDerWaalsContact O-CB 3.31Å; L324-Y327 WeakPolarHBondContact O-CB 3.21Å; L324-Y327 PolarHBondContact O-N 3.43Å; L324-F328 HydrophobicContact CD1-CD2 4.05Å; L324-F328 HydrophobicContact CD1-CE2 3.5Å; L324-F328 HydrophobicContact CD1-CZ 4.25Å; L324-F328 HydrophobicContact CD2-CE2 4.36Å; L324-F328 HydrophobicContact CG-CD2 4.05Å; L324-F328 HydrophobicContact CG-CE2 3.72Å; L324-F328 VanDerWaalsContact O-CD2 3.32Å; L324-F328 WeakPolarHBondContact O-CD2 3.23Å; L324-F328 PolarHBondContact O-N 2.8Å
325E91Very high88.2Confident134 Ų13471.1 Ų71.163%0.62635%0.345SS*.Hα-helixtrans-59-47.2171.3-63179.9155.900111.4R321 Y327 F328 A329R321-E325 PolarHBondContact O-N 2.93Å; R321-E325 VanDerWaalsContact O-N 3.12Å; E325-Y327 PolarHBondContact O-N 2.91Å; E325-F328 PolarHBondContact O-N 2.76Å; E325-A329 VanDerWaalsContact O-CB 3.3Å; E325-A329 WeakPolarHBondContact O-CB 3.24Å; E325-A329 PolarHBondContact O-N 3.3Å
326Q90Very high86.4Confident96 Ų9671.3 Ų71.345%0.44936%0.355SS..Hα-helixtrans-61.1-29.9173.8-73.8169.553.500112.3S322 L324 R330S322-Q326 VanDerWaalsContact O-CB 3.24Å; S322-Q326 WeakPolarHBondContact O-CB 3.5Å; S322-Q326 WeakPolarHBondContact O-CG 3.42Å; S322-Q326 PolarHBondContact O-N 3.14Å; S322-Q326 PolarHBondContact O-NE2 2.96Å; S322-Q326 PolarHBondContact OG-NE2 3.14Å; L324-Q326 PolarHBondContact O-N 3Å; Q326-R330 VanDerWaalsContact O-CG 3.31Å; Q326-R330 WeakPolarHBondContact O-CG 3.38Å; Q326-R330 PolarHBondContact O-N 2.89Å; Q326-R330 PolarHBondContact O-NE 3.15Å
327Y90.2Very high84.1Confident26 Ų2679.4 Ų79.410%0.10239%0.39CS..Hα-helixtrans-66.8-53.5172-171.6-99.1000111.4I281 T282 D283 L286 L323 L324 E325 A329 R330 L331I281-Y327 HydrophobicContact CB-CD2 3.77Å; I281-Y327 HydrophobicContact CB-CE2 4.3Å; I281-Y327 HydrophobicContact CB-CG 4.11Å; I281-Y327 HydrophobicContact CG2-CD1 3.81Å; I281-Y327 HydrophobicContact CG2-CD2 3.49Å; I281-Y327 VanDerWaalsContact CG2-CD2 3.49Å; I281-Y327 HydrophobicContact CG2-CE1 4.21Å; I281-Y327 HydrophobicContact CG2-CE2 3.92Å; I281-Y327 HydrophobicContact CG2-CG 3.43Å; I281-Y327 VanDerWaalsContact CG2-CG 3.43Å; I281-Y327 WeakPolarHBondContact O-CE2 3.29Å; T282-Y327 WeakPolarHBondContact CA-OH 3.22Å; D283-Y327 PolarHBondContact N-OH 2.81Å; D283-Y327 VanDerWaalsContact N-OH 3.15Å; D283-Y327 PolarHBondContact OD1-OH 3.35Å; D283-Y327 PolarHBondContact OD2-OH 3.22Å; L286-Y327 HydrophobicContact CD2-CD1 3.73Å; L286-Y327 HydrophobicContact CD2-CE1 3.77Å; L323-Y327 PolarHBondContact O-N 3.48Å; L323-Y327 VanDerWaalsContact O-N 3.09Å; L324-Y327 WeakPolarHBondContact O-CA 3.38Å; L324-Y327 VanDerWaalsContact O-CB 3.31Å; L324-Y327 WeakPolarHBondContact O-CB 3.21Å; L324-Y327 PolarHBondContact O-N 3.43Å; E325-Y327 PolarHBondContact O-N 2.91Å; Y327-A329 VanDerWaalsContact C-N 3.33Å; Y327-A329 PolarHBondContact O-N 3.27Å; Y327-R330 PolarHBondContact O-N 2.79Å; Y327-R330 VanDerWaalsContact O-N 3.16Å; Y327-L331 HydrophobicContact CD1-CD1 3.97Å; Y327-L331 HydrophobicContact CD1-CG 4.4Å; Y327-L331 HydrophobicContact CE1-CD1 3.48Å; Y327-L331 VanDerWaalsContact CE1-CD1 3.48Å; Y327-L331 HydrophobicContact CE1-CG 4.04Å; Y327-L331 PolarHBondContact O-N 3.48Å; Y327-L331 VanDerWaalsContact O-N 3.07Å
328F90.9Very high81.7Confident89 Ų8986.2 Ų86.239%0.3943%0.426SS..Hα-helixtrans-65.6-33178.9-70.7-62.5000113.3L286 L324 E325 L331 K332L286-F328 HydrophobicContact CD1-CZ 4.35Å; L286-F328 HydrophobicContact CD2-CZ 4.09Å; L324-F328 HydrophobicContact CD1-CD2 4.05Å; L324-F328 HydrophobicContact CD1-CE2 3.5Å; L324-F328 HydrophobicContact CD1-CZ 4.25Å; L324-F328 HydrophobicContact CD2-CE2 4.36Å; L324-F328 HydrophobicContact CG-CD2 4.05Å; L324-F328 HydrophobicContact CG-CE2 3.72Å; L324-F328 VanDerWaalsContact O-CD2 3.32Å; L324-F328 WeakPolarHBondContact O-CD2 3.23Å; L324-F328 PolarHBondContact O-N 2.8Å; E325-F328 PolarHBondContact O-N 2.76Å; F328-L331 HydrophobicContact CD1-CD1 4.13Å; F328-L331 HydrophobicContact CE1-CD1 4.48Å; F328-L331 PolarHBondContact O-N 3.44Å; F328-K332 WeakPolarHBondContact O-CG 3.3Å; F328-K332 PolarHBondContact O-N 2.85Å
329A88.6Confident79.3Confident47 Ų4791.6 Ų91.639%0.38845%0.448SS..Hα-helixtrans-61.8-41.6172.300000112E325 Y327 K332 N333E325-A329 VanDerWaalsContact O-CB 3.3Å; E325-A329 WeakPolarHBondContact O-CB 3.24Å; E325-A329 PolarHBondContact O-N 3.3Å; Y327-A329 VanDerWaalsContact C-N 3.33Å; Y327-A329 PolarHBondContact O-N 3.27Å; A329-K332 PolarHBondContact O-N 3.45Å; A329-N333 WeakPolarHBondContact O-CB 3.3Å; A329-N333 PolarHBondContact O-N 2.83Å
330R86Confident76.9Confident124 Ų12499 Ų9947%0.46849%0.487SS..Hα-helixtrans-68.6-30.6174.8-75.1174-68.1-176.8-3.4113.2Q326 Y327 N333Q326-R330 VanDerWaalsContact O-CG 3.31Å; Q326-R330 WeakPolarHBondContact O-CG 3.38Å; Q326-R330 PolarHBondContact O-N 2.89Å; Q326-R330 PolarHBondContact O-NE 3.15Å; Y327-R330 PolarHBondContact O-N 2.79Å; Y327-R330 VanDerWaalsContact O-N 3.16Å; R330-N333 CarbonylContact O-C 3.52Å
331L86.1Confident74.5Confident88 Ų88105.9 Ų105.946%0.46152%0.519SS..Hα-helixtrans-71-42.3171.9-71.2-178.3000112.1Y327 F328Y327-L331 HydrophobicContact CD1-CD1 3.97Å; Y327-L331 HydrophobicContact CD1-CG 4.4Å; Y327-L331 HydrophobicContact CE1-CD1 3.48Å; Y327-L331 VanDerWaalsContact CE1-CD1 3.48Å; Y327-L331 HydrophobicContact CE1-CG 4.04Å; Y327-L331 PolarHBondContact O-N 3.48Å; Y327-L331 VanDerWaalsContact O-N 3.07Å; F328-L331 HydrophobicContact CD1-CD1 4.13Å; F328-L331 HydrophobicContact CE1-CD1 4.48Å; F328-L331 PolarHBondContact O-N 3.44Å
332K86.4Confident71.9Confident173 Ų173106.2 Ų106.275%0.75253%0.529SS*.Hα-helixtrans-66.4-36.8175.7-71.7176.8180-178.80112.4F328 A329 P334F328-K332 WeakPolarHBondContact O-CG 3.3Å; F328-K332 PolarHBondContact O-N 2.85Å; A329-K332 PolarHBondContact O-N 3.45Å; K332-P334 WeakPolarHBondContact O-CD 3.5Å
333N79.9Confident69.6Low100 Ų100107.6 Ų107.654%0.53554%0.536SS..  trans-112.769.6-179-70.6-31.1000112.8A329 R330 K335 S336A329-N333 WeakPolarHBondContact O-CB 3.3Å; A329-N333 PolarHBondContact O-N 2.83Å; R330-N333 CarbonylContact O-C 3.52Å; N333-K335 PolarHBondContact O-N 3.44Å; N333-S336 PolarHBondContact O-N 3.46Å; N333-S336 PolarHBondContact O-OG 2.79Å; N333-S336 VanDerWaalsContact O-OG 3.05Å
334P67.2Low67.4Low92 Ų92113.4 Ų113.460%0.59756%0.555SS**THydrogen-bonded Turntrans-64.6-8.9-179.628.5-36.5000114.2K332K332-P334 WeakPolarHBondContact O-CD 3.5Å
335K58.7Low65.8Low207 Ų207118.4 Ų118.490%0.957%0.572SS**THydrogen-bonded Turntrans-83.7-21.7173.9-66.4-177.2179.7177.50113.6N333 K337N333-K335 PolarHBondContact O-N 3.44Å; K335-K337 PolarHBondContact O-N 2.82Å
336S54.8Low64.9Low61 Ų61114 Ų11443%0.42755%0.553SS.*  trans-8252.7-178.168.70000112.6N333 N338N333-S336 PolarHBondContact O-N 3.46Å; N333-S336 PolarHBondContact O-OG 2.79Å; N333-S336 VanDerWaalsContact O-OG 3.05Å; S336-N338 PolarHBondContact O-N 2.82Å
337K45.4Very low63.9Low179 Ų179122 Ų12278%0.77858%0.578SS**  trans-80.568173.5-73.9-177.1178.7173.30110.6K335K335-K337 PolarHBondContact O-N 2.82Å
338N45Very low62.7Low143 Ų143128.8 Ų128.877%0.76561%0.609SS**  trans-61.9138.8171.4-68.510.4000109.4S336 N340S336-N338 PolarHBondContact O-N 2.82Å; N338-N340 VanDerWaalsContact C-N 3.26Å; N338-N340 PolarHBondContact O-N 3.32Å; N338-N340 VanDerWaalsContact O-N 3.1Å
339E44.3Very low60.9Low162 Ų162126.7 Ų126.776%0.75761%0.613SS**G310 helixtrans-78-6.2-150.2-63.5171.7116.200114.7Q341 T342E339-Q341 VanDerWaalsContact C-N 3.29Å; E339-Q341 PolarHBondContact O-N 3.29Å; E339-Q341 VanDerWaalsContact O-N 3.08Å; E339-T342 PolarHBondContact O-OG1 2.8Å
340N45.2Very low59.5Low158 Ų158131.9 Ų131.985%0.84562%0.622SS**G310 helixtrans-78.29.7-167.6-65.7-14.9000116.5N338N338-N340 VanDerWaalsContact C-N 3.26Å; N338-N340 PolarHBondContact O-N 3.32Å; N338-N340 VanDerWaalsContact O-N 3.1Å
341Q46.2Very low58.2Low160 Ų160130.6 Ų130.675%0.74863%0.628SS**G310 helixtrans-138.223.2175.8-76.9-1638.600115.4E339 V343E339-Q341 VanDerWaalsContact C-N 3.29Å; E339-Q341 PolarHBondContact O-N 3.29Å; E339-Q341 VanDerWaalsContact O-N 3.08Å; Q341-V343 PolarHBondContact O-N 3.16Å
342T40Very low56.7Low81 Ų81129.7 Ų129.750%0.49762%0.622SS.*  trans-74.257168.738.20000113.2E339 R344E339-T342 PolarHBondContact O-OG1 2.8Å; T342-R344 PolarHBondContact O-N 2.88Å
343V44.7Very low54.9Low61 Ų61124.4 Ų124.437%0.3761%0.608SS.*  trans-63.283.4169.51750000109.7Q341 R345 V351Q341-V343 PolarHBondContact O-N 3.16Å; V343-R345 HydrophobicContact CG1-CG 4.24Å; V343-R345 PolarHBondContact O-NH1 3.32Å; V343-V351 HydrophobicContact CG1-CB 4.16Å; V343-V351 HydrophobicContact CG1-CG1 3.9Å; V343-V351 HydrophobicContact CG1-CG2 3.7Å
344R43.9Very low53.3Low162 Ų162123.8 Ų123.861%0.61160%0.602SS**  trans-56.8135.3167.6-75.8177.3162.3109.7-7.3107.7T342 I352 E354T342-R344 PolarHBondContact O-N 2.88Å; R344-I352 HydrophobicContact CB-CB 4.28Å; R344-I352 HydrophobicContact CB-CD1 4.43Å; R344-I352 WeakPolarHBondContact O-CB 3.44Å; R344-I352 PolarHBondContact O-N 2.87Å; R344-E354 IonicContact NH1-OE1 3.55Å; R344-E354 PolarHBondContact NH1-OE1 2.72Å
345R58.3Low52.2Low143 Ų143123 Ų12354%0.5460%0.603SS.*BIsolated β-bridgetrans-122.1142.3178.4-71.6177.717486.6-7110.4V343 G349 R350V343-R345 HydrophobicContact CG1-CG 4.24Å; V343-R345 PolarHBondContact O-NH1 3.32Å; R345-G349 WeakPolarHBondContact CD-O 3.38Å; R345-R350 WeakPolarHBondContact CA-O 3.36Å
346D71.9Confident51.4Low42 Ų42117.8 Ų117.823%0.22559%0.588CS.*  trans-67.9170.5171.980.9-13.3000111.2K348 G349 R350 I352D346-K348 PolarHBondContact O-N 3.28Å; D346-K348 VanDerWaalsContact OD1-CA 3.23Å; D346-K348 WeakPolarHBondContact OD1-CA 3.41Å; D346-K348 VanDerWaalsContact OD1-CB 3.32Å; D346-K348 WeakPolarHBondContact OD1-CB 3.43Å; D346-K348 PolarHBondContact OD1-N 2.91Å; D346-G349 PolarHBondContact O-N 2.84Å; D346-G349 PolarHBondContact OD1-N 3.28Å; D346-R350 PolarHBondContact N-O 3.3Å; D346-R350 PolarHBondContact OD1-N 2.94Å; D346-R350 IonicContact OD1-NE 2.74Å; D346-R350 IonicContact OD2-CZ 3.16Å; D346-R350 VanDerWaalsContact OD2-CZ 3.27Å; D346-R350 IonicContact OD2-NE 3.91Å; D346-R350 PolarHBondContact OD2-NE 2.87Å; D346-R350 IonicContact OD2-NH2 2.89Å; D346-R350 PolarHBondContact OD2-NH2 3.29Å; D346-I352 HydrophobicContact CB-CD1 4.36Å
347R67.5Low50.7Low263 Ų263120.4 Ų120.499%0.99260%0.595SS**THydrogen-bonded Turntrans-63.25.8174.2-74.7-175.3174.3178.3-1.6114.2
348K66.6Low50.4Low169 Ų169119 Ų11974%0.73559%0.591SS**THydrogen-bonded Turntrans-117.97.6174.6-54.3176179.9175.70112.1D346D346-K348 PolarHBondContact O-N 3.28Å; D346-K348 VanDerWaalsContact OD1-CA 3.23Å; D346-K348 WeakPolarHBondContact OD1-CA 3.41Å; D346-K348 VanDerWaalsContact OD1-CB 3.32Å; D346-K348 WeakPolarHBondContact OD1-CB 3.43Å; D346-K348 PolarHBondContact OD1-N 2.91Å
349G51.9Low50Low46 Ų46120.7 Ų120.747%0.47460%0.595SS.*  trans82.63.2176.100000115.7R345 D346R345-G349 WeakPolarHBondContact CD-O 3.38Å; D346-G349 PolarHBondContact O-N 2.84Å; D346-G349 PolarHBondContact OD1-N 3.28Å
350R59.9Low49.6Very low156 Ų156117.2 Ų117.259%0.58959%0.588SS**  trans-78.6136.6-177.9-64.1179.5-64.9164.57.3111R345 D346 I352R345-R350 WeakPolarHBondContact CA-O 3.36Å; D346-R350 PolarHBondContact N-O 3.3Å; D346-R350 PolarHBondContact OD1-N 2.94Å; D346-R350 IonicContact OD1-NE 2.74Å; D346-R350 IonicContact OD2-CZ 3.16Å; D346-R350 VanDerWaalsContact OD2-CZ 3.27Å; D346-R350 IonicContact OD2-NE 3.91Å; D346-R350 PolarHBondContact OD2-NE 2.87Å; D346-R350 IonicContact OD2-NH2 2.89Å; D346-R350 PolarHBondContact OD2-NH2 3.29Å; R350-I352 PolarHBondContact O-N 2.86Å
351V58.8Low49.2Very low96 Ų96114.4 Ų114.458%0.58258%0.581SS**BIsolated β-bridgetrans-58.4126.9174171.30000110V343V343-V351 HydrophobicContact CG1-CB 4.16Å; V343-V351 HydrophobicContact CG1-CG1 3.9Å; V343-V351 HydrophobicContact CG1-CG2 3.7Å
352I55Low48.7Very low69 Ų69111.9 Ų111.935%0.35457%0.571SS.*  trans-100.6107.7167.7-55.1171.6000106.1R344 D346 R350R344-I352 HydrophobicContact CB-CB 4.28Å; R344-I352 HydrophobicContact CB-CD1 4.43Å; R344-I352 WeakPolarHBondContact O-CB 3.44Å; R344-I352 PolarHBondContact O-N 2.87Å; D346-I352 HydrophobicContact CB-CD1 4.36Å; R350-I352 PolarHBondContact O-N 2.86Å
353S47.4Very low48.4Very low63 Ų63114.1 Ų114.144%0.44158%0.576SS.*  trans-72.2130.9171.343.30000110.3A355 T356S353-A355 PolarHBondContact O-N 3.36Å; S353-T356 PolarHBondContact O-N 2.87Å; S353-T356 VanDerWaalsContact O-N 3.07Å; S353-T356 PolarHBondContact O-OG1 2.81Å; S353-T356 PolarHBondContact OG-OG1 2.98Å
354E47.4Very low47.7Very low87 Ų87119.2 Ų119.241%0.40760%0.601SS.*G310 helixtrans-68-18.4-176.8-73.6169.2141.900113R344 T356 M357R344-E354 IonicContact NH1-OE1 3.55Å; R344-E354 PolarHBondContact NH1-OE1 2.72Å; E354-T356 PolarHBondContact O-N 3.39Å; E354-M357 PolarHBondContact O-N 2.86Å
355A43.8Very low47.1Very low75 Ų75117.9 Ų117.962%0.6261%0.61SS**G310 helixtrans-52.8-22.1166.800000114.5S353S353-A355 PolarHBondContact O-N 3.36Å
356T41.5Very low45.8Very low97 Ų97117.9 Ų117.960%0.59562%0.62SS**G310 helixtrans-94.910.2179.8-32.20000113.3S353 E354S353-T356 PolarHBondContact O-N 2.87Å; S353-T356 VanDerWaalsContact O-N 3.07Å; S353-T356 PolarHBondContact O-OG1 2.81Å; S353-T356 PolarHBondContact OG-OG1 2.98Å; E354-T356 PolarHBondContact O-N 3.39Å
357M40.6Very low43.9Very low117 Ų117123.3 Ų123.358%0.57665%0.649SS**THydrogen-bonded Turntrans-117.2-20.6-179.2-72-105.457.100114.3E354E354-M357 PolarHBondContact O-N 2.86Å
358Q37.7Very low42.4Very low148 Ų148115.2 Ų115.269%0.69264%0.639SS**G310 helixtrans-85.4-28.2-177-74.2178-37.100114.3S360 S361Q358-S360 PolarHBondContact O-N 3.32Å; Q358-S361 PolarHBondContact O-N 3.35Å
359E37.2Very low40.7Very low180 Ų180113.7 Ų113.784%0.84164%0.644SS**G310 helixtrans-69.48.6178.9-62.2-174131.100114.8
360S35.6Very low39.9Very low89 Ų89118 Ų11862%0.62266%0.656SS**G310 helixtrans-135.121.4-177.755.50000113.5Q358Q358-S360 PolarHBondContact O-N 3.32Å
361S36.6Very low38.7Very low98 Ų98116.5 Ų116.569%0.68566%0.66SS**SBendtrans-141.410.1178.7-60.40000114.4Q358Q358-S361 PolarHBondContact O-N 3.35Å
362I35.6Very low37.4Very low107 Ų107118.7 Ų118.755%0.54967%0.668SS.*  trans-125.876.5172.3-51.8-179.4000108.4
363Q34.1Very low36.5Very low128 Ų128123.6 Ų123.660%0.59869%0.69SS**  trans-145.2148.2150.6-77.4-163.5-25.400105.8
364L31.2Very low35.9Very low169 Ų169128.7 Ų128.789%0.88571%0.706SS**SBendtrans81.9139-166.5-51.6162.3000114.9
365T30.4Very low35.1Very low133 Ų133130.5 Ų130.582%0.81672%0.719SS**  trans81.845.3166.3-13.60000119
366L30.1Very low34.7Very low143 Ų143132.1 Ų132.175%0.74972%0.721SS**SBendtrans-116.182.1138.8-79.8178.4000109.1
367N33.6Very low34.1Very low156 Ų156135.2 Ų135.283%0.83473%0.734SS**SBendtrans-169.5151.7165.8-102-34.9000109.9
368A34.3Very low33.8Very low94 Ų94133.3 Ų133.378%0.77775%0.745SS**  trans56.183.7172.300000117D370A368-D370 PolarHBondContact O-N 2.84Å
369T31.4Very low33.4Very low136 Ų136134.6 Ų134.683%0.83476%0.756SS**  trans-65.2107.7134.545.20000108.2
370D35.3Very low33.4Very low138 Ų138132.3 Ų132.374%0.73875%0.754SS**  177.6152.6126.7-97.8-7.8000114A368A368-D370 PolarHBondContact O-N 2.84Å
371N34.8Very low33.1Very low124 Ų124132.9 Ų132.966%0.66376%0.758SS**  trans54.891.8155.8-70.6-53.9000120.5
372N31.3Very low33.2Very low142 Ų142137 Ų13776%0.75977%0.766SS**  68.3148.8109.9-89.7-47000122.7
373Q36.6Very low33Very low172 Ų172141.1 Ų141.180%0.80478%0.78SS**  trans74.694.6161.3-66.9178.52900120.2
374H33.9Very low33Very low169 Ų169140 Ų14078%0.78279%0.793SS**  61.5134.2119.4-91.5-79.1000123.7
375N31.6Very low33Very low126 Ų126141.4 Ų141.467%0.67479%0.792SS**  trans90.4105.4139.1-74.3-1.8000122.4
376T34.5Very low33.1Very low109 Ų109147.1 Ų147.167%0.66980%0.798SS**  79112.6126.257.90000122
377N29.9Very low33Very low161 Ų161145.5 Ų145.586%0.86180%0.799SS**  59.7107.9127.4-57.4-19.2000120.2
378G33.5Very low33Very low78 Ų78144 Ų14480%0.80480%0.798SS**  trans-16085.5164.900000113.7
379N30.4Very low32.8Very low175 Ų175145.2 Ų145.294%0.93680%0.796SS**  trans-83.1118.5175.4-93.4-40.5000111.7
380V36.4Very low32.8Very low132 Ų132146.2 Ų146.280%0.879%0.794SS**  trans-136.9131.4154.2-177.50000109.3
381S30.5Very low32.6Very low100 Ų100146 Ų14670%0.69979%0.792SS**  trans-117131.7179.6700000111.7
382H38.1Very low32.2Very low185 Ų185149.4 Ų149.486%0.85680%0.801SS**  trans-122.7126.7162.2-83.7-88.3000111.5
383K31.5Very low32.2Very low194 Ų194151.1 Ų151.184%0.84380%0.804SS**  trans-97.2131.9175.8-76.4169.6176.2156.90109.8
384A34.2Very low31.6Very low105 Ų105149 Ų14987%0.86881%0.806SS**  trans-117.5132.4153.400000109
385K31.6Very low31.3Very low198 Ų198145.8 Ų145.886%0.86180%0.803SS**  trans-104.6141.4172.4-66.2176.3180174.10109
386R32.6Very low31.1Very low252 Ų252144.4 Ų144.495%0.95180%0.803SS**  trans-157.5136.1144.9-115.8165.4177179.8-3.3111.6
387S27.9Very low30.7Very low110 Ų110145 Ų14577%0.76981%0.807SS**  trans-86.6167166.9-46.90000109.5
388P33.9Very low30.5Very low124 Ų124140.3 Ų140.381%0.80579%0.787SS**  -144.1-176.4109.938.8-25000115.3
389T28.4Very low30.2Very low119 Ų119145.9 Ų145.973%0.7378%0.783SS**  trans-96.5139.8-176.3-56.70000112
390I32.6Very low30Very low158 Ų158143.2 Ų143.281%0.8178%0.777SS**  trans-136.5106.2165.3-59.5178.7000105.2
391I30.7Very low29.7Very low132 Ų132144.8 Ų144.868%0.67778%0.78SS**  67.4123.564.6-58-177.8000112.1
392K26Very low29.8Very low196 Ų196145.5 Ų145.585%0.85278%0.782SS**  trans-90.6139.7177.4-60.3176.3179.6179.80109.6
393H31Very low29.4Very low178 Ų178147.8 Ų147.882%0.82478%0.784SS**  trans-143140.6153.4-98.5-87.8000110
394C23.7Very low29.2Very low127 Ų127149.8 Ų149.886%0.85879%0.786SS**  trans-104.2131.6167.8-60.20000108.4
395S28.6Very low28.8Very low103 Ų103150.1 Ų150.172%0.7278%0.782SS**  trans-170.9141.2154.7520000112.7
396S27Very low28.7Very low96 Ų96145.1 Ų145.167%0.67178%0.777SS**  trans62.7124.2139.163.80000122.3
397T25.6Very low28.5Very low121 Ų121137.6 Ų137.674%0.74276%0.764SS**  trans75.7111.2130.656.30000122.7
398S26.8Very low28.5Very low63 Ų63140 Ų14044%0.44177%0.767SS.*  84.6140.9120.279.80000120.9
399R26.1Very low28.3Very low195 Ų195141.1 Ų141.174%0.73677%0.765SS**  trans68.6145.4165-56162.1-80.3-179.8-1112.7
400C27Very low28.2Very low120 Ų120142.9 Ų142.981%0.81177%0.765SS**  cis-148142.534.5-71.10000113.4
401L29.6Very low28.2Very low165 Ų165142.3 Ų142.386%0.86477%0.769SS**  trans-76.3170.5141.3-61.1170.2000108.1
402P32.8Very low28.1Very low114 Ų114141.3 Ų141.374%0.7477%0.769SS**  cis-145.5-156.916.840.3-17000114.9
403R29.9Very low28.4Very low234 Ų234136.4 Ų136.488%0.88377%0.765SS**  trans89.1124.1172.3-57.8-176.5168.9-156.4-3.8114.8
404R27.4Very low28.5Very low236 Ų236133.5 Ų133.589%0.89177%0.765SS**  cis81.4141.942.9-99.9-166.3172.8-172.6-0.8115
405S26.1Very low29Very low111 Ų111133.2 Ų133.278%0.77676%0.764SS**  trans84.6150.2162.9-13.20000116.6
406A30.2Very low29.3Very low93 Ų93134.1 Ų134.177%0.76977%0.767SS**  trans68.6145.1173.700000117.4
407S28.3Very low29.6Very low95 Ų95135.2 Ų135.266%0.66478%0.775SS**  cis176.9142.4-35.245.60000108.6
408L26.6Very low29.9Very low160 Ų160138.6 Ų138.684%0.83878%0.783SS**  trans63.4169.1159.3-64.6162.9000114.3
409L29.6Very low29.9Very low148 Ų148143.4 Ų143.478%0.77580%0.802SS**  cis-139.1152.75.9-139.1146.3000110.3
410E26.2Very low30.2Very low155 Ų155142.6 Ų142.672%0.72481%0.811SS**  trans-81.1144.8177.1179.5179.5-164.600111.8T412E410-T412 HydrophobicContact CG-CG2 3.95Å
411V32.7Very low30.2Very low147 Ų147141.8 Ų141.889%0.89181%0.806SS**  trans-138.1128.3165.3-179.10000108.6
412T28.3Very low30.5Very low110 Ų110140.5 Ų140.568%0.67581%0.805SS**  trans-112.1135.5-165.849.90000113.3E410E410-T412 HydrophobicContact CG-CG2 3.95Å
413A33.4Very low30.4Very low94 Ų94143.8 Ų143.878%0.77781%0.811SS**  trans178.2145.7149.900000110.2
414S33.6Very low30.5Very low116 Ų116135.9 Ų135.981%0.81180%0.803SS**  cis175105.4-40.944.60000108.9
415S33.8Very low30.8Very low122 Ų122136.8 Ų136.885%0.85381%0.806SS**  trans-170.9120.7157.1-1640000111.2
416P33.8Very low31.1Very low121 Ų121140.3 Ų140.379%0.78681%0.807SS**  trans-121.3136.2-179.137.8-26000115.1
417S33.6Very low31Very low119 Ų119143.3 Ų143.383%0.83281%0.81SS**  trans-178.9144.3160.4-94.90000107.4
418E32.9Very low31.1Very low192 Ų192144.1 Ų144.190%0.89782%0.815SS**  cis-128-171.32.4-61.9-171.6106.300111.7
419L26.8Very low31.2Very low164 Ų164144.8 Ų144.886%0.85982%0.818SS**  trans-106.4150.3-174.8-69.5155000112.8
420I31.5Very low31.2Very low179 Ų179146.3 Ų146.392%0.91882%0.822SS**  trans-168.6164.9132-98.3153.2000109.1
421S27.6Very low31.3Very low102 Ų102143.9 Ų143.971%0.71382%0.822SS**  trans-113.7-173.1-150.3-161.20000115.9
422V35.1Very low30.9Very low139 Ų139142.4 Ų142.484%0.84282%0.817SS**  trans89.6134.2175.2-171.50000115.4
423E31.1Very low30.8Very low182 Ų182144.9 Ų144.985%0.8583%0.825SS**  176.8122.2-62.5175.5169.4-153.800108.6
424G32.1Very low30.5Very low69 Ų69145.4 Ų145.471%0.71182%0.823SS**  trans105.6140.9173.900000114.5
425R32.6Very low30.5Very low255 Ų255149.6 Ų149.696%0.96283%0.827SS**  cis-135.4172.10.8-76.6-174.9176.2166.81.2112.2
426K33.3Very low30.3Very low185 Ų185151 Ų15180%0.80483%0.825SS**  trans-89.4149.1-165.7-77177.5173.7-179.30114.7
427L28.3Very low30.1Very low156 Ų156152.9 Ų152.982%0.81782%0.823SS**  trans51.5138.3135.1-55.8168.6000118.3
428S30.8Very low30Very low112 Ų112153.5 Ų153.578%0.78382%0.822SS**  cis-164.5152.446.655.80000114.1
429L27.8Very low29.8Very low173 Ų173151.5 Ų151.591%0.90682%0.815SS**  trans-90.2124.4165.4-76.9160.9000110.2
430Q29.2Very low30Very low181 Ų181148 Ų14885%0.84681%0.805SS**  trans-162.4137.8145.4-121.3172.228.500116.4
431S29.8Very low30Very low103 Ų103148.6 Ų148.672%0.7280%0.795SS**  trans45.8107.2154.556.20000119.8
432C22.9Very low30.3Very low117 Ų117150.5 Ų150.579%0.79179%0.793SS**  trans-57.2148.2146.151.40000112.3
433L27.5Very low30.1Very low162 Ų162150.6 Ų150.685%0.84879%0.787SS**  trans-179.6148130.2-98.2168.3000112.3
434S27.2Very low30.1Very low104 Ų104147.6 Ų147.673%0.72778%0.781SS**  trans-45.2150.2176.954.30000116.8
435K32.7Very low30.1Very low205 Ų205150 Ų15089%0.89179%0.788SS**  trans-126119.6154.3-74.4-176.5178.7175.10111.1
436N30.3Very low30Very low152 Ų152141.5 Ų141.581%0.81378%0.779SS**  trans-84.8158.7154.4-79.2-17.9000108.9
437E28.5Very low29.9Very low160 Ų160138.8 Ų138.875%0.74878%0.783SS**  trans-60.5151.3168.8-56.4174.490.500112.6
438T32.8Very low29.9Very low132 Ų132137.9 Ų137.981%0.8179%0.785SS**  -177.7127.9129.8-75.10000109.2
439I27.5Very low29.9Very low149 Ų149136.9 Ų136.976%0.76478%0.783SS**  trans-123.5117.8168.7-65.7179.3000110.1
440S30.5Very low30Very low90 Ų90135.2 Ų135.263%0.62978%0.78SS**  trans-172141.7167.2-84.60000107.3
441R32.5Very low29.8Very low193 Ų193135.8 Ų135.873%0.72878%0.782SS**  cis-163.7160.37.7-119.1170.5-164.9-135.3-0.2111.6
442Q33Very low29.7Very low142 Ų142142 Ų14266%0.66479%0.79SS**  trans78.7121.2142.3-75167.8-52.600123
443I30.9Very low29.7Very low140 Ų140143.4 Ų143.472%0.71879%0.786SS**  68.2116126.3-60.4167.6000116.2
444T32.7Very low29.7Very low119 Ų119142.9 Ų142.973%0.7378%0.78SS**  -148.7145.459.4420000116.4
445S31.5Very low29.6Very low121 Ų121146.6 Ų146.685%0.84678%0.783SS**  trans35.7123.6146.563.90000122.6
446G30.3Very low29.3Very low75 Ų75143.4 Ų143.477%0.77379%0.785SS**  trans141.8106.3140.800000118.1
447S32Very low29.2Very low128 Ų128144.2 Ų144.290%0.89578%0.784SS**  trans65.5137.3162.3-149.70000119.8
448T27.7Very low29.2Very low138 Ų138141.2 Ų141.285%0.84778%0.78SS**  trans-92.3124.8-172.446.10000113.8
449A30.2Very low29Very low90 Ų90144.3 Ų144.374%0.74479%0.785SS**  trans-159.6131.9151.800000113
450V29.9Very low29.1Very low139 Ų139144.6 Ų144.684%0.84278%0.783SS**  trans9.4109.4161.1-169.90000118.4
451H26.2Very low29Very low193 Ų193148.2 Ų148.289%0.89480%0.795SS**  trans-74.3138.4162.7-9427.6000112.2
452R26.5Very low28.6Very low233 Ų233148.6 Ų148.688%0.87981%0.805SS**  trans-157.184168.2-164.2176.8-168.1168.34.1113.5
453M24.5Very low28.4Very low146 Ų146145.4 Ų145.472%0.71980%0.798SS**  trans-177.1150.5151-107.3-178.4-5600112.5K1058M453-K1058 PolarHBondContact SD-NZ 2.73Å; M453-K1058 VanDerWaalsContact SD-NZ 3.35Å
454E26.5Very low28.4Very low152 Ų152147.8 Ų147.871%0.7181%0.806SS**  trans57.785151.1-63.1170.4-144.700119.1K1058E454-K1058 IonicContact OE1-NZ 2.7Å; E454-K1058 PolarHBondContact OE1-NZ 3.04Å
455K25.6Very low28.1Very low182 Ų182150.1 Ų150.179%0.79181%0.813SS**  trans-162.2112.8147.4-127.6-171.3-178.2-162.60113.2
456C25.1Very low28Very low138 Ų138154 Ų15493%0.93282%0.815SS**  trans-146.972.1171.2-850000111.4
457E28.8Very low27.9Very low169 Ų169162 Ų16279%0.7982%0.822SS**  trans-132.7140.5160.9-78.7-172.6119.400109.5
458S29.6Very low27.6Very low97 Ų97160.5 Ų160.568%0.67881%0.811SS**  trans53.486.1158.4-61.90000119.7
459Q27.3Very low27.6Very low196 Ų196162.6 Ų162.692%0.91681%0.811SS**  trans-168.797.9136.5-114.5162.691.100115.1
460H30Very low27.4Very low156 Ų156163.3 Ų163.372%0.72281%0.806SS**  trans-153.576.1147.1-15864.1000113.1S463H460-S463 PolarHBondContact CE1-OG 3.44Å; H460-S463 VanDerWaalsContact CE1-OG 3.26Å; H460-S463 PolarHBondContact NE2-OG 2.86Å
461L27.6Very low27.3Very low166 Ų166163.2 Ų163.287%0.86980%0.796SS**  trans-143.264.3164.4-88.4-178.8000110
462Q25.8Very low27.4Very low200 Ų200161 Ų16194%0.93579%0.786SS**  trans-157.541.8162-128154109.100116
463S28.4Very low27.6Very low76 Ų76159.9 Ų159.953%0.53179%0.787SS.*  trans-144.5134.1155.539.10000106H460H460-S463 PolarHBondContact CE1-OG 3.44Å; H460-S463 VanDerWaalsContact CE1-OG 3.26Å; H460-S463 PolarHBondContact NE2-OG 2.86Å
464E29.6Very low27.8Very low190 Ų190158.4 Ų158.489%0.88878%0.782SS**  cis-126.8133.716.1-55-179.7114.100112.3
465L27.9Very low28.1Very low168 Ų168159.2 Ų159.288%0.8879%0.792SS**SBendtrans-156.442.2170.8-130.3169.1000113.5
466K27.8Very low28.2Very low203 Ų203159 Ų15988%0.88379%0.794SS**  trans-170.985.7169.3-110.9163-174179.30114.6
467R28.4Very low28.4Very low243 Ų243158 Ų15892%0.91779%0.788SS**  trans-170.3116.9148-105.9171.2-172.2-109.93.5106.6
468S26.3Very low28.4Very low96 Ų96154.8 Ų154.867%0.67178%0.784SS**  cis81.298.42093.50000116.5
469H27.4Very low28.4Very low182 Ų182155.6 Ų155.684%0.84379%0.785SS**  trans76.2111.5149-88.940.1000121.3
470V26.2Very low28.4Very low105 Ų105152.9 Ų152.964%0.63678%0.776SS**  51.5110.8126.8-162.10000119.3
471H28.9Very low28.4Very low136 Ų136151.2 Ų151.263%0.6377%0.771SS**  -169.9144.7102.2-114-77.3000113.5
472H28.4Very low28.4Very low146 Ų146151.4 Ų151.468%0.67677%0.766SS**  trans-63.2149.4157.4-96.9-114.2000110.2D474H472-D474 IonicContact ND1-OD1 2.74Å; H472-D474 IonicContact ND1-OD2 2.92Å
473K30.2Very low28.6Very low211 Ų211147.1 Ų147.192%0.91775%0.753SS**  trans-149.4105.2143.3-130.5179.5-175-175.50111.5
474D28.7Very low28.6Very low115 Ų115149 Ų14962%0.61576%0.761SS**  trans-71.4154.6170.3-42.4-91.2000110.3H472H472-D474 IonicContact ND1-OD1 2.74Å; H472-D474 IonicContact ND1-OD2 2.92Å
475N32.3Very low28.8Very low169 Ų169145.4 Ų145.490%0.90476%0.757SS**  trans-157.2152.4144.8-110.7-9.6000109.8
476Q27.8Very low28.8Very low178 Ų178143.1 Ų143.183%0.83275%0.746SS**  trans-118.1-173.4-160.9-63.5172.2-70.800112.8
477S29.2Very low29Very low117 Ų117139.4 Ų139.482%0.81874%0.735SS**  trans77.3142.6179.177.40000115.1
478S28.5Very low29.1Very low101 Ų101133.6 Ų133.671%0.70673%0.727SS**  cis-160.1132.3-6.7-114.10000109
479V28.9Very low29.2Very low114 Ų114133.3 Ų133.369%0.69173%0.725SS**  96.5117.178.4160.10000113.4
480D28.9Very low29.2Very low138 Ų138132.1 Ų132.174%0.73873%0.725SS**  trans90.5159.7146.3-69.55.3000125.1
481I28.3Very low29.4Very low121 Ų121133.1 Ų133.162%0.62173%0.732SS**  -149.4178.4-70.8-42170.3000108.1
482F29.6Very low29.4Very low171 Ų171133.1 Ų133.175%0.7574%0.736SS**  trans88.5139.6157.2-65.7-82.1000119.7
483T28.4Very low29.5Very low109 Ų109133.8 Ų133.867%0.66974%0.744SS**  cis-168.3147-29.117.60000112.6
484V29.6Very low29.5Very low115 Ų115129.3 Ų129.370%0.69773%0.734SS**  trans32.6125.2133.8-178.50000121.3
485S33.3Very low29.4Very low115 Ų115132.2 Ų132.280%0.80474%0.744SS**  166152.8126.2-73.60000111.6
486N27.8Very low29.3Very low120 Ų120129.5 Ų129.564%0.64274%0.738SS**  cis-162.1166.7-41.8-139.238.9000109.9
487D31.8Very low29.3Very low125 Ų125129.9 Ų129.967%0.66874%0.74SS**  trans70.2132.2150.3-61.3-38.3000125.6
488T30.1Very low29.3Very low122 Ų122130.2 Ų130.275%0.74874%0.736SS**  trans77.896.1138.348.30000124.1
489S28.4Very low29.2Very low90 Ų90132.1 Ų132.163%0.62974%0.739SS**  65.2127.9114.370.80000123.7
490N27.3Very low29.3Very low156 Ų156132.6 Ų132.683%0.83474%0.742SS**  trans60.7146.5135.4-51.5-5.5000118.8
491T31.5Very low29.2Very low127 Ų127134.1 Ų134.178%0.77974%0.744SS**  cis-138.6163.214.746.70000112.2
492D27.9Very low29.2Very low135 Ų135135.4 Ų135.472%0.72275%0.752SS**  trans-62.7151.9168.9-53-89.5000114
493L31.7Very low29Very low161 Ų161130.3 Ų130.384%0.84374%0.741SS**  trans-156.596.1152.9-110.3176.4000111.9
494V29.6Very low29Very low116 Ų116135 Ų13570%0.70375%0.748SS**  39.3134.5127.6-174.30000120.8
495E26.1Very low28.9Very low177 Ų177136.1 Ų136.183%0.82775%0.75SS**  trans100.3147.2145.8-102.8-180163.400124.8
496S30.4Very low28.8Very low111 Ų111138.2 Ų138.278%0.77675%0.747SS**  trans90.8129152.374.50000120.6
497H28.4Very low29.2Very low187 Ų187138.1 Ų138.187%0.86675%0.747SS**  trans-57.1148153.3-71.5-87.3000110.7
498V29.2Very low29.6Very low123 Ų123138.1 Ų138.175%0.74574%0.742SS**  -169.9152.2123.9135.10000110.4T500V498-T500 PolarHBondContact O-N 2.87Å; V498-T500 VanDerWaalsContact O-N 3.16Å
499D25.6Very low30.3Very low142 Ų142137.1 Ų137.176%0.75973%0.732SS**  trans-55.6111.4174.1-52.7-92.4000112.2Q501D499-Q501 PolarHBondContact O-N 3.32Å
500T31.2Very low31.1Very low124 Ų124133.5 Ų133.576%0.76171%0.709SS**  trans-88.586.8168.4-56.90000109.7V498 L502V498-T500 PolarHBondContact O-N 2.87Å; V498-T500 VanDerWaalsContact O-N 3.16Å; T500-L502 HydrophobicContact CG2-CG 4.48Å; T500-L502 PolarHBondContact O-N 3.16Å
501Q26.9Very low32Very low169 Ų169131.7 Ų131.779%0.7969%0.694SS**  trans-61.5104.3160.5-64.6179.819.800108.4D499 A503D499-Q501 PolarHBondContact O-N 3.32Å; Q501-A503 PolarHBondContact O-N 3.49Å
502L28.5Very low33.1Very low149 Ų149131.5 Ų131.578%0.7868%0.684SS**  trans-72.978.5164.6-89.9169000108.8T500 Y504T500-L502 HydrophobicContact CG2-CG 4.48Å; T500-L502 PolarHBondContact O-N 3.16Å; L502-Y504 PolarHBondContact O-N 3.06Å
503A26.3Very low34.5Very low63 Ų63126 Ų12652%0.52165%0.654SS.*  trans-69.687.8-179.400000110.9Q501 N505Q501-A503 PolarHBondContact O-N 3.49Å; A503-N505 VanDerWaalsContact C-N 3.26Å; A503-N505 PolarHBondContact O-N 3.41Å
504Y27.8Very low35.5Very low208 Ų208119.6 Ų119.682%0.81662%0.623SS**  trans-64.591.9157.1-89-86.1000108.7L502 H506L502-Y504 PolarHBondContact O-N 3.06Å; Y504-H506 PolarHBondContact O-N 3.17Å
505N26.2Very low36.8Very low139 Ų139119.7 Ų119.774%0.74361%0.613SS**  trans-74.573175.9-84.6-30.3000110.9A503A503-N505 VanDerWaalsContact C-N 3.26Å; A503-N505 PolarHBondContact O-N 3.41Å
506H31.4Very low38.3Very low159 Ų159115.2 Ų115.274%0.73660%0.598SS**  trans-134.6131.5163.8-83.9-79.9000110.9Y504Y504-H506 PolarHBondContact O-N 3.17Å
507N37.6Very low39.7Very low118 Ų118110.2 Ų110.263%0.63156%0.562SS**  trans45.8109.4167.8-57-3.2000118.2D509 G510N507-D509 PolarHBondContact O-N 2.76Å; N507-D509 VanDerWaalsContact O-N 3.16Å; N507-G510 PolarHBondContact O-N 3.24Å
508E39.1Very low40.7Very low124 Ų124107 Ų10758%0.57954%0.543SS*.Hα-helixtrans-55.8-28.3169.8-78.3-71.8113.700113.1G510 K511 Q512E508-G510 VanDerWaalsContact C-N 3.31Å; E508-G510 PolarHBondContact O-N 2.99Å; E508-K511 WeakPolarHBondContact O-CA 3.42Å; E508-K511 VanDerWaalsContact O-CB 3.29Å; E508-K511 WeakPolarHBondContact O-CB 3.47Å; E508-K511 PolarHBondContact O-N 3.47Å; E508-K511 WeakPolarHBondContact OE1-CD 3.28Å; E508-K511 WeakPolarHBondContact OE1-CE 3.44Å; E508-K511 IonicContact OE1-NZ 3.58Å; E508-K511 PolarHBondContact OE1-NZ 3.36Å; E508-Q512 PolarHBondContact O-N 3.37Å; E508-Q512 VanDerWaalsContact O-N 3.13Å
509D45.2Very low41.9Very low101 Ų101107 Ų10754%0.5454%0.535SS..Hα-helixtrans-65.4-32.7-178.1-56.3-54.6000112.9N507 K511 Q512 F513N507-D509 PolarHBondContact O-N 2.76Å; N507-D509 VanDerWaalsContact O-N 3.16Å; D509-K511 VanDerWaalsContact C-N 3.27Å; D509-K511 PolarHBondContact O-N 2.82Å; D509-Q512 WeakPolarHBondContact O-CA 3.43Å; D509-Q512 WeakPolarHBondContact O-CB 3.49Å; D509-Q512 PolarHBondContact O-N 3.07Å; D509-Q512 PolarHBondContact OD1-NE2 2.81Å; D509-F513 PolarHBondContact O-N 3.33Å
510G46.2Very low43.1Very low14 Ų14104.6 Ų104.614%0.14452%0.521CS..Hα-helixtrans-62.1-35.6170.400000112.2N507 E508 Q512 F513 C514N507-G510 PolarHBondContact O-N 3.24Å; E508-G510 VanDerWaalsContact C-N 3.31Å; E508-G510 PolarHBondContact O-N 2.99Å; G510-Q512 VanDerWaalsContact C-N 3.33Å; G510-F513 PolarHBondContact O-N 3.38Å; G510-C514 WeakPolarHBondContact O-CB 3.4Å; G510-C514 PolarHBondContact O-N 2.95Å; G510-C514 PolarHBondContact O-SG 3.33Å
511K46.3Very low44Very low119 Ų119100.4 Ų100.452%0.51749%0.494SS..Hα-helixtrans-68.4-33173.2-57.5178.3-173.7167.40111.7E508 D509 K515E508-K511 WeakPolarHBondContact O-CA 3.42Å; E508-K511 VanDerWaalsContact O-CB 3.29Å; E508-K511 WeakPolarHBondContact O-CB 3.47Å; E508-K511 PolarHBondContact O-N 3.47Å; E508-K511 WeakPolarHBondContact OE1-CD 3.28Å; E508-K511 WeakPolarHBondContact OE1-CE 3.44Å; E508-K511 IonicContact OE1-NZ 3.58Å; E508-K511 PolarHBondContact OE1-NZ 3.36Å; D509-K511 VanDerWaalsContact C-N 3.27Å; D509-K511 PolarHBondContact O-N 2.82Å; K511-K515 WeakPolarHBondContact O-CB 3.37Å; K511-K515 PolarHBondContact O-N 3.26Å
512Q53.5Low44.7Very low122 Ų12297.6 Ų97.657%0.5748%0.484SS*.Hα-helixtrans-64.4-48.8173.4-58.2-164.379.800110.3E508 D509 G510 K515 V516E508-Q512 PolarHBondContact O-N 3.37Å; E508-Q512 VanDerWaalsContact O-N 3.13Å; D509-Q512 WeakPolarHBondContact O-CA 3.43Å; D509-Q512 WeakPolarHBondContact O-CB 3.49Å; D509-Q512 PolarHBondContact O-N 3.07Å; D509-Q512 PolarHBondContact OD1-NE2 2.81Å; G510-Q512 VanDerWaalsContact C-N 3.33Å; Q512-K515 CarbonylContact O-C 3.56Å; Q512-K515 PolarHBondContact O-N 3.42Å; Q512-K515 VanDerWaalsContact O-N 3.12Å; Q512-V516 WeakPolarHBondContact O-CG2 3.46Å; Q512-V516 PolarHBondContact O-N 3.32Å
513F56.9Low45.3Very low21 Ų2194.5 Ų94.59%0.09247%0.468CS..Hα-helixtrans-60.7-50.5177.2-172.8-106.6000112.4W87 W90 I91 T95 D509 G510 K515 V516 I517W87-F513 HydrophobicContact CE3-CD1 4.26Å; W87-F513 HydrophobicContact CE3-CE1 4.2Å; W87-F513 AromaticContact CZ3-CD1 3.75Å; W87-F513 HydrophobicContact CZ3-CD1 3.75Å; W87-F513 AromaticContact CZ3-CE1 3.8Å; W87-F513 HydrophobicContact CZ3-CE1 3.8Å; W90-F513 HydrophobicContact CB-CE1 4.43Å; W90-F513 HydrophobicContact CB-CZ 4.37Å; I91-F513 HydrophobicContact CD1-CD1 4.35Å; I91-F513 HydrophobicContact CG1-CB 4.25Å; I91-F513 HydrophobicContact CG1-CD1 3.56Å; I91-F513 HydrophobicContact CG1-CE1 4.15Å; I91-F513 HydrophobicContact CG1-CG 4.08Å; T95-F513 WeakPolarHBondContact O-CZ 3.41Å; D509-F513 PolarHBondContact O-N 3.33Å; G510-F513 PolarHBondContact O-N 3.38Å; F513-K515 PolarHBondContact O-N 3.11Å; F513-K515 VanDerWaalsContact O-N 3.15Å; F513-V516 PolarHBondContact O-N 3.49Å; F513-V516 VanDerWaalsContact O-N 3.15Å; F513-I517 HydrophobicContact CD1-CD1 3.96Å; F513-I517 HydrophobicContact CE1-CD1 3.43Å; F513-I517 VanDerWaalsContact CE1-CD1 3.43Å; F513-I517 HydrophobicContact CE2-CD1 4.46Å; F513-I517 HydrophobicContact CZ-CD1 3.73Å; F513-I517 PolarHBondContact O-N 3.43Å
514C53.4Low45.5Very low26 Ų2697.2 Ų97.218%0.17648%0.481CS..Hα-helixtrans-62.6-20.6174.9-63.30000113.8W87 G510 R518W87-C514 WeakPolarHBondContact CZ3-SG 3.2Å; G510-C514 WeakPolarHBondContact O-CB 3.4Å; G510-C514 PolarHBondContact O-N 2.95Å; G510-C514 PolarHBondContact O-SG 3.33Å; C514-R518 WeakPolarHBondContact O-CG 3.44Å; C514-R518 PolarHBondContact O-N 2.9Å; C514-R518 PolarHBondContact O-NE 3.23Å
515K56.4Low45.7Very low117 Ų11790.5 Ų90.551%0.50946%0.463SS..Hα-helixtrans-88.3-33.2174.8-173.8179.8177.2-172.70112.3K511 Q512 F513 R518 H519K511-K515 WeakPolarHBondContact O-CB 3.37Å; K511-K515 PolarHBondContact O-N 3.26Å; Q512-K515 CarbonylContact O-C 3.56Å; Q512-K515 PolarHBondContact O-N 3.42Å; Q512-K515 VanDerWaalsContact O-N 3.12Å; F513-K515 PolarHBondContact O-N 3.11Å; F513-K515 VanDerWaalsContact O-N 3.15Å; K515-R518 PolarHBondContact O-N 3.23Å; K515-H519 VanDerWaalsContact CE-NE2 3.29Å; K515-H519 WeakPolarHBondContact CE-NE2 3.35Å; K515-H519 WeakPolarHBondContact O-CB 3.35Å; K515-H519 PolarHBondContact O-CD2 3.12Å; K515-H519 PolarHBondContact O-N 3.08Å
516V58.6Low45.8Very low83 Ų8393.1 Ų93.150%0.50347%0.471SS..Hα-helixtrans-63.7-47.4168.8169.10000109.6Q512 F513 R518 H519 L520Q512-V516 WeakPolarHBondContact O-CG2 3.46Å; Q512-V516 PolarHBondContact O-N 3.32Å; F513-V516 PolarHBondContact O-N 3.49Å; F513-V516 VanDerWaalsContact O-N 3.15Å; V516-R518 PolarHBondContact O-N 2.63Å; V516-H519 CarbonylContact O-C 3.55Å; V516-H519 PolarHBondContact O-N 2.91Å; V516-L520 HydrophobicContact CG1-CD1 4.03Å; V516-L520 VanDerWaalsContact O-CG 3.3Å; V516-L520 WeakPolarHBondContact O-CG 3.26Å; V516-L520 PolarHBondContact O-N 3.44Å
517I58.6Low45.6Very low6 Ų691.3 Ų91.33%0.03147%0.472CS..Hα-helixtrans-56.5-46.6174.3-85.3175.7000111.7A13 W87 F100 F513 L520 L521A13-I517 VanDerWaalsContact O-CG2 3.24Å; A13-I517 WeakPolarHBondContact O-CG2 3.24Å; W87-I517 HydrophobicContact CH2-CD1 3.57Å; W87-I517 HydrophobicContact CH2-CG2 4.34Å; W87-I517 HydrophobicContact CZ2-CD1 4.38Å; W87-I517 HydrophobicContact CZ3-CD1 4.01Å; F100-I517 HydrophobicContact CE1-CG1 4.4Å; F100-I517 HydrophobicContact CE2-CG1 4.38Å; F100-I517 HydrophobicContact CE2-CG2 3.81Å; F100-I517 HydrophobicContact CZ-CB 4.21Å; F100-I517 HydrophobicContact CZ-CG1 4.09Å; F100-I517 HydrophobicContact CZ-CG2 3.8Å; F513-I517 HydrophobicContact CD1-CD1 3.96Å; F513-I517 HydrophobicContact CE1-CD1 3.43Å; F513-I517 VanDerWaalsContact CE1-CD1 3.43Å; F513-I517 HydrophobicContact CE2-CD1 4.46Å; F513-I517 HydrophobicContact CZ-CD1 3.73Å; F513-I517 PolarHBondContact O-N 3.43Å; I517-L520 WeakPolarHBondContact O-CB 2.91Å; I517-L520 PolarHBondContact O-N 3.19Å; I517-L520 VanDerWaalsContact O-N 3.11Å; I517-L521 HydrophobicContact CG2-CD1 4.16Å; I517-L521 WeakPolarHBondContact O-CG 3.5Å; I517-L521 PolarHBondContact O-N 3.36Å
518R50.9Low45.2Very low120 Ų12095.4 Ų95.445%0.45349%0.487SS..Hα-helixtrans-67.8-39.4176.3-76.6178.9-66.2136.7-6113.5C514 K515 V516 L520 L521 D522C514-R518 WeakPolarHBondContact O-CG 3.44Å; C514-R518 PolarHBondContact O-N 2.9Å; C514-R518 PolarHBondContact O-NE 3.23Å; K515-R518 PolarHBondContact O-N 3.23Å; V516-R518 PolarHBondContact O-N 2.63Å; R518-L520 PolarHBondContact O-N 3.13Å; R518-L520 VanDerWaalsContact O-N 3.11Å; R518-L521 CarbonylContact O-C 3.58Å; R518-L521 WeakPolarHBondContact O-CA 3.2Å; R518-L521 PolarHBondContact O-N 3.37Å; R518-D522 WeakPolarHBondContact O-CB 3.38Å; R518-D522 PolarHBondContact O-N 3.06Å
519H53.1Low44.7Very low124 Ų12495.3 Ų95.357%0.57450%0.5SS*.Hα-helixtrans-64.6-11.4170.3-83.5-53.6000114.5K515 V516K515-H519 VanDerWaalsContact CE-NE2 3.29Å; K515-H519 WeakPolarHBondContact CE-NE2 3.35Å; K515-H519 WeakPolarHBondContact O-CB 3.35Å; K515-H519 PolarHBondContact O-CD2 3.12Å; K515-H519 PolarHBondContact O-N 3.08Å; V516-H519 CarbonylContact O-C 3.55Å; V516-H519 PolarHBondContact O-N 2.91Å
520L51.6Low43.9Very low90 Ų9098.6 Ų98.647%0.47152%0.516SS..THydrogen-bonded Turntrans-95.7-4.6170.9-68.4169000113.2F100 N101 V516 I517 R518F100-L520 HydrophobicContact CE1-CB 4.03Å; F100-L520 HydrophobicContact CE1-CD1 4.26Å; F100-L520 HydrophobicContact CZ-CB 4.4Å; N101-L520 PolarHBondContact ND2-O 3.04Å; V516-L520 HydrophobicContact CG1-CD1 4.03Å; V516-L520 VanDerWaalsContact O-CG 3.3Å; V516-L520 WeakPolarHBondContact O-CG 3.26Å; V516-L520 PolarHBondContact O-N 3.44Å; I517-L520 WeakPolarHBondContact O-CB 2.91Å; I517-L520 PolarHBondContact O-N 3.19Å; I517-L520 VanDerWaalsContact O-N 3.11Å; R518-L520 PolarHBondContact O-N 3.13Å; R518-L520 VanDerWaalsContact O-N 3.11Å
521L48.9Very low43.2Very low37 Ų37103.3 Ų103.319%0.19454%0.544CS..THydrogen-bonded Turntrans-107.9-35.7174.3-64.7165000111.3T14 F100 I517 R518 D523T14-L521 HydrophobicContact CG2-CD1 3.69Å; F100-L521 HydrophobicContact CE2-CD1 4.14Å; F100-L521 HydrophobicContact CE2-CD2 4.15Å; F100-L521 HydrophobicContact CE2-CG 4.27Å; F100-L521 HydrophobicContact CZ-CD1 4.14Å; F100-L521 HydrophobicContact CZ-CD2 4.02Å; F100-L521 HydrophobicContact CZ-CG 3.89Å; I517-L521 HydrophobicContact CG2-CD1 4.16Å; I517-L521 WeakPolarHBondContact O-CG 3.5Å; I517-L521 PolarHBondContact O-N 3.36Å; R518-L521 CarbonylContact O-C 3.58Å; R518-L521 WeakPolarHBondContact O-CA 3.2Å; R518-L521 PolarHBondContact O-N 3.37Å; L521-D523 VanDerWaalsContact C-N 3.25Å; L521-D523 PolarHBondContact O-N 2.78Å
522D42.2Very low42.3Very low110 Ų110107.1 Ų107.159%0.58856%0.561SS**SBendtrans-77.170.8177.3-64.6-34000111.4R518R518-D522 WeakPolarHBondContact O-CB 3.38Å; R518-D522 PolarHBondContact O-N 3.06Å
523D40.6Very low41.3Very low83 Ų83106.9 Ų106.944%0.44457%0.572SS.*  trans53.3115.9149.4-130.6-7000119.9L521 C525L521-D523 VanDerWaalsContact C-N 3.25Å; L521-D523 PolarHBondContact O-N 2.78Å; D523-C525 HydrophobicContact CB-CB 4.24Å; D523-C525 PolarHBondContact O-N 3.43Å; D523-C525 PolarHBondContact OD1-SG 2.92Å; D523-C525 PolarHBondContact OD2-SG 2.99Å
524P31.4Very low40.3Very low120 Ų120112.4 Ų112.478%0.77960%0.603SS**  trans-78.339.5161.336.6-35.4000111.9
525C32.2Very low39.2Very low67 Ų67117.6 Ų117.645%0.45363%0.629SS.*  trans-83.4147.8171-80.10000110.5D523D523-C525 HydrophobicContact CB-CB 4.24Å; D523-C525 PolarHBondContact O-N 3.43Å; D523-C525 PolarHBondContact OD1-SG 2.92Å; D523-C525 PolarHBondContact OD2-SG 2.99Å
526E28.1Very low38.1Very low194 Ų194120 Ų12091%0.90765%0.646SS**SBendtrans65.540.9176.9-54.1-159.5160.400119.3
527T26.1Very low36.7Very low122 Ų122124.7 Ų124.775%0.74866%0.659SS**  trans-138.181.9155.248.90000115.2
528H29.6Very low35.6Very low204 Ų204133.9 Ų133.994%0.94470%0.702SS**  trans-136102.9154.3-91-56.3000111.3
529S28.4Very low34.5Very low122 Ų122133 Ų13385%0.85371%0.714SS**PPolyproline II helixtrans-80.3137.6-17746.90000113.4
530L28.9Very low33.5Very low170 Ų170133.8 Ų133.889%0.8973%0.728SS**PPolyproline II helixtrans-74.8154.6159.8-77.2165.2000110.4
531P31.2Very low32.3Very low112 Ų112139.9 Ų139.973%0.72774%0.744SS**PPolyproline II helixtrans-90.5129.6-160.632.9-35.7000116.4
532K27.7Very low31.2Very low200 Ų200143.2 Ų143.287%0.8777%0.769SS**  trans42.3107.4141-61.4-178178.8179.50120.2
533S33.2Very low30.8Very low116 Ų116147.2 Ų147.281%0.81178%0.781SS**  trans171.1150.9132370000110.4
534D34.4Very low30.1Very low137 Ų137154.8 Ų154.873%0.73380%0.804SS**  cis-161.7123.6-32.6-135.4-31.4000110.1
535N31.7Very low30.1Very low136 Ų136159.3 Ų159.373%0.72781%0.811SS**  trans63.8166.4174.1-49.3-80.3000115.3
536I33.7Very low29.8Very low167 Ų167162 Ų16286%0.85683%0.825SS**  cis-132.2168.916.7-71.6173.9000111
537K28.6Very low30.1Very low181 Ų181160.7 Ų160.779%0.78782%0.823SS**  trans-99.2144.5-170.6-51.3160-176.4168.70114.2
538Q34.3Very low30.2Very low199 Ų199160.6 Ų160.693%0.9382%0.822SS**  trans170158.6135.8-95.2162.848.500111
539S27.9Very low30.3Very low101 Ų101156 Ų15671%0.70681%0.814SS**  cis164.769-47173.10000111.9
540V32.9Very low30.4Very low142 Ų142156.6 Ų156.686%0.86181%0.807SS**  trans-153.3133.4164.6-175.30000108.6
541R26.6Very low30.5Very low218 Ų218156.7 Ų156.782%0.82380%0.8SS**  cis104.3110.9-8.5-153.5176.9-172.1179.93119
542C26.6Very low30.4Very low106 Ų106161.8 Ų161.872%0.71681%0.811SS**  trans72.6152.3169.8-72.80000117.1
543K32.3Very low30.4Very low194 Ų194159.7 Ų159.784%0.84381%0.808SS**  cis-154.2158.96.6-126.6158.9-169.4174.80112
544R26.9Very low30.1Very low243 Ų243160.1 Ų160.192%0.91781%0.807SS**  trans-67.7151.9174.6-76.5176.6167.6163.5-6.4113.8
545K32Very low29.7Very low215 Ų215160.5 Ų160.594%0.93581%0.808SS**  -156.7158.8126.5-117.5178.8-179.7-175.10112.6
546T25.7Very low29.4Very low122 Ų122160.9 Ų160.975%0.74881%0.81SS**  trans-103.3151.4-167.8-380000112.2
547I32.9Very low29.1Very low167 Ų167162.7 Ų162.786%0.85681%0.807SS**  trans-161.6159.8140.5-102.7152.1000109.4
548T29.6Very low29Very low120 Ų120158.7 Ų158.774%0.73680%0.8SS**  trans-99.6135.5-167.748.70000114.3
549S31.4Very low28.7Very low109 Ų109157.4 Ų157.476%0.76280%0.798SS**  175.2138.3124.753.80000113.3
550D29.9Very low28.9Very low133 Ų133159.8 Ų159.871%0.71180%0.801SS**  trans50.6143.3147.3-74.823.2000124.9
551K31.9Very low28.6Very low173 Ų173158.9 Ų158.975%0.75279%0.791SS**  trans68.770.1149.4-69160.4-171.5162.90118.3L553K551-L553 PolarHBondContact O-N 3.3Å
552K27.5Very low28.9Very low218 Ų218155.3 Ų155.395%0.94879%0.788SS**  41.575.5118.2-164.3178.4-175.5177.40115.6
553L28.2Very low29.1Very low156 Ų156159.2 Ų159.282%0.81779%0.789SS**  trans-114.8132.5165.3-99.5165.7000110.6K551K551-L553 PolarHBondContact O-N 3.3Å
554T26.5Very low29.1Very low126 Ų126155.3 Ų155.377%0.77378%0.784SS**  trans-70134.1171.444.40000110.6
555L26.1Very low29.2Very low145 Ų145148.7 Ų148.776%0.75977%0.774SS**  trans-109.599.8-177.4-109.7154.1000111Y557L555-Y557 HydrophobicContact CD2-CD2 3.81Å; L555-Y557 HydrophobicContact CD2-CE2 3.55Å
556N25.7Very low29.2Very low143 Ų143146.1 Ų146.177%0.76577%0.77SS**  trans-77148.7162.3-64.6-22.9000109.8
557Y26.9Very low29.2Very low205 Ų205148 Ų14880%0.80477%0.77SS**  trans-166.8149.8152.6-87.1-58.3000109.4L555L555-Y557 HydrophobicContact CD2-CD2 3.81Å; L555-Y557 HydrophobicContact CD2-CE2 3.55Å
558P27.2Very low28.8Very low97 Ų97144.8 Ų144.863%0.6376%0.762SS**  cis-128163.1-46.621.1-1000112.9
559I28.6Very low28.7Very low173 Ų173144.4 Ų144.489%0.88777%0.765SS**  trans-122.3141.5142.6-63.7-179000105.7
560I30.8Very low28.4Very low150 Ų150143.9 Ų143.977%0.76976%0.761SS**  trans-98.3146.9-171.3-67.4173000110.1
561D27.5Very low28.2Very low124 Ų124142 Ų14266%0.66376%0.759SS**  trans-74.4158.6-178-49.8-92.2000114.3Y563D561-Y563 HydrophobicContact CB-CD2 4.35Å; D561-Y563 HydrophobicContact CB-CE2 4.49Å
562D33.3Very low28.1Very low142 Ų142141.7 Ų141.776%0.75976%0.759SS**  -173.9107.7124.3-92-25.3000108.2
563Y29.4Very low28.1Very low189 Ų189136.6 Ų136.674%0.74174%0.742SS**  71146.384.3-85.3-73.5000114.9D561D561-Y563 HydrophobicContact CB-CD2 4.35Å; D561-Y563 HydrophobicContact CB-CE2 4.49Å
564P33.2Very low28.1Very low112 Ų112136.3 Ų136.373%0.72774%0.737SS**  cis-129.6171.2-2.541.5-26.1000115.8
565S28.5Very low28.4Very low103 Ų103138.4 Ų138.472%0.7274%0.738SS**  trans-115.1130.8172.157.80000112.9
566L31.4Very low28.6Very low161 Ų161137.9 Ų137.984%0.84374%0.735SS**  trans-140.1117.4164.8-70.2176000107.6
567H26.8Very low28.9Very low163 Ų163136 Ų13676%0.75573%0.733SS**  91.4103.167.6-103-87.9000115
568S24.6Very low28.9Very low98 Ų98136.9 Ų136.969%0.68574%0.735SS**  trans70.9154.6140.662.80000122
569S26.7Very low29.1Very low112 Ų112139.3 Ų139.378%0.78374%0.743SS**  trans67.3154.8167.370.70000118.1
570S25.1Very low29Very low98 Ų98135.8 Ų135.869%0.68573%0.733SS**  cis-173.2177.1-4452.70000108.4
571S26.5Very low29Very low95 Ų95134 Ų13466%0.66473%0.734SS**  trans58.5114.1147.154.20000121.3
572H28.6Very low29Very low166 Ų166133.6 Ų133.677%0.76974%0.741SS**  trans69.7118134-80.5-53.7000123.2
573D27.7Very low28.8Very low110 Ų110132.2 Ų132.259%0.58874%0.743SS**  71.7125.4121.5-71.638.7000124.3
574Q28.6Very low29.2Very low151 Ų151128.2 Ų128.271%0.70674%0.74SS**  trans55.4103.4133.5-57.5-178.764.500119.2
575H33.4Very low28.8Very low170 Ų170133 Ų13379%0.78775%0.745SS**  -170.9173.3103.7-107.5-74.8000113.5
576D29.6Very low28.7Very low133 Ų133133.3 Ų133.371%0.71174%0.742SS**  trans-53147.5-173.6-50.6-98.1000115.2
577S31.6Very low28.5Very low103 Ų103130.3 Ų130.372%0.7274%0.735SS**  177.3142.963.942.40000115.1
578R28.5Very low28.8Very low225 Ų225127.5 Ų127.585%0.84973%0.734SS**  trans40.6103.9141.5-59177.3-177.4165.81.6120
579N29.7Very low28.9Very low148 Ų148131.2 Ų131.279%0.79175%0.745SS**  -179.8126.195.6-91-24000115.8
580S28.1Very low29.1Very low98 Ų98130.7 Ų130.769%0.68574%0.741SS**  trans63.4106.5137-52.10000123.2
581S29.4Very low29.4Very low112 Ų112131.3 Ų131.378%0.78375%0.746SS**  trans67.9157.9134.763.70000121.6
582S28Very low29.8Very low116 Ų116131 Ų13181%0.81175%0.749SS**  173.4132.7-54.7490000110.5
583S29Very low29.9Very low113 Ų113130 Ų13079%0.7975%0.749SS**  trans-92.7168.5154-166.60000108.5
584P38Very low30.1Very low106 Ų106135.4 Ų135.469%0.68876%0.761SS**  cis-127-159.4-11.728.8-5000112.1
585Y25.3Very low30.3Very low211 Ų211133.8 Ų133.883%0.82777%0.767SS**  trans67110.3144.6-126-109.8000120.9
586V26.2Very low30.8Very low110 Ų110130.7 Ų130.767%0.66776%0.761SS**  trans63.5125.9135.8176.80000120.9
587S28.2Very low30.9Very low98 Ų98131.6 Ų131.669%0.68577%0.767SS**  trans84.699.8151.7-77.10000122.8
588S31.1Very low31Very low104 Ų104130.8 Ų130.873%0.72776%0.761SS**  99.9156.3108.1-64.90000121.9
589L28.7Very low31.3Very low176 Ų176128 Ų12892%0.92176%0.758SS**  trans78.1149.6171.9-52.5177000115.7
590S29.9Very low31.4Very low101 Ų101127.3 Ų127.371%0.70675%0.752SS**  cis-149.4160.76.870.60000113.2
591S32.1Very low31.6Very low112 Ų112129.1 Ų129.178%0.78375%0.754SS**  173.9137.5122.1-81.60000114.2
592A33.4Very low31.6Very low89 Ų89132.3 Ų132.374%0.73676%0.757SS**  trans64.6134.2168.700000118.5
593N30.7Very low31.8Very low143 Ų143133.8 Ų133.877%0.76575%0.754SS**  cis-163.4147.8-7.3-119.3-33.1000113.4
594R31.7Very low31.9Very low225 Ų225133.5 Ų133.585%0.84975%0.748SS**  trans69.296.3157.6-61.3179.4177.6-130-1.9122.2
595S34.6Very low31.9Very low117 Ų117132.8 Ų132.882%0.81874%0.743SS**  17.8163.1108.4-57.70000122.6
596P42.2Very low32.2Very low104 Ų104126.9 Ų126.968%0.67573%0.733SS**  cis-143.6-167.5-2138.6-17.7000116.3
597N32.1Very low32.4Very low153 Ų153127.9 Ų127.982%0.81873%0.734SS**  trans78.8148.5153.3-74.74.7000119.6
598S35.2Very low32.5Very low86 Ų86128.6 Ų128.660%0.60173%0.73SS**  cis-165.4147.82.639.30000114.4
599Q34.7Very low32.5Very low167 Ų167128.4 Ų128.478%0.7873%0.728SS**  trans64.9162.5146.4-70171.4-28.600117.6
600I31.4Very low32.7Very low132 Ų132127.3 Ų127.368%0.67772%0.723SS**  cis-159.1158.3-11.4-114.4159.4000106.6
601D31.6Very low32.8Very low137 Ų137128 Ų12873%0.73372%0.723SS**  cis-168.1163.2-42.5-91.8-17.1000109.3
602E29.4Very low32.7Very low179 Ų179129.4 Ų129.484%0.83672%0.715SS**  trans37.5138.7144.7-131.6174.4-130.800122.2
603I31.7Very low32.6Very low147 Ų147131.1 Ų131.175%0.75470%0.703SS**  -168.8160.870.6-79.7173000112.2
604T32.9Very low32.6Very low106 Ų106128.3 Ų128.365%0.6570%0.695SS**  trans-140.1-175.2178.9380000111.6P850T604-P850 HydrophobicContact CG2-CG 3.84Å
605P36.8Very low32.6Very low91 Ų91121.8 Ų121.859%0.59168%0.677SS**  cis-137.3-159.12.140.4-18.5000115.8
606S32.1Very low32.5Very low88 Ų88122.5 Ų122.562%0.61567%0.67SS**  trans84.4158.2149.484.50000120
607L29.4Very low31.9Very low131 Ų131120.6 Ų120.669%0.68667%0.67SS**  cis-158.2165.10.6-126.4159.5000111.8
608N31.9Very low31.9Very low113 Ų113117 Ų11760%0.60465%0.65SS**  trans6.5158.2160.7-79.2-5.1000123.7K848N608-K848 PolarHBondContact OD1-NZ 3.42Å
609S30.4Very low31.7Very low99 Ų99118.6 Ų118.669%0.69265%0.646SS**  cis-163.2-161.63.745.50000109.2
610L32Very low31.5Very low154 Ų154112.6 Ų112.681%0.80662%0.623SS**  cis-152.5-147.39.9-159.676.8000110.7
611T31.9Very low31.7Very low115 Ų115111.9 Ų111.971%0.70663%0.625SS**  trans-153.7177.5-170.752.40000115
612K31.3Very low31.6Very low141 Ų141113 Ų11361%0.61363%0.625SS**  trans104.1147.8160-55.1-166.4-171.2-179.20118.1N838K612-N838 WeakPolarHBondContact CE-OD1 3.18Å; K612-N838 PolarHBondContact NZ-ND2 2.97Å; K612-N838 PolarHBondContact NZ-OD1 2.84Å
613Y31.3Very low31.8Very low125 Ų125108.6 Ų108.649%0.4961%0.614SS.*  cis-159.2164.9-8-132.6-131.1000113.5D836 N838Y613-D836 WeakPolarHBondContact CD1-OD1 3.34Å; Y613-N838 PolarHBondContact OH-N 2.84Å; Y613-N838 PolarHBondContact OH-OD1 3.04Å
614S31Very low32.1Very low85 Ų85107.7 Ų107.759%0.59462%0.618SS**  trans58.8176.7156.1590000118.8
615D31.4Very low31.9Very low88 Ų88109.6 Ų109.647%0.47162%0.624SS.*  cis-148.2-176.95.7-153.81000114S835D615-S835 PolarHBondContact OD2-N 3.24Å
616L31.5Very low31.6Very low131 Ų131113.3 Ų113.369%0.68664%0.638SS**  trans-81170.5-173.7-64.7160.2000115.8
617G30.6Very low31.3Very low64 Ų64113.8 Ų113.866%0.6664%0.642SS**  cis148.3171.58.500000109
618L31.5Very low31.1Very low79 Ų79115.3 Ų115.341%0.41465%0.649SS.*  cis-159.4175.8-5.4-50.488.7000107.3
619K31.5Very low30.9Very low118 Ų118116.2 Ų116.251%0.51366%0.658SS.*  trans157.1155.2143.3-83.9169.2-162.9-112.90115.6E828 N830 T831K619-E828 CarbonylContact C-O 3.57Å; K619-E828 WeakPolarHBondContact CA-O 3.3Å; K619-E828 PolarHBondContact N-O 2.82Å; K619-N830 WeakPolarHBondContact CD-OD1 3.28Å; K619-N830 WeakPolarHBondContact CE-OD1 3.33Å; K619-N830 PolarHBondContact NZ-OD1 3.36Å; K619-T831 PolarHBondContact NZ-OG1 3.06Å
620S31.2Very low31Very low42 Ų42116.9 Ų116.929%0.29466%0.66SS.*  trans-153-171.5-179.383.70000113.5E828 S829S620-E828 PolarHBondContact N-O 2.83Å; S620-E828 WeakPolarHBondContact OG-CA 3.22Å; S620-E828 PolarHBondContact OG-N 3.21Å; S620-S829 VanDerWaalsContact N-CB 3.34Å; S620-S829 VanDerWaalsContact O-CB 3.22Å; S620-S829 WeakPolarHBondContact O-CB 3.44Å; S620-S829 PolarHBondContact O-OG 2.84Å; S620-S829 PolarHBondContact OG-N 2.96Å; S620-S829 PolarHBondContact OG-OG 2.88Å
621V34.2Very low30.9Very low117 Ų117119.3 Ų119.371%0.70967%0.667SS**  trans178.3150.6153.7136.60000108.8
622Q29.8Very low30.7Very low160 Ų160119.4 Ų119.475%0.74866%0.663SS**  cis-167.6169.7-37.8-150.5175.2-34.100109.3
623S34.2Very low30.7Very low87 Ų87120.5 Ų120.561%0.60867%0.668SS**  trans-145.5-178.5176.860.50000112
624P37Very low30.6Very low127 Ų127122.2 Ų122.283%0.82569%0.685SS**  trans-131.8125.915635.5-21000115
625D29.8Very low30.6Very low147 Ų147122.1 Ų122.179%0.78669%0.689SS**  trans-91.7175.8160.8-69.9-68.1000111.4
626L29.5Very low30.6Very low168 Ų168126.7 Ų126.788%0.8871%0.705SS**  trans167.6148.1153.3-90159.4000108.1
627S25.7Very low30.6Very low99 Ų99125.9 Ų125.969%0.69270%0.701SS**  cis-165.9175.3-26.354.70000109.3
628I25.9Very low30.5Very low163 Ų163130.1 Ų130.184%0.83670%0.704SS**  trans-112.1134.3-175.4-61.4171.2000111.5
629V27.8Very low30.5Very low132 Ų132133.8 Ų133.880%0.872%0.719SS**  trans-143.4136.7165-173.40000109.6
630P32.6Very low30.3Very low113 Ų113135.8 Ų135.873%0.73473%0.73SS**  trans-110.9146.5178.838.1-29.9000114.2
631E28.8Very low30.3Very low204 Ų204140.4 Ų140.495%0.95375%0.751SS**  trans-159.3-167.6153.4-126.4173.6-161.600113.4
632D28.7Very low30.2Very low117 Ų117139.3 Ų139.363%0.62675%0.749SS**  trans-107.4152.7-131-141-0000118.1
633K30.9Very low30.1Very low165 Ų165140 Ų14072%0.71775%0.746SS**  trans73.6143.2145.1-82.7157.8-170146.20126.4
634L28.7Very low29.7Very low160 Ų160145 Ų14584%0.83876%0.759SS**  trans88.4106.2147.7-101.978.6000123.7
635A31.5Very low29.3Very low83 Ų83145.7 Ų145.769%0.68675%0.754SS**  76.696.912500000123.6
636K31.7Very low29Very low185 Ų185149.5 Ų149.580%0.80476%0.758SS**  84.9127.6121.5-80.5-165.1162.3-153.80124
637D30.3Very low29Very low113 Ų113148 Ų14860%0.60475%0.749SS**  trans90.9120.2133.1-62.8-1.5000123.2
638Q29.7Very low29Very low153 Ų153151.6 Ų151.672%0.71575%0.753SS**  trans84.6170.7152.1-66.8-17334.800121.7
639H30.3Very low29.1Very low157 Ų157153.3 Ų153.373%0.72775%0.754SS**  trans-28.4147.3-156.1-79.5-95.5000122.4
640E28.7Very low29Very low159 Ų159155.7 Ų155.774%0.74375%0.754SS**  trans-167.1152.8138.1-101.8-87.8110.100108.4
641D31.1Very low28.9Very low139 Ų139158.6 Ų158.674%0.74376%0.761SS**  trans-93.5-171.7-179.2-85.5-58.7000113
642S31.3Very low28.8Very low94 Ų94152.8 Ų152.866%0.65774%0.743SS**  trans103.8173.1131.2-159.60000120.4
643Y27Very low28.8Very low175 Ų175155.2 Ų155.269%0.68676%0.756SS**  trans81.4102.3164.8-49.4-66.3000120.3
644H27.5Very low28.7Very low191 Ų191152.9 Ų152.988%0.88476%0.761SS**  trans-123.281.2145.4-10639.8000112
645I26.9Very low28.9Very low142 Ų142150.4 Ų150.473%0.72876%0.757SS**  trans22.9110.1141.4-50.3177.1000116.4I647I645-I647 HydrophobicContact CG2-CG1 3.86Å
646R25.6Very low28.8Very low227 Ų227152 Ų15286%0.85775%0.754SS**  trans-104.390.4170.6-164179.5-159.9166.77.8110.4K648R646-K648 PolarHBondContact O-N 3.35Å; R646-K648 VanDerWaalsContact O-N 3.12Å
647I27.6Very low28.7Very low138 Ų138147.5 Ų147.571%0.70875%0.746SS**  trans-62.9113.9-179.6-56.1-180000109.9I645 F649I645-I647 HydrophobicContact CG2-CG1 3.86Å; I647-F649 HydrophobicContact CG2-CE2 4.49Å
648K27.3Very low28.7Very low174 Ų174145.8 Ų145.876%0.75773%0.734SS**  trans-106.4115.1166-81.1-173.7173.8-178.60109.1R646 K650R646-K648 PolarHBondContact O-N 3.35Å; R646-K648 VanDerWaalsContact O-N 3.12Å; K648-K650 PolarHBondContact O-N 2.8Å
649F27.1Very low28.8Very low199 Ų199145.3 Ų145.387%0.87374%0.736SS**  trans-62.9127157.7-76.6-87.8000108.6I647I647-F649 HydrophobicContact CG2-CE2 4.49Å
650K26.5Very low28.8Very low182 Ų182146.1 Ų146.179%0.79174%0.74SS**  trans-136.279.3-179-168.7-172.7-179.1-170.20109.5K648 S652K648-K650 PolarHBondContact O-N 2.8Å; K650-S652 PolarHBondContact O-N 2.85Å
651I30.2Very low29Very low173 Ų173143.8 Ų143.889%0.88774%0.739SS**  trans-79.1111.4163.2-60.5178000106.4
652S25.8Very low28.8Very low82 Ų82144.2 Ų144.257%0.57375%0.746SS**  trans-98.2140.5-179.450.60000111.6K650K650-S652 PolarHBondContact O-N 2.85Å
653N29.9Very low28.5Very low169 Ų169144.6 Ų144.690%0.90475%0.749SS**  trans-157143.7135-93.6-23.7000110
654S28.7Very low28.6Very low116 Ų116142.7 Ų142.781%0.81176%0.755SS**  trans-90.4175.4179.549.80000110.5
655S31.7Very low28.6Very low108 Ų108143.2 Ų143.276%0.75576%0.755SS**  cis-157.4-178.730.553.90000114.6
656N30.1Very low28.7Very low115 Ų115144.3 Ų144.362%0.61576%0.76SS**  trans-98.9162.4-170.3-57.9-0.6000114.3E1310N656-E1310 PolarHBondContact ND2-O 2.95Å
657S30.4Very low28.8Very low91 Ų91142.8 Ų142.864%0.63676%0.76SS**  -169.9161.6125.6530000114.1N1311 N1312S657-N1311 CarbonylContact C-O 3.58Å; S657-N1311 VanDerWaalsContact C-O 3.24Å; S657-N1311 VanDerWaalsContact CA-O 3.3Å; S657-N1311 WeakPolarHBondContact CA-O 3.37Å; S657-N1312 PolarHBondContact N-O 2.89Å; S657-N1312 CarbonylContact O-C 3.56Å; S657-N1312 VanDerWaalsContact O-CA 3.23Å; S657-N1312 WeakPolarHBondContact O-CA 3.36Å; S657-N1312 WeakPolarHBondContact O-CB 3.23Å; S657-N1312 PolarHBondContact O-N 2.87Å; S657-N1312 VanDerWaalsContact O-O 3.05Å
658Q30.3Very low29.4Very low77 Ų77141 Ų14136%0.3676%0.758SS.*  trans-88.7162.1-162.2-60.4-175.7-98.200116.9E1310 N1311Q658-E1310 HydrophobicContact CG-CB 4.38Å; Q658-E1310 PolarHBondContact NE2-OE1 3.07Å; Q658-E1310 PolarHBondContact OE1-OE2 3.4Å; Q658-N1311 HydrophobicContact CG-CB 4.26Å; Q658-N1311 WeakPolarHBondContact CG-O 3.21Å; Q658-N1311 PolarHBondContact N-O 3.48Å
659N30.1Very low29.6Very low144 Ų144138.8 Ų138.877%0.7776%0.761SS**  -177.9175.3118.1-99.2-60000115.2
660H30.4Very low29.7Very low174 Ų174139.5 Ų139.581%0.80676%0.759SS**  trans-92.9171.7-168.4-107.1-109.3000115.6
661P34.3Very low29.8Very low110 Ų110137.6 Ų137.671%0.71476%0.758SS**  trans-99.6152.1-159.137.7-35.9000117
662V26.5Very low29.7Very low148 Ų148133.4 Ų133.490%0.89774%0.743SS**  trans-138.9150.5163.2178.90000110.3
663S25Very low29.9Very low102 Ų102135.8 Ų135.871%0.71375%0.749SS**  trans-88.6147.9-175.358.50000115.6
664V28.3Very low29.8Very low135 Ų135134 Ų13482%0.81874%0.74SS**  trans-144.2143.6140.9173.50000109.8I666V664-I666 HydrophobicContact CG1-CG1 4.46Å
665K27.5Very low29.8Very low201 Ų201136.3 Ų136.387%0.87474%0.739SS**  trans-105.3139.1168.7-62.9169.9-179.6167.70110.1
666I29.9Very low29.6Very low165 Ų165135.1 Ų135.185%0.84673%0.731SS**  trans-134.4147.2153-61.4-174.7000108.5V664V664-I666 HydrophobicContact CG1-CG1 4.46Å
667K28.1Very low29.4Very low195 Ų195135.5 Ų135.585%0.84873%0.733SS**  trans-104.8160.7-176-101-171172.2-173.20112.3
668P38.6Very low29.1Very low102 Ų102141.2 Ų141.266%0.66274%0.741SS**  trans-86.4165178.337-36.8000113.4
669P31.8Very low28.9Very low126 Ų126143.9 Ų143.982%0.81876%0.757SS**  trans-81.1173162.735.4-34000112.6
670Y29Very low28.7Very low215 Ų215143.4 Ų143.484%0.84375%0.754SS**  trans-124.7-175.8-173.7-105-101.8000110.9
671N29.5Very low28.4Very low142 Ų142140 Ų14076%0.75975%0.75SS**  trans79.2153.6160.2-73.410.4000117.4
672C27.7Very low28Very low85 Ų85142 Ų14257%0.57475%0.754SS**  cis-148.21573.5-128.60000112.2
673D29.6Very low28Very low132 Ų132142.2 Ų142.271%0.70675%0.745SS**  trans50.4160.5142.8-70.9-35.6000122.1
674N27.8Very low28Very low132 Ų132144 Ų14471%0.70675%0.746SS**  cis164.3173.1-26.2-130.5-45.2000104.7
675M29.5Very low27.8Very low163 Ų163142 Ų14280%0.80374%0.739SS**  trans69.4151.2173.2-60.5-67.317800117
676S26.6Very low27.7Very low84 Ų84139.3 Ų139.359%0.58773%0.734SS**  cis-175156.7-35.8-112.30000110.7
677N26.1Very low27.7Very low122 Ų122138.8 Ų138.865%0.65273%0.733SS**  trans69.6129.9163-67.2-51.3000116.7
678R25.6Very low27.5Very low212 Ų212140 Ų14080%0.873%0.732SS**  67.3149.492.5-55.8175.5-172.6-128.92.8113.6
679L26Very low26.9Very low132 Ų132140.7 Ų140.769%0.69174%0.738SS**  cis-144.1179.422.2-118.1118.6000112.2
680N25.4Very low26.6Very low135 Ų135141.2 Ų141.272%0.72273%0.734SS**  trans-30.5158.7158.1-46.12.9000114.7
681S24.8Very low26.5Very low102 Ų102135.6 Ų135.671%0.71372%0.722SS**  cis-156.3163.648.6-65.20000111.1
682L25.7Very low26.3Very low152 Ų152135.8 Ų135.880%0.79672%0.723SS**  44127.877.3-116.274000111.5
683E25.7Very low26.4Very low153 Ų153136.6 Ų136.672%0.71573%0.725SS**  cis-152174.336.4-63.3-173.7119.200114.6
684N24.6Very low26.4Very low138 Ų138137.7 Ų137.774%0.73873%0.728SS**  trans10.7150.2130.8-55-36.8000118.9
685S25.3Very low26.6Very low94 Ų94136.9 Ų136.966%0.65772%0.724SS**  cis-168.8176.710.632.30000109.5
686N25Very low26.8Very low144 Ų144137 Ų13777%0.7772%0.722SS**  trans37.8128.5149.4-53.9-12.1000118.3
687D29.2Very low27.1Very low154 Ų154139 Ų13982%0.82473%0.727SS**  -153179.660.3-124.9-40.6000115.9
688R24.4Very low27.5Very low220 Ų220142.2 Ų142.283%0.8374%0.737SS**  trans-89.3178.9176.7-71.9178.8169175.8-3.2112.9
689C25.3Very low28Very low117 Ų117136.8 Ų136.879%0.79173%0.729SS**  trans81.5138.3164.4-53.80000115.8
690D25.7Very low28.2Very low137 Ų137137 Ų13773%0.73373%0.731SS**  cis-159.4168.5-27.8-141.1-31.1000110.2
691T26.3Very low28.8Very low97 Ų97135.7 Ų135.760%0.59572%0.724SS**  trans44.1117.2154.8580000121.2
692N26.9Very low29.3Very low146 Ų146136.1 Ų136.178%0.78172%0.722SS**  63.2147.7115.9-57.3-24.2000120.1
693V29.8Very low29.8Very low102 Ų102131.9 Ų131.962%0.61871%0.709SS**  cis-172141.30.7113.90000110.6
694M29.6Very low30.3Very low156 Ų156130.5 Ų130.577%0.76871%0.707SS**  trans60.7165.8150.7-65.9178.5-161.100118.5
695N32Very low30.9Very low115 Ų115130.4 Ų130.462%0.61570%0.696SS**  cis-154.2170-10.8-120.510.5000109.1
696E32.4Very low31.4Very low165 Ų165136.3 Ų136.377%0.77170%0.704SS**  -176.9156115.4-95.2-51.710900112.4
697D33.3Very low32Very low127 Ų127134.9 Ų134.968%0.67970%0.695SS**  trans-68156.1-162-79.7-15.3000117.1
698H34.5Very low32.1Very low189 Ų189133 Ų13388%0.87569%0.689SS**  -158.1159.6123.3-108.761.6000112.4
699P35Very low32.5Very low97 Ų97131.2 Ų131.263%0.6368%0.682SS**  trans-106.4172.5-152.840.3-37.4000117.1
700N31.9Very low32.8Very low136 Ų136135.1 Ų135.173%0.72769%0.686SS**  trans63.197.3154-66.1-27.2000120.3
701N36.6Very low32.9Very low109 Ų109134.3 Ų134.358%0.58369%0.69SS**  -141.4148.3126-148-52.2000112.4A703 R705N701-A703 PolarHBondContact OD1-N 2.97Å; N701-R705 PolarHBondContact O-NE 3.42Å; N701-R705 PolarHBondContact O-NH2 2.98Å
702V35.9Very low32.9Very low110 Ų110140.7 Ų140.767%0.66770%0.703SS**SBendtrans-101.3-29.5-175.6178.50000111.9N704 R705V702-N704 PolarHBondContact O-N 2.71Å; V702-R705 PolarHBondContact O-N 2.92Å; V702-R705 VanDerWaalsContact O-N 3.14Å
703A36.3Very low33.1Very low64 Ų64142.9 Ų142.953%0.52971%0.708SS.*THydrogen-bonded Turntrans-55.9-49-175.800000113.1N701 R705 R706N701-A703 PolarHBondContact OD1-N 2.97Å; A703-R705 PolarHBondContact O-N 2.99Å; A703-R706 PolarHBondContact O-N 2.84Å
704N36.8Very low33Very low124 Ų124149.7 Ų149.766%0.66372%0.723SS**Hα-helixtrans-65.1-7.9-177.2-69.2-10.7000114.4V702V702-N704 PolarHBondContact O-N 2.71Å
705R36.1Very low32.8Very low135 Ų135150.8 Ų150.851%0.50973%0.731SS.*Hα-helixtrans-93.81.3-178.8-79.1-176.9-84.5-162.10.2115.2N701 V702 A703 R709N701-R705 PolarHBondContact O-NE 3.42Å; N701-R705 PolarHBondContact O-NH2 2.98Å; V702-R705 PolarHBondContact O-N 2.92Å; V702-R705 VanDerWaalsContact O-N 3.14Å; A703-R705 PolarHBondContact O-N 2.99Å; R705-R709 PolarHBondContact O-NH1 2.79Å
706R36.5Very low32.6Very low218 Ų218150.1 Ų150.182%0.82374%0.735SS**Hα-helixtrans-97.8-47.4170.4-82.4-175.4176.7165.32.6114.2A703 V708 R709A703-R706 PolarHBondContact O-N 2.84Å; R706-V708 VanDerWaalsContact C-N 3.33Å; R706-V708 PolarHBondContact O-N 2.79Å; R706-R709 PolarHBondContact O-N 2.69Å; R706-R709 VanDerWaalsContact O-N 3.08Å
707I37.6Very low32.5Very low115 Ų115150.4 Ų150.459%0.5974%0.742SS**Hα-helixtrans-62.5-39.6-173-63.4175.4000111.5R709I707-R709 PolarHBondContact O-N 3.21Å; I707-R709 VanDerWaalsContact O-N 3.15Å
708V31Very low32.2Very low113 Ų113152 Ų15269%0.68575%0.751SS**THydrogen-bonded Turntrans-71.2-6.7179.1-172.80000113.6R706R706-V708 VanDerWaalsContact C-N 3.33Å; R706-V708 PolarHBondContact O-N 2.79Å
709R32.6Very low31.9Very low184 Ų184148.2 Ų148.269%0.69475%0.745SS**THydrogen-bonded Turntrans-103.77.1-174-78.9-165.6172.199.2-3.6116.7R705 R706 I707R705-R709 PolarHBondContact O-NH1 2.79Å; R706-R709 PolarHBondContact O-N 2.69Å; R706-R709 VanDerWaalsContact O-N 3.08Å; I707-R709 PolarHBondContact O-N 3.21Å; I707-R709 VanDerWaalsContact O-N 3.15Å
710K32.8Very low31.5Very low198 Ų198149 Ų14986%0.86175%0.753SS**SBendtrans-110.4-8.6175.9-117177.9179.5-179.70115.7
711C27.4Very low31.4Very low121 Ų121148 Ų14882%0.81876%0.756SS**SBendtrans-116.79.2-175.5-620000115.3
712R26.1Very low30.9Very low230 Ų230150 Ų15087%0.86877%0.767SS**  trans-136.487.1172.7-85.6-170.4170.8-177.1-2112.5
713Q31.5Very low30.4Very low193 Ų193151 Ų15190%0.90277%0.768SS**SBendtrans-162.269.9154-123.9-177.927.400112.9
714R27Very low30Very low245 Ų245153.7 Ų153.793%0.92577%0.774SS**SBendtrans16182.7154.8-91.9162.9-171.9-111.7-1.9110
715L26.5Very low29.5Very low178 Ų178152.7 Ų152.793%0.93277%0.772SS**SBendtrans166.883.9154.4-96.7169.5000108.7
716S26.7Very low29Very low102 Ų102152.8 Ų152.871%0.71378%0.783SS**  trans174.1106.9160.455.20000108.6
717D31Very low28.5Very low170 Ų170151 Ų15191%0.90978%0.782SS**  trans-168.565.6156.2-93.8-25.5000106.1
718D27.2Very low27.9Very low162 Ų162152.1 Ų152.187%0.86678%0.784SS**  trans-89.3120.2173.1-73.8-60.6000109.5
719S27.4Very low27.6Very low109 Ų109152.8 Ų152.876%0.76278%0.784SS**  trans-169145.6152420000111.6
720S26.8Very low27.2Very low112 Ų112148.9 Ų148.978%0.78378%0.784SS**  trans17.4126.5157.555.50000118.9
721S29.8Very low26.9Very low115 Ų115146.2 Ų146.280%0.80478%0.78SS**  cis-145.6146.95052.40000115.5
722L25.1Very low26.9Very low153 Ų153147.4 Ų147.480%0.80178%0.778SS**  trans-71.4163.6161-91.5142.8000111.1
723N27.1Very low27Very low129 Ų129144 Ų14469%0.6977%0.772SS**  trans68.3145.2163.7-61.511.7000115.5
724D27.1Very low26.8Very low122 Ų122140.3 Ų140.365%0.65276%0.763SS**  cis-157.4-179.9-6.6-130.8-48.6000112.2
725T27Very low26.8Very low102 Ų102132.9 Ų132.963%0.62675%0.754SS**  trans56.8105.8152.550.60000120.1
726N25.5Very low27.1Very low138 Ų138129.3 Ų129.374%0.73874%0.739SS**  64.1140.5109.3-68.3-14.2000122.8
727F25.2Very low27.4Very low181 Ų181131.3 Ų131.379%0.79474%0.741SS**  trans64.6151.6160.4-82.1-124.5000116.2
728E24.2Very low27.5Very low138 Ų138132.3 Ų132.365%0.64573%0.732SS**  cis170.1148.4-28-115.7-151.6162.400104.4
729N24.9Very low27.7Very low127 Ų127131.5 Ų131.568%0.67972%0.721SS**  trans61.3160.7149.2-75.8-46.5000122.2
730S25.5Very low27.8Very low101 Ų101136 Ų13671%0.70672%0.721SS**  trans62.6115.9172.259.90000117.1
731N25.8Very low28.1Very low143 Ų143136.9 Ų136.977%0.76571%0.714SS**  77.511759.5-69.6-29.8000113.7
732N27.6Very low28.3Very low145 Ų145138.1 Ų138.178%0.77571%0.708SS**  trans66.5175.2169.1-48-49.3000113.2
733Q28.1Very low28.6Very low159 Ų159137.8 Ų137.874%0.74370%0.699SS**  cis-153.1159.25.6-151.8159.265.500110
734T26.8Very low28.9Very low116 Ų116138.7 Ų138.771%0.71270%0.699SS**  trans41.6120.5154.642.20000120.5
735A28.1Very low29Very low89 Ų89141.4 Ų141.474%0.73671%0.706SS**  6915989.700000114.3
736V31.7Very low29.1Very low103 Ų103144.6 Ų144.662%0.62472%0.716SS**  cis-144.4140.218-162.30000106.9R738V736-R738 HydrophobicContact CG1-CG 4.33Å
737L34.3Very low29.3Very low143 Ų143146.2 Ų146.275%0.74972%0.724SS**  178114.7103.7-83.3167.5000107.2
738R31.3Very low29.5Very low191 Ų191143.2 Ų143.272%0.72173%0.726SS**  66131.784.7-68.4-170.6-173.11710.6113.2V736V736-R738 HydrophobicContact CG1-CG 4.33Å
739K33.1Very low29.9Very low146 Ų146139.9 Ų139.964%0.63573%0.728SS**  cis-169.4159.3-0.3-123.8177.5-176.4178.30111.2
740R29.1Very low30.2Very low203 Ų203140.3 Ų140.377%0.76673%0.731SS**  trans67.1149.5145.6-77.8-167161.8150-5.1119.4
741M32.9Very low30.5Very low130 Ų130147.1 Ų147.164%0.6474%0.741SS**  cis-137.5152.7-26.3-74.2-148.762.200106.7
742Q34.3Very low30.8Very low142 Ų142147 Ų14766%0.66474%0.74SS**  56.4137.858.3-78.4-16619.600112.6
743K31.6Very low31.1Very low145 Ų145150 Ų15063%0.6375%0.746SS**  cis-164.7-170.86.6-139.7176.8-176.9178.40109
744H33.7Very low31.3Very low149 Ų149147.9 Ų147.969%0.6975%0.749SS**  trans74.5140.4163.9-64-69.8000118.6
745F28.8Very low31.8Very low178 Ų178148.3 Ų148.378%0.78175%0.754SS**  cis-154.7-178.3-30.9-144.7-121.8000109.3
746M28.4Very low31.9Very low170 Ų170149.4 Ų149.484%0.83776%0.756SS**  trans-80.7147.2-179.5-48.8-174.383.100111.7
747N30.3Very low31.9Very low171 Ų171150.1 Ų150.191%0.91476%0.761SS**  trans-150.8155.8132.3-134.1-12.8000111.9
748S29.7Very low31.7Very low118 Ų118151.9 Ų151.983%0.82577%0.765SS**  trans-140.1139.3179-173.40000109.5
749G31.4Very low31.7Very low68 Ų68147.2 Ų147.270%0.70176%0.761SS**  trans159.879.2-170.600000110.4
750N31.4Very low31.6Very low136 Ų136147.8 Ų147.873%0.72777%0.771SS**  66.295.570.1-170.916.2000113.3
751R32.9Very low31.7Very low244 Ų244144.1 Ų144.192%0.92178%0.777SS**  trans-169.2138140.2-104.9156.8-166.3-157.42.9113.7
752N31.4Very low31.5Very low142 Ų142143.4 Ų143.476%0.75978%0.783SS**  trans-66.5147.4-177.4-42.7-40.6000113.8
753K34.1Very low31.3Very low207 Ų207146.4 Ų146.490%0.979%0.794SS**  -176.3173.8115.3-99.4173.4-179.5-174.60112.1
754S32.4Very low31.2Very low115 Ų115145.1 Ų145.180%0.80480%0.799SS**  trans-114.6-159.2-165.3-51.60000111.9
755P36.4Very low31Very low124 Ų124144 Ų14481%0.80580%0.797SS**  -132.5149.1-89.639.4-22.8000116.8
756S31Very low31.1Very low113 Ų113141.1 Ų141.179%0.7979%0.791SS**  trans-161.2130.1162.245.60000108.4
757V30.7Very low31.2Very low118 Ų118139.2 Ų139.272%0.71578%0.784SS**  84.9119.860.6169.40000112.7
758H31.5Very low31.2Very low180 Ų180137.2 Ų137.283%0.83377%0.773SS**  trans61.1157.6176-60.5-46.5000117.3
759S30.2Very low31.4Very low93 Ų93138.4 Ų138.465%0.6577%0.77SS**  cis-164.8156.1-29.852.50000110.2
760N31Very low31.4Very low157 Ų157143.4 Ų143.484%0.8477%0.773SS**  trans27.9116.3152.3-54.9-8.3000120
761S32.2Very low31.3Very low126 Ų126144 Ų14488%0.88178%0.775SS**  -178.3153.6111.1-167.40000111.6
762C27.2Very low31.3Very low115 Ų115142.4 Ų142.478%0.77778%0.775SS**  trans-106139.4177.1-60.70000110.7
763K32.2Very low31.1Very low206 Ų206144.3 Ų144.390%0.89678%0.778SS**  trans-162.7151.8137.1-108.5153.7-171.2178.80113.6
764T28.7Very low31Very low118 Ų118141.1 Ų141.172%0.72478%0.777SS**  trans-53.1163.7171.545.10000112.5
765N30.2Very low30.8Very low124 Ų124146.4 Ų146.466%0.66378%0.779SS**  cis-162.8166.638.9-144.5-0.9000115
766N30.1Very low30.3Very low119 Ų119152.3 Ų152.364%0.63679%0.785SS**  trans35.3118154.5-67-16.6000119.8
767N31.4Very low30.2Very low130 Ų130157.5 Ų157.570%0.69579%0.789SS**  -172.9141.468.5-96.8-49.8000115.1
768N30.1Very low30.3Very low128 Ų128155.3 Ų155.368%0.68478%0.779SS**  trans38.5103.3138.5-53-27.9000121.6
769N32.3Very low30.6Very low144 Ų144157.1 Ų157.177%0.7778%0.778SS**  174140.291.6-98.5-63.2000117.5
770K31.3Very low30.9Very low173 Ų173157.7 Ų157.775%0.75277%0.774SS**  trans47.1111.4146-69.5-177176.8175.50123.2
771L29.7Very low31.1Very low149 Ų149158.3 Ų158.378%0.7877%0.77SS**  trans62.4118.4135.6-80.276.2000120.9
772K32.7Very low31.5Very low210 Ų210157 Ų15791%0.91376%0.756SS**  -162.8145.6103.8-102.7153.1-173168.50112.9
773H28.6Very low32.1Very low181 Ų181154.7 Ų154.784%0.83874%0.741SS**  trans-73.6139.5-179-72.9-77.8000113.5
774T31.3Very low32.5Very low140 Ų140151.4 Ų151.486%0.85973%0.729SS**  trans-137134.6139.753.10000109.7
775R27.1Very low33.1Very low227 Ų227151.2 Ų151.286%0.85772%0.723SS**  trans-79.3130.9-176.2-68.5177.1174.4172.8-3.5112.1
776R27.7Very low33.9Very low248 Ų248150.7 Ų150.794%0.93672%0.718SS**  trans-134.7112.7145.2-71.3-171.4-179-176.71.5107.6
777Y29Very low35Very low222 Ų222149 Ų14987%0.87171%0.709SS**  trans-74133.2169.2-102.2-106.6000108.5
778S31.5Very low36.1Very low72 Ų72146.5 Ų146.550%0.50370%0.698SS.*  trans-63.4144.3175.9147.70000110.5D780S778-D780 VanDerWaalsContact C-N 3.27Å; S778-D780 VanDerWaalsContact CB-OD2 3.31Å; S778-D780 WeakPolarHBondContact CB-OD2 3.38Å; S778-D780 WeakPolarHBondContact OG-CB 3.47Å; S778-D780 VanDerWaalsContact OG-CG 3.29Å; S778-D780 PolarHBondContact OG-N 3.18Å; S778-D780 PolarHBondContact OG-OD2 3.09Å
779R37.9Very low37Very low217 Ų217145.3 Ų145.382%0.81969%0.691SS**SBendtrans-85.6-6.8175.9-174.1168.6174152.5-2.8111.7V782R779-V782 PolarHBondContact O-N 3.09Å
780D37.7Very low37.9Very low106 Ų106144.1 Ų144.157%0.56768%0.681SS**Hα-helixtrans-94.6-24-152.2-38.5-59000111.4S778 V782 S783 H784S778-D780 VanDerWaalsContact C-N 3.27Å; S778-D780 VanDerWaalsContact CB-OD2 3.31Å; S778-D780 WeakPolarHBondContact CB-OD2 3.38Å; S778-D780 WeakPolarHBondContact OG-CB 3.47Å; S778-D780 VanDerWaalsContact OG-CG 3.29Å; S778-D780 PolarHBondContact OG-N 3.18Å; S778-D780 PolarHBondContact OG-OD2 3.09Å; D780-V782 PolarHBondContact O-N 3.09Å; D780-S783 WeakPolarHBondContact O-CB 3.16Å; D780-S783 PolarHBondContact O-N 3.41Å; D780-H784 PolarHBondContact O-N 2.87Å
781K35.2Very low39Very low170 Ų170140.6 Ų140.674%0.73967%0.67SS**Hα-helixtrans-65.5-19.2166.7-75-159.2171.2-163.20114N785K781-N785 PolarHBondContact O-N 3.44Å; K781-N785 PolarHBondContact O-OD1 2.96Å
782V39.4Very low39.9Very low98 Ų98140.7 Ų140.759%0.59466%0.661SS**Hα-helixtrans-78.4-39.3171.7-175.60000110.2R779 D780 M786R779-V782 PolarHBondContact O-N 3.09Å; D780-V782 PolarHBondContact O-N 3.09Å; V782-M786 HydrophobicContact CG1-CG 4.26Å; V782-M786 WeakPolarHBondContact O-CB 3.27Å; V782-M786 VanDerWaalsContact O-CG 3.25Å; V782-M786 WeakPolarHBondContact O-CG 3.45Å; V782-M786 PolarHBondContact O-N 2.78Å
783S40.5Very low40.9Very low67 Ų67134.1 Ų134.147%0.46964%0.639SS.*Hα-helixtrans-58.9-51.1173.4-172.70000110.9D780 N785 M786 N787D780-S783 WeakPolarHBondContact O-CB 3.16Å; D780-S783 PolarHBondContact O-N 3.41Å; S783-N785 PolarHBondContact O-N 3.4Å; S783-M786 PolarHBondContact O-N 3.36Å; S783-M786 VanDerWaalsContact O-N 3.16Å; S783-N787 WeakPolarHBondContact O-CB 3.01Å; S783-N787 PolarHBondContact O-N 3.32Å; S783-N787 PolarHBondContact O-OD1 2.87Å; S783-N787 VanDerWaalsContact O-OD1 3.11Å
784H39.3Very low42.2Very low137 Ų137128 Ų12863%0.63461%0.614SS**Hα-helixtrans-64-39.7-177.3-141.656.1000112.9D780 N787 V788D780-H784 PolarHBondContact O-N 2.87Å; H784-N787 PolarHBondContact O-N 3.08Å; H784-V788 WeakPolarHBondContact O-CB 3.45Å; H784-V788 VanDerWaalsContact O-CG2 3.28Å; H784-V788 WeakPolarHBondContact O-CG2 3.42Å; H784-V788 PolarHBondContact O-N 3.27Å
785N43.1Very low43Very low113 Ų113124.8 Ų124.860%0.60459%0.594SS**Hα-helixtrans-72.3-29175.5-78.536.4000113.6K781 S783 L789K781-N785 PolarHBondContact O-N 3.44Å; K781-N785 PolarHBondContact O-OD1 2.96Å; S783-N785 PolarHBondContact O-N 3.4Å; N785-L789 WeakPolarHBondContact O-CB 3.3Å; N785-L789 PolarHBondContact O-N 3.45Å; N785-L789 VanDerWaalsContact O-N 3.09Å
786M46.9Very low43.8Very low114 Ų114118.8 Ų118.856%0.56258%0.576SS**Hα-helixtrans-73.9-38.5172.7-74.5-62.1-56.700111.5V782 S783 L789 H790V782-M786 HydrophobicContact CG1-CG 4.26Å; V782-M786 WeakPolarHBondContact O-CB 3.27Å; V782-M786 VanDerWaalsContact O-CG 3.25Å; V782-M786 WeakPolarHBondContact O-CG 3.45Å; V782-M786 PolarHBondContact O-N 2.78Å; S783-M786 PolarHBondContact O-N 3.36Å; S783-M786 VanDerWaalsContact O-N 3.16Å; M786-L789 PolarHBondContact O-N 3.27Å; M786-H790 WeakPolarHBondContact O-CB 3.43Å; M786-H790 PolarHBondContact O-N 3.19Å
787N51.8Low44.7Very low83 Ų83111.8 Ų111.844%0.44456%0.561SS.*Hα-helixtrans-65.9-45.4173.4-74.835.9000110.8S783 H784 L789 H790 D791S783-N787 WeakPolarHBondContact O-CB 3.01Å; S783-N787 PolarHBondContact O-N 3.32Å; S783-N787 PolarHBondContact O-OD1 2.87Å; S783-N787 VanDerWaalsContact O-OD1 3.11Å; H784-N787 PolarHBondContact O-N 3.08Å; N787-L789 VanDerWaalsContact C-N 3.27Å; N787-L789 PolarHBondContact O-N 3.02Å; N787-H790 CarbonylContact O-C 3.57Å; N787-H790 WeakPolarHBondContact O-CA 3.49Å; N787-H790 WeakPolarHBondContact O-CB 3.25Å; N787-H790 PolarHBondContact O-N 3.18Å; N787-D791 WeakPolarHBondContact O-CB 3.35Å; N787-D791 VanDerWaalsContact O-CG 3.22Å; N787-D791 PolarHBondContact O-N 2.88Å
788V55.4Low45.3Very low77 Ų77108.2 Ų108.247%0.46755%0.552SS.*Hα-helixtrans-60.3-37174.4167.80000111.7H784 Y792H784-V788 WeakPolarHBondContact O-CB 3.45Å; H784-V788 VanDerWaalsContact O-CG2 3.28Å; H784-V788 WeakPolarHBondContact O-CG2 3.42Å; H784-V788 PolarHBondContact O-N 3.27Å; V788-Y792 WeakPolarHBondContact O-CB 3.43Å; V788-Y792 PolarHBondContact O-N 3.29Å
789L49.4Very low45.5Very low103 Ų103108.5 Ų108.554%0.53955%0.554SS.*Hα-helixtrans-67.1-42.1171.2-102.8161.6000112.4N785 M786 N787 Y792 T793N785-L789 WeakPolarHBondContact O-CB 3.3Å; N785-L789 PolarHBondContact O-N 3.45Å; N785-L789 VanDerWaalsContact O-N 3.09Å; M786-L789 PolarHBondContact O-N 3.27Å; N787-L789 VanDerWaalsContact C-N 3.27Å; N787-L789 PolarHBondContact O-N 3.02Å; L789-Y792 PolarHBondContact O-N 2.93Å; L789-T793 WeakPolarHBondContact O-CB 3.28Å; L789-T793 PolarHBondContact O-N 2.9Å; L789-T793 PolarHBondContact O-OG1 2.82Å
790H50.8Low45.2Very low120 Ų120105.5 Ų105.556%0.55655%0.549SS*.Hα-helixtrans-63.8-44.4178.1-167.416.5000111.1M786 N787 T793 V794M786-H790 WeakPolarHBondContact O-CB 3.43Å; M786-H790 PolarHBondContact O-N 3.19Å; N787-H790 CarbonylContact O-C 3.57Å; N787-H790 WeakPolarHBondContact O-CA 3.49Å; N787-H790 WeakPolarHBondContact O-CB 3.25Å; N787-H790 PolarHBondContact O-N 3.18Å; H790-T793 PolarHBondContact O-N 2.96Å; H790-V794 WeakPolarHBondContact ND1-CG2 3.37Å; H790-V794 VanDerWaalsContact O-CB 3.23Å; H790-V794 WeakPolarHBondContact O-CB 3.22Å; H790-V794 WeakPolarHBondContact O-CG2 3.24Å; H790-V794 PolarHBondContact O-N 3.38Å
791D54.1Low44.9Very low98 Ų98108.3 Ų108.352%0.52456%0.563SS.*Hα-helixtrans-63-40.8173.6-64.5-24.2000110.9N787 T795N787-D791 WeakPolarHBondContact O-CB 3.35Å; N787-D791 VanDerWaalsContact O-CG 3.22Å; N787-D791 PolarHBondContact O-N 2.88Å; D791-T795 VanDerWaalsContact O-CB 3.28Å; D791-T795 WeakPolarHBondContact O-CB 3.46Å; D791-T795 VanDerWaalsContact O-CG2 3.28Å; D791-T795 WeakPolarHBondContact O-CG2 3.3Å; D791-T795 PolarHBondContact O-N 3.22Å; D791-T795 PolarHBondContact O-OG1 3.35Å
792Y49.1Very low44.5Very low151 Ų151104.8 Ų104.859%0.59256%0.556SS**Hα-helixtrans-67.3-39.7176.7-133.9-93.6000112.7V788 L789 T795 H796V788-Y792 WeakPolarHBondContact O-CB 3.43Å; V788-Y792 PolarHBondContact O-N 3.29Å; L789-Y792 PolarHBondContact O-N 2.93Å; Y792-T795 WeakPolarHBondContact CA-OG1 3.32Å; Y792-T795 PolarHBondContact O-OG1 2.76Å; Y792-H796 AromaticContact CD1-CE1 3.89Å; Y792-H796 AromaticContact CD1-ND1 3.79Å; Y792-H796 AromaticContact CE1-CE1 3.56Å; Y792-H796 AromaticContact CE1-ND1 3.92Å; Y792-H796 VanDerWaalsContact O-CB 3.3Å; Y792-H796 WeakPolarHBondContact O-CB 3.28Å; Y792-H796 PolarHBondContact O-N 3.42Å; Y792-H796 PolarHBondContact O-ND1 3.32Å
793T54.1Low44Very low73 Ų73105.7 Ų105.745%0.44856%0.564SS.*Hα-helixtrans-72.3-42.8176.3-63.90000111.5L789 H790 H796 V797L789-T793 WeakPolarHBondContact O-CB 3.28Å; L789-T793 PolarHBondContact O-N 2.9Å; L789-T793 PolarHBondContact O-OG1 2.82Å; H790-T793 PolarHBondContact O-N 2.96Å; T793-H796 PolarHBondContact O-N 3.41Å; T793-V797 HydrophobicContact CG2-CG2 4.45Å; T793-V797 WeakPolarHBondContact O-CB 3.46Å; T793-V797 VanDerWaalsContact O-CG2 3.3Å; T793-V797 WeakPolarHBondContact O-CG2 3.27Å; T793-V797 PolarHBondContact O-N 3.05Å
794V54.3Low43.4Very low51 Ų51107.1 Ų107.131%0.30957%0.57SS.*Hα-helixtrans-64.6-43.9176.21680000110.2H790 V797 Q798H790-V794 WeakPolarHBondContact ND1-CG2 3.37Å; H790-V794 VanDerWaalsContact O-CB 3.23Å; H790-V794 WeakPolarHBondContact O-CB 3.22Å; H790-V794 WeakPolarHBondContact O-CG2 3.24Å; H790-V794 PolarHBondContact O-N 3.38Å; V794-V797 PolarHBondContact O-N 3.15Å; V794-Q798 HydrophobicContact CG1-CG 4.38Å; V794-Q798 VanDerWaalsContact O-CB 3.25Å; V794-Q798 WeakPolarHBondContact O-CB 3.15Å; V794-Q798 WeakPolarHBondContact O-CG 3.48Å; V794-Q798 PolarHBondContact O-N 2.84Å
795T48.6Very low42.9Very low73 Ų73108.1 Ų108.145%0.44858%0.575SS.*Hα-helixtrans-67.5-35.517453.40000112.9D791 Y792 Q798 S799D791-T795 VanDerWaalsContact O-CB 3.28Å; D791-T795 WeakPolarHBondContact O-CB 3.46Å; D791-T795 VanDerWaalsContact O-CG2 3.28Å; D791-T795 WeakPolarHBondContact O-CG2 3.3Å; D791-T795 PolarHBondContact O-N 3.22Å; D791-T795 PolarHBondContact O-OG1 3.35Å; Y792-T795 WeakPolarHBondContact CA-OG1 3.32Å; Y792-T795 PolarHBondContact O-OG1 2.76Å; T795-Q798 CarbonylContact O-C 3.55Å; T795-Q798 PolarHBondContact O-N 3.35Å; T795-S799 WeakPolarHBondContact O-CB 3.07Å; T795-S799 PolarHBondContact O-N 3.49Å; T795-S799 PolarHBondContact O-OG 2.64Å; T795-S799 VanDerWaalsContact O-OG 3.05Å
796H43.2Very low42.2Very low101 Ų101111.8 Ų111.847%0.46859%0.586SS.*Hα-helixtrans-65.8-40.2172.5-95.254000113.1Y792 T793 Q798 S799 Q800Y792-H796 AromaticContact CD1-CE1 3.89Å; Y792-H796 AromaticContact CD1-ND1 3.79Å; Y792-H796 AromaticContact CE1-CE1 3.56Å; Y792-H796 AromaticContact CE1-ND1 3.92Å; Y792-H796 VanDerWaalsContact O-CB 3.3Å; Y792-H796 WeakPolarHBondContact O-CB 3.28Å; Y792-H796 PolarHBondContact O-N 3.42Å; Y792-H796 PolarHBondContact O-ND1 3.32Å; T793-H796 PolarHBondContact O-N 3.41Å; H796-Q798 VanDerWaalsContact C-N 3.34Å; H796-S799 WeakPolarHBondContact CA-OG 3.38Å; H796-S799 PolarHBondContact O-N 3.14Å; H796-S799 PolarHBondContact O-OG 3.17Å; H796-Q800 PolarHBondContact O-N 3.49Å; H796-Q800 VanDerWaalsContact O-N 3.07Å
797V46.6Very low41.3Very low102 Ų102108.5 Ų108.562%0.61858%0.582SS**Hα-helixtrans-72.1-30.4176.9172.40000111.2T793 V794T793-V797 HydrophobicContact CG2-CG2 4.45Å; T793-V797 WeakPolarHBondContact O-CB 3.46Å; T793-V797 VanDerWaalsContact O-CG2 3.3Å; T793-V797 WeakPolarHBondContact O-CG2 3.27Å; T793-V797 PolarHBondContact O-N 3.05Å; V794-V797 PolarHBondContact O-N 3.15Å
798Q42Very low40.6Very low147 Ų147110.9 Ų110.969%0.68759%0.594SS**Hα-helixtrans-82.9-19.9173.2-70.5172.3-17.300113.6V794 T795 H796V794-Q798 HydrophobicContact CG1-CG 4.38Å; V794-Q798 VanDerWaalsContact O-CB 3.25Å; V794-Q798 WeakPolarHBondContact O-CB 3.15Å; V794-Q798 WeakPolarHBondContact O-CG 3.48Å; V794-Q798 PolarHBondContact O-N 2.84Å; T795-Q798 CarbonylContact O-C 3.55Å; T795-Q798 PolarHBondContact O-N 3.35Å; H796-Q798 VanDerWaalsContact C-N 3.34Å
799S35.8Very low39.3Very low78 Ų78115.5 Ų115.555%0.54562%0.615SS.*Hα-helixtrans-93.6-7.517574.60000113.7T795 H796 L801T795-S799 WeakPolarHBondContact O-CB 3.07Å; T795-S799 PolarHBondContact O-N 3.49Å; T795-S799 PolarHBondContact O-OG 2.64Å; T795-S799 VanDerWaalsContact O-OG 3.05Å; H796-S799 WeakPolarHBondContact CA-OG 3.38Å; H796-S799 PolarHBondContact O-N 3.14Å; H796-S799 PolarHBondContact O-OG 3.17Å; S799-L801 VanDerWaalsContact C-N 3.34Å; S799-L801 PolarHBondContact O-N 3.3Å; S799-L801 VanDerWaalsContact O-N 3.08Å
800Q32.5Very low38.6Very low153 Ų153117.3 Ų117.372%0.71563%0.626SS**SBendtrans-75.692.9163.4-78.2-169.74.600108.8H796 T802H796-Q800 PolarHBondContact O-N 3.49Å; H796-Q800 VanDerWaalsContact O-N 3.07Å; Q800-T802 PolarHBondContact O-N 3.48Å
801L31.8Very low37.6Very low166 Ų166120.4 Ų120.487%0.86964%0.638SS**  trans-50.5122177-69.4163.8000110.7S799S799-L801 VanDerWaalsContact C-N 3.34Å; S799-L801 PolarHBondContact O-N 3.3Å; S799-L801 VanDerWaalsContact O-N 3.08Å
802T26.8Very low36.5Very low95 Ų95126.8 Ų126.858%0.58365%0.654SS**  trans-61.1139.9170.150.10000109.7Q800 T804Q800-T802 PolarHBondContact O-N 3.48Å; T802-T804 WeakPolarHBondContact CB-OG1 3.48Å; T802-T804 PolarHBondContact O-N 3.19Å; T802-T804 PolarHBondContact OG1-OG1 3.39Å
803P27.1Very low35.6Very low117 Ų117129 Ų12976%0.7667%0.667SS**SBendtrans-75.650-178.532.1-36.8000112.9
804T28.6Very low34.6Very low97 Ų97130.6 Ų130.660%0.59568%0.679SS**SBendtrans-141.824.1-17348.20000112.8T802T802-T804 WeakPolarHBondContact CB-OG1 3.48Å; T802-T804 PolarHBondContact O-N 3.19Å; T802-T804 PolarHBondContact OG1-OG1 3.39Å
805Q29.1Very low33.4Very low158 Ų158134.2 Ų134.274%0.73870%0.701SS**SBendtrans-157.4150164.7-111.6143.786.300111.2
806F28.4Very low32.4Very low190 Ų190141.3 Ų141.383%0.83372%0.721SS**  trans64.785.7-176.2-62.6-77.9000116.9
807G28.6Very low31.7Very low46 Ų46142.7 Ų142.747%0.47474%0.737SS.*  trans-148.748.7163.400000110
808L35.4Very low30.8Very low133 Ų133141.8 Ų141.870%0.69673%0.734SS**  trans-97.2117-173.2-79.3172.7000112D810L808-D810 PolarHBondContact O-N 3.27Å
809N30.1Very low30.2Very low173 Ų173142.8 Ų142.893%0.92574%0.739SS**  trans-82.390.3150.3-85.5-25.1000108.6
810D33.1Very low29.9Very low141 Ų141149.2 Ų149.275%0.75475%0.753SS**  trans-148.7158.1155.6-143.8-18.7000112.8L808L808-D810 PolarHBondContact O-N 3.27Å
811K29.7Very low29.8Very low186 Ų186150.3 Ų150.381%0.80976%0.758SS**  trans-103.4113.4-150.8-58.3164.9-175.4172.40112.3
812R32.8Very low29.7Very low231 Ų231148 Ų14887%0.87275%0.752SS**  trans-174.2110.4144.1-100.7144.5-167.1-1492.8115.5
813F29.3Very low29.9Very low197 Ų197149.4 Ų149.486%0.86476%0.761SS**  trans71.5150.2142.2-80.1-97.4000119.2
814P32.1Very low30.1Very low107 Ų107150.5 Ų150.570%0.69576%0.76SS**  -142.4163.3-116.241.7-23.5000117.2
815T29.6Very low30.1Very low127 Ų127153.9 Ų153.978%0.77977%0.771SS**  trans-145.5109159.6-53.70000111.4
816Y27Very low30.2Very low222 Ų222155.6 Ų155.687%0.87177%0.772SS**  trans23.195.5162.8-51.8-70.4000120.8
817T30.1Very low30.3Very low131 Ų131150.9 Ų150.980%0.80476%0.76SS**  -154.4135.3128.1-78.10000108.4
818C27Very low30.4Very low82 Ų82155.4 Ų155.455%0.55477%0.768SS**  trans-86.4122.6-177.5-177.40000110.7
819H29.9Very low30.1Very low168 Ų168150.5 Ų150.578%0.77875%0.745SS**  trans-132116.2162-90.731.2000108.5Q821H819-Q821 PolarHBondContact O-N 3.22Å
820Y28.6Very low30.1Very low213 Ų213147.2 Ų147.284%0.83573%0.728SS**PPolyproline II helixtrans-69.8124.1169.9-89.3-114.2000109.1
821Q30Very low29.9Very low177 Ų177144.4 Ų144.483%0.82772%0.716SS**PPolyproline II helixtrans-93.6132.2158.4-66.1-169.3-76.200108.5H819H819-Q821 PolarHBondContact O-N 3.22Å
822P31Very low29.9Very low116 Ų116139.7 Ų139.775%0.75370%0.702SS**PPolyproline II helixtrans-59144.4164.4-19.932.8000110.1
823V31.1Very low29.9Very low126 Ų126136.2 Ų136.276%0.76470%0.696SS**  trans-100.6105.1171.91780000107.9M825V823-M825 HydrophobicContact CG1-CG 4.32Å; V823-M825 PolarHBondContact O-N 3.23Å
824D30.2Very low30.1Very low140 Ų140132.6 Ų132.675%0.74969%0.685SS**  trans-70.494.8173.2-66.6-47.7000109.8
825M29.9Very low30.1Very low168 Ų168131.2 Ų131.283%0.82868%0.678SS**  trans-84.8121.4171-90.9-145.168.100111.1V823V823-M825 HydrophobicContact CG1-CG 4.32Å; V823-M825 PolarHBondContact O-N 3.23Å
826Y30.8Very low30.4Very low193 Ų193130 Ų13076%0.75767%0.667SS**  trans-77.2139.9177.5-75.6-99.8000112.2
827T29.1Very low30.8Very low92 Ų92123.4 Ų123.456%0.56465%0.653SS**  trans35.7106.9148.157.50000118.8
828E30.8Very low31.1Very low140 Ų140120.6 Ų120.665%0.65463%0.633SS**  trans-149.7125.4141.8-139172.8-125.800115.1K619 S620K619-E828 CarbonylContact C-O 3.57Å; K619-E828 WeakPolarHBondContact CA-O 3.3Å; K619-E828 PolarHBondContact N-O 2.82Å; S620-E828 PolarHBondContact N-O 2.83Å; S620-E828 WeakPolarHBondContact OG-CA 3.22Å; S620-E828 PolarHBondContact OG-N 3.21Å
829S29.1Very low31.6Very low30 Ų30125.1 Ų125.121%0.2165%0.651CS.*  trans-120.7130.1159.830.70000105.2S620S620-S829 VanDerWaalsContact N-CB 3.34Å; S620-S829 VanDerWaalsContact O-CB 3.22Å; S620-S829 WeakPolarHBondContact O-CB 3.44Å; S620-S829 PolarHBondContact O-OG 2.84Å; S620-S829 PolarHBondContact OG-N 2.96Å; S620-S829 PolarHBondContact OG-OG 2.88Å
830N29.9Very low32Very low105 Ų105122 Ų12256%0.56165%0.648SS**  cis-164.9138.848-107.6-45.3000110.5K619K619-N830 WeakPolarHBondContact CD-OD1 3.28Å; K619-N830 WeakPolarHBondContact CE-OD1 3.33Å; K619-N830 PolarHBondContact NZ-OD1 3.36Å
831T30Very low32.4Very low82 Ų82119.4 Ų119.450%0.50365%0.649SS.*  trans104.9105.5135.3-61.80000118.9K619K619-T831 PolarHBondContact NZ-OG1 3.06Å
832T29.9Very low32.8Very low86 Ų86115.6 Ų115.653%0.52864%0.639SS.*  59.1123.1128.1-50.50000120.9
833Q33Very low33.5Very low158 Ų158118.5 Ų118.574%0.73864%0.642SS**  trans77.4111.2155-75.8166.429.300120.5
834L32Very low34.1Very low122 Ų122119 Ų11964%0.63965%0.646SS**  73.4117.4123.1-64.6169000121.5
835S32.4Very low34.5Very low77 Ų77116.4 Ų116.454%0.53865%0.652SS.*  76100.9126.871.40000121.7D615D615-S835 PolarHBondContact OD2-N 3.24Å
836D35.9Very low34.8Very low102 Ų102118.2 Ų118.255%0.54565%0.651SS.*  86.3149.4113.2-150.51.4000121.1Y613Y613-D836 WeakPolarHBondContact CD1-OD1 3.34Å
837S36.9Very low35.4Very low84 Ų84116.7 Ų116.759%0.58766%0.656SS**  trans84.586.9155.172.40000123.1
838N36Very low36.1Very low71 Ų71117.7 Ų117.738%0.3865%0.653SS.*  49.8121.5123.2-53.8-71.5000121.9K612 Y613K612-N838 WeakPolarHBondContact CE-OD1 3.18Å; K612-N838 PolarHBondContact NZ-ND2 2.97Å; K612-N838 PolarHBondContact NZ-OD1 2.84Å; Y613-N838 PolarHBondContact OH-N 2.84Å; Y613-N838 PolarHBondContact OH-OD1 3.04Å
839L37.8Very low37Very low177 Ų177116 Ų11693%0.92766%0.656SS**  trans-143.6160.3131.8-16454.2000110.8
840S36.6Very low38.4Very low104 Ų104118.1 Ų118.173%0.72767%0.669SS**  trans-119.9150.4-170-500000111.9
841D37.5Very low40Very low158 Ų158118.6 Ų118.685%0.84567%0.671SS**  trans-151.2155.7165.4-130.418.7000110.1
842P39.1Very low42.2Very low96 Ų96119 Ų11962%0.62368%0.675SS**  -133.757.4-124.334.1-10.8000114.4
843H44.6Very low44.4Very low177 Ų177122.4 Ų122.482%0.81968%0.683SS**  trans-128.581-177.5-71.3-48000115
844T45.7Very low46.4Very low138 Ų138118.2 Ų118.285%0.84768%0.675SS**  trans-172.7119.4141.415.60000110.4Y846T844-Y846 PolarHBondContact O-N 3.34Å
845G37.8Very low48.4Very low85 Ų85116.7 Ų116.788%0.87667%0.667SS**  trans-78.9110.1179.200000112.5
846Y36.9Very low50.6Low205 Ų205116.4 Ų116.480%0.80466%0.662SS**  trans-69130.8165.8-97.1-95000110.9T844T844-Y846 PolarHBondContact O-N 3.34Å
847N42.3Very low52.7Low162 Ų162116.9 Ų116.987%0.86666%0.661SS**  trans-112.1123.4153.2-93.9-32.9000108.7
848K43.9Very low55Low112 Ų112119.9 Ų119.949%0.48766%0.661SS.*  trans-91.8101.2-176-71.1-177.5171.6-173.90111.7N608N608-K848 PolarHBondContact OD1-NZ 3.42Å
849S50.7Low57.3Low104 Ų104121.1 Ų121.173%0.72767%0.667SS**PPolyproline II helixtrans-84.1135.3148.750.20000109
850P57.9Low59.5Low75 Ų75117.5 Ų117.549%0.48765%0.645SS.*PPolyproline II helixtrans-67.3137.9170.628-32.1000109.7T604T604-P850 HydrophobicContact CG2-CG 3.84Å
851I62.2Low61.9Low116 Ų116118.3 Ų118.360%0.59564%0.641SS**PPolyproline II helixtrans-64.2131.1175.4-62.5172.1000108.3F853 L855I851-F853 PolarHBondContact O-N 3.04Å; I851-L855 HydrophobicContact CG2-CB 4.1Å; I851-L855 HydrophobicContact CG2-CD2 3.81Å
852P77.6Confident64.1Low91 Ų91112.8 Ų112.859%0.59161%0.613SS**PPolyproline II helixtrans-55.7131179.6-27.335.4000112A854 L855 T856P852-A854 PolarHBondContact O-N 3.09Å; P852-A854 VanDerWaalsContact O-N 3.1Å; P852-L855 WeakPolarHBondContact O-CA 3.47Å; P852-L855 WeakPolarHBondContact O-CB 3.15Å; P852-L855 PolarHBondContact O-N 2.92Å; P852-T856 PolarHBondContact O-N 2.85Å
853F76.5Confident66.5Low157 Ų157113.1 Ų113.169%0.68960%0.604SS**Hα-helixtrans-52.2-38.3-175.1-179.1-94.9000113.3I851 L855 T856 Q857I851-F853 PolarHBondContact O-N 3.04Å; F853-L855 VanDerWaalsContact C-N 3.3Å; F853-L855 PolarHBondContact O-N 3.21Å; F853-T856 WeakPolarHBondContact O-CB 3.41Å; F853-T856 PolarHBondContact O-N 2.83Å; F853-Q857 WeakPolarHBondContact O-CB 3.31Å; F853-Q857 PolarHBondContact O-N 3.11Å
854A74.7Confident68.6Low70 Ų70109.4 Ų109.458%0.57959%0.587SS**Hα-helixtrans-61.3-33.2176.100000113.6P852 Y858P852-A854 PolarHBondContact O-N 3.09Å; P852-A854 VanDerWaalsContact O-N 3.1Å; A854-Y858 WeakPolarHBondContact O-CB 3.41Å; A854-Y858 PolarHBondContact O-N 3.37Å
855L73.2Confident70.5Confident90 Ų90105.7 Ų105.747%0.47157%0.571SS.*Hα-helixtrans-71.5-42.3175.5-162.181.1000110.6I851 P852 F853 Q857 Y858 L859I851-L855 HydrophobicContact CG2-CB 4.1Å; I851-L855 HydrophobicContact CG2-CD2 3.81Å; P852-L855 WeakPolarHBondContact O-CA 3.47Å; P852-L855 WeakPolarHBondContact O-CB 3.15Å; P852-L855 PolarHBondContact O-N 2.92Å; F853-L855 VanDerWaalsContact C-N 3.3Å; F853-L855 PolarHBondContact O-N 3.21Å; L855-Q857 VanDerWaalsContact C-N 3.32Å; L855-Q857 PolarHBondContact O-N 3.13Å; L855-Y858 PolarHBondContact O-N 3.07Å; L855-L859 HydrophobicContact CD2-CD1 4.44Å; L855-L859 HydrophobicContact CG-CD1 4.27Å; L855-L859 WeakPolarHBondContact O-CB 3.11Å; L855-L859 VanDerWaalsContact O-CG 3.26Å; L855-L859 WeakPolarHBondContact O-CG 3.17Å; L855-L859 PolarHBondContact O-N 3.45Å
856T79.1Confident72.9Confident71 Ų71106.8 Ų106.844%0.43655%0.552SS.*Hα-helixtrans-59.5-44.2173.6-49.50000111.1P852 F853 L859 E860P852-T856 PolarHBondContact O-N 2.85Å; F853-T856 WeakPolarHBondContact O-CB 3.41Å; F853-T856 PolarHBondContact O-N 2.83Å; T856-L859 PolarHBondContact O-N 3.45Å; T856-E860 WeakPolarHBondContact O-CB 3.17Å; T856-E860 PolarHBondContact O-N 3.43Å
857Q79.2Confident75.5Confident111 Ų111102.1 Ų102.152%0.51954%0.538SS..Hα-helixtrans-66.4-39.4178.9-162.9172.120.200112.2F853 L855 L861F853-Q857 WeakPolarHBondContact O-CB 3.31Å; F853-Q857 PolarHBondContact O-N 3.11Å; L855-Q857 VanDerWaalsContact C-N 3.32Å; L855-Q857 PolarHBondContact O-N 3.13Å; Q857-L861 WeakPolarHBondContact O-CB 3.33Å; Q857-L861 WeakPolarHBondContact O-CG 3.36Å; Q857-L861 PolarHBondContact O-N 2.8Å; Q857-L861 VanDerWaalsContact O-N 3.09Å
858Y84.9Confident77.5Confident147 Ų14798.7 Ų98.758%0.57652%0.52SS*.Hα-helixtrans-64.4-44.1172.1174.3-99.6000112.6A854 L855 L861 T862A854-Y858 WeakPolarHBondContact O-CB 3.41Å; A854-Y858 PolarHBondContact O-N 3.37Å; L855-Y858 PolarHBondContact O-N 3.07Å; Y858-L861 PolarHBondContact O-N 2.96Å; Y858-T862 WeakPolarHBondContact O-CB 3.49Å; Y858-T862 PolarHBondContact O-N 3.13Å; Y858-T862 PolarHBondContact O-OG1 3.25Å
859L85.9Confident79.5Confident98 Ų9897.7 Ų97.751%0.51352%0.517SS..Hα-helixtrans-64.7-41.1179.1-73.5169.1000111.8L855 T856 T862 K863L855-L859 HydrophobicContact CD2-CD1 4.44Å; L855-L859 HydrophobicContact CG-CD1 4.27Å; L855-L859 WeakPolarHBondContact O-CB 3.11Å; L855-L859 VanDerWaalsContact O-CG 3.26Å; L855-L859 WeakPolarHBondContact O-CG 3.17Å; L855-L859 PolarHBondContact O-N 3.45Å; T856-L859 PolarHBondContact O-N 3.45Å; L859-T862 PolarHBondContact O-N 2.99Å; L859-K863 WeakPolarHBondContact O-CB 3.37Å; L859-K863 PolarHBondContact O-N 3.21Å
860E83.6Confident81.3Confident100 Ų10097.4 Ų97.447%0.46750%0.503SS..Hα-helixtrans-69.2-38.4178.3-164.164-159.600111.9T856 K863 Q864T856-E860 WeakPolarHBondContact O-CB 3.17Å; T856-E860 PolarHBondContact O-N 3.43Å; E860-K863 PolarHBondContact O-N 2.94Å; E860-K863 IonicContact OE1-NZ 3.6Å; E860-K863 PolarHBondContact OE1-NZ 3.06Å; E860-K863 VanDerWaalsContact OE2-CD 3.28Å; E860-K863 WeakPolarHBondContact OE2-CD 3.18Å; E860-K863 IonicContact OE2-NZ 3.58Å; E860-K863 PolarHBondContact OE2-NZ 3.38Å; E860-Q864 PolarHBondContact O-N 3.44Å
861L85.6Confident82.5Confident121 Ų12197 Ų9763%0.63451%0.505SS*.Hα-helixtrans-62.8-43.7170.6-77.4167.7000112.4Q857 Y858 Q864 A865Q857-L861 WeakPolarHBondContact O-CB 3.33Å; Q857-L861 WeakPolarHBondContact O-CG 3.36Å; Q857-L861 PolarHBondContact O-N 2.8Å; Q857-L861 VanDerWaalsContact O-N 3.09Å; Y858-L861 PolarHBondContact O-N 2.96Å; L861-Q864 PolarHBondContact O-N 2.93Å; L861-A865 PolarHBondContact O-N 3.5Å
862T84.8Confident83.6Confident42 Ų4296.3 Ų96.326%0.25850%0.501SS..Hα-helixtrans-66.6-40.4179.7-53.90000111Y858 L859 A865 F866Y858-T862 WeakPolarHBondContact O-CB 3.49Å; Y858-T862 PolarHBondContact O-N 3.13Å; Y858-T862 PolarHBondContact O-OG1 3.25Å; L859-T862 PolarHBondContact O-N 2.99Å; T862-A865 PolarHBondContact O-N 2.85Å; T862-F866 HydrophobicContact CG2-CD2 4.05Å; T862-F866 HydrophobicContact CG2-CE2 3.77Å; T862-F866 VanDerWaalsContact O-CD2 3.23Å; T862-F866 WeakPolarHBondContact O-CD2 3.43Å; T862-F866 PolarHBondContact O-N 3.49Å; T862-F866 VanDerWaalsContact O-N 3.09Å
863K89.1Confident84Confident103 Ų10395 Ų9545%0.44849%0.489SS..Hα-helixtrans-59.5-46.1171.8171.2-163.4175-1630111.5L859 E860 A865 F866 M867L859-K863 WeakPolarHBondContact O-CB 3.37Å; L859-K863 PolarHBondContact O-N 3.21Å; E860-K863 PolarHBondContact O-N 2.94Å; E860-K863 IonicContact OE1-NZ 3.6Å; E860-K863 PolarHBondContact OE1-NZ 3.06Å; E860-K863 VanDerWaalsContact OE2-CD 3.28Å; E860-K863 WeakPolarHBondContact OE2-CD 3.18Å; E860-K863 IonicContact OE2-NZ 3.58Å; E860-K863 PolarHBondContact OE2-NZ 3.38Å; K863-A865 PolarHBondContact O-N 2.92Å; K863-F866 PolarHBondContact O-N 3.45Å; K863-M867 VanDerWaalsContact O-CG 3.32Å; K863-M867 WeakPolarHBondContact O-CG 3.41Å; K863-M867 PolarHBondContact O-N 2.69Å
864Q88.3Confident84.4Confident100 Ų10095 Ų9547%0.46749%0.491SS..Hα-helixtrans-59.6-48177-172.56246.700111.2E860 L861 F866 M867 D868E860-Q864 PolarHBondContact O-N 3.44Å; L861-Q864 PolarHBondContact O-N 2.93Å; Q864-F866 VanDerWaalsContact C-N 3.29Å; Q864-F866 PolarHBondContact O-N 3.49Å; Q864-M867 PolarHBondContact O-N 2.93Å; Q864-D868 PolarHBondContact NE2-OD1 2.98Å; Q864-D868 VanDerWaalsContact O-CG 3.25Å; Q864-D868 PolarHBondContact O-N 3.23Å
865A86Confident84.9Confident60 Ų6093.8 Ų93.850%0.49648%0.478SS..Hα-helixtrans-59.1-37177.900000113.2L861 T862 K863 H869L861-A865 PolarHBondContact O-N 3.5Å; T862-A865 PolarHBondContact O-N 2.85Å; K863-A865 PolarHBondContact O-N 2.92Å; A865-H869 WeakPolarHBondContact O-CB 3.35Å; A865-H869 PolarHBondContact O-N 3.25Å; A865-H869 VanDerWaalsContact O-N 3.15Å
866F89.3Confident85.6Confident108 Ų10894.9 Ų94.947%0.47449%0.49SS..Hα-helixtrans-67.8-40.7171.8-80.4-60.8000112.6T862 K863 Q864 H869 F870T862-F866 HydrophobicContact CG2-CD2 4.05Å; T862-F866 HydrophobicContact CG2-CE2 3.77Å; T862-F866 VanDerWaalsContact O-CD2 3.23Å; T862-F866 WeakPolarHBondContact O-CD2 3.43Å; T862-F866 PolarHBondContact O-N 3.49Å; T862-F866 VanDerWaalsContact O-N 3.09Å; K863-F866 PolarHBondContact O-N 3.45Å; Q864-F866 VanDerWaalsContact C-N 3.29Å; Q864-F866 PolarHBondContact O-N 3.49Å; F866-H869 WeakPolarHBondContact O-CB 3.25Å; F866-H869 PolarHBondContact O-N 3.31Å; F866-F870 WeakPolarHBondContact O-CD2 3.5Å; F866-F870 PolarHBondContact O-N 3.41Å
867M90.1Very high85.8Confident106 Ų10694.4 Ų94.452%0.52249%0.494SS..Hα-helixtrans-67.3-39178.5-66.9-63.8161.500112.3K863 Q864 H869 F870 A871K863-M867 VanDerWaalsContact O-CG 3.32Å; K863-M867 WeakPolarHBondContact O-CG 3.41Å; K863-M867 PolarHBondContact O-N 2.69Å; Q864-M867 PolarHBondContact O-N 2.93Å; M867-H869 VanDerWaalsContact C-N 3.3Å; M867-H869 PolarHBondContact O-N 2.83Å; M867-F870 PolarHBondContact O-N 2.96Å; M867-A871 WeakPolarHBondContact O-CB 3.43Å; M867-A871 PolarHBondContact O-N 3.14Å
868D85.2Confident86.2Confident91 Ų9193.4 Ų93.449%0.48749%0.486SS..Hα-helixtrans-62.7-38.9173.5-62.7-24.6000111Q864 A871 M872Q864-D868 PolarHBondContact NE2-OD1 2.98Å; Q864-D868 VanDerWaalsContact O-CG 3.25Å; Q864-D868 PolarHBondContact O-N 3.23Å; D868-A871 PolarHBondContact O-N 2.8Å; D868-M872 PolarHBondContact O-N 3.44Å
869H86.1Confident86.2Confident90 Ų9088.8 Ų88.842%0.41748%0.478SS..Hα-helixtrans-66.6-42.2173.6-174.3-97.7000112.4A865 F866 M867 A871 M872 L873A865-H869 WeakPolarHBondContact O-CB 3.35Å; A865-H869 PolarHBondContact O-N 3.25Å; A865-H869 VanDerWaalsContact O-N 3.15Å; F866-H869 WeakPolarHBondContact O-CB 3.25Å; F866-H869 PolarHBondContact O-N 3.31Å; M867-H869 VanDerWaalsContact C-N 3.3Å; M867-H869 PolarHBondContact O-N 2.83Å; H869-A871 VanDerWaalsContact C-N 3.34Å; H869-A871 PolarHBondContact O-N 3.49Å; H869-M872 WeakPolarHBondContact O-CB 3.46Å; H869-M872 PolarHBondContact O-N 2.96Å; H869-L873 WeakPolarHBondContact O-CG 3.26Å; H869-L873 PolarHBondContact O-N 3.13Å
870F87.3Confident86.2Confident98 Ų9887.7 Ų87.743%0.4348%0.479SS..Hα-helixtrans-62.5-39.9172.9-78.6-65.6000112.1F866 M867 M872 L873 H874F866-F870 WeakPolarHBondContact O-CD2 3.5Å; F866-F870 PolarHBondContact O-N 3.41Å; M867-F870 PolarHBondContact O-N 2.96Å; F870-M872 VanDerWaalsContact C-N 3.28Å; F870-M872 PolarHBondContact O-N 3.09Å; F870-L873 HydrophobicContact CD1-CD1 4.28Å; F870-L873 PolarHBondContact O-N 3.22Å; F870-H874 PolarHBondContact O-CD2 3.38Å; F870-H874 PolarHBondContact O-N 3.46Å
871A84Confident86.5Confident66 Ų6686.4 Ų86.455%0.54548%0.478SS..Hα-helixtrans-62-35.1173.600000112.3M867 D868 H869 S875M867-A871 WeakPolarHBondContact O-CB 3.43Å; M867-A871 PolarHBondContact O-N 3.14Å; D868-A871 PolarHBondContact O-N 2.8Å; H869-A871 VanDerWaalsContact C-N 3.34Å; H869-A871 PolarHBondContact O-N 3.49Å; A871-S875 PolarHBondContact O-N 3.26Å
872M85.4Confident86.6Confident102 Ų10283.3 Ų83.350%0.50246%0.461SS..Hα-helixtrans-65.2-48.4171.3-167.3-161.2-50.700111.9D868 H869 F870 H874 S875 Y878D868-M872 PolarHBondContact O-N 3.44Å; H869-M872 WeakPolarHBondContact O-CB 3.46Å; H869-M872 PolarHBondContact O-N 2.96Å; F870-M872 VanDerWaalsContact C-N 3.28Å; F870-M872 PolarHBondContact O-N 3.09Å; M872-H874 VanDerWaalsContact C-N 3.27Å; M872-H874 PolarHBondContact O-N 3.02Å; M872-S875 WeakPolarHBondContact O-CB 3.11Å; M872-S875 PolarHBondContact O-N 2.73Å; M872-Y878 VanDerWaalsContact O-CB 3.23Å; M872-Y878 WeakPolarHBondContact O-CB 3.39Å
873L86Confident86.7Confident64 Ų6487.8 Ų87.834%0.33548%0.479SS..Hα-helixtrans-61.4-33.8179.3-67.3178.5000112.8H869 F870 S875 Y878H869-L873 WeakPolarHBondContact O-CG 3.26Å; H869-L873 PolarHBondContact O-N 3.13Å; F870-L873 HydrophobicContact CD1-CD1 4.28Å; F870-L873 PolarHBondContact O-N 3.22Å; L873-S875 VanDerWaalsContact C-N 3.31Å; L873-Y878 HydrophobicContact CD2-CD1 4.06Å; L873-Y878 HydrophobicContact CD2-CE1 3.43Å; L873-Y878 VanDerWaalsContact CD2-CE1 3.43Å; L873-Y878 HydrophobicContact CD2-CE2 4.14Å; L873-Y878 VanDerWaalsContact CD2-CZ 3.49Å
874H84.2Confident86.8Confident157 Ų15785.7 Ų85.773%0.72748%0.478SS*.THydrogen-bonded Turntrans-80.9-4.6174.6-71.6-60000114.1F870 M872F870-H874 PolarHBondContact O-CD2 3.38Å; F870-H874 PolarHBondContact O-N 3.46Å; M872-H874 VanDerWaalsContact C-N 3.27Å; M872-H874 PolarHBondContact O-N 3.02Å
875S85.8Confident86.7Confident45 Ų4585.2 Ų85.232%0.31548%0.476SS..SBendtrans-74.9131.5179.2-176.50000111.8A871 M872 L873 A877 Y878 A879A871-S875 PolarHBondContact O-N 3.26Å; M872-S875 WeakPolarHBondContact O-CB 3.11Å; M872-S875 PolarHBondContact O-N 2.73Å; L873-S875 VanDerWaalsContact C-N 3.31Å; S875-A877 PolarHBondContact O-N 2.62Å; S875-A877 VanDerWaalsContact O-N 3.07Å; S875-A877 PolarHBondContact OG-N 3.44Å; S875-Y878 WeakPolarHBondContact O-CB 3.39Å; S875-Y878 PolarHBondContact O-N 3.21Å; S875-A879 PolarHBondContact O-N 3.48Å
876P87.5Confident86.9Confident112 Ų11287.3 Ų87.373%0.72748%0.478SS*.Hα-helixtrans-55.6-26.2172.3-26.735.4000113.9S880P876-S880 PolarHBondContact O-N 2.96Å; P876-S880 VanDerWaalsContact O-N 3.16Å
877A84.3Confident86.9Confident62 Ų6288.3 Ų88.351%0.51248%0.484SS..Hα-helixtrans-66.5-37175.200000112.4S875 S880 T881S875-A877 PolarHBondContact O-N 2.62Å; S875-A877 VanDerWaalsContact O-N 3.07Å; S875-A877 PolarHBondContact OG-N 3.44Å; A877-S880 PolarHBondContact O-N 2.81Å; A877-T881 PolarHBondContact O-N 3.32Å; A877-T881 VanDerWaalsContact O-N 3.11Å; A877-T881 PolarHBondContact O-OG1 3.4Å; A877-T881 VanDerWaalsContact O-OG1 3.08Å
878Y87.2Confident86.9Confident89 Ų8990.5 Ų90.535%0.34949%0.486SS..Hα-helixtrans-67.4-44.1177-179.3-100.5000111.1M872 L873 S875 S880 T881 I882M872-Y878 VanDerWaalsContact O-CB 3.23Å; M872-Y878 WeakPolarHBondContact O-CB 3.39Å; L873-Y878 HydrophobicContact CD2-CD1 4.06Å; L873-Y878 HydrophobicContact CD2-CE1 3.43Å; L873-Y878 VanDerWaalsContact CD2-CE1 3.43Å; L873-Y878 HydrophobicContact CD2-CE2 4.14Å; L873-Y878 VanDerWaalsContact CD2-CZ 3.49Å; S875-Y878 WeakPolarHBondContact O-CB 3.39Å; S875-Y878 PolarHBondContact O-N 3.21Å; Y878-S880 VanDerWaalsContact C-N 3.31Å; Y878-S880 PolarHBondContact O-N 3.25Å; Y878-T881 PolarHBondContact O-N 3.47Å; Y878-I882 HydrophobicContact CD1-CG1 4.17Å; Y878-I882 HydrophobicContact CE1-CD1 4.34Å; Y878-I882 HydrophobicContact CE1-CG1 3.72Å; Y878-I882 HydrophobicContact CE2-CD1 4.16Å; Y878-I882 HydrophobicContact CE2-CG1 4.13Å; Y878-I882 WeakPolarHBondContact O-CG1 3.24Å; Y878-I882 PolarHBondContact O-N 3Å
879A83.4Confident86.8Confident51 Ų5190.5 Ų90.542%0.42148%0.484SS..Hα-helixtrans-58.2-41.3175.600000112.6S875 Q883S875-A879 PolarHBondContact O-N 3.48Å; A879-Q883 WeakPolarHBondContact O-CG 3.26Å; A879-Q883 PolarHBondContact O-N 2.59Å
880S87.9Confident87.1Confident75 Ų7592.1 Ų92.152%0.52449%0.491SS..Hα-helixtrans-62.8-45.4175.1-173.10000112.5P876 A877 Y878 I882 Q883 S884P876-S880 PolarHBondContact O-N 2.96Å; P876-S880 VanDerWaalsContact O-N 3.16Å; A877-S880 PolarHBondContact O-N 2.81Å; Y878-S880 VanDerWaalsContact C-N 3.31Å; Y878-S880 PolarHBondContact O-N 3.25Å; S880-I882 PolarHBondContact O-N 3.09Å; S880-Q883 PolarHBondContact O-N 3.24Å; S880-S884 PolarHBondContact O-N 3.32Å; S880-S884 VanDerWaalsContact O-N 3.08Å
881T88.8Confident87.2Confident73 Ų7392 Ų9245%0.44850%0.495SS..Hα-helixtrans-59.8-48176.4-58.40000111.7A877 Y878 Q883 S884 E885A877-T881 PolarHBondContact O-N 3.32Å; A877-T881 VanDerWaalsContact O-N 3.11Å; A877-T881 PolarHBondContact O-OG1 3.4Å; A877-T881 VanDerWaalsContact O-OG1 3.08Å; Y878-T881 PolarHBondContact O-N 3.47Å; T881-Q883 VanDerWaalsContact C-N 3.32Å; T881-Q883 PolarHBondContact O-N 3.07Å; T881-S884 WeakPolarHBondContact O-CB 3.44Å; T881-S884 PolarHBondContact O-N 2.75Å; T881-S884 VanDerWaalsContact O-N 3.15Å; T881-E885 WeakPolarHBondContact O-CG 3.41Å; T881-E885 PolarHBondContact O-N 3.08Å
882I87.3Confident87.4Confident55 Ų5594.9 Ų94.928%0.28249%0.492SS..Hα-helixtrans-63.4-37179.4-64.9-62000111.7Y878 S880 E885 L886Y878-I882 HydrophobicContact CD1-CG1 4.17Å; Y878-I882 HydrophobicContact CE1-CD1 4.34Å; Y878-I882 HydrophobicContact CE1-CG1 3.72Å; Y878-I882 HydrophobicContact CE2-CD1 4.16Å; Y878-I882 HydrophobicContact CE2-CG1 4.13Å; Y878-I882 WeakPolarHBondContact O-CG1 3.24Å; Y878-I882 PolarHBondContact O-N 3Å; S880-I882 PolarHBondContact O-N 3.09Å; I882-E885 PolarHBondContact O-N 3.41Å; I882-L886 HydrophobicContact CG2-CD1 3.92Å; I882-L886 HydrophobicContact CG2-CG 4.33Å; I882-L886 WeakPolarHBondContact O-CB 3.21Å; I882-L886 VanDerWaalsContact O-CG 3.29Å; I882-L886 WeakPolarHBondContact O-CG 3.46Å; I882-L886 PolarHBondContact O-N 3.48Å
883Q87.4Confident87.6Confident136 Ų13694.9 Ų94.964%0.63649%0.49SS*.Hα-helixtrans-62.2-43.3173.1-75.1176.4-2.100112.1A879 S880 T881 E885 L886 E887A879-Q883 WeakPolarHBondContact O-CG 3.26Å; A879-Q883 PolarHBondContact O-N 2.59Å; S880-Q883 PolarHBondContact O-N 3.24Å; T881-Q883 VanDerWaalsContact C-N 3.32Å; T881-Q883 PolarHBondContact O-N 3.07Å; Q883-E885 VanDerWaalsContact C-N 3.32Å; Q883-E885 PolarHBondContact O-N 2.78Å; Q883-L886 PolarHBondContact O-N 3.32Å; Q883-E887 WeakPolarHBondContact O-CB 3.35Å; Q883-E887 PolarHBondContact O-N 3.46Å
884S90.2Very high87.9Confident60 Ų6093.9 Ų93.942%0.4249%0.492SS..Hα-helixtrans-64.7-33.4176-175.80000113.2S880 T881 R888S880-S884 PolarHBondContact O-N 3.32Å; S880-S884 VanDerWaalsContact O-N 3.08Å; T881-S884 WeakPolarHBondContact O-CB 3.44Å; T881-S884 PolarHBondContact O-N 2.75Å; T881-S884 VanDerWaalsContact O-N 3.15Å; S884-R888 WeakPolarHBondContact O-CB 3.34Å; S884-R888 PolarHBondContact O-N 3.44Å
885E88.1Confident88.2Confident90 Ų9092.6 Ų92.642%0.42149%0.486SS..Hα-helixtrans-75.2-39.9176.7-69.4-174.4156.500112.4T881 I882 Q883 R888 E889T881-E885 WeakPolarHBondContact O-CG 3.41Å; T881-E885 PolarHBondContact O-N 3.08Å; I882-E885 PolarHBondContact O-N 3.41Å; Q883-E885 VanDerWaalsContact C-N 3.32Å; Q883-E885 PolarHBondContact O-N 2.78Å; E885-R888 WeakPolarHBondContact O-CB 3.38Å; E885-R888 PolarHBondContact O-N 3.27Å; E885-E889 PolarHBondContact O-N 3.23Å
886L88.4Confident88.2Confident103 Ų10394.7 Ų94.754%0.53949%0.493SS..Hα-helixtrans-62.1-42.3173.2-73.6168.7000112.3I882 Q883 R888 E889 H890I882-L886 HydrophobicContact CG2-CD1 3.92Å; I882-L886 HydrophobicContact CG2-CG 4.33Å; I882-L886 WeakPolarHBondContact O-CB 3.21Å; I882-L886 VanDerWaalsContact O-CG 3.29Å; I882-L886 WeakPolarHBondContact O-CG 3.46Å; I882-L886 PolarHBondContact O-N 3.48Å; Q883-L886 PolarHBondContact O-N 3.32Å; L886-R888 VanDerWaalsContact C-N 3.35Å; L886-E889 PolarHBondContact O-N 3.37Å; L886-H890 WeakPolarHBondContact O-CB 3.36Å; L886-H890 PolarHBondContact O-N 3.13Å
887E89.6Confident88.3Confident130 Ų13093.9 Ų93.961%0.60748%0.482SS*.Hα-helixtrans-66-37.9176.8-173.1171-141.200111.8Q883 N891Q883-E887 WeakPolarHBondContact O-CB 3.35Å; Q883-E887 PolarHBondContact O-N 3.46Å; E887-N891 PolarHBondContact O-N 3.31Å; E887-N891 VanDerWaalsContact O-N 3.11Å; E887-N891 PolarHBondContact O-ND2 3.26Å
888R90.2Very high88.7Confident151 Ų15197.8 Ų97.857%0.5749%0.488SS*.Hα-helixtrans-63.4-43.3174.6-162.2-175.1-49.7148.213.8111.8S884 E885 L886 N891 R892S884-R888 WeakPolarHBondContact O-CB 3.34Å; S884-R888 PolarHBondContact O-N 3.44Å; E885-R888 WeakPolarHBondContact O-CB 3.38Å; E885-R888 PolarHBondContact O-N 3.27Å; L886-R888 VanDerWaalsContact C-N 3.35Å; R888-N891 PolarHBondContact O-N 3.26Å; R888-R892 PolarHBondContact O-N 3.44Å; R888-R892 VanDerWaalsContact O-N 3.08Å
889E84.1Confident88.7Confident92 Ų9297.3 Ų97.343%0.4349%0.489SS..Hα-helixtrans-70.7-38.4178.9-17757.9-164.600112.4E885 L886 N891 R892 Q893E885-E889 PolarHBondContact O-N 3.23Å; L886-E889 PolarHBondContact O-N 3.37Å; E889-N891 VanDerWaalsContact C-N 3.33Å; E889-N891 PolarHBondContact O-N 3.22Å; E889-R892 WeakPolarHBondContact O-CB 3.05Å; E889-R892 PolarHBondContact O-N 2.91Å; E889-R892 IonicContact OE1-CZ 2.63Å; E889-R892 IonicContact OE1-NE 3.42Å; E889-R892 PolarHBondContact OE1-NE 3.41Å; E889-R892 IonicContact OE1-NH2 2.81Å; E889-R892 PolarHBondContact OE1-NH2 3.25Å; E889-R892 IonicContact OE2-CZ 3.06Å; E889-R892 IonicContact OE2-NE 3.28Å; E889-R892 PolarHBondContact OE2-NE 2.97Å; E889-R892 IonicContact OE2-NH2 3.3Å; E889-R892 PolarHBondContact OE2-NH2 3.02Å; E889-Q893 WeakPolarHBondContact O-CB 3.49Å; E889-Q893 PolarHBondContact O-N 3.38Å
890H91.3Very high89Confident123 Ų12398.2 Ų98.257%0.56949%0.489SS*.Hα-helixtrans-60.3-41.2172.4-95-54.3000112.6L886 Q893 A894L886-H890 WeakPolarHBondContact O-CB 3.36Å; L886-H890 PolarHBondContact O-N 3.13Å; H890-Q893 PolarHBondContact O-N 2.97Å; H890-A894 WeakPolarHBondContact O-CB 3.46Å; H890-A894 PolarHBondContact O-N 2.94Å
891N90.9Very high89.1Confident96 Ų96100.7 Ų100.751%0.51349%0.49SS..Hα-helixtrans-63.9-45.1174.7-78.1-61.7000111.5E887 R888 E889 Q893 A894 E895E887-N891 PolarHBondContact O-N 3.31Å; E887-N891 VanDerWaalsContact O-N 3.11Å; E887-N891 PolarHBondContact O-ND2 3.26Å; R888-N891 PolarHBondContact O-N 3.26Å; E889-N891 VanDerWaalsContact C-N 3.33Å; E889-N891 PolarHBondContact O-N 3.22Å; N891-Q893 VanDerWaalsContact C-N 3.32Å; N891-Q893 PolarHBondContact O-N 3.42Å; N891-A894 WeakPolarHBondContact O-CB 3.37Å; N891-A894 PolarHBondContact O-N 3.39Å; N891-A894 VanDerWaalsContact O-N 3.13Å; N891-E895 PolarHBondContact O-N 2.98Å; N891-E895 VanDerWaalsContact O-N 3.08Å
892R87.9Confident89.2Confident127 Ų127103.4 Ų103.448%0.47950%0.496SS..Hα-helixtrans-58.2-42.1174.9-164.6-175.475.389.82.9112.3R888 E889 E895 L896R888-R892 PolarHBondContact O-N 3.44Å; R888-R892 VanDerWaalsContact O-N 3.08Å; E889-R892 WeakPolarHBondContact O-CB 3.05Å; E889-R892 PolarHBondContact O-N 2.91Å; E889-R892 IonicContact OE1-CZ 2.63Å; E889-R892 IonicContact OE1-NE 3.42Å; E889-R892 PolarHBondContact OE1-NE 3.41Å; E889-R892 IonicContact OE1-NH2 2.81Å; E889-R892 PolarHBondContact OE1-NH2 3.25Å; E889-R892 IonicContact OE2-CZ 3.06Å; E889-R892 IonicContact OE2-NE 3.28Å; E889-R892 PolarHBondContact OE2-NE 2.97Å; E889-R892 IonicContact OE2-NH2 3.3Å; E889-R892 PolarHBondContact OE2-NH2 3.02Å; R892-E895 PolarHBondContact O-N 3.43Å; R892-L896 WeakPolarHBondContact O-CG 3.28Å; R892-L896 PolarHBondContact O-N 3.02Å; R892-L896 VanDerWaalsContact O-N 3.13Å
893Q88.8Confident89.3Confident101 Ų101104.8 Ų104.847%0.47250%0.503SS..Hα-helixtrans-64-40.6176-168.2-175.126.400111.9E889 H890 N891 E895 L896 L897E889-Q893 WeakPolarHBondContact O-CB 3.49Å; E889-Q893 PolarHBondContact O-N 3.38Å; H890-Q893 PolarHBondContact O-N 2.97Å; N891-Q893 VanDerWaalsContact C-N 3.32Å; N891-Q893 PolarHBondContact O-N 3.42Å; Q893-E895 VanDerWaalsContact C-N 3.33Å; Q893-E895 PolarHBondContact O-N 3.17Å; Q893-L896 PolarHBondContact O-N 3.39Å; Q893-L897 HydrophobicContact CG-CD1 4.25Å; Q893-L897 WeakPolarHBondContact O-CB 3.47Å; Q893-L897 WeakPolarHBondContact O-CG 3.47Å; Q893-L897 PolarHBondContact O-N 2.66Å
894A91.6Very high89.4Confident44 Ų44103.8 Ų103.836%0.36450%0.499SS..Hα-helixtrans-66.5-31.9178.300000113.1H890 N891 K898H890-A894 WeakPolarHBondContact O-CB 3.46Å; H890-A894 PolarHBondContact O-N 2.94Å; N891-A894 WeakPolarHBondContact O-CB 3.37Å; N891-A894 PolarHBondContact O-N 3.39Å; N891-A894 VanDerWaalsContact O-N 3.13Å; A894-K898 WeakPolarHBondContact O-CG 3.42Å; A894-K898 PolarHBondContact O-N 2.96Å
895E91.1Very high89.4Confident129 Ų129107.5 Ų107.560%0.60351%0.51SS*.Hα-helixtrans-71.7-46.5173.4-69.5-176.8158.100112.3N891 R892 Q893 L897 K898 H899N891-E895 PolarHBondContact O-N 2.98Å; N891-E895 VanDerWaalsContact O-N 3.08Å; R892-E895 PolarHBondContact O-N 3.43Å; Q893-E895 VanDerWaalsContact C-N 3.33Å; Q893-E895 PolarHBondContact O-N 3.17Å; E895-L897 VanDerWaalsContact C-N 3.29Å; E895-L897 PolarHBondContact O-N 3.45Å; E895-K898 WeakPolarHBondContact O-CB 3.49Å; E895-K898 PolarHBondContact O-N 3.26Å; E895-H899 PolarHBondContact O-N 3.45Å
896L86.3Confident89.4Confident90 Ų90105.3 Ų105.347%0.47150%0.504SS..Hα-helixtrans-57.1-43.2175.7-70.6169.9000111.5R892 Q893 K898 H899 T900R892-L896 WeakPolarHBondContact O-CG 3.28Å; R892-L896 PolarHBondContact O-N 3.02Å; R892-L896 VanDerWaalsContact O-N 3.13Å; Q893-L896 PolarHBondContact O-N 3.39Å; L896-K898 VanDerWaalsContact C-N 3.29Å; L896-K898 PolarHBondContact O-N 3.23Å; L896-H899 PolarHBondContact O-N 2.99Å; L896-H899 VanDerWaalsContact O-N 3.12Å; L896-T900 PolarHBondContact O-N 3.45Å; L896-T900 PolarHBondContact O-OG1 2.86Å; L896-T900 VanDerWaalsContact O-OG1 3.08Å
897L90.2Very high89.4Confident95 Ų95104.6 Ų104.650%0.49750%0.5SS..Hα-helixtrans-66.1-24.4176.8-72.8170.3000114.2Q893 E895 K901Q893-L897 HydrophobicContact CG-CD1 4.25Å; Q893-L897 WeakPolarHBondContact O-CB 3.47Å; Q893-L897 WeakPolarHBondContact O-CG 3.47Å; Q893-L897 PolarHBondContact O-N 2.66Å; E895-L897 VanDerWaalsContact C-N 3.29Å; E895-L897 PolarHBondContact O-N 3.45Å; L897-K901 WeakPolarHBondContact O-CD 3.44Å; L897-K901 WeakPolarHBondContact O-CG 3.42Å
898K91Very high89.4Confident144 Ų144101.4 Ų101.463%0.62650%0.495SS*.Hα-helixtrans-74-44.7169.1-68.5164.8-171.5167.60110.4A894 E895 L896 K901 F902A894-K898 WeakPolarHBondContact O-CG 3.42Å; A894-K898 PolarHBondContact O-N 2.96Å; E895-K898 WeakPolarHBondContact O-CB 3.49Å; E895-K898 PolarHBondContact O-N 3.26Å; L896-K898 VanDerWaalsContact C-N 3.29Å; L896-K898 PolarHBondContact O-N 3.23Å; K898-K901 PolarHBondContact O-N 2.88Å; K898-F902 PolarHBondContact O-N 2.93Å; K898-F902 VanDerWaalsContact O-N 3.14Å
899H89Confident89.4Confident79 Ų79100.6 Ų100.637%0.36650%0.496SS..Hα-helixtrans-62.8-44.2-179.2-164.2114.6000111.7E895 L896 K901 F902 L903E895-H899 PolarHBondContact O-N 3.45Å; L896-H899 PolarHBondContact O-N 2.99Å; L896-H899 VanDerWaalsContact O-N 3.12Å; H899-K901 PolarHBondContact O-N 3.07Å; H899-F902 PolarHBondContact O-N 2.86Å; H899-L903 PolarHBondContact O-N 2.84Å
900T87.9Confident89.6Confident70 Ų70102 Ų10243%0.42951%0.506SS..Hα-helixtrans-55.2-49.4175.3-54.90000111.7L896 F902 L903 E904L896-T900 PolarHBondContact O-N 3.45Å; L896-T900 PolarHBondContact O-OG1 2.86Å; L896-T900 VanDerWaalsContact O-OG1 3.08Å; T900-F902 VanDerWaalsContact C-N 3.29Å; T900-F902 PolarHBondContact O-N 3.46Å; T900-L903 PolarHBondContact O-N 3.48Å; T900-L903 VanDerWaalsContact O-N 3.16Å; T900-E904 HydrophobicContact CG2-CG 4.48Å; T900-E904 WeakPolarHBondContact O-CG 3.46Å; T900-E904 PolarHBondContact O-N 3.41Å
901K90.5Very high89.3Confident127 Ų127102.2 Ų102.255%0.55251%0.507SS*.Hα-helixtrans-62.9-33.4179.8-70.6174.4-178.5177.70113.2L897 K898 H899 Q905L897-K901 WeakPolarHBondContact O-CD 3.44Å; L897-K901 WeakPolarHBondContact O-CG 3.42Å; K898-K901 PolarHBondContact O-N 2.88Å; H899-K901 PolarHBondContact O-N 3.07Å; K901-Q905 VanDerWaalsContact O-CG 3.29Å; K901-Q905 WeakPolarHBondContact O-CG 3.13Å; K901-Q905 PolarHBondContact O-N 3.44Å; K901-Q905 VanDerWaalsContact O-N 3.16Å
902F92.3Very high89Confident130 Ų130101 Ų10157%0.5751%0.506SS*.Hα-helixtrans-69.4-40.4175.1177.4-98.5000112.2K898 H899 T900 S906K898-F902 PolarHBondContact O-N 2.93Å; K898-F902 VanDerWaalsContact O-N 3.14Å; H899-F902 PolarHBondContact O-N 2.86Å; T900-F902 VanDerWaalsContact C-N 3.29Å; T900-F902 PolarHBondContact O-N 3.46Å; F902-S906 WeakPolarHBondContact O-CB 3.44Å; F902-S906 PolarHBondContact O-N 3.05Å; F902-S906 PolarHBondContact O-OG 3.2Å
903L87.8Confident88.9Confident83 Ų8399.1 Ų99.144%0.43551%0.505SS..Hα-helixtrans-66.1-43.6174.1-67.7179.2000111.9H899 T900 Q905 S906 I907H899-L903 PolarHBondContact O-N 2.84Å; T900-L903 PolarHBondContact O-N 3.48Å; T900-L903 VanDerWaalsContact O-N 3.16Å; L903-Q905 VanDerWaalsContact C-N 3.34Å; L903-Q905 PolarHBondContact O-N 3.26Å; L903-S906 PolarHBondContact O-N 3.41Å; L903-S906 VanDerWaalsContact O-N 3.12Å; L903-I907 VanDerWaalsContact O-CG1 3.3Å; L903-I907 WeakPolarHBondContact O-CG1 3.42Å; L903-I907 PolarHBondContact O-N 3.35Å
904E89.3Confident88.6Confident116 Ų11696.2 Ų96.254%0.54250%0.502SS..Hα-helixtrans-56.1-46.4175.6-72.2171.6158.200112T900 S906 I907 A908T900-E904 HydrophobicContact CG2-CG 4.48Å; T900-E904 WeakPolarHBondContact O-CG 3.46Å; T900-E904 PolarHBondContact O-N 3.41Å; E904-S906 VanDerWaalsContact C-N 3.35Å; E904-S906 PolarHBondContact O-N 3.05Å; E904-I907 PolarHBondContact O-N 3.35Å; E904-A908 WeakPolarHBondContact O-CB 3.37Å; E904-A908 PolarHBondContact O-N 3.29Å
905Q90.8Very high88.2Confident138 Ų13897.9 Ų97.965%0.64551%0.508SS*.Hα-helixtrans-64.5-37.8175.9-71.7174.411.900112.5K901 L903 K909K901-Q905 VanDerWaalsContact O-CG 3.29Å; K901-Q905 WeakPolarHBondContact O-CG 3.13Å; K901-Q905 PolarHBondContact O-N 3.44Å; K901-Q905 VanDerWaalsContact O-N 3.16Å; L903-Q905 VanDerWaalsContact C-N 3.34Å; L903-Q905 PolarHBondContact O-N 3.26Å; Q905-K909 PolarHBondContact O-N 2.98Å
906S89.1Confident87.8Confident43 Ų4395 Ų9530%0.30150%0.497SS..Hα-helixtrans-68.3-42178.4-60.10000112.1F902 L903 E904 K909 L910F902-S906 WeakPolarHBondContact O-CB 3.44Å; F902-S906 PolarHBondContact O-N 3.05Å; F902-S906 PolarHBondContact O-OG 3.2Å; L903-S906 PolarHBondContact O-N 3.41Å; L903-S906 VanDerWaalsContact O-N 3.12Å; E904-S906 VanDerWaalsContact C-N 3.35Å; E904-S906 PolarHBondContact O-N 3.05Å; S906-K909 PolarHBondContact O-N 2.84Å; S906-L910 WeakPolarHBondContact O-CG 3.21Å; S906-L910 PolarHBondContact O-N 3.21Å
907I88.4Confident87.7Confident89 Ų8996.4 Ų96.446%0.45650%0.504SS..Hα-helixtrans-64.1-46174.7-67.6163.3000110.5L903 E904 K909 L910 H911L903-I907 VanDerWaalsContact O-CG1 3.3Å; L903-I907 WeakPolarHBondContact O-CG1 3.42Å; L903-I907 PolarHBondContact O-N 3.35Å; E904-I907 PolarHBondContact O-N 3.35Å; I907-K909 VanDerWaalsContact C-N 3.28Å; I907-K909 PolarHBondContact O-N 2.8Å; I907-L910 PolarHBondContact O-N 2.97Å; I907-L910 VanDerWaalsContact O-N 3.17Å; I907-H911 PolarHBondContact O-CD2 2.82Å; I907-H911 PolarHBondContact O-N 3.47Å
908A88.8Confident87.2Confident62 Ų6295.3 Ų95.351%0.51250%0.498SS..Hα-helixtrans-58.3-40.2176.900000112.3E904 S912E904-A908 WeakPolarHBondContact O-CB 3.37Å; E904-A908 PolarHBondContact O-N 3.29Å; A908-S912 PolarHBondContact O-N 3Å; A908-S912 VanDerWaalsContact O-N 3.11Å
909K89.6Confident86.6Confident135 Ų13592.5 Ų92.559%0.58749%0.49SS*.Hα-helixtrans-64.6-47.4173.9-173-175.5173.1-171.40112.1Q905 S906 I907 H911 S912 D913Q905-K909 PolarHBondContact O-N 2.98Å; S906-K909 PolarHBondContact O-N 2.84Å; I907-K909 VanDerWaalsContact C-N 3.28Å; I907-K909 PolarHBondContact O-N 2.8Å; K909-H911 VanDerWaalsContact C-N 3.29Å; K909-H911 PolarHBondContact O-N 3.16Å; K909-S912 WeakPolarHBondContact O-CA 3.23Å; K909-S912 WeakPolarHBondContact O-CB 3.41Å; K909-S912 PolarHBondContact O-N 2.89Å; K909-D913 WeakPolarHBondContact CE-OD2 3.42Å; K909-D913 PolarHBondContact O-N 2.83Å
910L88.8Confident86.3Confident120 Ų12096.7 Ų96.763%0.62850%0.503SS*.Hα-helixtrans-60.7-36.9178.5-73.3169.2000112.4S906 I907 G914S906-L910 WeakPolarHBondContact O-CG 3.21Å; S906-L910 PolarHBondContact O-N 3.21Å; I907-L910 PolarHBondContact O-N 2.97Å; I907-L910 VanDerWaalsContact O-N 3.17Å; L910-G914 PolarHBondContact O-N 3.21Å
911H84.4Confident85.7Confident129 Ų12998.6 Ų98.660%0.59751%0.505SS*.Hα-helixtrans-65.6-38.5173.2-71.2-171.2000112.2I907 K909 T915I907-H911 PolarHBondContact O-CD2 2.82Å; I907-H911 PolarHBondContact O-N 3.47Å; K909-H911 VanDerWaalsContact C-N 3.29Å; K909-H911 PolarHBondContact O-N 3.16Å; H911-T915 WeakPolarHBondContact O-CB 3.42Å; H911-T915 WeakPolarHBondContact O-CG2 3.25Å; H911-T915 PolarHBondContact O-N 3.06Å; H911-T915 PolarHBondContact O-OG1 3.36Å
912S85.5Confident85.1Confident70 Ų7092.8 Ų92.849%0.4948%0.48SS..Hα-helixtrans-64.7-51.8173.4-168.40000111.7A908 K909 G914 T915 D916A908-S912 PolarHBondContact O-N 3Å; A908-S912 VanDerWaalsContact O-N 3.11Å; K909-S912 WeakPolarHBondContact O-CA 3.23Å; K909-S912 WeakPolarHBondContact O-CB 3.41Å; K909-S912 PolarHBondContact O-N 2.89Å; S912-G914 VanDerWaalsContact C-N 3.29Å; S912-G914 PolarHBondContact O-N 3.32Å; S912-T915 PolarHBondContact O-N 3.15Å; S912-T915 PolarHBondContact O-OG1 3.3Å; S912-T915 VanDerWaalsContact O-OG1 3.12Å; S912-D916 WeakPolarHBondContact O-CB 3.39Å; S912-D916 PolarHBondContact O-N 3.4Å
913D85.4Confident84.6Confident88 Ų8895.4 Ų95.447%0.47149%0.491SS..Hα-helixtrans-62-37.9-179.3-70.6-25.6000111.4K909 L917K909-D913 WeakPolarHBondContact CE-OD2 3.42Å; K909-D913 PolarHBondContact O-N 2.83Å; D913-L917 WeakPolarHBondContact O-CB 3.1Å; D913-L917 PolarHBondContact O-N 2.87Å
914G83Confident84.2Confident39 Ų39101.8 Ų101.840%0.40251%0.51SS..Hα-helixtrans-69.9-43.4177.100000114.3L910 S912 L917 L918L910-G914 PolarHBondContact O-N 3.21Å; S912-G914 VanDerWaalsContact C-N 3.29Å; S912-G914 PolarHBondContact O-N 3.32Å; G914-L917 PolarHBondContact O-N 3.5Å; G914-L918 WeakPolarHBondContact O-CB 3.32Å; G914-L918 PolarHBondContact O-N 3.02Å
915T82.2Confident83.5Confident79 Ų7999.6 Ų99.649%0.48550%0.502SS..Hα-helixtrans-68.2-35.5176.447.40000111.9H911 S912 L918 N919H911-T915 WeakPolarHBondContact O-CB 3.42Å; H911-T915 WeakPolarHBondContact O-CG2 3.25Å; H911-T915 PolarHBondContact O-N 3.06Å; H911-T915 PolarHBondContact O-OG1 3.36Å; S912-T915 PolarHBondContact O-N 3.15Å; S912-T915 PolarHBondContact O-OG1 3.3Å; S912-T915 VanDerWaalsContact O-OG1 3.12Å; T915-L918 PolarHBondContact O-N 2.74Å; T915-N919 WeakPolarHBondContact O-CB 3.21Å; T915-N919 PolarHBondContact O-N 3.12Å; T915-N919 PolarHBondContact O-ND2 3.06Å
916D83.3Confident82.6Confident69 Ų6995.7 Ų95.737%0.36950%0.498SS..Hα-helixtrans-69.8-37.2176.4-150.160000112S912 R920S912-D916 WeakPolarHBondContact O-CB 3.39Å; S912-D916 PolarHBondContact O-N 3.4Å; D916-R920 WeakPolarHBondContact O-CD 3.19Å; D916-R920 WeakPolarHBondContact O-CG 3.15Å; D916-R920 PolarHBondContact O-N 2.85Å; D916-R920 VanDerWaalsContact O-N 3.08Å; D916-R920 IonicContact OD2-CZ 2.7Å; D916-R920 IonicContact OD2-NE 3.76Å; D916-R920 PolarHBondContact OD2-NE 3.34Å; D916-R920 IonicContact OD2-NH2 3.21Å; D916-R920 PolarHBondContact OD2-NH2 3.1Å
917L84.6Confident81.8Confident120 Ų12094 Ų9463%0.62849%0.486SS*.Hα-helixtrans-63.6-43.3170.8-177.262000112.2D913 G914 R920 F921D913-L917 WeakPolarHBondContact O-CB 3.1Å; D913-L917 PolarHBondContact O-N 2.87Å; G914-L917 PolarHBondContact O-N 3.5Å; L917-R920 PolarHBondContact O-N 3.36Å; L917-F921 WeakPolarHBondContact O-CB 3.41Å; L917-F921 PolarHBondContact O-N 3.33Å
918L79.2Confident80.7Confident71 Ų7197 Ų9737%0.37250%0.501SS..Hα-helixtrans-61.3-46.7176.1-179.961.5000111.5G914 T915 R920 F921 T922 F935G914-L918 WeakPolarHBondContact O-CB 3.32Å; G914-L918 PolarHBondContact O-N 3.02Å; T915-L918 PolarHBondContact O-N 2.74Å; L918-R920 VanDerWaalsContact C-N 3.31Å; L918-R920 PolarHBondContact O-N 2.71Å; L918-F921 WeakPolarHBondContact O-CA 3.1Å; L918-F921 WeakPolarHBondContact O-CB 3.41Å; L918-F921 PolarHBondContact O-N 3.2Å; L918-T922 HydrophobicContact CD1-CG2 4.13Å; L918-T922 HydrophobicContact CG-CG2 4.49Å; L918-T922 PolarHBondContact O-N 3.33Å; L918-T922 PolarHBondContact O-OG1 3.45Å; L918-T922 VanDerWaalsContact O-OG1 3.14Å; L918-F935 HydrophobicContact CD1-CE2 3.95Å; L918-F935 HydrophobicContact CD1-CZ 3.99Å
919N79.4Confident79.5Confident85 Ų8597.3 Ų97.346%0.45549%0.494SS..Hα-helixtrans-61.3-36.2177.4-77.4-33.8000112.9T915 T922 K923T915-N919 WeakPolarHBondContact O-CB 3.21Å; T915-N919 PolarHBondContact O-N 3.12Å; T915-N919 PolarHBondContact O-ND2 3.06Å; N919-T922 PolarHBondContact O-OG1 3.26Å; N919-K923 WeakPolarHBondContact O-CB 3.2Å; N919-K923 PolarHBondContact O-N 3.02Å
920R82.4Confident78.5Confident168 Ų16893.5 Ų93.563%0.63448%0.482SS*.Hα-helixtrans-68.2-36.2172.9-66.9164.7-166.2-156.45.9111.7D916 L917 L918 R924D916-R920 WeakPolarHBondContact O-CD 3.19Å; D916-R920 WeakPolarHBondContact O-CG 3.15Å; D916-R920 PolarHBondContact O-N 2.85Å; D916-R920 VanDerWaalsContact O-N 3.08Å; D916-R920 IonicContact OD2-CZ 2.7Å; D916-R920 IonicContact OD2-NE 3.76Å; D916-R920 PolarHBondContact OD2-NE 3.34Å; D916-R920 IonicContact OD2-NH2 3.21Å; D916-R920 PolarHBondContact OD2-NH2 3.1Å; L917-R920 PolarHBondContact O-N 3.36Å; L918-R920 VanDerWaalsContact C-N 3.31Å; L918-R920 PolarHBondContact O-N 2.71Å; R920-R924 VanDerWaalsContact O-CB 3.29Å; R920-R924 WeakPolarHBondContact O-CB 3.4Å; R920-R924 PolarHBondContact O-N 3Å
921F75.8Confident77.6Confident109 Ų10989.5 Ų89.548%0.47846%0.463SS..Hα-helixtrans-71.8-46.8179.3-175.5-108000112.7L917 L918 R924 L925L917-F921 WeakPolarHBondContact O-CB 3.41Å; L917-F921 PolarHBondContact O-N 3.33Å; L918-F921 WeakPolarHBondContact O-CA 3.1Å; L918-F921 WeakPolarHBondContact O-CB 3.41Å; L918-F921 PolarHBondContact O-N 3.2Å; F921-R924 WeakPolarHBondContact O-CB 3.12Å; F921-R924 PolarHBondContact O-N 2.67Å; F921-L925 HydrophobicContact CD1-CD1 3.95Å; F921-L925 HydrophobicContact CE1-CD1 3.4Å; F921-L925 VanDerWaalsContact CE1-CD1 3.4Å; F921-L925 HydrophobicContact CE1-CG 4.39Å; F921-L925 HydrophobicContact CE2-CD1 4.27Å; F921-L925 HydrophobicContact CZ-CD1 3.59Å; F921-L925 HydrophobicContact CZ-CG 4.36Å; F921-L925 PolarHBondContact O-N 3.47Å
922T77.8Confident77Confident5 Ų588 Ų883%0.03147%0.465CS..Hα-helixtrans-65.4-43.117852.20000112.2L918 N919 R924 L925 G926 I927 I929 F935L918-T922 HydrophobicContact CD1-CG2 4.13Å; L918-T922 HydrophobicContact CG-CG2 4.49Å; L918-T922 PolarHBondContact O-N 3.33Å; L918-T922 PolarHBondContact O-OG1 3.45Å; L918-T922 VanDerWaalsContact O-OG1 3.14Å; N919-T922 PolarHBondContact O-OG1 3.26Å; T922-R924 PolarHBondContact O-N 3.16Å; T922-L925 CarbonylContact O-C 3.12Å; T922-L925 PolarHBondContact O-N 2.62Å; T922-G926 PolarHBondContact O-N 3.02Å; T922-I927 HydrophobicContact CG2-CB 4.25Å; T922-I927 HydrophobicContact CG2-CG2 4.44Å; T922-I927 PolarHBondContact O-N 3.48Å; T922-I929 HydrophobicContact CG2-CD1 3.68Å; T922-I929 HydrophobicContact CG2-CG1 3.93Å; T922-F935 HydrophobicContact CG2-CD2 3.68Å; T922-F935 HydrophobicContact CG2-CE2 3.62Å
923K80.7Confident76.1Confident185 Ų18587.7 Ų87.780%0.80447%0.466SS*.Hα-helixtrans-60.2-32.5172.6-172.3169.6-175.4170.20112.9N919N919-K923 WeakPolarHBondContact O-CB 3.2Å; N919-K923 PolarHBondContact O-N 3.02Å
924R79.4Confident75.5Confident217 Ų21784.6 Ų84.682%0.81945%0.453SS*.Hα-helixtrans-76.1-26.2174172175.7161.7170.8-6113.4R920 F921 T922R920-R924 VanDerWaalsContact O-CB 3.29Å; R920-R924 WeakPolarHBondContact O-CB 3.4Å; R920-R924 PolarHBondContact O-N 3Å; F921-R924 WeakPolarHBondContact O-CB 3.12Å; F921-R924 PolarHBondContact O-N 2.67Å; T922-R924 PolarHBondContact O-N 3.16Å
925L74.3Confident75Confident71 Ų7184.5 Ų84.537%0.37244%0.441SS..Hα-helixtrans-91.2-6176.4-72.7-177.9000114.3F921 T922 I927 L942F921-L925 HydrophobicContact CD1-CD1 3.95Å; F921-L925 HydrophobicContact CE1-CD1 3.4Å; F921-L925 VanDerWaalsContact CE1-CD1 3.4Å; F921-L925 HydrophobicContact CE1-CG 4.39Å; F921-L925 HydrophobicContact CE2-CD1 4.27Å; F921-L925 HydrophobicContact CZ-CD1 3.59Å; F921-L925 HydrophobicContact CZ-CG 4.36Å; F921-L925 PolarHBondContact O-N 3.47Å; T922-L925 CarbonylContact O-C 3.12Å; T922-L925 PolarHBondContact O-N 2.62Å; L925-I927 VanDerWaalsContact C-N 3.32Å; L925-I927 HydrophobicContact CB-CD1 3.94Å; L925-I927 HydrophobicContact CB-CG1 3.8Å; L925-I927 HydrophobicContact CD1-CD1 3.83Å; L925-L942 HydrophobicContact CB-CD1 4.45Å; L925-L942 HydrophobicContact CD1-CD1 4.19Å
926G72.3Confident74.7Confident55 Ų5586 Ų8657%0.56744%0.441SS*.THydrogen-bonded Turntrans68.731.7-172.500000112.9T922 Q938T922-G926 PolarHBondContact O-N 3.02Å; G926-Q938 PolarHBondContact O-NE2 3.29Å
927I72.9Confident74.2Confident8 Ų885.8 Ų85.84%0.04145%0.445CS..  trans-92.9108.9173.9-54.6179.1000108T922 L925 I929 F935 Q938 L942T922-I927 HydrophobicContact CG2-CB 4.25Å; T922-I927 HydrophobicContact CG2-CG2 4.44Å; T922-I927 PolarHBondContact O-N 3.48Å; L925-I927 VanDerWaalsContact C-N 3.32Å; L925-I927 HydrophobicContact CB-CD1 3.94Å; L925-I927 HydrophobicContact CB-CG1 3.8Å; L925-I927 HydrophobicContact CD1-CD1 3.83Å; I927-I929 HydrophobicContact CG2-CG1 4.46Å; I927-I929 PolarHBondContact O-N 2.86Å; I927-F935 HydrophobicContact CD1-CD2 4.33Å; I927-F935 HydrophobicContact CD1-CE2 4.33Å; I927-F935 HydrophobicContact CG2-CD2 4.23Å; I927-Q938 HydrophobicContact CD1-CG 4.37Å; I927-Q938 HydrophobicContact CG1-CG 3.91Å; I927-Q938 HydrophobicContact CG2-CB 4.32Å; I927-Q938 HydrophobicContact CG2-CG 4.44Å; I927-L942 HydrophobicContact CD1-CD1 4.19Å; I927-L942 HydrophobicContact CG1-CD1 4.49Å
928L65.9Low73.7Confident151 Ų15181.8 Ų81.879%0.79142%0.424SS*.  trans-78.9106168.1-70.2170.3000107.7T930L928-T930 PolarHBondContact O-N 3.22Å
929I63.3Low73.5Confident69 Ų6979.5 Ų79.535%0.35441%0.414SS..  trans-81110.1178-40.6174.2000108.9T922 I927 F935T922-I929 HydrophobicContact CG2-CD1 3.68Å; T922-I929 HydrophobicContact CG2-CG1 3.93Å; I927-I929 HydrophobicContact CG2-CG1 4.46Å; I927-I929 PolarHBondContact O-N 2.86Å; I929-F935 HydrophobicContact CG2-CB 4.46Å
930T67.4Low73.3Confident56 Ų5681.4 Ų81.434%0.34442%0.415SS..SBendtrans-98.5-51.8160.151.50000109.9V30 L928V30-T930 WeakPolarHBondContact O-CB 3.39Å; V30-T930 WeakPolarHBondContact O-CG2 3.3Å; L928-T930 PolarHBondContact O-N 3.22Å
931T71.1Confident73Confident35 Ų3580.2 Ų80.222%0.21541%0.411CS..SBendtrans-124.3156.9179.268.10000112.3A933 A934 F935T931-A933 PolarHBondContact O-N 3.01Å; T931-A934 PolarHBondContact O-N 3.48Å; T931-A934 WeakPolarHBondContact OG1-CB 3.25Å; T931-A934 PolarHBondContact OG1-N 2.76Å; T931-F935 PolarHBondContact O-N 2.98Å; T931-F935 VanDerWaalsContact O-N 3.1Å
932P70.3Confident73.2Confident98 Ų9877.8 Ų77.864%0.63640%0.402SS*.Hα-helixtrans-58.3-35170-24.434.9000112.4F935 F936P932-F935 PolarHBondContact O-N 3.41Å; P932-F936 WeakPolarHBondContact O-CD2 3.07Å; P932-F936 PolarHBondContact O-N 2.8Å
933A67.8Low73.3Confident63 Ų6382.1 Ų82.152%0.52142%0.424SS..Hα-helixtrans-61.8-43.5175.200000112T931 F936 S937T931-A933 PolarHBondContact O-N 3.01Å; A933-F936 PolarHBondContact O-N 2.8Å; A933-S937 WeakPolarHBondContact O-CB 3.5Å; A933-S937 PolarHBondContact O-N 2.69Å; A933-S937 PolarHBondContact O-OG 3.07Å
934A71.8Confident72.9Confident23 Ų2378 Ų7819%0.1941%0.406CS..Hα-helixtrans-63.4-40174.200000112.5T931 S937 Q938T931-A934 PolarHBondContact O-N 3.48Å; T931-A934 WeakPolarHBondContact OG1-CB 3.25Å; T931-A934 PolarHBondContact OG1-N 2.76Å; A934-S937 PolarHBondContact O-N 3.47Å; A934-S937 PolarHBondContact O-OG 2.75Å; A934-S937 VanDerWaalsContact O-OG 3.07Å; A934-Q938 WeakPolarHBondContact O-CB 3.21Å; A934-Q938 PolarHBondContact O-N 2.79Å
935F74.1Confident72.9Confident38 Ų3872.8 Ų72.817%0.16739%0.391CS..Hα-helixtrans-59.5-50.4172.6168.5-98.2000111.6L918 T922 I927 I929 T931 P932 Q938 A939L918-F935 HydrophobicContact CD1-CE2 3.95Å; L918-F935 HydrophobicContact CD1-CZ 3.99Å; T922-F935 HydrophobicContact CG2-CD2 3.68Å; T922-F935 HydrophobicContact CG2-CE2 3.62Å; I927-F935 HydrophobicContact CD1-CD2 4.33Å; I927-F935 HydrophobicContact CD1-CE2 4.33Å; I927-F935 HydrophobicContact CG2-CD2 4.23Å; I929-F935 HydrophobicContact CG2-CB 4.46Å; T931-F935 PolarHBondContact O-N 2.98Å; T931-F935 VanDerWaalsContact O-N 3.1Å; P932-F935 PolarHBondContact O-N 3.41Å; F935-Q938 PolarHBondContact O-N 3.37Å; F935-A939 VanDerWaalsContact O-CB 3.25Å; F935-A939 WeakPolarHBondContact O-CB 3.32Å; F935-A939 PolarHBondContact O-N 2.78Å
936F75.9Confident73.3Confident110 Ų11074.6 Ų74.648%0.48240%0.398SS..Hα-helixtrans-67.9-34.8-179.8-72.8-62.3000113P932 A933 R940P932-F936 WeakPolarHBondContact O-CD2 3.07Å; P932-F936 PolarHBondContact O-N 2.8Å; A933-F936 PolarHBondContact O-N 2.8Å; F936-R940 WeakPolarHBondContact O-CB 3.39Å; F936-R940 WeakPolarHBondContact O-CG 3.36Å; F936-R940 PolarHBondContact O-N 2.58Å; F936-R940 PolarHBondContact O-NE 3.42Å
937S71.7Confident73.7Confident65 Ų6577 Ų7746%0.45539%0.394SS..Hα-helixtrans-67-43.9175.775.70000111.6A933 A934 R940 R941A933-S937 WeakPolarHBondContact O-CB 3.5Å; A933-S937 PolarHBondContact O-N 2.69Å; A933-S937 PolarHBondContact O-OG 3.07Å; A934-S937 PolarHBondContact O-N 3.47Å; A934-S937 PolarHBondContact O-OG 2.75Å; A934-S937 VanDerWaalsContact O-OG 3.07Å; S937-R940 PolarHBondContact O-N 3.27Å; S937-R941 WeakPolarHBondContact O-CB 3.36Å; S937-R941 PolarHBondContact O-N 3.41Å
938Q74Confident74.2Confident36 Ų3680.2 Ų80.217%0.16841%0.414CS..Hα-helixtrans-70.2-35.7176.9-171.3165.2-7.800112.3G926 I927 A934 F935 R941 L942G926-Q938 PolarHBondContact O-NE2 3.29Å; I927-Q938 HydrophobicContact CD1-CG 4.37Å; I927-Q938 HydrophobicContact CG1-CG 3.91Å; I927-Q938 HydrophobicContact CG2-CB 4.32Å; I927-Q938 HydrophobicContact CG2-CG 4.44Å; A934-Q938 WeakPolarHBondContact O-CB 3.21Å; A934-Q938 PolarHBondContact O-N 2.79Å; F935-Q938 PolarHBondContact O-N 3.37Å; Q938-R941 PolarHBondContact O-N 2.85Å; Q938-L942 WeakPolarHBondContact O-CG 3.47Å; Q938-L942 PolarHBondContact O-N 2.64Å
939A74.4Confident75.1Confident22 Ų2278 Ų7818%0.18240%0.403CS..Hα-helixtrans-62.8-48.5172.300000111.7F935 R941 L942 I943F935-A939 VanDerWaalsContact O-CB 3.25Å; F935-A939 WeakPolarHBondContact O-CB 3.32Å; F935-A939 PolarHBondContact O-N 2.78Å; A939-R941 VanDerWaalsContact C-N 3.32Å; A939-R941 PolarHBondContact O-N 2.94Å; A939-L942 PolarHBondContact O-N 3.1Å; A939-I943 WeakPolarHBondContact O-CG1 3.5Å; A939-I943 PolarHBondContact O-N 3.1Å
940R75.5Confident76Confident126 Ų12679 Ų7948%0.47541%0.405SS..Hα-helixtrans-58.6-41173.7-76.4-176.1-69.5-113.12.4112F936 S937 L942 I943 K944F936-R940 WeakPolarHBondContact O-CB 3.39Å; F936-R940 WeakPolarHBondContact O-CG 3.36Å; F936-R940 PolarHBondContact O-N 2.58Å; F936-R940 PolarHBondContact O-NE 3.42Å; S937-R940 PolarHBondContact O-N 3.27Å; R940-L942 PolarHBondContact O-N 3.42Å; R940-I943 PolarHBondContact O-N 3.3Å; R940-K944 WeakPolarHBondContact O-CG 3.5Å; R940-K944 PolarHBondContact O-N 2.87Å
941R77.4Confident76.7Confident142 Ų14283.5 Ų83.554%0.53642%0.423SS..Hα-helixtrans-59.3-43.3174.9-176.3172.667.1175.8-1.4112.4S937 Q938 A939 K944 Q945S937-R941 WeakPolarHBondContact O-CB 3.36Å; S937-R941 PolarHBondContact O-N 3.41Å; Q938-R941 PolarHBondContact O-N 2.85Å; A939-R941 VanDerWaalsContact C-N 3.32Å; A939-R941 PolarHBondContact O-N 2.94Å; R941-K944 PolarHBondContact O-N 3.15Å; R941-Q945 WeakPolarHBondContact O-CG 3.34Å; R941-Q945 PolarHBondContact O-N 3.32Å
942L79.5Confident77.5Confident58 Ų5887.2 Ų87.230%0.30444%0.436SS..Hα-helixtrans-66.7-39176-72.5168.2000112.3L925 I927 Q938 A939 R940 Q945 H946L925-L942 HydrophobicContact CB-CD1 4.45Å; L925-L942 HydrophobicContact CD1-CD1 4.19Å; I927-L942 HydrophobicContact CD1-CD1 4.19Å; I927-L942 HydrophobicContact CG1-CD1 4.49Å; Q938-L942 WeakPolarHBondContact O-CG 3.47Å; Q938-L942 PolarHBondContact O-N 2.64Å; A939-L942 PolarHBondContact O-N 3.1Å; R940-L942 PolarHBondContact O-N 3.42Å; L942-Q945 PolarHBondContact O-N 3.32Å; L942-H946 PolarHBondContact O-N 3.14Å
943I78.9Confident78.3Confident96 Ų9686.4 Ų86.449%0.49243%0.426SS..Hα-helixtrans-64.6-44.1175.8-66.9163.5000111A939 R940 Q945 H946 H947A939-I943 WeakPolarHBondContact O-CG1 3.5Å; A939-I943 PolarHBondContact O-N 3.1Å; R940-I943 PolarHBondContact O-N 3.3Å; I943-Q945 PolarHBondContact O-N 2.96Å; I943-H946 WeakPolarHBondContact O-CB 3.35Å; I943-H946 PolarHBondContact O-N 2.68Å; I943-H946 VanDerWaalsContact O-N 3.13Å; I943-H947 PolarHBondContact O-N 2.79Å
944K73.7Confident79.1Confident98 Ų9886 Ų8643%0.42642%0.422SS..Hα-helixtrans-59.2-44.7174-72.7-174.2179.6-171.40112D303 R940 R941 H946 H947 V948D303-K944 WeakPolarHBondContact OD2-CE 3.34Å; D303-K944 IonicContact OD2-NZ 2.77Å; D303-K944 PolarHBondContact OD2-NZ 3.3Å; R940-K944 WeakPolarHBondContact O-CG 3.5Å; R940-K944 PolarHBondContact O-N 2.87Å; R941-K944 PolarHBondContact O-N 3.15Å; K944-H946 VanDerWaalsContact C-N 3.32Å; K944-H946 PolarHBondContact O-N 3.08Å; K944-H947 PolarHBondContact O-N 3.35Å; K944-V948 WeakPolarHBondContact O-CG2 3.36Å; K944-V948 PolarHBondContact O-N 2.94Å
945Q78.9Confident79.9Confident108 Ų10889.2 Ų89.251%0.50543%0.433SS..Hα-helixtrans-61.7-39174.5-73.2176.9-11.200112R941 L942 I943 L949R941-Q945 WeakPolarHBondContact O-CG 3.34Å; R941-Q945 PolarHBondContact O-N 3.32Å; L942-Q945 PolarHBondContact O-N 3.32Å; I943-Q945 PolarHBondContact O-N 2.96Å; Q945-L949 WeakPolarHBondContact O-CB 3.18Å; Q945-L949 VanDerWaalsContact O-CG 3.25Å; Q945-L949 WeakPolarHBondContact O-CG 3.26Å; Q945-L949 PolarHBondContact O-N 2.94Å
946H82.9Confident80.6Confident109 Ų10992.8 Ų92.851%0.50545%0.449SS..Hα-helixtrans-61.9-49.7174.9-169.6-84.7000112.1L942 I943 K944 V948 L949 E950L942-H946 PolarHBondContact O-N 3.14Å; I943-H946 WeakPolarHBondContact O-CB 3.35Å; I943-H946 PolarHBondContact O-N 2.68Å; I943-H946 VanDerWaalsContact O-N 3.13Å; K944-H946 VanDerWaalsContact C-N 3.32Å; K944-H946 PolarHBondContact O-N 3.08Å; H946-V948 PolarHBondContact O-N 2.8Å; H946-L949 CarbonylContact O-C 3Å; H946-L949 WeakPolarHBondContact O-CA 3.27Å; H946-L949 WeakPolarHBondContact O-CB 3.23Å; H946-L949 PolarHBondContact O-N 3.16Å; H946-L949 VanDerWaalsContact O-N 3.11Å; H946-E950 IonicContact CE1-OE1 2.89Å; H946-E950 IonicContact CE1-OE2 2.7Å; H946-E950 PolarHBondContact CE1-OE2 3.25Å; H946-E950 VanDerWaalsContact ND1-CD 3.26Å; H946-E950 IonicContact ND1-OE1 2.63Å; H946-E950 IonicContact ND1-OE2 3.79Å; H946-E950 PolarHBondContact ND1-OE2 3.37Å; H946-E950 WeakPolarHBondContact O-CG 3.45Å; H946-E950 PolarHBondContact O-N 3.15Å
947H81.4Confident81.2Confident105 Ų10596 Ų9649%0.48646%0.458SS..Hα-helixtrans-63.7-38.7179.5-77.9-28.4000113.3I943 K944 L949 E950 E951I943-H947 PolarHBondContact O-N 2.79Å; K944-H947 PolarHBondContact O-N 3.35Å; H947-L949 VanDerWaalsContact C-N 3.29Å; H947-L949 PolarHBondContact O-N 3.06Å; H947-E950 IonicContact CE1-OE2 2.62Å; H947-E950 IonicContact CG-OE2 2.65Å; H947-E950 IonicContact ND1-OE2 3.87Å; H947-E950 PolarHBondContact ND1-OE2 3.24Å; H947-E950 PolarHBondContact O-N 3.34Å; H947-E951 PolarHBondContact O-N 2.89Å
948V83.5Confident81.9Confident77 Ų7798.8 Ų98.847%0.46746%0.459SS..Hα-helixtrans-64.5-34.9173.5172.50000111.5K944 H946 K952K944-V948 WeakPolarHBondContact O-CG2 3.36Å; K944-V948 PolarHBondContact O-N 2.94Å; H946-V948 PolarHBondContact O-N 2.8Å; V948-K952 HydrophobicContact CG1-CD 4.35Å; V948-K952 WeakPolarHBondContact O-CB 3.2Å; V948-K952 WeakPolarHBondContact O-CG 3.4Å; V948-K952 PolarHBondContact O-N 2.89Å; V948-K952 VanDerWaalsContact O-N 3.09Å
949L83.6Confident82.6Confident104 Ų104101 Ų10155%0.54547%0.469SS..Hα-helixtrans-70.4-37.9172.6-72168.1000112.1Q945 H946 H947 K952 I953Q945-L949 WeakPolarHBondContact O-CB 3.18Å; Q945-L949 VanDerWaalsContact O-CG 3.25Å; Q945-L949 WeakPolarHBondContact O-CG 3.26Å; Q945-L949 PolarHBondContact O-N 2.94Å; H946-L949 CarbonylContact O-C 3Å; H946-L949 WeakPolarHBondContact O-CA 3.27Å; H946-L949 WeakPolarHBondContact O-CB 3.23Å; H946-L949 PolarHBondContact O-N 3.16Å; H946-L949 VanDerWaalsContact O-N 3.11Å; H947-L949 VanDerWaalsContact C-N 3.29Å; H947-L949 PolarHBondContact O-N 3.06Å; L949-K952 PolarHBondContact O-N 2.95Å; L949-I953 WeakPolarHBondContact O-CB 3.46Å; L949-I953 WeakPolarHBondContact O-CD1 3.48Å; L949-I953 WeakPolarHBondContact O-CG1 3.03Å; L949-I953 PolarHBondContact O-N 3.21Å
950E82.9Confident83.2Confident89 Ų89105.2 Ų105.242%0.41649%0.487SS..Hα-helixtrans-63.7-41.2174.3-73.9-178.811400112.4H946 H947 I953 A954H946-E950 IonicContact CE1-OE1 2.89Å; H946-E950 IonicContact CE1-OE2 2.7Å; H946-E950 PolarHBondContact CE1-OE2 3.25Å; H946-E950 VanDerWaalsContact ND1-CD 3.26Å; H946-E950 IonicContact ND1-OE1 2.63Å; H946-E950 IonicContact ND1-OE2 3.79Å; H946-E950 PolarHBondContact ND1-OE2 3.37Å; H946-E950 WeakPolarHBondContact O-CG 3.45Å; H946-E950 PolarHBondContact O-N 3.15Å; H947-E950 IonicContact CE1-OE2 2.62Å; H947-E950 IonicContact CG-OE2 2.65Å; H947-E950 IonicContact ND1-OE2 3.87Å; H947-E950 PolarHBondContact ND1-OE2 3.24Å; H947-E950 PolarHBondContact O-N 3.34Å; E950-I953 PolarHBondContact O-N 3.26Å; E950-A954 WeakPolarHBondContact O-CB 3.48Å; E950-A954 PolarHBondContact O-N 3.2Å
951E82.5Confident83.7Confident151 Ų151103 Ų10371%0.70649%0.491SS*.Hα-helixtrans-65.2-45.4174.7-176164.8-143.200111.3H947 I953 A954 E955H947-E951 PolarHBondContact O-N 2.89Å; E951-I953 VanDerWaalsContact C-N 3.3Å; E951-I953 PolarHBondContact O-N 2.97Å; E951-A954 CarbonylContact O-C 3.53Å; E951-A954 WeakPolarHBondContact O-CA 3.22Å; E951-A954 WeakPolarHBondContact O-CB 3.17Å; E951-A954 PolarHBondContact O-N 3.35Å; E951-E955 PolarHBondContact O-N 3.47Å
952K86.2Confident84.3Confident114 Ų114101.9 Ų101.950%0.49650%0.495SS..Hα-helixtrans-60.3-38.4173.4-74.5175.9178.7-1770112.2V948 L949 E955 F956V948-K952 HydrophobicContact CG1-CD 4.35Å; V948-K952 WeakPolarHBondContact O-CB 3.2Å; V948-K952 WeakPolarHBondContact O-CG 3.4Å; V948-K952 PolarHBondContact O-N 2.89Å; V948-K952 VanDerWaalsContact O-N 3.09Å; L949-K952 PolarHBondContact O-N 2.95Å; K952-E955 PolarHBondContact O-N 2.76Å; K952-F956 HydrophobicContact CB-CE2 4.39Å; K952-F956 WeakPolarHBondContact O-CD2 3.22Å; K952-F956 WeakPolarHBondContact O-CG 3.42Å; K952-F956 PolarHBondContact O-N 3.19Å
953I87Confident84.7Confident81 Ų81104.2 Ų104.242%0.41551%0.507SS..Hα-helixtrans-65.7-38.8173.2-73.5164000111.3L949 E950 E951 R957L949-I953 WeakPolarHBondContact O-CB 3.46Å; L949-I953 WeakPolarHBondContact O-CD1 3.48Å; L949-I953 WeakPolarHBondContact O-CG1 3.03Å; L949-I953 PolarHBondContact O-N 3.21Å; E950-I953 PolarHBondContact O-N 3.26Å; E951-I953 VanDerWaalsContact C-N 3.3Å; E951-I953 PolarHBondContact O-N 2.97Å; I953-R957 VanDerWaalsContact CG2-CZ 3.48Å; I953-R957 WeakPolarHBondContact O-CB 3.18Å; I953-R957 WeakPolarHBondContact O-CD 3.48Å; I953-R957 WeakPolarHBondContact O-CG 3.18Å; I953-R957 PolarHBondContact O-N 2.6Å
954A86.6Confident84.9Confident55 Ų55102.4 Ų102.446%0.45550%0.503SS..Hα-helixtrans-67.4-38.817500000111.9E950 E951 R958E950-A954 WeakPolarHBondContact O-CB 3.48Å; E950-A954 PolarHBondContact O-N 3.2Å; E951-A954 CarbonylContact O-C 3.53Å; E951-A954 WeakPolarHBondContact O-CA 3.22Å; E951-A954 WeakPolarHBondContact O-CB 3.17Å; E951-A954 PolarHBondContact O-N 3.35Å; A954-R958 WeakPolarHBondContact O-CB 3.26Å; A954-R958 PolarHBondContact O-N 3.38Å
955E87.4Confident85.5Confident90 Ų90101.1 Ų101.142%0.42151%0.507SS..Hα-helixtrans-65.5-50.9174.2-158.6-159.3156.500111.3E951 K952 R957 R958 Q959E951-E955 PolarHBondContact O-N 3.47Å; K952-E955 PolarHBondContact O-N 2.76Å; E955-R957 VanDerWaalsContact C-N 3.3Å; E955-R957 PolarHBondContact O-N 3.23Å; E955-R958 CarbonylContact O-C 3.53Å; E955-R958 WeakPolarHBondContact O-CA 3.35Å; E955-R958 VanDerWaalsContact O-CB 3.28Å; E955-R958 WeakPolarHBondContact O-CB 3.42Å; E955-R958 PolarHBondContact O-N 3.33Å; E955-Q959 WeakPolarHBondContact O-CG 3.48Å; E955-Q959 PolarHBondContact O-N 3Å; E955-Q959 PolarHBondContact OE1-NE2 2.88Å
956F89Confident85.9Confident112 Ų11298.7 Ų98.749%0.49151%0.505SS..Hα-helixtrans-60.1-39.3177.2-68.6-45.4000112K952 R958 Q959 I960K952-F956 HydrophobicContact CB-CE2 4.39Å; K952-F956 WeakPolarHBondContact O-CD2 3.22Å; K952-F956 WeakPolarHBondContact O-CG 3.42Å; K952-F956 PolarHBondContact O-N 3.19Å; F956-R958 VanDerWaalsContact C-N 3.28Å; F956-R958 PolarHBondContact O-N 3.46Å; F956-Q959 PolarHBondContact O-N 3.42Å; F956-I960 VanDerWaalsContact O-CB 3.31Å; F956-I960 WeakPolarHBondContact O-CB 3.1Å; F956-I960 WeakPolarHBondContact O-CD1 3.26Å; F956-I960 WeakPolarHBondContact O-CG1 3.39Å; F956-I960 PolarHBondContact O-N 3.26Å
957R87.6Confident86.1Confident179 Ų17998.1 Ų98.168%0.67551%0.505SS*.Hα-helixtrans-59.5-37.4172-77168.9178.1169.53.5112.4I953 E955 S961I953-R957 VanDerWaalsContact CG2-CZ 3.48Å; I953-R957 WeakPolarHBondContact O-CB 3.18Å; I953-R957 WeakPolarHBondContact O-CD 3.48Å; I953-R957 WeakPolarHBondContact O-CG 3.18Å; I953-R957 PolarHBondContact O-N 2.6Å; E955-R957 VanDerWaalsContact C-N 3.3Å; E955-R957 PolarHBondContact O-N 3.23Å; R957-S961 WeakPolarHBondContact O-CB 3.41Å; R957-S961 PolarHBondContact O-N 2.9Å
958R87.7Confident86.3Confident123 Ų12399.4 Ų99.446%0.46451%0.512SS..Hα-helixtrans-71.2-43.9176.4-173.4-174.4-168.6157.11.6112.2A954 E955 F956 S961 L962A954-R958 WeakPolarHBondContact O-CB 3.26Å; A954-R958 PolarHBondContact O-N 3.38Å; E955-R958 CarbonylContact O-C 3.53Å; E955-R958 WeakPolarHBondContact O-CA 3.35Å; E955-R958 VanDerWaalsContact O-CB 3.28Å; E955-R958 WeakPolarHBondContact O-CB 3.42Å; E955-R958 PolarHBondContact O-N 3.33Å; F956-R958 VanDerWaalsContact C-N 3.28Å; F956-R958 PolarHBondContact O-N 3.46Å; R958-S961 PolarHBondContact O-N 3.27Å; R958-L962 WeakPolarHBondContact O-CG 3.45Å; R958-L962 PolarHBondContact O-N 3.16Å
959Q88.1Confident86.4Confident81 Ų8198.6 Ų98.638%0.37950%0.503SS..Hα-helixtrans-61.1-46.3174.3-66.5-177.89.900110.7E955 F956 S961 L962 L963E955-Q959 WeakPolarHBondContact O-CG 3.48Å; E955-Q959 PolarHBondContact O-N 3Å; E955-Q959 PolarHBondContact OE1-NE2 2.88Å; F956-Q959 PolarHBondContact O-N 3.42Å; Q959-S961 VanDerWaalsContact C-N 3.33Å; Q959-S961 PolarHBondContact O-N 3.36Å; Q959-L962 PolarHBondContact O-N 3.02Å; Q959-L962 VanDerWaalsContact O-N 3.17Å; Q959-L963 WeakPolarHBondContact O-CB 3.44Å; Q959-L963 WeakPolarHBondContact O-CG 3.44Å; Q959-L963 PolarHBondContact O-N 3Å
960I86.9Confident86.4Confident112 Ų11298.1 Ų98.157%0.57450%0.5SS*.Hα-helixtrans-59.1-41.6173.7-69.9164.2000111.1F956 L962 S964F956-I960 VanDerWaalsContact O-CB 3.31Å; F956-I960 WeakPolarHBondContact O-CB 3.1Å; F956-I960 WeakPolarHBondContact O-CD1 3.26Å; F956-I960 WeakPolarHBondContact O-CG1 3.39Å; F956-I960 PolarHBondContact O-N 3.26Å; I960-L962 VanDerWaalsContact C-N 3.35Å; I960-L962 PolarHBondContact O-N 2.85Å; I960-S964 WeakPolarHBondContact O-CB 3.2Å; I960-S964 PolarHBondContact O-N 2.99Å
961S87.2Confident86.5Confident80 Ų8097.4 Ų97.456%0.55950%0.502SS*.Hα-helixtrans-65.2-35.9176.4-172.10000113.1R957 R958 Q959 S965R957-S961 WeakPolarHBondContact O-CB 3.41Å; R957-S961 PolarHBondContact O-N 2.9Å; R958-S961 PolarHBondContact O-N 3.27Å; Q959-S961 VanDerWaalsContact C-N 3.33Å; Q959-S961 PolarHBondContact O-N 3.36Å; S961-S965 WeakPolarHBondContact O-CB 3.4Å; S961-S965 PolarHBondContact O-N 3.19Å; S961-S965 VanDerWaalsContact O-N 3.16Å
962L89.7Confident86.6Confident118 Ų11896.3 Ų96.362%0.61849%0.491SS*.Hα-helixtrans-72.8-45.7176.6-71.1170.3000111.3R958 Q959 I960 S964 S965 A966R958-L962 WeakPolarHBondContact O-CG 3.45Å; R958-L962 PolarHBondContact O-N 3.16Å; Q959-L962 PolarHBondContact O-N 3.02Å; Q959-L962 VanDerWaalsContact O-N 3.17Å; I960-L962 VanDerWaalsContact C-N 3.35Å; I960-L962 PolarHBondContact O-N 2.85Å; L962-S964 VanDerWaalsContact C-N 3.34Å; L962-S964 PolarHBondContact O-N 2.97Å; L962-S965 PolarHBondContact O-N 3.3Å; L962-A966 WeakPolarHBondContact O-CB 3.42Å; L962-A966 PolarHBondContact O-N 3.18Å
963L86.3Confident86.5Confident107 Ų10798.3 Ų98.356%0.5650%0.496SS*.Hα-helixtrans-62.5-39.6175.7-74.3164.8000112Q959 A966 N967Q959-L963 WeakPolarHBondContact O-CB 3.44Å; Q959-L963 WeakPolarHBondContact O-CG 3.44Å; Q959-L963 PolarHBondContact O-N 3Å; L963-A966 PolarHBondContact O-N 3.04Å; L963-N967 VanDerWaalsContact O-CB 3.28Å; L963-N967 WeakPolarHBondContact O-CB 3.08Å; L963-N967 PolarHBondContact O-N 3.37Å
964S84.8Confident86.4Confident57 Ų57100.3 Ų100.340%0.39950%0.503SS..Hα-helixtrans-63.5-45.7175-174.70000111.7I960 L962 N967 Q968I960-S964 WeakPolarHBondContact O-CB 3.2Å; I960-S964 PolarHBondContact O-N 2.99Å; L962-S964 VanDerWaalsContact C-N 3.34Å; L962-S964 PolarHBondContact O-N 2.97Å; S964-N967 PolarHBondContact O-N 3.26Å; S964-Q968 WeakPolarHBondContact O-CB 3.47Å; S964-Q968 WeakPolarHBondContact O-CG 3.44Å; S964-Q968 PolarHBondContact O-N 3.14Å
965S86.5Confident86.2Confident72 Ų72104 Ų10450%0.50351%0.51SS..Hα-helixtrans-63.7-41.9175.6-174.80000112.5S961 L962 Q968 E969S961-S965 WeakPolarHBondContact O-CB 3.4Å; S961-S965 PolarHBondContact O-N 3.19Å; S961-S965 VanDerWaalsContact O-N 3.16Å; L962-S965 PolarHBondContact O-N 3.3Å; S965-Q968 PolarHBondContact O-N 2.89Å; S965-E969 PolarHBondContact O-N 3.04Å
966A86.2Confident86.1Confident56 Ų56103.9 Ų103.946%0.46351%0.512SS..Hα-helixtrans-64.2-42175.400000112L962 L963 E969 L970L962-A966 WeakPolarHBondContact O-CB 3.42Å; L962-A966 PolarHBondContact O-N 3.18Å; L963-A966 PolarHBondContact O-N 3.04Å; A966-E969 PolarHBondContact O-N 3.37Å; A966-L970 VanDerWaalsContact O-CB 3.3Å; A966-L970 WeakPolarHBondContact O-CB 3.47Å; A966-L970 PolarHBondContact O-N 3.17Å
967N86.6Confident85.6Confident97 Ų97102 Ų10252%0.51951%0.505SS..Hα-helixtrans-65.9-38.6174.7-74.9-4.9000111.7L963 S964 L970 V971L963-N967 VanDerWaalsContact O-CB 3.28Å; L963-N967 WeakPolarHBondContact O-CB 3.08Å; L963-N967 PolarHBondContact O-N 3.37Å; S964-N967 PolarHBondContact O-N 3.26Å; N967-L970 PolarHBondContact O-N 2.91Å; N967-V971 VanDerWaalsContact O-CB 3.3Å; N967-V971 WeakPolarHBondContact O-CB 3.29Å; N967-V971 WeakPolarHBondContact O-CG2 3.48Å; N967-V971 PolarHBondContact O-N 2.81Å
968Q86.4Confident85.2Confident133 Ų13396.3 Ų96.362%0.62150%0.495SS*.Hα-helixtrans-62.6-43.5174.1-76.9176.7-7.500111.9S964 S965 R972S964-Q968 WeakPolarHBondContact O-CB 3.47Å; S964-Q968 WeakPolarHBondContact O-CG 3.44Å; S964-Q968 PolarHBondContact O-N 3.14Å; S965-Q968 PolarHBondContact O-N 2.89Å; Q968-R972 WeakPolarHBondContact O-CB 3.2Å; Q968-R972 PolarHBondContact O-N 3.12Å
969E85.7Confident84.9Confident59 Ų5993.2 Ų93.228%0.27650%0.496SS..Hα-helixtrans-66.4-39.3174.5170.559-173.400112.2S965 A966 R972 R973S965-E969 PolarHBondContact O-N 3.04Å; A966-E969 PolarHBondContact O-N 3.37Å; E969-R972 VanDerWaalsContact CD-NH2 3.28Å; E969-R972 WeakPolarHBondContact O-CB 3.5Å; E969-R972 PolarHBondContact O-N 3.48Å; E969-R972 IonicContact OE1-CZ 2.74Å; E969-R972 IonicContact OE1-NH2 3.46Å; E969-R972 PolarHBondContact OE1-NH2 3.49Å; E969-R972 IonicContact OE2-CZ 3.92Å; E969-R972 IonicContact OE2-NE 3.81Å; E969-R972 PolarHBondContact OE2-NE 2.86Å; E969-R972 IonicContact OE2-NH2 2.66Å; E969-R972 PolarHBondContact OE2-NH2 2.72Å; E969-R973 WeakPolarHBondContact O-CG 3.24Å; E969-R973 PolarHBondContact O-N 3.09Å; E969-R973 IonicContact OE1-CZ 2.69Å; E969-R973 VanDerWaalsContact OE1-CZ 3.28Å; E969-R973 IonicContact OE1-NE 3.78Å; E969-R973 PolarHBondContact OE1-NE 3.44Å; E969-R973 IonicContact OE1-NH2 3.83Å; E969-R973 PolarHBondContact OE1-NH2 3.09Å
970L84.1Confident84.6Confident95 Ų9595.9 Ų95.950%0.49750%0.503SS..Hα-helixtrans-66.9-42176.6-174.1133.9000111.4A966 N967 R973 H974A966-L970 VanDerWaalsContact O-CB 3.3Å; A966-L970 WeakPolarHBondContact O-CB 3.47Å; A966-L970 PolarHBondContact O-N 3.17Å; N967-L970 PolarHBondContact O-N 2.91Å; L970-R973 PolarHBondContact O-N 3.41Å; L970-H974 PolarHBondContact O-CD2 3.33Å; L970-H974 PolarHBondContact O-N 3.01Å
971V84.9Confident84.2Confident73 Ų7395.4 Ų95.444%0.44250%0.501SS..Hα-helixtrans-62.3-41.3171.1168.50000111N967 H974 H975N967-V971 VanDerWaalsContact O-CB 3.3Å; N967-V971 WeakPolarHBondContact O-CB 3.29Å; N967-V971 WeakPolarHBondContact O-CG2 3.48Å; N967-V971 PolarHBondContact O-N 2.81Å; V971-H974 PolarHBondContact O-N 2.89Å; V971-H975 WeakPolarHBondContact CG1-ND1 3.19Å; V971-H975 PolarHBondContact O-N 3.19Å; V971-H975 PolarHBondContact O-ND1 3.12Å
972R84.3Confident83.8Confident128 Ų12897.5 Ų97.548%0.48351%0.505SS..Hα-helixtrans-62.3-41.9174.9-169.3-170.268.489.46.5111.7Q968 E969 H975 I976Q968-R972 WeakPolarHBondContact O-CB 3.2Å; Q968-R972 PolarHBondContact O-N 3.12Å; E969-R972 VanDerWaalsContact CD-NH2 3.28Å; E969-R972 WeakPolarHBondContact O-CB 3.5Å; E969-R972 PolarHBondContact O-N 3.48Å; E969-R972 IonicContact OE1-CZ 2.74Å; E969-R972 IonicContact OE1-NH2 3.46Å; E969-R972 PolarHBondContact OE1-NH2 3.49Å; E969-R972 IonicContact OE2-CZ 3.92Å; E969-R972 IonicContact OE2-NE 3.81Å; E969-R972 PolarHBondContact OE2-NE 2.86Å; E969-R972 IonicContact OE2-NH2 2.66Å; E969-R972 PolarHBondContact OE2-NH2 2.72Å; R972-H975 PolarHBondContact O-N 3.3Å; R972-I976 HydrophobicContact CG-CD1 4.18Å; R972-I976 WeakPolarHBondContact O-CG1 3.23Å; R972-I976 PolarHBondContact O-N 3.18Å
973R84.2Confident83.2Confident157 Ų15794.6 Ų94.659%0.59250%0.498SS*.Hα-helixtrans-62.9-43.1173.6-72.7175.9-169.1-163.32.5111.9E969 L970 I976 E977E969-R973 WeakPolarHBondContact O-CG 3.24Å; E969-R973 PolarHBondContact O-N 3.09Å; E969-R973 IonicContact OE1-CZ 2.69Å; E969-R973 VanDerWaalsContact OE1-CZ 3.28Å; E969-R973 IonicContact OE1-NE 3.78Å; E969-R973 PolarHBondContact OE1-NE 3.44Å; E969-R973 IonicContact OE1-NH2 3.83Å; E969-R973 PolarHBondContact OE1-NH2 3.09Å; L970-R973 PolarHBondContact O-N 3.41Å; R973-I976 PolarHBondContact O-N 3.37Å; R973-E977 PolarHBondContact O-N 2.9Å
974H83.5Confident82.8Confident122 Ų12292.2 Ų92.257%0.56549%0.488SS*.Hα-helixtrans-64.2-37.6174.5-78.2-63.1000112.6L970 V971 A978L970-H974 PolarHBondContact O-CD2 3.33Å; L970-H974 PolarHBondContact O-N 3.01Å; V971-H974 PolarHBondContact O-N 2.89Å; H974-A978 WeakPolarHBondContact O-CB 3.2Å; H974-A978 PolarHBondContact O-N 2.92Å
975H83.3Confident82.2Confident132 Ų13291.9 Ų91.961%0.61149%0.488SS*.Hα-helixtrans-65.2-40.7173.1-78.774.2000112V971 R972 A979V971-H975 WeakPolarHBondContact CG1-ND1 3.19Å; V971-H975 PolarHBondContact O-N 3.19Å; V971-H975 PolarHBondContact O-ND1 3.12Å; R972-H975 PolarHBondContact O-N 3.3Å; H975-A979 VanDerWaalsContact O-CB 3.24Å; H975-A979 WeakPolarHBondContact O-CB 3.33Å; H975-A979 PolarHBondContact O-N 3.36Å
976I84.7Confident81.6Confident88 Ų8892.3 Ų92.345%0.45149%0.488SS..Hα-helixtrans-67.8-45.3177.5-71.7169.1000111.2R972 R973 A979 R980R972-I976 HydrophobicContact CG-CD1 4.18Å; R972-I976 WeakPolarHBondContact O-CG1 3.23Å; R972-I976 PolarHBondContact O-N 3.18Å; R973-I976 PolarHBondContact O-N 3.37Å; I976-A979 PolarHBondContact O-N 2.98Å; I976-R980 WeakPolarHBondContact O-CB 3.46Å; I976-R980 PolarHBondContact O-N 3.2Å
977E79.2Confident80.7Confident74 Ų7491.6 Ų91.635%0.34648%0.483SS..Hα-helixtrans-72.5-33.7178.8-169.460-164.300111.6R973 R980 L981R973-E977 PolarHBondContact O-N 2.9Å; E977-R980 VanDerWaalsContact CD-NE 3.31Å; E977-R980 PolarHBondContact O-N 3.01Å; E977-R980 IonicContact OE1-CZ 3.43Å; E977-R980 VanDerWaalsContact OE1-CZ 3.3Å; E977-R980 IonicContact OE1-NE 2.97Å; E977-R980 PolarHBondContact OE1-NE 3.34Å; E977-R980 IonicContact OE1-NH2 3.69Å; E977-R980 PolarHBondContact OE1-NH2 3.43Å; E977-R980 WeakPolarHBondContact OE2-CD 3.36Å; E977-R980 IonicContact OE2-CZ 3.51Å; E977-R980 IonicContact OE2-NE 3.89Å; E977-R980 PolarHBondContact OE2-NE 3.08Å; E977-R980 IonicContact OE2-NH2 2.71Å; E977-L981 HydrophobicContact CG-CD1 4.19Å; E977-L981 HydrophobicContact CG-CG 4.38Å; E977-L981 VanDerWaalsContact O-CB 3.3Å; E977-L981 WeakPolarHBondContact O-CB 3.28Å; E977-L981 VanDerWaalsContact O-CG 3.22Å; E977-L981 WeakPolarHBondContact O-CG 3.12Å; E977-L981 PolarHBondContact O-N 3.06Å
978A78.1Confident79.5Confident58 Ų5892.6 Ų92.648%0.47949%0.487SS..Hα-helixtrans-62.5-43.3169.500000111.3H974 L981 L982H974-A978 WeakPolarHBondContact O-CB 3.2Å; H974-A978 PolarHBondContact O-N 2.92Å; A978-L981 PolarHBondContact O-N 3Å; A978-L982 VanDerWaalsContact O-CB 3.27Å; A978-L982 WeakPolarHBondContact O-CB 3.18Å; A978-L982 PolarHBondContact O-N 3.38Å
979A81.9Confident78.2Confident58 Ų5894.1 Ų94.148%0.47949%0.491SS..Hα-helixtrans-65.4-37.3173.900000112.2H975 I976 L982 A983H975-A979 VanDerWaalsContact O-CB 3.24Å; H975-A979 WeakPolarHBondContact O-CB 3.33Å; H975-A979 PolarHBondContact O-N 3.36Å; I976-A979 PolarHBondContact O-N 2.98Å; A979-L982 PolarHBondContact O-N 3Å; A979-A983 VanDerWaalsContact O-CB 3.23Å; A979-A983 WeakPolarHBondContact O-CB 3.29Å; A979-A983 PolarHBondContact O-N 2.92Å
980R81.7Confident76.8Confident138 Ų13895.2 Ų95.252%0.52151%0.505SS..Hα-helixtrans-67.2-43.6175.9-162.2-176.278.586.54111.5I976 E977 A983 T984I976-R980 WeakPolarHBondContact O-CB 3.46Å; I976-R980 PolarHBondContact O-N 3.2Å; E977-R980 VanDerWaalsContact CD-NE 3.31Å; E977-R980 PolarHBondContact O-N 3.01Å; E977-R980 IonicContact OE1-CZ 3.43Å; E977-R980 VanDerWaalsContact OE1-CZ 3.3Å; E977-R980 IonicContact OE1-NE 2.97Å; E977-R980 PolarHBondContact OE1-NE 3.34Å; E977-R980 IonicContact OE1-NH2 3.69Å; E977-R980 PolarHBondContact OE1-NH2 3.43Å; E977-R980 WeakPolarHBondContact OE2-CD 3.36Å; E977-R980 IonicContact OE2-CZ 3.51Å; E977-R980 IonicContact OE2-NE 3.89Å; E977-R980 PolarHBondContact OE2-NE 3.08Å; E977-R980 IonicContact OE2-NH2 2.71Å; R980-A983 PolarHBondContact O-N 3.36Å; R980-T984 WeakPolarHBondContact O-CB 3.5Å; R980-T984 PolarHBondContact O-N 2.77Å; R980-T984 PolarHBondContact O-OG1 3.01Å
981L79.5Confident75Confident101 Ų10195.7 Ų95.753%0.52951%0.508SS..Hα-helixtrans-66.3-39.2174.6-71.6170.3000111.3E977 A978 T984 A985E977-L981 HydrophobicContact CG-CD1 4.19Å; E977-L981 HydrophobicContact CG-CG 4.38Å; E977-L981 VanDerWaalsContact O-CB 3.3Å; E977-L981 WeakPolarHBondContact O-CB 3.28Å; E977-L981 VanDerWaalsContact O-CG 3.22Å; E977-L981 WeakPolarHBondContact O-CG 3.12Å; E977-L981 PolarHBondContact O-N 3.06Å; A978-L981 PolarHBondContact O-N 3Å; L981-T984 PolarHBondContact O-N 3.48Å; L981-A985 WeakPolarHBondContact O-CB 3.42Å; L981-A985 PolarHBondContact O-N 2.97Å
982L77.9Confident73Confident125 Ų12597.8 Ų97.865%0.65452%0.517SS*.Hα-helixtrans-64.8-46174.4-160.198.9000111.1A978 A979 T984 A985 T986A978-L982 VanDerWaalsContact O-CB 3.27Å; A978-L982 WeakPolarHBondContact O-CB 3.18Å; A978-L982 PolarHBondContact O-N 3.38Å; A979-L982 PolarHBondContact O-N 3Å; L982-T984 VanDerWaalsContact C-N 3.35Å; L982-T984 PolarHBondContact O-N 3.38Å; L982-A985 CarbonylContact O-C 3.58Å; L982-A985 PolarHBondContact O-N 3.29Å; L982-T986 PolarHBondContact O-N 3.27Å; L982-T986 PolarHBondContact O-OG1 3.06Å
983A77.2Confident71.1Confident56 Ų5696.3 Ų96.346%0.46353%0.526SS..Hα-helixtrans-61.2-41.8175.800000111.9A979 R980 T986 A987A979-A983 VanDerWaalsContact O-CB 3.23Å; A979-A983 WeakPolarHBondContact O-CB 3.29Å; A979-A983 PolarHBondContact O-N 2.92Å; R980-A983 PolarHBondContact O-N 3.36Å; A983-T986 VanDerWaalsContact CA-OG1 3.29Å; A983-T986 WeakPolarHBondContact CA-OG1 3.2Å; A983-T986 PolarHBondContact O-N 3.5Å; A983-T986 PolarHBondContact O-OG1 2.85Å; A983-A987 WeakPolarHBondContact O-CB 3.39Å; A983-A987 PolarHBondContact O-N 3.31Å
984T77.8Confident69.2Low58 Ų5896.1 Ų96.136%0.35654%0.536SS..Hα-helixtrans-67.2-39.7175.5-51.30000110.8R980 L981 L982 A987 I988R980-T984 WeakPolarHBondContact O-CB 3.5Å; R980-T984 PolarHBondContact O-N 2.77Å; R980-T984 PolarHBondContact O-OG1 3.01Å; L981-T984 PolarHBondContact O-N 3.48Å; L982-T984 VanDerWaalsContact C-N 3.35Å; L982-T984 PolarHBondContact O-N 3.38Å; T984-A987 PolarHBondContact O-N 3.15Å; T984-I988 HydrophobicContact CG2-CD1 3.93Å; T984-I988 WeakPolarHBondContact O-CB 3.44Å; T984-I988 VanDerWaalsContact O-CG1 3.3Å; T984-I988 WeakPolarHBondContact O-CG1 3.41Å; T984-I988 PolarHBondContact O-N 2.95Å
985A72.1Confident67.1Low49 Ų4997.4 Ų97.441%0.40554%0.542SS..Hα-helixtrans-69.4-29.8175.300000112.8L981 L982 K989L981-A985 WeakPolarHBondContact O-CB 3.42Å; L981-A985 PolarHBondContact O-N 2.97Å; L982-A985 CarbonylContact O-C 3.58Å; L982-A985 PolarHBondContact O-N 3.29Å; A985-K989 WeakPolarHBondContact O-CB 3.45Å; A985-K989 VanDerWaalsContact O-CG 3.24Å; A985-K989 WeakPolarHBondContact O-CG 3.47Å; A985-K989 PolarHBondContact O-N 2.63Å; A985-K989 VanDerWaalsContact O-N 3.15Å
986T73.8Confident65.3Low81 Ų8198.7 Ų98.750%0.49755%0.554SS.*Hα-helixtrans-73.1-37.916947.60000112L982 A983 K989 S990L982-T986 PolarHBondContact O-N 3.27Å; L982-T986 PolarHBondContact O-OG1 3.06Å; A983-T986 VanDerWaalsContact CA-OG1 3.29Å; A983-T986 WeakPolarHBondContact CA-OG1 3.2Å; A983-T986 PolarHBondContact O-N 3.5Å; A983-T986 PolarHBondContact O-OG1 2.85Å; T986-K989 CarbonylContact O-C 3.56Å; T986-K989 PolarHBondContact O-N 2.99Å; T986-K989 VanDerWaalsContact O-N 3.14Å; T986-S990 PolarHBondContact O-N 3.05Å; T986-S990 PolarHBondContact O-OG 3.27Å
987A67Low63.3Low42 Ų42102.7 Ų102.735%0.34757%0.571SS.*Hα-helixtrans-62.9-46.9174.800000111.6A983 T984 K989 S990 D991A983-A987 WeakPolarHBondContact O-CB 3.39Å; A983-A987 PolarHBondContact O-N 3.31Å; T984-A987 PolarHBondContact O-N 3.15Å; A987-K989 PolarHBondContact O-N 3Å; A987-S990 WeakPolarHBondContact CA-OG 3.12Å; A987-S990 PolarHBondContact O-N 3.39Å; A987-S990 PolarHBondContact O-OG 3.19Å; A987-D991 PolarHBondContact O-N 2.94Å
988I62Low61.5Low118 Ų118105 Ų10561%0.60558%0.581SS**Hα-helixtrans-64.7-23.2174.4-66.7167.8000112T984T984-I988 HydrophobicContact CG2-CD1 3.93Å; T984-I988 WeakPolarHBondContact O-CB 3.44Å; T984-I988 VanDerWaalsContact O-CG1 3.3Å; T984-I988 WeakPolarHBondContact O-CG1 3.41Å; T984-I988 PolarHBondContact O-N 2.95Å
989K59.5Low60.3Low165 Ų165107.9 Ų107.972%0.71760%0.595SS**Hα-helixtrans-83.8-18.2171.2-78.8177.7177.1-1750114.1A985 T986 A987A985-K989 WeakPolarHBondContact O-CB 3.45Å; A985-K989 VanDerWaalsContact O-CG 3.24Å; A985-K989 WeakPolarHBondContact O-CG 3.47Å; A985-K989 PolarHBondContact O-N 2.63Å; A985-K989 VanDerWaalsContact O-N 3.15Å; T986-K989 CarbonylContact O-C 3.56Å; T986-K989 PolarHBondContact O-N 2.99Å; T986-K989 VanDerWaalsContact O-N 3.14Å; A987-K989 PolarHBondContact O-N 3Å
990S55.4Low59Low82 Ų82109.2 Ų109.257%0.57360%0.598SS**Hα-helixtrans-84.6-31.916744.10000112.6T986 A987 N992T986-S990 PolarHBondContact O-N 3.05Å; T986-S990 PolarHBondContact O-OG 3.27Å; A987-S990 WeakPolarHBondContact CA-OG 3.12Å; A987-S990 PolarHBondContact O-N 3.39Å; A987-S990 PolarHBondContact O-OG 3.19Å; S990-N992 VanDerWaalsContact C-N 3.3Å; S990-N992 PolarHBondContact O-N 3.43Å
991D47.2Very low57.2Low104 Ų104107.4 Ų107.456%0.55660%0.598SS**  trans-76.875175.5-75.6-33.8000112.1A987 S993A987-D991 PolarHBondContact O-N 2.94Å; D991-S993 PolarHBondContact O-N 3.15Å
992N41.8Very low55.6Low118 Ų118108 Ų10863%0.63160%0.601SS**THydrogen-bonded Turntrans-71.953.4175.6-74.4-62.5000113.2S990 Q995S990-N992 VanDerWaalsContact C-N 3.3Å; S990-N992 PolarHBondContact O-N 3.43Å; N992-Q995 PolarHBondContact OD1-NE2 3.4Å
993S46Very low54.3Low96 Ų96110.3 Ų110.367%0.67161%0.606SS**THydrogen-bonded Turntrans-130.6-12.6-179.363.80000115.4D991D991-S993 PolarHBondContact O-N 3.15Å
994L42.7Very low52.9Low154 Ų154113.5 Ų113.581%0.80662%0.615SS**  trans-115.617.7-174.3-80.9168.6000115.6N996L994-N996 VanDerWaalsContact C-N 3.3Å; L994-N996 PolarHBondContact O-N 2.97Å
995Q40.4Very low51.5Low148 Ų148115.1 Ų115.169%0.69262%0.62SS**THydrogen-bonded Turntrans-73.8-6.2-173.3-73.9177-0.600116.2N992N992-Q995 PolarHBondContact OD1-NE2 3.4Å
996N45Very low50.2Low159 Ų159116.7 Ų116.785%0.8563%0.628SS**THydrogen-bonded Turntrans-114.77.6-160.2-82.4-18.8000118.1L994L994-N996 VanDerWaalsContact C-N 3.3Å; L994-N996 PolarHBondContact O-N 2.97Å
997Q43.7Very low48.8Very low173 Ų173116.4 Ų116.481%0.80863%0.629SS**SBendtrans-1271.1-168.3-72.3-161.8-7.100120.1
998H41.1Very low47.6Very low122 Ų122116.5 Ų116.557%0.56563%0.633SS**  trans-152.993.4168.5-122-75000115.2T1000 L1001H998-T1000 PolarHBondContact ND1-OG1 3.49Å; H998-T1000 VanDerWaalsContact ND1-OG1 3.08Å; H998-T1000 PolarHBondContact O-N 3.12Å; H998-L1001 HydrophobicContact CB-CD1 4.28Å; H998-L1001 PolarHBondContact O-N 2.87Å
999P52.2Low46.7Very low119 Ų119115.7 Ų115.777%0.77363%0.63SS**Hα-helixtrans-67.6-18.817927.2-34.4000113.7
1000T54.3Low45.9Very low86 Ų86114.6 Ų114.653%0.52863%0.627SS.*Hα-helixtrans-71.6-31.9-179.4-11.40000113.8H998H998-T1000 PolarHBondContact ND1-OG1 3.49Å; H998-T1000 VanDerWaalsContact ND1-OG1 3.08Å; H998-T1000 PolarHBondContact O-N 3.12Å
1001L45.6Very low45.3Very low100 Ų100114.8 Ų114.852%0.52463%0.625SS.*Hα-helixtrans-73.4-43.5-170.7-100.9163.1000112.7H998 K1003 L1004 I1005H998-L1001 HydrophobicContact CB-CD1 4.28Å; H998-L1001 PolarHBondContact O-N 2.87Å; L1001-K1003 PolarHBondContact O-N 3.07Å; L1001-K1003 VanDerWaalsContact O-N 3.14Å; L1001-L1004 PolarHBondContact O-N 3.06Å; L1001-I1005 HydrophobicContact CD2-CD1 4.3Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.32Å; L1001-I1005 PolarHBondContact O-N 3.11Å; L1001-I1005 VanDerWaalsContact O-N 3.12Å
1002N45.2Very low45Very low114 Ų114116.7 Ų116.761%0.6163%0.628SS**Hα-helixtrans-57.6-30.9178.4-73.2-16.6000112.5I1005 C1006N1002-I1005 PolarHBondContact O-N 3.36Å; N1002-C1006 PolarHBondContact O-N 2.93Å; N1002-C1006 PolarHBondContact O-SG 3.17Å
1003K50.5Low45.1Very low172 Ų172114.8 Ų114.875%0.74862%0.621SS**Hα-helixtrans-71.7-35.7-178.8-150.8170.5-172.2177.30113L1001 S1007L1001-K1003 PolarHBondContact O-N 3.07Å; L1001-K1003 VanDerWaalsContact O-N 3.14Å; K1003-S1007 PolarHBondContact O-N 3.02Å; K1003-S1007 PolarHBondContact O-OG 3.34Å; K1003-S1007 VanDerWaalsContact O-OG 3.14Å
1004L47Very low44.7Very low124 Ų124114.3 Ų114.365%0.64961%0.613SS**Hα-helixtrans-74-39.2172.7-89.479.9000112.2L1001 C1006 S1007 G1008L1001-L1004 PolarHBondContact O-N 3.06Å; L1004-C1006 PolarHBondContact O-N 3.38Å; L1004-S1007 PolarHBondContact O-OG 2.98Å; L1004-G1008 PolarHBondContact O-N 2.86Å; L1004-G1008 VanDerWaalsContact O-N 3.14Å
1005I48.9Very low44.5Very low91 Ų91113.3 Ų113.347%0.46761%0.605SS.*Hα-helixtrans-64.9-39.8-176-67.8167.8000111L1001 N1002 I1009L1001-I1005 HydrophobicContact CD2-CD1 4.3Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.32Å; L1001-I1005 PolarHBondContact O-N 3.11Å; L1001-I1005 VanDerWaalsContact O-N 3.12Å; N1002-I1005 PolarHBondContact O-N 3.36Å; I1005-I1009 HydrophobicContact CG2-CD1 4.43Å; I1005-I1009 WeakPolarHBondContact O-CD1 2.99Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.5Å
1006C45.1Very low44.7Very low83 Ų83112.1 Ų112.156%0.56160%0.602SS**Hα-helixtrans-71.1-48.6175.7-66.30000112.8N1002 L1004 G1008 I1009N1002-C1006 PolarHBondContact O-N 2.93Å; N1002-C1006 PolarHBondContact O-SG 3.17Å; L1004-C1006 PolarHBondContact O-N 3.38Å; C1006-G1008 VanDerWaalsContact C-N 3.31Å; C1006-G1008 PolarHBondContact O-N 3.4Å; C1006-I1009 PolarHBondContact O-N 3.47Å
1007S44.7Very low44.5Very low75 Ų75110.5 Ų110.552%0.52459%0.593SS.*Hα-helixtrans-68.8-26-173.763.80000114.5K1003 L1004 T1011K1003-S1007 PolarHBondContact O-N 3.02Å; K1003-S1007 PolarHBondContact O-OG 3.34Å; K1003-S1007 VanDerWaalsContact O-OG 3.14Å; L1004-S1007 PolarHBondContact O-OG 2.98Å; S1007-T1011 PolarHBondContact O-OG1 2.94Å
1008G42.3Very low44.4Very low43 Ų43110.4 Ų110.444%0.44359%0.59SS.*Hα-helixtrans-79.6-10.8-178.800000115.6L1004 C1006L1004-G1008 PolarHBondContact O-N 2.86Å; L1004-G1008 VanDerWaalsContact O-N 3.14Å; C1006-G1008 VanDerWaalsContact C-N 3.31Å; C1006-G1008 PolarHBondContact O-N 3.4Å
1009I43.4Very low44.2Very low102 Ų102111 Ų11152%0.52360%0.597SS.*Hα-helixtrans-104.8-45.3-172.4-63.8177.3000111.5I1005 C1006 T1011 K1012 V1013I1005-I1009 HydrophobicContact CG2-CD1 4.43Å; I1005-I1009 WeakPolarHBondContact O-CD1 2.99Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.5Å; C1006-I1009 PolarHBondContact O-N 3.47Å; I1009-T1011 VanDerWaalsContact C-N 3.26Å; I1009-T1011 PolarHBondContact O-N 3.16Å; I1009-K1012 PolarHBondContact O-N 3.32Å; I1009-V1013 HydrophobicContact CG2-CG2 4.3Å; I1009-V1013 WeakPolarHBondContact O-CG2 3.4Å; I1009-V1013 PolarHBondContact O-N 3.08Å
1010E40.9Very low43.1Very low141 Ų141108.8 Ų108.866%0.65960%0.596SS**Hα-helixtrans-61.8-33.2-178.1-63.2-17613300113K1012 T1014E1010-K1012 PolarHBondContact O-N 2.68Å; E1010-T1014 WeakPolarHBondContact O-CG2 3.4Å; E1010-T1014 PolarHBondContact O-N 3.48Å; E1010-T1014 PolarHBondContact O-OG1 3.36Å
1011T43Very low42Very low86 Ų86113.3 Ų113.353%0.52861%0.609SS.*Hα-helixtrans-69-28.9179.641.90000113.8S1007 I1009 T1014S1007-T1011 PolarHBondContact O-OG1 2.94Å; I1009-T1011 VanDerWaalsContact C-N 3.26Å; I1009-T1011 PolarHBondContact O-N 3.16Å; T1011-T1014 PolarHBondContact O-OG1 2.74Å
1012K42.2Very low41.3Very low145 Ų145117.1 Ų117.163%0.6362%0.624SS**Hα-helixtrans-91.3-32178-71.3-176.3176.5178.70113.3I1009 E1010 T1014 E1015 I1016I1009-K1012 PolarHBondContact O-N 3.32Å; E1010-K1012 PolarHBondContact O-N 2.68Å; K1012-T1014 VanDerWaalsContact C-N 3.28Å; K1012-T1014 PolarHBondContact O-N 2.91Å; K1012-E1015 PolarHBondContact O-N 3.17Å; K1012-I1016 WeakPolarHBondContact O-CG1 3.36Å; K1012-I1016 PolarHBondContact O-N 3.42Å
1013V42.2Very low40.6Very low78 Ų78120.9 Ų120.947%0.47363%0.631SS.*Hα-helixtrans-67-31.1175.6175.50000111.4I1009 N1017I1009-V1013 HydrophobicContact CG2-CG2 4.3Å; I1009-V1013 WeakPolarHBondContact O-CG2 3.4Å; I1009-V1013 PolarHBondContact O-N 3.08Å; V1013-N1017 PolarHBondContact O-ND2 3.26Å
1014T39.1Very low39.6Very low85 Ų85119 Ų11952%0.52163%0.629SS.*Hα-helixtrans-78.7-21.3178.946.30000114.9E1010 T1011 K1012E1010-T1014 WeakPolarHBondContact O-CG2 3.4Å; E1010-T1014 PolarHBondContact O-N 3.48Å; E1010-T1014 PolarHBondContact O-OG1 3.36Å; T1011-T1014 PolarHBondContact O-OG1 2.74Å; K1012-T1014 VanDerWaalsContact C-N 3.28Å; K1012-T1014 PolarHBondContact O-N 2.91Å
1015E38.8Very low38.7Very low133 Ų133118.7 Ų118.762%0.62164%0.637SS**Hα-helixtrans-80.8-41.1172.2-70.1-167.4133.700112.5K1012 N1017 K1018K1012-E1015 PolarHBondContact O-N 3.17Å; E1015-N1017 VanDerWaalsContact C-N 3.26Å; E1015-N1017 PolarHBondContact O-N 3.48Å; E1015-K1018 PolarHBondContact O-N 2.94Å; E1015-K1018 VanDerWaalsContact O-N 3.13Å
1016I43.7Very low37.8Very low123 Ų123120.5 Ų120.563%0.63165%0.648SS**Hα-helixtrans-59.2-39.6179.4-67.6168.1000110.9K1012 K1018 N1019K1012-I1016 WeakPolarHBondContact O-CG1 3.36Å; K1012-I1016 PolarHBondContact O-N 3.42Å; I1016-K1018 PolarHBondContact O-N 3.46Å; I1016-N1019 PolarHBondContact O-N 3.29Å
1017N40.6Very low37.1Very low126 Ų126124 Ų12467%0.67466%0.661SS**THydrogen-bonded Turntrans-73.1-4-179.4-72.6-26000115.2V1013 E1015V1013-N1017 PolarHBondContact O-ND2 3.26Å; E1015-N1017 VanDerWaalsContact C-N 3.26Å; E1015-N1017 PolarHBondContact O-N 3.48Å
1018K42Very low36.4Very low170 Ų170128.2 Ų128.274%0.73968%0.676SS**THydrogen-bonded Turntrans-88-19.8174.8-72.8176.4179.9172.70113.7E1015 I1016 G1020E1015-K1018 PolarHBondContact O-N 2.94Å; E1015-K1018 VanDerWaalsContact O-N 3.13Å; I1016-K1018 PolarHBondContact O-N 3.46Å; K1018-G1020 PolarHBondContact O-N 3.4Å
1019N37.6Very low35.8Very low134 Ų134133.5 Ų133.572%0.71769%0.692SS**SBendtrans-97.572.8-178.6-68.8-36.3000110.4I1016 F1021I1016-N1019 PolarHBondContact O-N 3.29Å; N1019-F1021 PolarHBondContact O-N 2.99Å; N1019-F1021 VanDerWaalsContact O-N 3.16Å
1020G28.9Very low35.1Very low73 Ų73134 Ų13475%0.75370%0.702SS**  trans-61.6110.7-165.400000115.8K1018K1018-G1020 PolarHBondContact O-N 3.4Å
1021F30.2Very low34.6Very low182 Ų182134.1 Ų134.180%0.79871%0.713SS**  trans-104.995.8154-97.1-84.2000109.2N1019 Y1023N1019-F1021 PolarHBondContact O-N 2.99Å; N1019-F1021 VanDerWaalsContact O-N 3.16Å; F1021-Y1023 HydrophobicContact CD1-CD2 4.21Å; F1021-Y1023 AromaticContact CD1-CE2 3.82Å; F1021-Y1023 HydrophobicContact CD1-CE2 3.82Å; F1021-Y1023 HydrophobicContact CE1-CE2 4.33Å; F1021-Y1023 PolarHBondContact O-N 3.13Å
1022H30.8Very low34Very low180 Ų180135.2 Ų135.283%0.83372%0.724SS**  trans-84.1107.3172.4-147.576.9000108.3
1023Y29.9Very low33.4Very low193 Ų193134.7 Ų134.776%0.75773%0.733SS**  trans-112.3118.5170.1-96.5-74.5000108.4F1021 S1025F1021-Y1023 HydrophobicContact CD1-CD2 4.21Å; F1021-Y1023 AromaticContact CD1-CE2 3.82Å; F1021-Y1023 HydrophobicContact CD1-CE2 3.82Å; F1021-Y1023 HydrophobicContact CE1-CE2 4.33Å; F1021-Y1023 PolarHBondContact O-N 3.13Å; Y1023-S1025 PolarHBondContact O-N 2.88Å
1024N31.2Very low32.6Very low133 Ų133137 Ų13771%0.71175%0.751SS**  trans-61.2123.4-177.9-71.86.7000110.8D1026N1024-D1026 PolarHBondContact O-N 2.77Å
1025S26.8Very low32.1Very low116 Ų116138 Ų13881%0.81176%0.762SS**  trans-93.274.8-178.757.30000111.1Y1023Y1023-S1025 PolarHBondContact O-N 2.88Å
1026D30Very low31.7Very low129 Ų129140.5 Ų140.569%0.6977%0.773SS**  trans-128.6148.9173.1-79-60.9000111.2N1024N1024-D1026 PolarHBondContact O-N 2.77Å
1027N31.1Very low31Very low158 Ų158141.5 Ų141.585%0.84578%0.779SS**SBendtrans72.544.1176.2-53.5-58.5000118.4
1028I29.9Very low30.5Very low162 Ų162143.6 Ų143.683%0.83179%0.79SS**  trans-129.7104.6146.7-57.5-177.8000109.7
1029I29.6Very low29.8Very low154 Ų154144.7 Ų144.779%0.7979%0.791SS**  trans-88.6124.7166.9-62.2173.3000107.8
1030P28.2Very low29.5Very low113 Ų113146.2 Ų146.273%0.73479%0.794SS**  trans-88.8134.3176.833.6-32.1000111.8
1031T31Very low29.5Very low143 Ų143149.7 Ų149.788%0.87780%0.795SS**  trans-131.5150.9161.5500000110
1032S29.7Very low29.5Very low110 Ų110144.9 Ų144.977%0.76979%0.79SS**  trans-122.3151.5-154.251.50000114.6
1033T31Very low29.3Very low134 Ų134142.5 Ų142.582%0.82279%0.788SS**  trans172.4125.6145.524.40000106.4
1034C24.9Very low29.3Very low125 Ų125139.3 Ų139.385%0.84579%0.793SS**  51.8129.368.5-68.30000112.6
1035S27.9Very low29.1Very low108 Ų108141 Ų14176%0.75580%0.802SS**  cis-152.4-179.22.543.70000107.4
1036E30.8Very low29.3Very low184 Ų184143.4 Ų143.486%0.8681%0.805SS**  cis-145.6172.927.7-64.2176.3119.100112.4
1037L28.5Very low29.2Very low144 Ų144142.7 Ų142.775%0.75481%0.81SS**  trans-99.5156.9173.4-71.6159000110.6
1038N30.4Very low29Very low170 Ų170141.7 Ų141.791%0.90981%0.81SS**  trans-145.5154.8133.4-121.5-38.5000111.5
1039Y27.2Very low29Very low193 Ų193140 Ų14076%0.75781%0.806SS**  trans-117.4-173.4-162.4-121.8-100.8000111.9
1040Q31Very low29.1Very low167 Ų167140.1 Ų140.178%0.7881%0.807SS**  trans90132.7175.1-54175.83.500114.5
1041N30.1Very low29.4Very low145 Ų145139.4 Ų139.478%0.77580%0.802SS**  cis-152.9177.5-3.5-117.2-16.1000114
1042A29.5Very low29.6Very low82 Ų82137.9 Ų137.968%0.67880%0.795SS**  trans-27.8134.318000000116.7
1043V27.2Very low30Very low130 Ų130138.4 Ų138.479%0.78880%0.796SS**  67108.157.1179.90000113.8
1044S29.3Very low30.5Very low125 Ų125138.2 Ų138.287%0.87480%0.797SS**  trans-159.4102.1138.6-82.20000109.4
1045L27.3Very low30.8Very low170 Ų170137.1 Ų137.189%0.8979%0.79SS**  trans-84.4133.5169.2-76163.8000108.7
1046N30.3Very low31Very low165 Ų165140 Ų14088%0.88280%0.797SS**  trans-128135.4157.2-99.1-33.5000109.4
1047S28.4Very low31.2Very low114 Ų114137.2 Ų137.280%0.79779%0.792SS**  trans-84.1139.2-16744.70000112.7
1048V27.6Very low31.2Very low138 Ų138136.9 Ų136.984%0.83679%0.785SS**  trans-127.3131.2154.9-179.40000108.8
1049V28.3Very low31.2Very low125 Ų125136.3 Ų136.376%0.75878%0.781SS**  trans-61.2137-178.3176.40000111.2P1051V1049-P1051 WeakPolarHBondContact O-CD 3.49Å
1050I32Very low31.3Very low158 Ų158131 Ų13181%0.8177%0.772SS**  trans-86.1115164.5-59.7176000107.7
1051P35.2Very low31.3Very low97 Ų97131 Ų13163%0.6377%0.772SS**PPolyproline II helixtrans-75.7155178.231.6-35.2000111.9V1049V1049-P1051 WeakPolarHBondContact O-CD 3.49Å
1052P34.6Very low31.4Very low111 Ų111130 Ų13072%0.72177%0.766SS**PPolyproline II helixtrans-69.8157.1171.631.4-35.5000111.5
1053P39Very low31.4Very low121 Ų121131.7 Ų131.779%0.78677%0.769SS**PPolyproline II helixtrans-66.3135.7173.928.4-34.1000110.9
1054P42.1Very low31.5Very low130 Ų130132.5 Ų132.584%0.84477%0.768SS**PPolyproline II helixtrans-76150.9-175.530.6-35.7000113
1055S29.3Very low31.7Very low102 Ų102132.2 Ų132.271%0.71376%0.761SS**  trans-122.2121.8176.945.80000111.8
1056L33.4Very low31.7Very low169 Ų169129 Ų12989%0.88575%0.752SS**  trans-139.1118.4166-65.8173.3000105.3
1057T34Very low31.8Very low125 Ų125127.6 Ų127.677%0.76774%0.744SS**  cis77.8118.537.8-43.60000112.1
1058K28.7Very low32Very low137 Ų137129.6 Ų129.660%0.59674%0.738SS**  trans-68.4142.7-172.7-52.8172.3-176.5179.20110.6M453 E454M453-K1058 PolarHBondContact SD-NZ 2.73Å; M453-K1058 VanDerWaalsContact SD-NZ 3.35Å; E454-K1058 IonicContact OE1-NZ 2.7Å; E454-K1058 PolarHBondContact OE1-NZ 3.04Å
1059L30.2Very low32.2Very low158 Ų158132.1 Ų132.183%0.82774%0.738SS**  -171.4136123.7-12674.1000116
1060S29.4Very low32.5Very low83 Ų83130.1 Ų130.158%0.5874%0.743SS**  trans50.9121.9136.864.50000124.6
1061H30.8Very low32.2Very low166 Ų166130.5 Ų130.577%0.76975%0.745SS**  78.8126.6125-77.4-62000124
1062N32.1Very low32.1Very low123 Ų123131.3 Ų131.366%0.65875%0.75SS**  trans87.696.1130.2-66.13000123.1
1063T29.4Very low31.8Very low119 Ų119131 Ų13173%0.7375%0.751SS**  74.2155.9120.958.80000123.5
1064L31.2Very low31.4Very low147 Ų147133.2 Ų133.277%0.7775%0.754SS**  trans83.799.7153.3-73.8153.3000121.2
1065T31.7Very low30.8Very low118 Ų118131.8 Ų131.872%0.72475%0.753SS**  48.5106.3127.254.60000122.5
1066C28.4Very low31Very low104 Ų104130.8 Ų130.870%0.70376%0.759SS**  21.6126.9119.9-155.20000120.2
1067N32.8Very low30.9Very low134 Ų134128 Ų12872%0.71775%0.754SS**  177.8126107.1-100.3-69.5000116.3
1068K32.1Very low30.9Very low157 Ų157129.8 Ų129.868%0.68376%0.758SS**  73.7151.4122.6-147170.5-179.6174.70122.3
1069F32.4Very low30.9Very low191 Ų191130.4 Ų130.484%0.83877%0.768SS**  trans77.3145.6169.6-59-75.5000119.6
1070G32.6Very low31.1Very low82 Ų82130.5 Ų130.585%0.84577%0.769SS**  trans133.263.6161.200000119.6
1071I26.4Very low31.1Very low166 Ų166132.1 Ų132.185%0.85178%0.775SS**  trans-105.8142.1162.5-74.6174.2000105.9
1072P33.3Very low30.8Very low115 Ų115129.4 Ų129.475%0.74778%0.775SS**  cis-142.3169.942.531.3-7.4000120
1073S28.2Very low30.9Very low105 Ų105128.2 Ų128.273%0.73478%0.782SS**  trans-3.7139142.3-168.60000120.3
1074I31Very low30.9Very low166 Ų166127.8 Ų127.885%0.85177%0.771SS**  -163.3159.6112.9-99.5159.8000110.2
1075A30.1Very low30.7Very low101 Ų101125.9 Ų125.984%0.83576%0.759SS**  trans-72.7144-172.100000114.4
1076G33.1Very low30.7Very low80 Ų80130.1 Ų130.183%0.82577%0.773SS**  trans-138.2119.9163.800000109.1
1077S30.2Very low30.8Very low111 Ų111130.5 Ų130.578%0.77677%0.768SS**  trans-105.4122.6-177.456.70000111
1078D35Very low30.5Very low162 Ų162130.3 Ų130.387%0.86676%0.762SS**  trans-132108166.7-88.6-52.2000111.1
1079N29.3Very low30.3Very low150 Ų150129.4 Ų129.480%0.80276%0.761SS**  trans-96.8121.8160.8-73.9-64.6000108
1080L33Very low30.3Very low160 Ų160128.2 Ų128.284%0.83876%0.758SS**  trans-157.695.9158.5-96.3157.4000106.3
1081V29.5Very low30Very low117 Ų117128.5 Ų128.571%0.70975%0.747SS**  77.3108.371.6176.30000113.5
1082S26.1Very low30.2Very low110 Ų110128.6 Ų128.677%0.76975%0.748SS**  trans17.4122.2141.9-49.40000121.7
1083A32.3Very low29.8Very low98 Ų98129.5 Ų129.581%0.8175%0.746SS**  -151.5112.112500000108.2
1084H30.4Very low30Very low109 Ų109130.5 Ų130.551%0.50575%0.75SS.*  76.2114.778.5-109.255.5000115.8
1085E27.1Very low29.8Very low108 Ų108129.6 Ų129.651%0.50575%0.746SS.*  trans39126.4144.9-55.5-167.6116.100121.9
1086M32.2Very low29.6Very low206 Ų206134.3 Ų134.3100%1.01575%0.747SS**  -139.391.3115.1-115.3-165.6144.300110.6
1087N29.8Very low29.5Very low113 Ų113134.5 Ų134.560%0.60474%0.736SS**  trans-102.1125171.9-172.86.3000107.8
1088Q27.8Very low29.4Very low129 Ų129133.6 Ų133.660%0.60373%0.73SS**  trans173.1136.6148.4-99.5161.3105.200115.5
1089Q26.3Very low29Very low138 Ų138133.8 Ų133.865%0.64573%0.731SS**  trans67150.6145.8-58175.750.900117.7
1090H32.1Very low28.9Very low167 Ų167132.2 Ų132.277%0.77373%0.726SS**  cis-123.6155.65.9-87-81.4000114.7
1091S26.4Very low28.6Very low88 Ų88133.7 Ų133.762%0.61573%0.726SS**  trans-51.5136.1162.1140.80000114.1
1092L30.6Very low28.5Very low168 Ų168134.9 Ų134.988%0.8873%0.728SS**  trans-138.5114138.3-84.4-177000110.6
1093N26.4Very low28.4Very low133 Ų133140.6 Ų140.671%0.71173%0.732SS**  trans-86.2123.2170.2-72-70.5000110I1095N1093-I1095 PolarHBondContact O-N 2.63Å
1094P31.6Very low28.3Very low126 Ų126141.5 Ų141.582%0.81873%0.728SS**  trans-75.594.4163.630.3-31.1000109.2K1096P1094-K1096 PolarHBondContact O-N 2.8Å
1095I26.6Very low28.1Very low148 Ų148140.8 Ų140.876%0.75974%0.735SS**  trans-57.8128.6171.3-65.2166.7000109N1093N1093-I1095 PolarHBondContact O-N 2.63Å
1096K26.8Very low28.1Very low200 Ų200143.8 Ų143.887%0.8776%0.755SS**  trans-116.298.7154.2-76.1-161.7172.4-170.20109.2P1094P1094-K1096 PolarHBondContact O-N 2.8Å
1097S29.5Very low28Very low83 Ų83138 Ų13858%0.5875%0.748SS**  trans-49.5130.5159.535.10000109.1
1098S28.4Very low28.2Very low93 Ų93137.2 Ų137.265%0.6576%0.757SS**  61.584.160830000112.4V1100S1098-V1100 PolarHBondContact O-N 3.03Å
1099D26.7Very low28.4Very low166 Ų166136.8 Ų136.889%0.88877%0.766SS**  trans29.176.1148.2-54.9-49.4000117.8
1100V27.4Very low28.4Very low117 Ų117135 Ų13571%0.70977%0.769SS**  trans-93.796.8159.91780000108.9S1098 L1102S1098-V1100 PolarHBondContact O-N 3.03Å; V1100-L1102 VanDerWaalsContact C-N 3.3Å; V1100-L1102 HydrophobicContact CG1-CD1 4.04Å; V1100-L1102 HydrophobicContact CG1-CG 3.97Å; V1100-L1102 PolarHBondContact O-N 3.12Å
1101K26.3Very low28.3Very low190 Ų190134.2 Ų134.283%0.82677%0.768SS**  trans-81.666.4-176.3-167.4179.4-174.8176.30111.5R1103K1101-R1103 PolarHBondContact O-N 3.49Å
1102L27.6Very low28.2Very low143 Ų143136.4 Ų136.475%0.74977%0.773SS**  trans-71.196.5178.3-90.7165.9000111.6V1100 T1104V1100-L1102 VanDerWaalsContact C-N 3.3Å; V1100-L1102 HydrophobicContact CG1-CD1 4.04Å; V1100-L1102 HydrophobicContact CG1-CG 3.97Å; V1100-L1102 PolarHBondContact O-N 3.12Å; L1102-T1104 PolarHBondContact O-N 3.16Å
1103R23.8Very low28Very low229 Ų229135.5 Ų135.586%0.86476%0.764SS**  trans-76.7100.8163.7-87.2176.8152.4-177.2-7.5109.7K1101K1101-R1103 PolarHBondContact O-N 3.49Å
1104T29.7Very low28Very low117 Ų117134.5 Ų134.572%0.71876%0.758SS**  trans-151.1126.6155.647.70000108.1L1102L1102-T1104 PolarHBondContact O-N 3.16Å
1105S26.7Very low27.8Very low94 Ų94134.7 Ų134.766%0.65775%0.752SS**  cis167.8121.7-18.935.50000105
1106N27.4Very low27.8Very low171 Ų171132.7 Ų132.791%0.91475%0.747SS**  trans54.7120.8155.8-47.8-9000118.3
1107G30.7Very low27.9Very low85 Ų85129.4 Ų129.488%0.87674%0.739SS**  trans175.126.2175.800000119.8
1108A34.6Very low27.7Very low96 Ų96133.2 Ų133.279%0.79375%0.746SS**  trans-91.9148.7156.500000107.9
1109P30.1Very low27.7Very low120 Ų120135.2 Ų135.278%0.77974%0.744SS**  -14616792.539.7-25.2000115.9
1110S28.1Very low27.7Very low102 Ų102134.7 Ų134.771%0.71373%0.734SS**  trans-71.9147.3161.851.80000113.2
1111I28.2Very low27.7Very low149 Ų149138 Ų13876%0.76474%0.739SS**  trans-159.4110.5151.9-97.8141000104.4
1112L25.1Very low28.1Very low135 Ų135132.8 Ų132.871%0.70773%0.732SS**  88.6131.267.9-83.4167.6000113.4
1113H27.1Very low28.7Very low149 Ų149131.5 Ų131.569%0.6973%0.732SS**  trans83.2108.5150.2-78.95.9000122.4
1114N26.8Very low28.9Very low111 Ų111126.4 Ų126.459%0.59473%0.726SS**  89.8113.9112.2-66.17.6000121.2
1115N26.3Very low28.8Very low130 Ų130127.9 Ų127.970%0.69573%0.728SS**  104.5132.5115.2-75.811.8000121.8
1116T27.4Very low28.9Very low106 Ų106129.3 Ų129.365%0.6573%0.727SS**  trans71.495.413955.80000121.4
1117D27.5Very low28.9Very low131 Ų131129.6 Ų129.670%0.70172%0.72SS**  91.3162.8105.2-63.4-11.4000124
1118F26Very low28.7Very low164 Ų164131.1 Ų131.172%0.71971%0.713SS**  trans75.185.4155.7-73.3-67000121.5
1119H28.4Very low28.5Very low135 Ų135133.2 Ų133.263%0.62572%0.716SS**  71126.7111.4-91.6-135.6000122.4
1120K27.6Very low28.4Very low154 Ų154133.8 Ų133.867%0.6771%0.712SS**  trans62.3152.1142.7-57.1177.8176.3177.50116.2
1121F26.9Very low28.6Very low188 Ų188135.7 Ų135.783%0.82572%0.72SS**  cis-155.1159.537.6-102.1-81.7000112.2
1122A35Very low28.7Very low80 Ų80133.2 Ų133.266%0.66172%0.716SS**  trans-101.8-162.2156.300000107.8
1123P40.2Very low28.9Very low115 Ų115132.7 Ų132.775%0.74771%0.714SS**  cis-143-136.72.730.4-1.7000112.4
1124V28.3Very low29.2Very low123 Ų123132.7 Ų132.775%0.74571%0.714SS**  trans89.3139.5152.7158.80000119.1
1125L27.5Very low29.3Very low147 Ų147131.8 Ų131.877%0.7772%0.716SS**  cis-175.2-179.6-25.7-158.569.3000109.6
1126I27.3Very low29.4Very low124 Ų124132.2 Ų132.264%0.63672%0.723SS**  trans114.7102.3143.2-55.1-136.4000120.6
1127K28.7Very low29.5Very low177 Ų177133.3 Ų133.377%0.7773%0.729SS**  trans7197.9136.8-65.9175.1-166.6173.40124.4
1128T26.4Very low29.9Very low117 Ų117131.8 Ų131.872%0.71873%0.727SS**  24.1140.1101.6-20.80000121.9
1129V29.6Very low29.9Very low141 Ų141133.3 Ų133.386%0.85573%0.733SS**  -164.3152.9119.6141.40000110.2
1130N28.7Very low29.9Very low131 Ų131134 Ų13470%0.70174%0.737SS**  trans-107.3161.2-177.4-52.7-43000112
1131T31Very low30Very low143 Ų143131.8 Ų131.888%0.87774%0.736SS**  -167.1156.9112.323.60000114.9
1132S30.8Very low30.2Very low97 Ų97130.2 Ų130.268%0.67873%0.731SS**  trans-72.5-179.1174.454.70000113
1133N30.7Very low30.1Very low124 Ų124132 Ų13266%0.66373%0.729SS**  cis-170.5175.730.6-145.4-2.9000115.1
1134H32.5Very low29.7Very low149 Ų149133.3 Ų133.369%0.6973%0.73SS**  trans6896153.9-76-61000124.5
1135S28.7Very low29.9Very low91 Ų91136.2 Ų136.264%0.63673%0.733SS**  28.9134.5112.863.30000123.4
1136V29.3Very low30Very low140 Ų140133 Ų13385%0.84873%0.727SS**  -177.8167.5107.1150.90000111.4
1137V29.4Very low30.2Very low128 Ų128134 Ų13478%0.77673%0.734SS**  trans-104.9-164.1-159.6-152.40000112.4
1138P35.3Very low30.4Very low100 Ų100130.7 Ų130.765%0.64973%0.732SS**  -99.2-172-112.442.7-28000116.3
1139F26.7Very low30.7Very low195 Ų195131.2 Ų131.286%0.85573%0.73SS**  trans-165.5-161136-110.1-65.5000114.5
1140H28.2Very low30.8Very low151 Ų151131.9 Ų131.970%0.69972%0.724SS**  trans-116.6151.5-147.4-91.4-59.7000118.5
1141T28.1Very low31Very low107 Ų107134.2 Ų134.266%0.65673%0.728SS**  trans61.513813660.90000126.8
1142H32.5Very low31Very low154 Ų154133.8 Ų133.871%0.71373%0.725SS**  trans89.3111.5130.1-80.8-42.1000125
1143N31.9Very low31Very low119 Ų119136.1 Ų136.164%0.63673%0.728SS**  73.2137.1116.8-73.424.6000126
1144N32Very low31.1Very low142 Ų142135.2 Ų135.276%0.75973%0.727SS**  trans75.5144.4141.5-69.3-11.3000119.6
1145K31.7Very low31Very low184 Ų184138.5 Ų138.580%0.873%0.733SS**  cis167.4167.5-5.5177.4172.3176.5-1760104.7
1146A31Very low31.1Very low79 Ų79140.7 Ų140.765%0.65374%0.738SS**  trans76148.2169.200000116
1147D32.1Very low31.2Very low145 Ų145138.4 Ų138.478%0.77573%0.728SS**  cis-160.8161.7-17-112.8-33.6000111.1
1148C31.8Very low31.3Very low108 Ų108139.6 Ų139.673%0.7373%0.73SS**  trans62.6161.5160.4-63.70000118.2
1149D32.1Very low31Very low127 Ų127139.3 Ų139.368%0.67973%0.73SS**  cis-152.6153.1-5.6-133.5-24.1000115.1
1150H32.5Very low31.5Very low156 Ų156137.3 Ų137.372%0.72272%0.723SS**  trans22.8152.9151.9-80.4-48000127.6
1151K33.4Very low31.7Very low180 Ų180135.7 Ų135.778%0.78372%0.72SS**  trans81.2118.8159.7-67.3148.8-174.9168.30116.9
1152V29.6Very low32Very low134 Ų134136.4 Ų136.481%0.81272%0.72SS**  cis82.8147.933.6-1710000113.9
1153I32.1Very low32.1Very low145 Ų145136.1 Ų136.174%0.74472%0.724SS**  trans107.471.9172.8-51.7179.4000117.1
1154T32.1Very low32Very low106 Ų106134.8 Ų134.865%0.6572%0.723SS**  40145.3121.269.20000125.4
1155R30.8Very low32Very low218 Ų218134.6 Ų134.682%0.82372%0.722SS**  trans101116.3130.8-88.2160.8-175.3175.92.7122.2
1156N30Very low32Very low136 Ų136132.4 Ų132.473%0.72772%0.719SS**  83.3112.7123.8-73.316.1000124.3
1157S31.3Very low31.9Very low92 Ų92135.1 Ų135.164%0.64372%0.722SS**  96.8139.4111.474.60000122.6
1158N31.5Very low31.9Very low154 Ų154134.7 Ų134.782%0.82472%0.718SS**  trans68.7151.4147.5-64.3-8.7000119.3
1159S30.4Very low31.8Very low93 Ų93136.1 Ų136.165%0.6572%0.718SS**  cis-165.8163-21-170.20000111.8
1160H35.4Very low31.9Very low153 Ų153137.6 Ų137.671%0.70873%0.726SS**  trans62.3114150.7-82-33.3000125.1
1161N33.9Very low31.7Very low118 Ų118133.6 Ų133.663%0.63173%0.727SS**  82.1129.3113.1-74.519.7000125.5
1162N33.9Very low31.7Very low122 Ų122132.1 Ų132.165%0.65273%0.733SS**  trans86.6115.6130.2-69-0.7000122.8
1163N33.7Very low31.6Very low148 Ų148132.9 Ų132.979%0.79173%0.733SS**  69.2152.7128.6-68.8-1.3000119.4
1164S31.5Very low31.7Very low90 Ų90135.3 Ų135.363%0.62974%0.741SS**  cis-165.7154.94.224.60000114
1165N31.3Very low31.5Very low139 Ų139139.4 Ų139.474%0.74374%0.744SS**  trans72.4153.5143.8-63.6-9.9000122.6
1166N32Very low31.6Very low138 Ų138136.6 Ų136.674%0.73874%0.744SS**  trans78146.9150.9-68.5-7.5000120.7
1167I29.2Very low31.5Very low136 Ų136134.7 Ų134.770%0.69773%0.734SS**  cis-168.8170.6-27.6-144.2166.4000110.1
1168I31.7Very low31.5Very low135 Ų135140 Ų14069%0.69275%0.745SS**  trans75.1103.3163-81.1164.4000120.5
1169N30Very low31.5Very low138 Ų138140.4 Ų140.474%0.73874%0.742SS**  40.7154.6113.2-63.4-3.7000125
1170N33.1Very low31.4Very low158 Ų158144.7 Ų144.785%0.84575%0.754SS**  trans78.9132.2165.3-52.9-22.3000116.5
1171G28Very low31.1Very low72 Ų72144.4 Ų144.474%0.74276%0.757SS**  cis124.3105.1-1600000115.7
1172T33.8Very low31Very low149 Ų149146.6 Ų146.691%0.91477%0.768SS**  trans-156.8153.8161.718.20000110.9
1173N28.9Very low30.8Very low150 Ų150146 Ų14680%0.80277%0.77SS**  trans-94.6153178.2-61.2-75.9000111.5
1174H33.8Very low30.7Very low197 Ų197144.4 Ų144.491%0.91277%0.768SS**  trans-146.1140.4133.2-108.7-71.4000111.2
1175R26.8Very low31Very low191 Ų191145.6 Ų145.672%0.72177%0.774SS**  trans-127.6129.5-174.2168.8-175.6173.6-178.3-2.7108.9D1177R1175-D1177 IonicContact CZ-OD2 3.16Å; R1175-D1177 IonicContact NE-OD1 3.93Å; R1175-D1177 PolarHBondContact NE-OD1 3.14Å; R1175-D1177 IonicContact NE-OD2 3.91Å; R1175-D1177 PolarHBondContact NE-OD2 3.05Å; R1175-D1177 IonicContact NH2-OD1 2.77Å; R1175-D1177 IonicContact NH2-OD2 2.71Å; R1175-D1177 PolarHBondContact NH2-OD2 3.19Å
1176I32.8Very low31.2Very low160 Ų160144.1 Ų144.182%0.82177%0.771SS**  trans-137.7112162.1-61-176.7000107.3
1177D28.8Very low31Very low96 Ų96143.4 Ų143.451%0.51378%0.775SS.*  trans-83.4136177.6-56.5-54.9000110.8R1175R1175-D1177 IonicContact CZ-OD2 3.16Å; R1175-D1177 IonicContact NE-OD1 3.93Å; R1175-D1177 PolarHBondContact NE-OD1 3.14Å; R1175-D1177 IonicContact NE-OD2 3.91Å; R1175-D1177 PolarHBondContact NE-OD2 3.05Å; R1175-D1177 IonicContact NH2-OD1 2.77Å; R1175-D1177 IonicContact NH2-OD2 2.71Å; R1175-D1177 PolarHBondContact NH2-OD2 3.19Å
1178K31.8Very low31.2Very low202 Ų202145 Ų14588%0.87878%0.783SS**  trans-141.9106.7152.3-75-161.1175.7-177.60110.7
1179H29.9Very low31.1Very low164 Ų164146.1 Ų146.176%0.75979%0.79SS**  trans-66146.6166.4-76-111.1000110.8
1180M28.6Very low30.9Very low183 Ų183145.1 Ų145.190%0.90179%0.791SS**  trans-143.3141.1141-98.2-58.1164.200109.8
1181N29.8Very low30.7Very low146 Ų146146.4 Ų146.478%0.78179%0.794SS**  trans-84.7148.5-176.9-68.4-32.2000111.4
1182I31.4Very low30.9Very low165 Ų165151.3 Ų151.385%0.84680%0.797SS**  trans-110.5132.8168.6-63.6179.6000107.3
1183P31Very low30.4Very low109 Ų109152.1 Ų152.171%0.70879%0.794SS**PPolyproline II helixtrans-76.6162.4-16530.1-37.1000114.4
1184P31Very low30.6Very low115 Ų115153.6 Ų153.675%0.74780%0.796SS**PPolyproline II helixtrans-68.6156.7173.530.5-36.4000112.5
1185P37.6Very low30.3Very low115 Ų115148.5 Ų148.575%0.74778%0.783SS**PPolyproline II helixtrans-67.4155.6173.429.8-35.5000112.2
1186P34.4Very low30.3Very low107 Ų107147.1 Ų147.170%0.69579%0.79SS**PPolyproline II helixtrans-72.6153.3-174.530.2-36.5000113.3L1188P1186-L1188 PolarHBondContact O-N 3.41Å
1187P28.9Very low30.2Very low124 Ų124145.9 Ų145.981%0.80579%0.789SS**PPolyproline II helixtrans-74.6119.6172.530.8-32.7000110.5
1188L32.7Very low30.1Very low169 Ų169149.4 Ų149.489%0.88580%0.797SS**PPolyproline II helixtrans-88.2127.5169.6-70.8177.2000110.4P1186P1186-L1188 PolarHBondContact O-N 3.41Å
1189L30.4Very low30.2Very low159 Ų159146.2 Ų146.283%0.83279%0.794SS**PPolyproline II helixtrans-75156.5-175.9-72.5163.3000112.2M1191L1189-M1191 PolarHBondContact O-N 3.36Å
1190P26.1Very low30.1Very low116 Ų116144.6 Ų144.675%0.75379%0.791SS**PPolyproline II helixtrans-72.2122.2177.129.5-34000111.5H1192P1190-H1192 PolarHBondContact O-N 2.9Å; P1190-H1192 VanDerWaalsContact O-N 3.15Å
1191M28.2Very low30.2Very low185 Ų185139.5 Ų139.591%0.91179%0.785SS**  trans-68.9103.9166.6-87.2-80.5-73.600109.9L1189L1189-M1191 PolarHBondContact O-N 3.36Å
1192H31.8Very low30.1Very low175 Ų175138.5 Ų138.581%0.8178%0.784SS**  trans-84.4143.5160.9-100.3-17.1000110.1P1190 H1194P1190-H1192 PolarHBondContact O-N 2.9Å; P1190-H1192 VanDerWaalsContact O-N 3.15Å; H1192-H1194 PolarHBondContact O-N 3.12Å
1193I24.9Very low29.9Very low167 Ų167138.3 Ų138.386%0.85678%0.784SS**  trans-67.6128.9169.4-59.7165000107.7
1194H31.6Very low29.6Very low180 Ų180137.6 Ų137.683%0.83378%0.781SS**  trans-137.7135162.1-128-85.3000110.3H1192H1192-H1194 PolarHBondContact O-N 3.12Å
1195S28.3Very low29.4Very low91 Ų91137 Ų13764%0.63678%0.78SS**  trans-81.7161.7-178.652.70000112.3
1196D26.1Very low28.9Very low161 Ų161135.9 Ų135.986%0.86178%0.78SS**  trans-59.3140.8-172.5-45.5-90.9000114.1
1197V31.4Very low28.7Very low135 Ų135137.8 Ų137.882%0.81879%0.785SS**  trans-136.9124.8158.4178.70000107.9
1198Y26.7Very low28.5Very low170 Ų170135.9 Ų135.967%0.66777%0.774SS**  trans-82.3132.5-179.6-138.5-97.4000110.2
1199V32.4Very low28.1Very low134 Ų134134.1 Ų134.181%0.81277%0.765SS**  trans-145.4126.7159.3-174.50000108.1
1200D29.1Very low27.9Very low131 Ų131134.7 Ų134.770%0.70176%0.761SS**  trans-70.5146.1179.3-75.5-75.6000113.4
1201G31.1Very low27.8Very low76 Ų76134.6 Ų134.678%0.78475%0.754SS**  trans-162.962.8-174.600000112.1L1203G1201-L1203 PolarHBondContact O-N 3.01Å
1202V27Very low27.6Very low124 Ų124133.4 Ų133.475%0.75274%0.744SS**  trans-67.2126.8-176.8-178.90000111.3
1203L26.2Very low27.3Very low162 Ų162130.8 Ų130.885%0.84874%0.736SS**  -176.2103.6126.4-98.4166.6000114.3G1201G1201-L1203 PolarHBondContact O-N 3.01Å
1204S26Very low27.5Very low94 Ų94130.5 Ų130.566%0.65773%0.729SS**  trans48.9125.7136.7-150.30000122.8
1205S26.8Very low27.4Very low103 Ų103128.9 Ų128.972%0.7272%0.721SS**  trans49.2131.7135.963.40000120.6
1206A27.8Very low27.5Very low91 Ų91130.2 Ų130.275%0.75272%0.721SS**  cis-168.5-163.72.200000107.4
1207N28.5Very low27.6Very low147 Ų147131.9 Ų131.979%0.78672%0.717SS**  cis-155.6176.77.9-156.618000113.3
1208S25.6Very low27.4Very low83 Ų83130.2 Ų130.258%0.5871%0.71SS**  trans-78.7173167.867.30000112.5
1209L25.1Very low27.6Very low133 Ų133129.3 Ų129.370%0.69672%0.717SS**  cis-161.1165.9-8.4-142.871000110.1
1210F24.3Very low27.4Very low171 Ų171127.5 Ų127.575%0.7570%0.703SS**  trans57.9110.8143.9-85.1-156.3000123.9
1211D24.9Very low27.5Very low114 Ų114128 Ų12861%0.6171%0.705SS**  81142.9100.4-107.2-15.3000126.8
1212F24.4Very low27.5Very low160 Ų160129.1 Ų129.170%0.70270%0.697SS**  trans68.8123.7146.9-83.7-56.3000126.7
1213N26Very low27.6Very low119 Ų119129.6 Ų129.664%0.63670%0.695SS**  100.9102.5125-85.8-34000124.1
1214K27.8Very low27.8Very low161 Ų161127.6 Ų127.670%0.769%0.686SS**  75.7126.7114.3-91-175.6163.4-161.60124.2
1215H30.6Very low28Very low147 Ų147129.1 Ų129.168%0.68169%0.686SS**  trans70.8164.6147.3-63.2-55.6000117.3
1216N29.4Very low28.1Very low119 Ų119130.8 Ų130.864%0.63669%0.687SS**  cis-160.317121.6-150.5-5.4000115.4
1217Y27.8Very low28.2Very low196 Ų196134.5 Ų134.577%0.76969%0.693SS**  trans62.6157.9168.6-72.1-86.7000118.9
1218C28.8Very low28.2Very low100 Ų100132.4 Ų132.468%0.67669%0.69SS**  cis-176.6154.9-37.5-112.40000110.7
1219N29.4Very low28.4Very low150 Ų150133.7 Ų133.780%0.80270%0.698SS**  -175.4155.6120.4-127.6-29000116.4
1220N29.2Very low28.6Very low97 Ų97135.5 Ų135.552%0.51971%0.708SS.*  trans-74.2153.6-168.6-54.6-55.3000117.9
1221N30.6Very low28.7Very low142 Ų142134.9 Ų134.976%0.75971%0.712SS**  154.3152.2123.2-87.8-28.8000112.7
1222T30.5Very low29.1Very low99 Ų99134.6 Ų134.661%0.60772%0.716SS**  cis179.5164.4-40.625.30000105.8
1223N30.6Very low29.1Very low133 Ų133134.9 Ų134.971%0.71172%0.719SS**  trans84.6107.8161-60.9-15.6000122.3
1224N30.4Very low29Very low121 Ų121135.8 Ų135.865%0.64772%0.723SS**  87.3102.7117.7-61.2-7.3000123.4
1225N29.8Very low29Very low126 Ų126135.5 Ų135.567%0.67473%0.729SS**  77.3128.8111.6-60-6.4000123.3
1226N29.9Very low28.7Very low138 Ų138138.3 Ų138.374%0.73873%0.734SS**  trans64.7104.2132.9-60.4-1.6000120.9
1227I29.7Very low28.6Very low169 Ų169138 Ų13887%0.86774%0.741SS**  179.2153.3100.7-90.7155.1000110.1
1228S27.7Very low28.4Very low103 Ų103135.4 Ų135.472%0.7273%0.734SS**  trans-121.9158.9-175.2-68.50000113.8
1229S29Very low28.3Very low109 Ų109138.4 Ų138.476%0.76274%0.742SS**  trans64.1126.9162.963.30000117.5
1230L29.1Very low28Very low172 Ų172136.2 Ų136.290%0.90173%0.734SS**  -147.1172.375-92.5160.6000114.5
1231L27.5Very low27.8Very low158 Ų158137 Ų13783%0.82775%0.745SS**  trans-95.2176.9-169.3-78.2160.7000113.1
1232P32.7Very low27.5Very low107 Ų107140.3 Ų140.370%0.69575%0.748SS**  cis-132.5-164-13.125.3-0.3000113.9
1233E25.2Very low27.3Very low166 Ų166141.1 Ų141.178%0.77675%0.752SS**  trans98133.1158.1-58.4-150.5157.600120.9
1234L24.5Very low27Very low138 Ų138141.2 Ų141.272%0.72375%0.753SS**  trans44.687.9145.8-62170.1000119.9
1235N26.9Very low26.8Very low155 Ų155145.5 Ų145.583%0.82976%0.761SS**  -179.8149.8128.2-90.5-45.8000109
1236R24.3Very low26.7Very low207 Ų207144.9 Ų144.978%0.78176%0.758SS**  cis80.258.114-133.6-175.6-155.8-119.54.1117.3F1238R1236-F1238 HydrophobicContact CG-CE2 4.44Å
1237S26.2Very low26.6Very low111 Ų111142.8 Ų142.878%0.77675%0.75SS**  trans-127.5117.9151.546.60000108.4
1238F25.4Very low26.6Very low142 Ų142138.7 Ų138.762%0.62374%0.736SS**  56.2103.959.3-72.7-74.2000114R1236 T1240R1236-F1238 HydrophobicContact CG-CE2 4.44Å; F1238-T1240 HydrophobicContact CB-CG2 4.22Å; F1238-T1240 HydrophobicContact CD1-CG2 3.61Å; F1238-T1240 HydrophobicContact CE1-CG2 4.25Å; F1238-T1240 HydrophobicContact CG-CG2 4.17Å
1239I25Very low26.7Very low163 Ų163139.5 Ų139.584%0.83673%0.732SS**  trans-93.190.6139.3-62.5180000106.3C1241I1239-C1241 PolarHBondContact O-N 3.04Å
1240T24.2Very low26.7Very low104 Ų104139.1 Ų139.164%0.63872%0.721SS**  trans-79.994.4162.543.80000108.8F1238 R1242F1238-T1240 HydrophobicContact CB-CG2 4.22Å; F1238-T1240 HydrophobicContact CD1-CG2 3.61Å; F1238-T1240 HydrophobicContact CE1-CG2 4.25Å; F1238-T1240 HydrophobicContact CG-CG2 4.17Å; T1240-R1242 PolarHBondContact O-N 3.34Å
1241C25Very low26.8Very low113 Ų113136 Ų13676%0.76470%0.701SS**  trans-73.6103.3157-72.40000107.6I1239I1239-C1241 PolarHBondContact O-N 3.04Å
1242R23.3Very low26.9Very low213 Ų213131 Ų13180%0.80468%0.68SS**  trans-92.5103.4-174.5-180-175.9-176.1168.91.9109.8T1240T1240-R1242 PolarHBondContact O-N 3.34Å
1243T26.7Very low26.9Very low115 Ų115130.7 Ų130.771%0.70667%0.672SS**  trans-140.3112.616951.90000109.2Y1245T1243-Y1245 PolarHBondContact O-N 3.35Å
1244D25.1Very low27.2Very low135 Ų135130.8 Ų130.872%0.72267%0.666SS**  trans-77.2106.8-175.7-53.3-84.1000111
1245Y26.3Very low27.7Very low211 Ų211131.9 Ų131.983%0.82766%0.661SS**  trans-144.2157.1170.4-85.3-69.6000112.1T1243 V1247T1243-Y1245 PolarHBondContact O-N 3.35Å; Y1245-V1247 PolarHBondContact O-N 3.34Å
1246D26.6Very low27.9Very low113 Ų113133.3 Ų133.360%0.60466%0.656SS**  trans-65.1109.4-154.8-129.6-60.2000115.6S1248 L1249D1246-S1248 VanDerWaalsContact CG-OG 3.3Å; D1246-S1248 PolarHBondContact O-N 3.13Å; D1246-S1248 VanDerWaalsContact O-N 3.16Å; D1246-S1248 WeakPolarHBondContact OD1-CB 3.42Å; D1246-S1248 PolarHBondContact OD1-OG 3Å; D1246-L1249 PolarHBondContact O-N 3.46Å
1247V28.1Very low28.3Very low95 Ų95129.6 Ų129.658%0.57665%0.647SS**Hα-helixtrans-64.7-19.3178.4178.70000112Y1245 L1249 Q1251Y1245-V1247 PolarHBondContact O-N 3.34Å; V1247-L1249 VanDerWaalsContact C-N 3.35Å; V1247-L1249 PolarHBondContact O-N 3.04Å; V1247-Q1251 HydrophobicContact CG1-CG 4.4Å
1248S29.4Very low28.8Very low82 Ų82128.1 Ų128.157%0.57363%0.634SS**Hα-helixtrans-61.5-37.2176.162.70000113.4D1246D1246-S1248 VanDerWaalsContact CG-OG 3.3Å; D1246-S1248 PolarHBondContact O-N 3.13Å; D1246-S1248 VanDerWaalsContact O-N 3.16Å; D1246-S1248 WeakPolarHBondContact OD1-CB 3.42Å; D1246-S1248 PolarHBondContact OD1-OG 3Å
1249L30Very low29.3Very low120 Ų120128.6 Ų128.663%0.62864%0.636SS**Hα-helixtrans-89.8-18.4-172.3-156.770.6000113.7D1246 V1247 S1252 N1253D1246-L1249 PolarHBondContact O-N 3.46Å; V1247-L1249 VanDerWaalsContact C-N 3.35Å; V1247-L1249 PolarHBondContact O-N 3.04Å; L1249-S1252 PolarHBondContact O-OG 3.4Å; L1249-N1253 PolarHBondContact O-ND2 3.26Å; L1249-N1253 VanDerWaalsContact O-ND2 3.12Å
1250I29.4Very low29.7Very low102 Ų102123.9 Ų123.952%0.52362%0.617SS.*Hα-helixtrans-84.8-35.5178.7-60.9176000110.8S1252 N1253 Y1254I1250-S1252 VanDerWaalsContact C-N 3.31Å; I1250-S1252 PolarHBondContact O-N 3.44Å; I1250-N1253 PolarHBondContact O-N 3.13Å; I1250-Y1254 HydrophobicContact CG2-CD2 4.02Å; I1250-Y1254 PolarHBondContact O-N 3.4Å
1251Q31Very low30.2Very low106 Ų106124.8 Ų124.850%0.49562%0.615SS.*Hα-helixtrans-68.5-24.3-179.3-71.2-167.918.400114.3V1247 R1255V1247-Q1251 HydrophobicContact CG1-CG 4.4Å; Q1251-R1255 VanDerWaalsContact O-CB 3.26Å; Q1251-R1255 WeakPolarHBondContact O-CB 3.39Å; Q1251-R1255 WeakPolarHBondContact O-CD 3.41Å; Q1251-R1255 WeakPolarHBondContact O-CG 3.38Å; Q1251-R1255 PolarHBondContact O-N 2.87Å
1252S30.1Very low30.9Very low54 Ų54124.8 Ų124.838%0.37860%0.604SS.*Hα-helixtrans-72.6-54.5171.750.50000110.9L1249 I1250 R1255 Y1256L1249-S1252 PolarHBondContact O-OG 3.4Å; I1250-S1252 VanDerWaalsContact C-N 3.31Å; I1250-S1252 PolarHBondContact O-N 3.44Å; S1252-R1255 PolarHBondContact O-N 2.93Å; S1252-Y1256 PolarHBondContact O-N 3.38Å
1253N31.6Very low31.6Very low99 Ų99116.6 Ų116.653%0.52958%0.582SS.*Hα-helixtrans-65.6-42.7-175-71.9-39.9000112.9L1249 I1250 R1255 Y1256 H1257L1249-N1253 PolarHBondContact O-ND2 3.26Å; L1249-N1253 VanDerWaalsContact O-ND2 3.12Å; I1250-N1253 PolarHBondContact O-N 3.13Å; N1253-R1255 PolarHBondContact O-N 3.44Å; N1253-Y1256 PolarHBondContact O-N 3.42Å; N1253-H1257 PolarHBondContact O-N 2.93Å
1254Y31.8Very low32.2Very low168 Ų168114 Ų11466%0.65957%0.568SS**Hα-helixtrans-67.1-34174.1-104.6-93.9000112.9I1250 T1258I1250-Y1254 HydrophobicContact CG2-CD2 4.02Å; I1250-Y1254 PolarHBondContact O-N 3.4Å; Y1254-T1258 HydrophobicContact CD1-CG2 4.38Å; Y1254-T1258 WeakPolarHBondContact O-CB 3.5Å; Y1254-T1258 WeakPolarHBondContact O-CG2 3.5Å; Y1254-T1258 PolarHBondContact O-N 3.08Å; Y1254-T1258 PolarHBondContact O-OG1 3.28Å
1255R34.3Very low32.9Very low161 Ų161112.3 Ų112.361%0.60856%0.559SS**Hα-helixtrans-70.4-31173.2-79.9178.7172.6164.11.4112.8Q1251 S1252 N1253 K1259Q1251-R1255 VanDerWaalsContact O-CB 3.26Å; Q1251-R1255 WeakPolarHBondContact O-CB 3.39Å; Q1251-R1255 WeakPolarHBondContact O-CD 3.41Å; Q1251-R1255 WeakPolarHBondContact O-CG 3.38Å; Q1251-R1255 PolarHBondContact O-N 2.87Å; S1252-R1255 PolarHBondContact O-N 2.93Å; N1253-R1255 PolarHBondContact O-N 3.44Å; R1255-K1259 VanDerWaalsContact O-CB 3.23Å; R1255-K1259 WeakPolarHBondContact O-CB 3.3Å; R1255-K1259 VanDerWaalsContact O-CG 3.27Å; R1255-K1259 WeakPolarHBondContact O-CG 3.42Å; R1255-K1259 PolarHBondContact O-N 2.97Å
1256Y32.2Very low33.6Very low186 Ų186107.4 Ų107.473%0.72954%0.543SS*.Hα-helixtrans-73.8-50173.3-105.4-93000111.7S1252 N1253 S1260S1252-Y1256 PolarHBondContact O-N 3.38Å; N1253-Y1256 PolarHBondContact O-N 3.42Å; Y1256-S1260 WeakPolarHBondContact O-CA 3.47Å; Y1256-S1260 WeakPolarHBondContact O-CB 3.29Å; Y1256-S1260 PolarHBondContact O-N 3.33Å
1257H33.1Very low34.3Very low128 Ų128107 Ų10759%0.59354%0.541SS*.Hα-helixtrans-64.5-44.5179.9-103.6-70.7000113.2N1253 S1260 M1261N1253-H1257 PolarHBondContact O-N 2.93Å; H1257-S1260 PolarHBondContact O-N 3.23Å; H1257-M1261 WeakPolarHBondContact O-CB 3.35Å; H1257-M1261 PolarHBondContact O-N 3.32Å
1258T35.5Very low34.9Very low81 Ų81107.4 Ų107.450%0.49754%0.54SS..Hα-helixtrans-66.2-43.8178.6530000111.9Y1254 H1262Y1254-T1258 HydrophobicContact CD1-CG2 4.38Å; Y1254-T1258 WeakPolarHBondContact O-CB 3.5Å; Y1254-T1258 WeakPolarHBondContact O-CG2 3.5Å; Y1254-T1258 PolarHBondContact O-N 3.08Å; Y1254-T1258 PolarHBondContact O-OG1 3.28Å; T1258-H1262 WeakPolarHBondContact O-CB 3.42Å; T1258-H1262 PolarHBondContact O-N 2.98Å
1259K35.7Very low35.5Very low152 Ų152108 Ų10866%0.66154%0.535SS*.Hα-helixtrans-71-32.8176.1-69.9-174.2173-1680112.9R1255 A1263R1255-K1259 VanDerWaalsContact O-CB 3.23Å; R1255-K1259 WeakPolarHBondContact O-CB 3.3Å; R1255-K1259 VanDerWaalsContact O-CG 3.27Å; R1255-K1259 WeakPolarHBondContact O-CG 3.42Å; R1255-K1259 PolarHBondContact O-N 2.97Å; K1259-A1263 WeakPolarHBondContact O-CA 3.22Å; K1259-A1263 WeakPolarHBondContact O-CB 3.4Å; K1259-A1263 PolarHBondContact O-N 2.97Å
1260S35.2Very low36.1Very low64 Ų64106.4 Ų106.445%0.44853%0.527SS..Hα-helixtrans-71.3-40176.3-169.50000111.4Y1256 H1257 S1264Y1256-S1260 WeakPolarHBondContact O-CA 3.47Å; Y1256-S1260 WeakPolarHBondContact O-CB 3.29Å; Y1256-S1260 PolarHBondContact O-N 3.33Å; H1257-S1260 PolarHBondContact O-N 3.23Å; S1260-S1264 WeakPolarHBondContact O-CB 3.41Å; S1260-S1264 PolarHBondContact O-N 3.38Å; S1260-S1264 PolarHBondContact O-OG 3.48Å
1261M34.9Very low36.4Very low122 Ų122105.2 Ų105.260%0.60152%0.522SS*.Hα-helixtrans-72.8-38.4174.4-77.2-176.5162.100111.9H1257 S1264 L1265H1257-M1261 WeakPolarHBondContact O-CB 3.35Å; H1257-M1261 PolarHBondContact O-N 3.32Å; M1261-S1264 PolarHBondContact O-N 3.4Å; M1261-L1265 VanDerWaalsContact O-CB 3.22Å; M1261-L1265 WeakPolarHBondContact O-CB 3.49Å; M1261-L1265 WeakPolarHBondContact O-CG 3.39Å; M1261-L1265 PolarHBondContact O-N 3.42Å
1262H38.1Very low36.8Very low114 Ų114107.2 Ų107.253%0.52853%0.531SS..Hα-helixtrans-69.5-34.8176-161.1-60.5000111.9T1258 Q1266T1258-H1262 WeakPolarHBondContact O-CB 3.42Å; T1258-H1262 PolarHBondContact O-N 2.98Å; H1262-Q1266 VanDerWaalsContact CE1-CD 3.43Å; H1262-Q1266 PolarHBondContact CE1-NE2 2.81Å; H1262-Q1266 PolarHBondContact CE1-OE1 3.18Å; H1262-Q1266 VanDerWaalsContact ND1-CD 3.31Å; H1262-Q1266 PolarHBondContact ND1-OE1 3.44Å; H1262-Q1266 VanDerWaalsContact O-CB 3.23Å; H1262-Q1266 WeakPolarHBondContact O-CB 3.34Å; H1262-Q1266 WeakPolarHBondContact O-CG 3.45Å; H1262-Q1266 PolarHBondContact O-N 2.77Å; H1262-Q1266 PolarHBondContact O-OE1 3.11Å
1263A39.2Very low37.2Very low40 Ų40113.1 Ų113.133%0.33155%0.55SS.*Hα-helixtrans-73.1-44.9171.100000111.6K1259 L1265 Q1266 D1267K1259-A1263 WeakPolarHBondContact O-CA 3.22Å; K1259-A1263 WeakPolarHBondContact O-CB 3.4Å; K1259-A1263 PolarHBondContact O-N 2.97Å; A1263-L1265 PolarHBondContact O-N 2.71Å; A1263-Q1266 CarbonylContact O-C 3.54Å; A1263-Q1266 PolarHBondContact O-N 2.7Å; A1263-D1267 WeakPolarHBondContact O-CB 3.5Å; A1263-D1267 VanDerWaalsContact O-CG 3.23Å; A1263-D1267 PolarHBondContact O-N 3.08Å
1264S39.7Very low37.4Very low60 Ų60112.7 Ų112.742%0.4256%0.555SS.*Hα-helixtrans-69.3-30.6178.3-65.10000113.3S1260 M1261 L1268S1260-S1264 WeakPolarHBondContact O-CB 3.41Å; S1260-S1264 PolarHBondContact O-N 3.38Å; S1260-S1264 PolarHBondContact O-OG 3.48Å; M1261-S1264 PolarHBondContact O-N 3.4Å; S1264-L1268 WeakPolarHBondContact O-CB 3.45Å; S1264-L1268 WeakPolarHBondContact O-CD1 3.45Å; S1264-L1268 WeakPolarHBondContact O-CG 3.5Å; S1264-L1268 PolarHBondContact O-N 3.01Å
1265L38.5Very low37.3Very low101 Ų101111.8 Ų111.853%0.52955%0.55SS.*Hα-helixtrans-71.6-42.7168.9-81163.1000111.3M1261 A1263 I1269M1261-L1265 VanDerWaalsContact O-CB 3.22Å; M1261-L1265 WeakPolarHBondContact O-CB 3.49Å; M1261-L1265 WeakPolarHBondContact O-CG 3.39Å; M1261-L1265 PolarHBondContact O-N 3.42Å; A1263-L1265 PolarHBondContact O-N 2.71Å; L1265-I1269 HydrophobicContact CB-CD1 4.49Å; L1265-I1269 HydrophobicContact CD2-CD1 4.47Å; L1265-I1269 WeakPolarHBondContact O-CB 3.5Å; L1265-I1269 WeakPolarHBondContact O-CD1 3.36Å; L1265-I1269 WeakPolarHBondContact O-CG1 3.18Å; L1265-I1269 PolarHBondContact O-N 3.35Å
1266Q41.7Very low37Very low107 Ų107113.1 Ų113.150%0.556%0.564SS.*Hα-helixtrans-65.8-38.3174.7-76.9-178.7-49.100112.4H1262 A1263 L1270H1262-Q1266 VanDerWaalsContact CE1-CD 3.43Å; H1262-Q1266 PolarHBondContact CE1-NE2 2.81Å; H1262-Q1266 PolarHBondContact CE1-OE1 3.18Å; H1262-Q1266 VanDerWaalsContact ND1-CD 3.31Å; H1262-Q1266 PolarHBondContact ND1-OE1 3.44Å; H1262-Q1266 VanDerWaalsContact O-CB 3.23Å; H1262-Q1266 WeakPolarHBondContact O-CB 3.34Å; H1262-Q1266 WeakPolarHBondContact O-CG 3.45Å; H1262-Q1266 PolarHBondContact O-N 2.77Å; H1262-Q1266 PolarHBondContact O-OE1 3.11Å; A1263-Q1266 CarbonylContact O-C 3.54Å; A1263-Q1266 PolarHBondContact O-N 2.7Å; Q1266-L1270 WeakPolarHBondContact O-CB 3.29Å; Q1266-L1270 WeakPolarHBondContact O-CD1 3.3Å; Q1266-L1270 WeakPolarHBondContact O-CG 3.49Å; Q1266-L1270 PolarHBondContact O-N 2.98Å
1267D40.5Very low36.9Very low104 Ų104110 Ų11056%0.55656%0.564SS**Hα-helixtrans-74.3-37.3178.3-71.1-23.9000110.9A1263 L1270 D1271A1263-D1267 WeakPolarHBondContact O-CB 3.5Å; A1263-D1267 VanDerWaalsContact O-CG 3.23Å; A1263-D1267 PolarHBondContact O-N 3.08Å; D1267-L1270 PolarHBondContact O-N 3.43Å; D1267-D1271 VanDerWaalsContact O-CB 3.3Å; D1267-D1271 WeakPolarHBondContact O-CB 3.16Å; D1267-D1271 PolarHBondContact O-N 3.15Å
1268L41Very low36.6Very low105 Ų105109.5 Ų109.555%0.5557%0.572SS.*Hα-helixtrans-63.2-54.2169.7-81.1164.2000110.8S1264 L1270 D1271 E1272S1264-L1268 WeakPolarHBondContact O-CB 3.45Å; S1264-L1268 WeakPolarHBondContact O-CD1 3.45Å; S1264-L1268 WeakPolarHBondContact O-CG 3.5Å; S1264-L1268 PolarHBondContact O-N 3.01Å; L1268-L1270 PolarHBondContact O-N 3.32Å; L1268-L1270 VanDerWaalsContact O-N 3.16Å; L1268-D1271 PolarHBondContact O-N 3.08Å; L1268-E1272 WeakPolarHBondContact O-CB 3.42Å; L1268-E1272 PolarHBondContact O-N 3.32Å
1269I41.4Very low36.2Very low93 Ų93111.4 Ų111.448%0.47759%0.588SS.*Hα-helixtrans-64.2-21.9-179.7-63.6165.6000111.5L1265 F1273L1265-I1269 HydrophobicContact CB-CD1 4.49Å; L1265-I1269 HydrophobicContact CD2-CD1 4.47Å; L1265-I1269 WeakPolarHBondContact O-CB 3.5Å; L1265-I1269 WeakPolarHBondContact O-CD1 3.36Å; L1265-I1269 WeakPolarHBondContact O-CG1 3.18Å; L1265-I1269 PolarHBondContact O-N 3.35Å; I1269-F1273 HydrophobicContact CG2-CD2 4.33Å; I1269-F1273 HydrophobicContact CG2-CE2 4.47Å; I1269-F1273 WeakPolarHBondContact O-CB 3.23Å; I1269-F1273 WeakPolarHBondContact O-CD2 3.48Å
1270L43.7Very low35.7Very low88 Ų88111.9 Ų111.946%0.46160%0.595SS.*Hα-helixtrans-88.2-38.3172.2-72.3168.8000113.6Q1266 D1267 L1268 F1273 S1274Q1266-L1270 WeakPolarHBondContact O-CB 3.29Å; Q1266-L1270 WeakPolarHBondContact O-CD1 3.3Å; Q1266-L1270 WeakPolarHBondContact O-CG 3.49Å; Q1266-L1270 PolarHBondContact O-N 2.98Å; D1267-L1270 PolarHBondContact O-N 3.43Å; L1268-L1270 PolarHBondContact O-N 3.32Å; L1268-L1270 VanDerWaalsContact O-N 3.16Å; L1270-F1273 CarbonylContact O-C 3.59Å; L1270-S1274 WeakPolarHBondContact O-CB 3.49Å; L1270-S1274 PolarHBondContact O-N 3Å; L1270-S1274 PolarHBondContact O-OG 2.99Å
1271D36Very low35.2Very low77 Ų77113.3 Ų113.341%0.41261%0.605SS.*Hα-helixtrans-72-34.8176.9-127.853.6000111D1267 L1268 S1274 R1275D1267-D1271 VanDerWaalsContact O-CB 3.3Å; D1267-D1271 WeakPolarHBondContact O-CB 3.16Å; D1267-D1271 PolarHBondContact O-N 3.15Å; L1268-D1271 PolarHBondContact O-N 3.08Å; D1271-S1274 CarbonylContact O-C 3.24Å; D1271-S1274 PolarHBondContact O-N 3.5Å; D1271-S1274 VanDerWaalsContact O-N 3.15Å; D1271-R1275 WeakPolarHBondContact O-CB 3.49Å; D1271-R1275 WeakPolarHBondContact O-CD 3.37Å; D1271-R1275 WeakPolarHBondContact O-CG 3.5Å; D1271-R1275 PolarHBondContact O-N 3.08Å; D1271-R1275 IonicContact OD2-CZ 3.48Å; D1271-R1275 IonicContact OD2-NE 3.36Å; D1271-R1275 PolarHBondContact OD2-NE 3.06Å; D1271-R1275 IonicContact OD2-NH2 3.43Å; D1271-R1275 PolarHBondContact OD2-NH2 3.4Å
1272E39.7Very low34.8Very low147 Ų147114.5 Ų114.569%0.68762%0.619SS**Hα-helixtrans-72.9-28.2177.8-159.5152.8-119.200112.1L1268L1268-E1272 WeakPolarHBondContact O-CB 3.42Å; L1268-E1272 PolarHBondContact O-N 3.32Å
1273F37.8Very low34.3Very low178 Ų178112.5 Ų112.578%0.78162%0.618SS**THydrogen-bonded Turntrans-90.7-0.1166.7-82.1-103.6000114.3I1269 L1270I1269-F1273 HydrophobicContact CG2-CD2 4.33Å; I1269-F1273 HydrophobicContact CG2-CE2 4.47Å; I1269-F1273 WeakPolarHBondContact O-CB 3.23Å; I1269-F1273 WeakPolarHBondContact O-CD2 3.48Å; L1270-F1273 CarbonylContact O-C 3.59Å
1274S35.8Very low33.9Very low90 Ų90118.1 Ų118.163%0.62964%0.643SS**SBendtrans-117.77.3178.3-570000113.9L1270 D1271L1270-S1274 WeakPolarHBondContact O-CB 3.49Å; L1270-S1274 PolarHBondContact O-N 3Å; L1270-S1274 PolarHBondContact O-OG 2.99Å; D1271-S1274 CarbonylContact O-C 3.24Å; D1271-S1274 PolarHBondContact O-N 3.5Å; D1271-S1274 VanDerWaalsContact O-N 3.15Å
1275R29.3Very low33.4Very low149 Ų149120 Ų12056%0.56266%0.656SS**SBendtrans-105.7114.4173.7-76.4170-173.7-145.78.4109.6D1271 T1277D1271-R1275 WeakPolarHBondContact O-CB 3.49Å; D1271-R1275 WeakPolarHBondContact O-CD 3.37Å; D1271-R1275 WeakPolarHBondContact O-CG 3.5Å; D1271-R1275 PolarHBondContact O-N 3.08Å; D1271-R1275 IonicContact OD2-CZ 3.48Å; D1271-R1275 IonicContact OD2-NE 3.36Å; D1271-R1275 PolarHBondContact OD2-NE 3.06Å; D1271-R1275 IonicContact OD2-NH2 3.43Å; D1271-R1275 PolarHBondContact OD2-NH2 3.4Å; R1275-T1277 PolarHBondContact O-N 3.2Å
1276E28.7Very low33Very low190 Ų190119.9 Ų119.989%0.88866%0.663SS**  trans-60.5103.9165.7-64.9167.2161.600108.5P1278E1276-P1278 WeakPolarHBondContact O-CD 3.49Å
1277T30.2Very low32.4Very low120 Ų120118.7 Ų118.774%0.73667%0.671SS**PPolyproline II helixtrans-75.4117.1169.542.40000108.4R1275 C1279R1275-T1277 PolarHBondContact O-N 3.2Å; T1277-C1279 PolarHBondContact O-N 3.36Å
1278P26.3Very low31.8Very low117 Ų117119.1 Ų119.176%0.7667%0.672SS**PPolyproline II helixtrans-67.1120.4171.828-32.4000108.2E1276 I1280E1276-P1278 WeakPolarHBondContact O-CD 3.49Å; P1278-I1280 PolarHBondContact O-N 3.11Å; P1278-I1280 VanDerWaalsContact O-N 3.16Å
1279C26.8Very low31.1Very low122 Ų122117.9 Ų117.982%0.82468%0.677SS**PPolyproline II helixtrans-59.1119.4174.7-53.60000109T1277 S1281T1277-C1279 PolarHBondContact O-N 3.36Å; C1279-S1281 PolarHBondContact O-N 3.45Å
1280I26.2Very low30.5Very low161 Ų161122.8 Ų122.883%0.82670%0.695SS**  trans-68.2110.4175.3-66.4178.4000108P1278 V1282P1278-I1280 PolarHBondContact O-N 3.11Å; P1278-I1280 VanDerWaalsContact O-N 3.16Å; I1280-V1282 PolarHBondContact O-N 3.16Å
1281S24.7Very low29.6Very low94 Ų94125 Ų12566%0.65771%0.712SS**  trans-71.595.7179.854.40000111.1C1279 S1283C1279-S1281 PolarHBondContact O-N 3.45Å; S1281-S1283 PolarHBondContact O-N 3.42Å; S1281-S1283 VanDerWaalsContact O-N 3.15Å
1282V26.5Very low29.1Very low147 Ų147127.4 Ų127.489%0.89173%0.725SS**  trans-82.477.3159.9-174.10000107.7I1280I1280-V1282 PolarHBondContact O-N 3.16Å
1283S26.8Very low28.5Very low73 Ų73128.9 Ų128.951%0.5173%0.729SS.*  trans-118.9117.4-177.555.40000111.2S1281S1281-S1283 PolarHBondContact O-N 3.42Å; S1281-S1283 VanDerWaalsContact O-N 3.15Å
1284N30.8Very low28Very low157 Ų157127.8 Ų127.884%0.8473%0.731SS**  trans157.4143147.4-81.9-11000109.3
1285S28.6Very low27.9Very low101 Ų101132 Ų13271%0.70673%0.734SS**  cis-174.1127.5-17.143.80000105.6
1286C29.9Very low27.9Very low98 Ų98133.2 Ų133.266%0.66275%0.751SS**  cis84.3100.948.7-166.30000114.6
1287A30.9Very low28Very low81 Ų81129 Ų12967%0.66974%0.738SS**  trans-163.7137154.700000107.3
1288I27.4Very low28Very low114 Ų114134.4 Ų134.459%0.58575%0.747SS**  cis76.3117.728.7-53.1177.6000111.2
1289A26.6Very low28.1Very low79 Ų79133.4 Ų133.465%0.65374%0.742SS**  cis-161.1167.7-2.900000113.7
1290K27.7Very low28.2Very low196 Ų196135.4 Ų135.485%0.85274%0.743SS**  trans26.9122.5147.8-61.5172.9-177.5179.20119.7
1291T25.8Very low28.3Very low134 Ų134132 Ų13282%0.82273%0.733SS**  -167.5148.7119.111.20000114.8
1292N25.4Very low28.5Very low127 Ų127134.1 Ų134.168%0.67974%0.738SS**  trans36108153-70.4-45.4000123.3
1293K26.2Very low28.5Very low178 Ų178131.8 Ų131.877%0.77473%0.728SS**  79.2144.1120.6-67.4-177.6-177.9-177.10122.1
1294N27.8Very low28.5Very low156 Ų156133 Ų13383%0.83474%0.736SS**  trans74.4117.8159.8-64.67.5000119.2
1295R32.6Very low28.4Very low179 Ų179134.2 Ų134.268%0.67573%0.73SS**  trans-76.2157.7160.5-66.9172.4164.8-178.7-10.3109.5
1296N30.2Very low28.3Very low173 Ų173135.1 Ų135.193%0.92573%0.727SS**  -149.2153.1115.8-116.9-9.5000111.2
1297V31.2Very low28.1Very low101 Ų101140.2 Ų140.261%0.61273%0.734SS**  trans-107.3145.1-173.4173.90000109.1
1298Y30.2Very low27.8Very low235 Ų235144.7 Ų144.792%0.92274%0.741SS**  trans-141.8120.3142.1-102.5-72000110.8
1299S27.7Very low27.7Very low95 Ų95148.6 Ų148.666%0.66475%0.75SS**  trans-93.4137.4171.152.30000110.2
1300I29.9Very low27.7Very low165 Ų165150 Ų15085%0.84674%0.743SS**  trans-129.4136.3150.6-64.7-176000106.6
1301S27.3Very low27.6Very low89 Ų89144.8 Ų144.862%0.62272%0.724SS**  trans-84.3162.7179.249.90000111.5
1302D28.8Very low27.8Very low139 Ų139142.4 Ų142.474%0.74371%0.706SS**  172.9141.2110.5-85.5-11.6000114.7
1303S27.5Very low28.3Very low98 Ų98140.7 Ų140.769%0.68570%0.702SS**  trans31.9125.9145.671.40000123.3
1304S27.1Very low28.7Very low97 Ų97139.3 Ų139.368%0.67870%0.703SS**  76.6127.9120.171.80000123.7
1305Y27.5Very low29.2Very low184 Ų184136.8 Ų136.872%0.72270%0.695SS**  93131.9127.4-91.6-133000123.6
1306N25.7Very low29Very low120 Ų120133.7 Ų133.764%0.64270%0.696SS**  trans60.3110.8142.1-77.9-5.5000124.6
1307Y25.8Very low29Very low205 Ų205133.8 Ų133.880%0.80469%0.688SS**  62.9154105.1-101.3-84.6000123.3
1308Q25.4Very low28.8Very low174 Ų174135.4 Ų135.481%0.81369%0.689SS**  trans79.5123.1175.2-56.5-177.2-14.900115.4
1309Y26.1Very low28.9Very low197 Ų197131.2 Ų131.277%0.77368%0.678SS**  cis77.5103.449.7-93.2-85.7000114.4
1310E25.4Very low29.1Very low108 Ų108134.4 Ų134.451%0.50568%0.682SS.*  173.3175.5102.4-83.5-154.39900114.1N656 Q658N656-E1310 PolarHBondContact ND2-O 2.95Å; Q658-E1310 HydrophobicContact CG-CB 4.38Å; Q658-E1310 PolarHBondContact NE2-OE1 3.07Å; Q658-E1310 PolarHBondContact OE1-OE2 3.4Å
1311N26.9Very low29.1Very low86 Ų86132.9 Ų132.946%0.4668%0.676SS.*  trans-94.7-170.2-156.4-49.8-83.5000113.4S657 Q658S657-N1311 CarbonylContact C-O 3.58Å; S657-N1311 VanDerWaalsContact C-O 3.24Å; S657-N1311 VanDerWaalsContact CA-O 3.3Å; S657-N1311 WeakPolarHBondContact CA-O 3.37Å; Q658-N1311 HydrophobicContact CG-CB 4.26Å; Q658-N1311 WeakPolarHBondContact CG-O 3.21Å; Q658-N1311 PolarHBondContact N-O 3.48Å
1312N29.3Very low29.3Very low84 Ų84135.9 Ų135.945%0.44968%0.68SS.*  cis-159.4-166.69.2-138.312.9000108.3S657S657-N1312 PolarHBondContact N-O 2.89Å; S657-N1312 CarbonylContact O-C 3.56Å; S657-N1312 VanDerWaalsContact O-CA 3.23Å; S657-N1312 WeakPolarHBondContact O-CA 3.36Å; S657-N1312 WeakPolarHBondContact O-CB 3.23Å; S657-N1312 PolarHBondContact O-N 2.87Å; S657-N1312 VanDerWaalsContact O-O 3.05Å
1313P36.5Very low29.5Very low91 Ų91137.7 Ų137.759%0.59168%0.683SS**  trans-121.4-166.7-170.944.9-37.7000117.8
1314N33.7Very low29.6Very low150 Ų150138.9 Ų138.980%0.80268%0.682SS**  trans88.2166.6152-86.1-9.8000120.9
1315P38.1Very low29.9Very low103 Ų103142.1 Ų142.167%0.66969%0.686SS**  cis-149-179.1-28.837.7-16.2000119
1316V29.1Very low29.9Very low114 Ų114140.9 Ų140.969%0.69169%0.686SS**  trans81.3151.9155-159.50000121.9
1317F29.2Very low30.1Very low174 Ų174143.1 Ų143.176%0.76369%0.692SS**  trans101.7136.3161.1-69.3-89.7000117.3
1318Q28.1Very low30.1Very low135 Ų135142 Ų14263%0.63169%0.692SS**  cis-170.6-175.6-28.1-128.7-174.38.800110.5
1319H32.8Very low30.1Very low147 Ų147138.8 Ų138.868%0.68169%0.689SS**  trans72.5133.2173.3-58.3-64000116.4
1320H30.1Very low30.1Very low162 Ų162137.2 Ų137.275%0.7569%0.693SS**  cis77.3133.448.6-65.813.7000112
1321N31.1Very low30.6Very low134 Ų134140.3 Ų140.372%0.71771%0.707SS**  cis-150.2170.936.6-111.1-35.4000116.6
1322H30.3Very low31.3Very low152 Ų152140.4 Ų140.470%0.70471%0.712SS**  trans-24.4156.5157-68.3-52.9000118.8
1323H34.7Very low31.3Very low176 Ų176142.5 Ų142.582%0.81572%0.723SS**  -159.3-174.769.8-117.3-31.6000118.1
1324N28.4Very low30.9Very low123 Ų123147.4 Ų147.466%0.65873%0.731SS**  trans-108.3166.4-166.6-59.2-44.5000114.2
1325H33.2Very low30.8Very low165 Ų165146 Ų14676%0.76472%0.723SS**  165125.8125.4-86.9-69.3000109.8
1326H28.7Very low30.5Very low158 Ų158147.1 Ų147.173%0.73172%0.723SS**  49.212087-72.3-53.1000113.4
1327H29.6Very low30.7Very low167 Ų167151.3 Ų151.377%0.77373%0.728SS**  cis-149.9149.446.1-90.2-109.8000111.4
1328K25.8Very low30.8Very low181 Ų181146.6 Ų146.679%0.78772%0.716SS**  68.311674.7-103.7-171.8-178.7-175.40117.6
1329S25.9Very low31.1Very low108 Ų108148.3 Ų148.376%0.75572%0.724SS**  trans69.5154.915368.20000119.1
1330L26.3Very low31Very low164 Ų164148.6 Ų148.686%0.85973%0.726SS**  cis-140.91747.9-85.299000113.3
1331H34.2Very low31.2Very low173 Ų173148.9 Ų148.980%0.80173%0.732SS**  trans-79.1-173157.3-126-103000110.5
1332P43Very low31Very low88 Ų88148.3 Ų148.357%0.57173%0.729SS**  cis-138.4177.8-10.245-29.1000116.5
1333N29.2Very low31.1Very low127 Ų127148.9 Ų148.968%0.67974%0.736SS**  trans61.3165.9155.7-53.4-15.2000117.4
1334Y28.3Very low31Very low194 Ų194145.9 Ų145.976%0.76173%0.733SS**  cis-134.8154.217.7-113.2-108.1000108.2
1335I31.7Very low31.4Very low122 Ų122145.7 Ų145.763%0.62674%0.738SS**  66.5129.250.4-63.7170.7000112.1
1336D30.6Very low31Very low125 Ų125148.4 Ų148.467%0.66874%0.742SS**  cis-126.7-125.3-3.6-150.4-53.1000109.5
1337Y33.6Very low31.1Very low203 Ų203150.8 Ų150.880%0.79675%0.75SS**  cis-141144.71.5-118.5-73.8000111.1
1338S30.9Very low30.9Very low74 Ų74152.8 Ų152.852%0.51775%0.75SS.*  trans-73.8174.5172.8750000113.7
1339H35.6Very low30.9Very low171 Ų171151.6 Ų151.679%0.79275%0.747SS**  -153139.984.4-96.9-81.3000114.9
1340Q29.8Very low31Very low153 Ų153159 Ų15972%0.71576%0.759SS**  trans-83.4164.3170.3-54.6173.22.600111.8
1341L33.4Very low31Very low169 Ų169156.9 Ų156.989%0.88575%0.748SS**  trans-149.8110.1135.7-114.3173.2000111.8
1342N28.3Very low30.5Very low122 Ų122153 Ų15365%0.65274%0.741SS**  trans-76.8164.7168.4-82-75.1000111.2
1343L31.4Very low29.7Very low164 Ų164153.2 Ų153.286%0.85975%0.745SS**  trans177.4153.1130.7-90.8162.1000110.5
1344P33.9Very low29.5Very low113 Ų113153.5 Ų153.573%0.73475%0.746SS**  trans-131.9-144.4-14741.2-19.1000114.4
1345P35.5Very low29.5Very low119 Ų119155.2 Ų155.277%0.77375%0.753SS**  -93.4149.3-122.438.5-26.2000115
1346R25.7Very low29.3Very low222 Ų222156.1 Ų156.184%0.83876%0.759SS**  trans-137.9128.5165.9-81.7-170.7162.2179.4-5.1114.2
1347K29.5Very low29.3Very low207 Ų207156 Ų15690%0.977%0.768SS**  trans-60.9143.7161.4-56.8171.5-178.8174.70109.9
1348R25.5Very low28.9Very low210 Ų210152.3 Ų152.379%0.79277%0.767SS**  trans-156.6147.7147.5-140.6165.6-82.3-162.6-5.5111.7
1349H25.7Very low28.8Very low156 Ų156154.6 Ų154.672%0.72278%0.777SS**  trans-66.9152.5171-70.9-124000110.2
1350W28Very low28.4Very low262 Ų262151.8 Ų151.899%0.99277%0.773SS**  trans-123.7106.8138.5-92.978.9000108.2
1351D26.2Very low28.5Very low120 Ų120150.2 Ų150.264%0.64277%0.774SS**  trans-126.1159.1175.3-153.3-27.9000106
1352S24.6Very low28.3Very low92 Ų92148.4 Ų148.464%0.64377%0.765SS**  trans63106.4166.7-58.30000120.3
1353S25.9Very low28.4Very low93 Ų93148.3 Ų148.365%0.6576%0.764SS**  70145.812173.60000123.1
1354N25.4Very low28.4Very low133 Ų133146.2 Ų146.271%0.71175%0.754SS**  trans69.8134.4160.1-51.5-26.2000114.6
1355Y28.6Very low28.3Very low229 Ų229146.5 Ų146.590%0.89875%0.749SS**  -132.9155.452.8-112.9-103.4000115.7
1356N28.2Very low28.1Very low142 Ų142146.1 Ų146.176%0.75974%0.741SS**  trans-74.9147.8168.4-62.8-49000110.8
1357S28.7Very low28.5Very low121 Ų121141.9 Ų141.985%0.84674%0.735SS**  trans-145.9130.7137-91.70000110.8
1358T26.3Very low28.5Very low127 Ų127135.9 Ų135.978%0.77972%0.719SS**  trans-37.5156161.543.10000113.7
1359T29.7Very low28.7Very low121 Ų121132 Ų13274%0.74271%0.714SS**  cis-152.3155.948.7-51.50000114.1
1360T26.6Very low29Very low113 Ų113130.1 Ų130.169%0.69371%0.709SS**  trans-45.7155.8161.340.10000112.1
1361T30.8Very low29.1Very low120 Ų120123.1 Ų123.174%0.73669%0.691SS**  -158.4152.960.343.60000115
1362N29.1Very low29.2Very low131 Ų131126.6 Ų126.670%0.70170%0.697SS**  16.4142.8125.6-57.611.3000117.7
1363N31.2Very low29.6Very low119 Ų119132.6 Ų132.664%0.63671%0.707SS**  cis-161.8166.225.5-132.47.2000112.4
1364N31Very low29.6Very low120 Ų120137.1 Ų137.164%0.64271%0.711SS**  25.9139.2129.2-64.59.9000119.2
1365N32.7Very low29.8Very low119 Ų119140.4 Ų140.464%0.63672%0.715SS**  cis-165.1157.129.9-131.522.5000114.4
1366N31.4Very low29.8Very low111 Ų111134.1 Ų134.159%0.59470%0.704SS**  trans58.4129.7137.5-77.839.3000124.1
1367D33.2Very low29.9Very low134 Ų134136 Ų13672%0.71771%0.708SS**  75.6145.8125.8-60.9-14.4000122.1
1368S30.1Very low29.9Very low81 Ų81139.1 Ų139.157%0.56671%0.71SS**  cis-166.4175.5-23.660.30000110
1369N30.4Very low30.1Very low127 Ų127138.7 Ų138.768%0.67971%0.711SS**  trans48.5130141.7-63.2-22.6000119.2
1370N30.3Very low30.1Very low118 Ų118141 Ų14163%0.63171%0.713SS**  cis170163.520.4-111.5-16.7000109.2
1371N31Very low30.7Very low115 Ų115141.3 Ų141.362%0.61572%0.717SS**  trans66.7120.1145.5-62-9.5000119.8
1372Y28Very low30.9Very low192 Ų192140.2 Ų140.275%0.75371%0.712SS**  62.8116.471.7-80.7-80000112.8
1373Y32.2Very low31.3Very low218 Ų218144 Ų14486%0.85572%0.722SS**  -163.3-164100.6-109.2-72.9000112.1
1374Y27.8Very low31.3Very low188 Ų188146 Ų14674%0.73773%0.732SS**  trans-125.6175.5-157.1-123.2-103000111.8
1375Y29Very low31.4Very low203 Ų203145.3 Ų145.380%0.79674%0.737SS**  trans88.1149.4153.3-85.9-67.1000122.8
1376S29.4Very low31.3Very low96 Ų96149.2 Ų149.267%0.67174%0.742SS**  trans67.2135.3167.6-60.30000117.3
1377E28.2Very low31.2Very low181 Ų181151.4 Ų151.485%0.84675%0.749SS**  cis77.1149.649-81.1-174.7153.900114.1
1378E30.2Very low31.1Very low187 Ų187151 Ų15187%0.87476%0.755SS**  trans69.6153.4-170.1-55.1-177.8-175.500115.1
1379C29Very low31Very low119 Ų119156.4 Ų156.480%0.80477%0.768SS**  cis-159.6173-31.4-110.60000109.5
1380E31Very low31.2Very low168 Ų168155.2 Ų155.279%0.78577%0.77SS**  trans-69.2154.8173.8-65.7-171.4140.700113.9
1381P38.7Very low31.3Very low121 Ų121155 Ų15579%0.78677%0.773SS**  trans-109.891.9152.835.3-24.8000111.7
1382P34.2Very low31.2Very low96 Ų96156.4 Ų156.462%0.62378%0.781SS**  trans-72.514616931.2-34.5000110.9
1383K39.1Very low31.5Very low211 Ų211154.6 Ų154.692%0.91778%0.781SS**  trans-128.1107.7165.3-76.1-167.2174.3-176.80111.1
1384L29.6Very low31.5Very low161 Ų161151.6 Ų151.684%0.84378%0.775SS**  trans-90.5173.6178.8-95.3162.1000111.8
1385S34.1Very low31.7Very low106 Ų106148.6 Ų148.674%0.74178%0.776SS**  trans80.2143.7157.685.60000117.2
1386R31.4Very low31.9Very low201 Ų201144.3 Ų144.376%0.75878%0.776SS**  cis-167.4144.7-15.9-123.6-178.8167.6143.65.4109.7
1387E28.5Very low32Very low157 Ų157150.8 Ų150.873%0.73480%0.802SS**  trans58.5165158.7-71.6127.6-147.900115.6
1388C31.2Very low32.2Very low124 Ų124149.3 Ų149.384%0.83880%0.8SS**  cis-139.1-174.9-2.2-146.40000111.7
1389K28.7Very low32.3Very low195 Ų195147.3 Ų147.385%0.84880%0.796SS**  trans-98139-179.7-47.2166.9-176.1173.90111.9
1390S33.1Very low32.4Very low103 Ų103148.9 Ų148.972%0.7280%0.795SS**  trans177.3106.715548.30000108.9
1391T32.1Very low32.5Very low113 Ų113147.8 Ų147.869%0.69380%0.796SS**  64.2105.993.559.90000115.7
1392D30.5Very low32.1Very low144 Ų144149.4 Ų149.477%0.7780%0.797SS**  trans66173.6132.6-42.5-34000120.7
1393M34.1Very low32Very low155 Ų155153 Ų15376%0.76481%0.808SS**  trans69.899.2-176.8-43.9-65.3-71.800114
1394E32.2Very low31.5Very low155 Ų155148.9 Ų148.972%0.72480%0.8SS**  96127.663.2-83.8-171.214700114.2
1395T31.5Very low31.6Very low124 Ų124147.9 Ų147.976%0.76180%0.797SS**  trans42.6117.815259.80000120.9
1396S34Very low31.4Very low114 Ų114151.4 Ų151.480%0.79780%0.802SS**  176.683101.565.90000113.9
1397L30Very low31.4Very low232 Ų232146.9 Ų146.9100%1.21581%0.806SS**  trans174.10146.6-100.8168.5000110.6

Retrieved 1,397 of 1,397 residues in 363.1 ms (Link to these results)

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