A0A3Q0KQ97_SCHMA Loading...

Putative ring finger protein B (Protein rngB)

AlphaFold DB , UniProt , Accession A0A3Q0KQ97, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,289 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
1M87.3Confident95.1Very high31 Ų3110.8 Ų10.815%0.1535%0.05CC..  0146.10164.9174.5147.700106.9I3 W119 I123 A129 I130 F158 L164M1-I3 HydrophobicContact CE-CD1 3.65Å; M1-W119 HydrophobicContact CB-CE3 4.37Å; M1-W119 HydrophobicContact CB-CH2 3.84Å; M1-W119 HydrophobicContact CB-CZ2 3.99Å; M1-W119 HydrophobicContact CB-CZ3 4.02Å; M1-W119 HydrophobicContact CE-CB 4.5Å; M1-W119 HydrophobicContact CE-CD2 4.39Å; M1-W119 HydrophobicContact CE-CE3 4.36Å; M1-W119 HydrophobicContact CE-CG 4.48Å; M1-W119 HydrophobicContact SD-CD2 4.45Å; M1-W119 HydrophobicContact SD-CE3 4.03Å; M1-W119 HydrophobicContact SD-CZ3 4.33Å; M1-I123 HydrophobicContact CE-CD1 3.68Å; M1-A129 HydrophobicContact CE-CB 3.38Å; M1-A129 HydrophobicContact SD-CB 4.09Å; M1-I130 WeakPolarHBondContact CA-O 3.39Å; M1-F158 HydrophobicContact CE-CE1 4.27Å; M1-L164 HydrophobicContact CG-CD1 4.23Å; M1-L164 HydrophobicContact SD-CB 4.07Å; M1-L164 HydrophobicContact SD-CD1 4.15Å
2E93.3Very high95Very high28 Ų2812.3 Ų12.313%0.1316%0.063CC..EExtended strand (participates in β ladder)trans-119.3166.7175.6-77.6172.2103.100109.8Q111 M112 D113 I130 R132E2-Q111 WeakPolarHBondContact OE1-CG 3.37Å; E2-Q111 PolarHBondContact OE1-NE2 3.05Å; E2-Q111 PolarHBondContact OE2-NE2 2.96Å; E2-M112 WeakPolarHBondContact CA-O 3.38Å; E2-M112 VanDerWaalsContact CB-O 3.32Å; E2-M112 WeakPolarHBondContact CB-O 3.36Å; E2-D113 HydrophobicContact CG-CB 3.9Å; E2-D113 WeakPolarHBondContact CG-OD1 3.45Å; E2-I130 HydrophobicContact CB-CD1 4.3Å; E2-I130 HydrophobicContact CB-CG1 3.86Å; E2-I130 PolarHBondContact N-O 2.89Å; E2-I130 PolarHBondContact O-N 2.84Å; E2-R132 HydrophobicContact CG-CG 3.79Å; E2-R132 WeakPolarHBondContact OE2-CA 3.4Å
3I94.7Very high95Very high0 Ų012.2 Ų12.20%06%0.063CC..EExtended strand (participates in β ladder)trans-115.2127.4176.9-58.1-61.3000109.8M1 F5 M112 P114 L122 I123 I128M1-I3 HydrophobicContact CE-CD1 3.65Å; I3-F5 HydrophobicContact CG2-CD2 3.99Å; I3-F5 HydrophobicContact CG2-CE2 3.63Å; I3-F5 HydrophobicContact CG2-CZ 4.23Å; I3-M112 PolarHBondContact N-O 3.25Å; I3-M112 PolarHBondContact O-N 2.78Å; I3-P114 HydrophobicContact CB-CG 4.29Å; I3-P114 HydrophobicContact CG1-CG 3.66Å; I3-L122 HydrophobicContact CG1-CB 4.24Å; I3-L122 HydrophobicContact CG1-CD1 4.36Å; I3-L122 HydrophobicContact CG2-CB 4.18Å; I3-I123 HydrophobicContact CD1-CD1 4.21Å; I3-I123 HydrophobicContact CD1-CG1 3.81Å; I3-I128 WeakPolarHBondContact CA-O 3.41Å
4L96.2Very high94.7Very high1 Ų121 Ų211%0.00510%0.104CC..EExtended strand (participates in β ladder)trans-106.3107.4177.5-176.271000110.3V6 T109 Q111 I128 I130 V139 I142L4-V6 HydrophobicContact CD2-CG2 4.12Å; L4-V6 HydrophobicContact CG-CG2 4.01Å; L4-T109 HydrophobicContact CD1-CG2 4.38Å; L4-Q111 HydrophobicContact CD1-CB 4.31Å; L4-I128 HydrophobicContact CB-CB 4.27Å; L4-I128 PolarHBondContact N-O 3.24Å; L4-I128 PolarHBondContact O-N 3.43Å; L4-I130 HydrophobicContact CB-CD1 4.02Å; L4-I130 HydrophobicContact CB-CG1 4.35Å; L4-I130 HydrophobicContact CB-CG2 4.05Å; L4-I130 HydrophobicContact CD2-CG2 4.31Å; L4-V139 HydrophobicContact CD1-CG1 4.02Å; L4-V139 HydrophobicContact CD1-CG2 4.28Å; L4-V139 HydrophobicContact CD2-CG1 4.17Å; L4-V139 HydrophobicContact CD2-CG2 4.37Å; L4-I142 HydrophobicContact CD2-CD1 3.78Å; L4-I142 HydrophobicContact CD2-CG2 4.2Å
5F96.1Very high94.6Very high3 Ų330.2 Ų30.21%0.01314%0.137CC..EExtended strand (participates in β ladder)trans-84131168.3-76.7-84000110.3I3 F7 F43 F85 L86 T109 I110 M112 L122 L125I3-F5 HydrophobicContact CG2-CD2 3.99Å; I3-F5 HydrophobicContact CG2-CE2 3.63Å; I3-F5 HydrophobicContact CG2-CZ 4.23Å; F5-F7 HydrophobicContact CB-CD2 4.48Å; F5-F7 HydrophobicContact CB-CE2 3.66Å; F5-F7 HydrophobicContact CB-CZ 4.14Å; F5-F43 HydrophobicContact CD1-CD2 4.49Å; F5-F43 AromaticContact CD1-CE2 3.71Å; F5-F43 HydrophobicContact CD1-CE2 3.71Å; F5-F43 AromaticContact CD1-CZ 3.91Å; F5-F43 HydrophobicContact CD1-CZ 3.91Å; F5-F43 HydrophobicContact CE1-CD2 4.2Å; F5-F43 AromaticContact CE1-CE2 3.78Å; F5-F43 HydrophobicContact CE1-CE2 3.78Å; F5-F43 AromaticContact CE1-CZ 3.97Å; F5-F43 HydrophobicContact CE1-CZ 3.97Å; F5-F85 HydrophobicContact CD2-CE2 4.34Å; F5-F85 HydrophobicContact CG-CE2 4.47Å; F5-L86 HydrophobicContact CE2-CD1 3.86Å; F5-L86 HydrophobicContact CZ-CD1 4.04Å; F5-T109 CarbonylContact O-C 3.08Å; F5-T109 WeakPolarHBondContact O-CA 3.44Å; F5-I110 PolarHBondContact N-O 2.66Å; F5-I110 PolarHBondContact O-N 3.45Å; F5-M112 HydrophobicContact CD2-SD 3.73Å; F5-M112 HydrophobicContact CE2-SD 3.81Å; F5-L122 HydrophobicContact CE2-CB 4.37Å; F5-L122 HydrophobicContact CE2-CD2 4.12Å; F5-L122 HydrophobicContact CZ-CB 4.12Å; F5-L122 HydrophobicContact CZ-CD2 3.95Å; F5-L125 HydrophobicContact CE1-CB 4.34Å
6V96.5Very high94.3Very high4 Ų431.8 Ų31.82%0.02414%0.143CC..EExtended strand (participates in β ladder)trans-120.6120.1-179.3-171.10000109.4L4 W34 Y107 T109 I128 V143 I146L4-V6 HydrophobicContact CD2-CG2 4.12Å; L4-V6 HydrophobicContact CG-CG2 4.01Å; V6-W34 HydrophobicContact CB-CB 3.81Å; V6-W34 HydrophobicContact CB-CG 3.93Å; V6-W34 HydrophobicContact CG1-CB 3.89Å; V6-W34 HydrophobicContact CG1-CG 4.49Å; V6-W34 WeakPolarHBondContact O-CB 3.46Å; V6-W34 PolarHBondContact O-N 2.98Å; V6-Y107 HydrophobicContact CG1-CD1 3.92Å; V6-Y107 HydrophobicContact CG1-CG 4.48Å; V6-T109 HydrophobicContact CG1-CG2 4.35Å; V6-T109 HydrophobicContact CG2-CG2 4.24Å; V6-I128 HydrophobicContact CG2-CD1 3.87Å; V6-V143 HydrophobicContact CG1-CG2 4.29Å; V6-I146 HydrophobicContact CB-CD1 4.48Å; V6-I146 HydrophobicContact CG1-CD1 4.21Å; V6-I146 HydrophobicContact CG2-CD1 4.33Å
7F96.8Very high94.1Very high2 Ų238.3 Ų38.31%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-110.8135.1-177.4-60.6-95.5000110.3F5 V31 D32 L40 F43 V44 V83 F85 F92 Y107 R108 I110F5-F7 HydrophobicContact CB-CD2 4.48Å; F5-F7 HydrophobicContact CB-CE2 3.66Å; F5-F7 HydrophobicContact CB-CZ 4.14Å; F7-V31 HydrophobicContact CB-CG1 4.42Å; F7-V31 HydrophobicContact CD1-CG1 4.23Å; F7-D32 CarbonylContact C-O 3.54Å; F7-D32 WeakPolarHBondContact CA-O 3.47Å; F7-L40 HydrophobicContact CD1-CD1 4.27Å; F7-L40 HydrophobicContact CD1-CD2 3.97Å; F7-L40 HydrophobicContact CE1-CD2 3.95Å; F7-F43 HydrophobicContact CE1-CE2 4.05Å; F7-F43 HydrophobicContact CE1-CZ 4.48Å; F7-F43 HydrophobicContact CZ-CE2 4.05Å; F7-V44 HydrophobicContact CE1-CG2 4.21Å; F7-V83 HydrophobicContact CE1-CG1 4.11Å; F7-F85 HydrophobicContact CZ-CD1 4.36Å; F7-F85 AromaticContact CZ-CD2 3.99Å; F7-F85 HydrophobicContact CZ-CD2 3.99Å; F7-F85 HydrophobicContact CZ-CE2 4.14Å; F7-F85 HydrophobicContact CZ-CG 4.11Å; F7-F85 HydrophobicContact CZ-CZ 4.42Å; F7-F92 HydrophobicContact CB-CE2 4.08Å; F7-F92 HydrophobicContact CB-CZ 4.43Å; F7-F92 HydrophobicContact CD2-CE2 4.26Å; F7-F92 AromaticContact CD2-CZ 3.92Å; F7-F92 HydrophobicContact CD2-CZ 3.92Å; F7-F92 HydrophobicContact CE2-CZ 4.5Å; F7-F92 HydrophobicContact CG-CE2 4.15Å; F7-F92 HydrophobicContact CG-CZ 4.28Å; F7-Y107 CarbonylContact O-C 3.43Å; F7-Y107 WeakPolarHBondContact O-CA 3.29Å; F7-R108 PolarHBondContact N-O 3.12Å; F7-R108 PolarHBondContact O-N 3.06Å; F7-I110 HydrophobicContact CD2-CD1 4.29Å; F7-I110 HydrophobicContact CD2-CG1 4.44Å; F7-I110 HydrophobicContact CE2-CD1 3.68Å; F7-I110 HydrophobicContact CE2-CG1 4.07Å; F7-I110 HydrophobicContact CZ-CD1 4.39Å
8K96Very high94Very high46 Ų4645.3 Ų45.320%0.222%0.219CC..EExtended strand (participates in β ladder)trans-91.9111.5172.3-173.5173-175.4163.20109.1V31 D32 S33 H105 Y107K8-V31 WeakPolarHBondContact O-CA 3.03Å; K8-D32 HydrophobicContact CB-CB 4.38Å; K8-D32 PolarHBondContact N-O 3.49Å; K8-D32 PolarHBondContact O-N 3.38Å; K8-S33 WeakPolarHBondContact CB-O 3.42Å; K8-H105 WeakPolarHBondContact CE-CD2 3.49Å; K8-H105 WeakPolarHBondContact CE-NE2 3.37Å; K8-H105 HydrophobicContact CG-CB 4.26Å; K8-H105 PolarHBondContact NZ-NE2 3.14Å; K8-Y107 HydrophobicContact CB-CD1 4.12Å; K8-Y107 HydrophobicContact CB-CE1 3.77Å; K8-Y107 HydrophobicContact CD-CE1 4.17Å; K8-Y107 HydrophobicContact CG-CE1 3.97Å
9V97.1Very high93.7Very high0 Ų046.7 Ų46.70%023%0.232CC..EExtended strand (participates in β ladder)trans-106.3120.6178-178.20000108.7V31 I81 F92 Y94 H105 T106 R108V9-V31 HydrophobicContact CG2-CG1 4.49Å; V9-V31 HydrophobicContact CG2-CG2 4.46Å; V9-I81 HydrophobicContact CG1-CD1 3.62Å; V9-F92 HydrophobicContact CG2-CD2 3.84Å; V9-F92 HydrophobicContact CG2-CE2 4.28Å; V9-Y94 HydrophobicContact CB-CD2 4.42Å; V9-Y94 HydrophobicContact CG1-CD1 3.97Å; V9-Y94 HydrophobicContact CG1-CD2 3.71Å; V9-Y94 HydrophobicContact CG1-CE1 4.3Å; V9-Y94 HydrophobicContact CG1-CE2 4.09Å; V9-Y94 HydrophobicContact CG1-CG 3.67Å; V9-H105 CarbonylContact O-C 3.58Å; V9-H105 VanDerWaalsContact O-CA 3.25Å; V9-H105 WeakPolarHBondContact O-CA 3.45Å; V9-H105 WeakPolarHBondContact O-CB 3.3Å; V9-T106 HydrophobicContact CB-CG2 4.34Å; V9-T106 PolarHBondContact N-O 3.44Å; V9-T106 PolarHBondContact O-N 2.98Å; V9-R108 HydrophobicContact CB-CG 4.48Å; V9-R108 HydrophobicContact CG2-CB 4.36Å; V9-R108 HydrophobicContact CG2-CG 3.82Å
10G95.3Very high93.4Very high0 Ų048.2 Ų48.20%024%0.243CC..EExtended strand (participates in β ladder)trans-141.3162.3-169.700000115.4C29 Y30 Y94 L104G10-C29 CarbonylContact O-C 3.5Å; G10-C29 WeakPolarHBondContact O-CA 3.27Å; G10-C29 PolarHBondContact O-SG 3.19Å; G10-Y30 VanDerWaalsContact C-CE1 3.5Å; G10-Y30 PolarHBondContact N-O 3.49Å; G10-Y30 WeakPolarHBondContact O-CD1 3.25Å; G10-Y30 PolarHBondContact O-N 3.13Å; G10-Y94 WeakPolarHBondContact CA-OH 3.37Å; G10-L104 CarbonylContact C-O 3.56Å; G10-L104 WeakPolarHBondContact CA-O 2.97Å
11H96.5Very high93.3Very high4 Ų452.7 Ų52.72%0.01927%0.268CS..EExtended strand (participates in β ladder)trans-139.9155.6164.468.9-80.4000112.2R28 C29 Y94 D95 T97 A103 L104H11-R28 CarbonylContact C-O 3.57Å; H11-R28 WeakPolarHBondContact CA-O 3.01Å; H11-R28 VanDerWaalsContact CB-O 3.24Å; H11-R28 WeakPolarHBondContact CB-O 3.34Å; H11-C29 HydrophobicContact CB-CB 4.31Å; H11-Y94 HydrophobicContact CB-CE1 4.09Å; H11-Y94 PolarHBondContact N-OH 3.18Å; H11-Y94 AromaticContact ND1-CE1 3.25Å; H11-Y94 WeakPolarHBondContact ND1-CE1 3.35Å; H11-Y94 AromaticContact ND1-CZ 3.35Å; H11-Y94 PolarHBondContact ND1-OH 3.25Å; H11-D95 PolarHBondContact CE1-O 3Å; H11-T97 PolarHBondContact CE1-N 3.34Å; H11-T97 PolarHBondContact NE2-N 2.97Å; H11-T97 VanDerWaalsContact NE2-N 3.1Å; H11-T97 PolarHBondContact NE2-O 3.06Å; H11-T97 VanDerWaalsContact NE2-O 3.11Å; H11-T97 PolarHBondContact NE2-OG1 2.8Å; H11-A103 WeakPolarHBondContact O-CA 3.42Å; H11-L104 PolarHBondContact N-O 3.25Å; H11-L104 PolarHBondContact O-N 3.22Å; H11-L104 VanDerWaalsContact O-O 3.1Å
12S94.6Very high93.3Very high29 Ų2953.7 Ų53.720%0.20329%0.286CS..EExtended strand (participates in β ladder)trans-128.8146.3168.156.10000110W27 R28 N102S12-W27 VanDerWaalsContact O-CA 3.28Å; S12-W27 WeakPolarHBondContact O-CA 3.39Å; S12-R28 PolarHBondContact N-O 3.02Å; S12-R28 PolarHBondContact O-N 2.62Å; S12-N102 WeakPolarHBondContact CB-O 3.32Å
13V94.3Very high93.3Very high11 Ų1155.4 Ų55.47%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-125.5136.7-172.7-1710000109.7H25 L98V13-H25 HydrophobicContact CG1-CB 3.86Å; V13-L98 HydrophobicContact CG1-CD2 4.11Å; V13-L98 HydrophobicContact CG2-CD2 4.27Å
14Q91.8Very high93.3Very high135 Ų13557.6 Ų57.663%0.63131%0.305SS*.EExtended strand (participates in β ladder)trans-130.8109.2173.8-63.2-176.417.900109.4K16 H26Q14-K16 PolarHBondContact O-N 3.42Å; Q14-H26 PolarHBondContact N-O 2.84Å; Q14-H26 PolarHBondContact O-N 3.42Å
15R92.3Very high93.2Very high159 Ų15958.6 Ų58.660%0.631%0.309SS*.EExtended strand (participates in β ladder)trans-66.5126.6177.1-176.5169.9173.1179.50.5111.4D100R15-D100 WeakPolarHBondContact CB-OD1 3.21Å; R15-D100 VanDerWaalsContact CD-OD1 3.26Å; R15-D100 WeakPolarHBondContact CD-OD1 3.19Å; R15-D100 WeakPolarHBondContact CD-OD2 3.12Å; R15-D100 IonicContact CZ-OD2 3.56Å; R15-D100 IonicContact NH1-OD2 3.6Å; R15-D100 PolarHBondContact NH1-OD2 2.89Å
16K90.9Very high93.1Very high55 Ų5560.9 Ų60.924%0.23932%0.32CS..EExtended strand (participates in β ladder)trans-78.9128.2-173.6-50.5-166.576.3143.30109.4Q14 K18 T24 H26 D72Q14-K16 PolarHBondContact O-N 3.42Å; K16-K18 PolarHBondContact O-N 2.71Å; K16-T24 PolarHBondContact N-O 3.32Å; K16-H26 HydrophobicContact CD-CB 4.15Å; K16-H26 HydrophobicContact CG-CB 4.19Å; K16-D72 IonicContact NZ-OD1 2.6Å; K16-D72 PolarHBondContact NZ-OD1 3.1Å; K16-D72 IonicContact NZ-OD2 3.27Å; K16-D72 PolarHBondContact NZ-OD2 3.45Å
17P91Very high93Very high143 Ų14360.8 Ų60.893%0.92932%0.319SS*.EExtended strand (participates in β ladder)trans-67.2-20.8-177.527.1-35.4000113
18K91.2Very high93Very high165 Ų16565 Ų6572%0.71734%0.335SS*.EExtended strand (participates in β ladder)trans-133.9107.9169.2-175.5-179.8179.6-174.60107.9K16K16-K18 PolarHBondContact O-N 2.71Å
19P89.5Confident93Very high71 Ų7162.8 Ų62.846%0.46133%0.326SS..EExtended strand (participates in β ladder)trans-57.6143.1173.4-26.936.2000111.6R23 T24P19-R23 VanDerWaalsContact CA-O 3.29Å; P19-R23 WeakPolarHBondContact CA-O 3.37Å; P19-R23 WeakPolarHBondContact CB-O 3.48Å; P19-T24 HydrophobicContact CB-CG2 4.28Å; P19-T24 HydrophobicContact CG-CG2 4.17Å
20V87.5Confident93Very high76 Ų7664.8 Ų64.846%0.46133%0.333SS..EExtended strand (participates in β ladder)trans-122.9126.9179-1800000108G22 R23V20-G22 PolarHBondContact O-N 3.34Å; V20-G22 VanDerWaalsContact O-N 3.17Å; V20-R23 PolarHBondContact N-O 3.44Å; V20-R23 WeakPolarHBondContact O-CB 3.37Å; V20-R23 PolarHBondContact O-N 3.46Å
21N89.8Confident93.2Very high144 Ų14465 Ų6577%0.7734%0.335SS*.THydrogen-bonded Turntrans49.340.7-177-57.85.9000113R23N21-R23 PolarHBondContact O-N 3.21Å; N21-R23 VanDerWaalsContact O-N 3.16Å
22G88.2Confident93.1Very high52 Ų5268.3 Ų68.354%0.53635%0.353SS..THydrogen-bonded Turntrans76.4-13.6-17700000115.7V20 T24V20-G22 PolarHBondContact O-N 3.34Å; V20-G22 VanDerWaalsContact O-N 3.17Å; G22-T24 PolarHBondContact O-N 2.87Å
23R92.6Very high93.1Very high64 Ų6467.4 Ų67.424%0.24235%0.346CS..EExtended strand (participates in β ladder)trans-71.7116.7178.1-59.9167.2169144.8-5109.5P19 V20 N21 E56 D72 G73P19-R23 VanDerWaalsContact CA-O 3.29Å; P19-R23 WeakPolarHBondContact CA-O 3.37Å; P19-R23 WeakPolarHBondContact CB-O 3.48Å; V20-R23 PolarHBondContact N-O 3.44Å; V20-R23 WeakPolarHBondContact O-CB 3.37Å; V20-R23 PolarHBondContact O-N 3.46Å; N21-R23 PolarHBondContact O-N 3.21Å; N21-R23 VanDerWaalsContact O-N 3.16Å; R23-E56 IonicContact NH1-OE1 3.74Å; R23-E56 IonicContact NH2-OE1 2.67Å; R23-E56 PolarHBondContact NH2-OE1 2.92Å; R23-E56 VanDerWaalsContact NH2-OE1 3.15Å; R23-D72 HydrophobicContact CB-CB 3.94Å; R23-D72 VanDerWaalsContact CD-O 3.29Å; R23-D72 WeakPolarHBondContact CD-O 3.33Å; R23-D72 HydrophobicContact CG-CB 4.25Å; R23-D72 PolarHBondContact NE-O 3.05Å; R23-G73 CarbonylContact C-O 3.6Å
24T94.3Very high93.1Very high46 Ų4667.1 Ų67.128%0.28234%0.344SS..EExtended strand (participates in β ladder)trans-99.7-24.7-169.850.50000113.9K16 P19 G22 G73 F74K16-T24 PolarHBondContact N-O 3.32Å; P19-T24 HydrophobicContact CB-CG2 4.28Å; P19-T24 HydrophobicContact CG-CG2 4.17Å; G22-T24 PolarHBondContact O-N 2.87Å; T24-G73 PolarHBondContact N-O 3.1Å; T24-F74 WeakPolarHBondContact OG1-CA 3.19Å
25H94.2Very high93.2Very high21 Ų2160.7 Ų60.710%0.09731%0.314CS..EExtended strand (participates in β ladder)trans-127.9139.6-179.9-57.582.2000110V13 D72 G73 L98V13-H25 HydrophobicContact CG1-CB 3.86Å; H25-D72 WeakPolarHBondContact O-CA 3.48Å; H25-G73 PolarHBondContact N-O 3.36Å; H25-G73 PolarHBondContact O-N 3.18Å; H25-L98 HydrophobicContact CB-CD1 4.22Å; H25-L98 HydrophobicContact CB-CD2 4.24Å
26H94.7Very high93.2Very high51 Ų5157.1 Ų57.124%0.23631%0.311CS..EExtended strand (participates in β ladder)trans-88.1140.7158.6-177.258.6000107.7Q14 K16 E71 D72Q14-H26 PolarHBondContact N-O 2.84Å; Q14-H26 PolarHBondContact O-N 3.42Å; K16-H26 HydrophobicContact CD-CB 4.15Å; K16-H26 HydrophobicContact CG-CB 4.19Å; H26-E71 WeakPolarHBondContact CA-O 3.24Å; H26-E71 PolarHBondContact ND1-O 3.25Å; H26-D72 WeakPolarHBondContact CB-OD1 3.5Å; H26-D72 IonicContact CG-OD1 3.68Å; H26-D72 IonicContact ND1-OD1 3.11Å; H26-D72 PolarHBondContact ND1-OD1 3.2Å
27W95.3Very high93.2Very high2 Ų260.3 Ų60.31%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-144.3149.8179.456.5-96.4000111.8S12 C29 L51 F55 I69 E70 E71 F77 L96 L98S12-W27 VanDerWaalsContact O-CA 3.28Å; S12-W27 WeakPolarHBondContact O-CA 3.39Å; W27-C29 HydrophobicContact CE3-CB 4.32Å; W27-C29 HydrophobicContact CZ3-CB 4.07Å; W27-L51 HydrophobicContact CH2-CD1 4.43Å; W27-L51 HydrophobicContact CH2-CD2 3.83Å; W27-F55 AromaticContact CZ2-CE1 3.98Å; W27-F55 HydrophobicContact CZ2-CE1 3.98Å; W27-F55 AromaticContact CZ2-CZ 3.75Å; W27-F55 HydrophobicContact CZ2-CZ 3.75Å; W27-I69 HydrophobicContact CH2-CD1 4.08Å; W27-I69 HydrophobicContact CZ3-CD1 3.83Å; W27-I69 HydrophobicContact CZ3-CG1 4.3Å; W27-E70 WeakPolarHBondContact O-CA 3.36Å; W27-E71 HydrophobicContact CD2-CB 4.04Å; W27-E71 HydrophobicContact CE3-CB 4.2Å; W27-E71 HydrophobicContact CH2-CB 3.53Å; W27-E71 HydrophobicContact CH2-CG 3.89Å; W27-E71 HydrophobicContact CZ2-CB 3.32Å; W27-E71 HydrophobicContact CZ2-CG 4.01Å; W27-E71 HydrophobicContact CZ3-CB 3.96Å; W27-E71 HydrophobicContact CZ3-CG 4.47Å; W27-E71 PolarHBondContact N-O 3.3Å; W27-E71 PolarHBondContact O-N 2.9Å; W27-F77 HydrophobicContact CH2-CZ 4.24Å; W27-F77 HydrophobicContact CZ2-CE1 4.09Å; W27-F77 HydrophobicContact CZ2-CZ 4.12Å; W27-L96 HydrophobicContact CD2-CD1 4.06Å; W27-L96 HydrophobicContact CD2-CD2 4.05Å; W27-L96 HydrophobicContact CE3-CD1 3.64Å; W27-L96 HydrophobicContact CE3-CD2 4.44Å; W27-L96 HydrophobicContact CG-CD2 4.19Å; W27-L96 HydrophobicContact CH2-CD1 3.97Å; W27-L96 HydrophobicContact CZ2-CD1 4.35Å; W27-L96 HydrophobicContact CZ3-CD1 3.6Å; W27-L98 HydrophobicContact CB-CD2 4.1Å; W27-L98 HydrophobicContact CG-CD2 3.99Å
28R96Very high93.3Very high90 Ų9055.3 Ų55.334%0.3429%0.285SS..EExtended strand (participates in β ladder)trans-118133.3173.2179.8-179.6177129-10.5108.6H11 S12 I69 E70H11-R28 CarbonylContact C-O 3.57Å; H11-R28 WeakPolarHBondContact CA-O 3.01Å; H11-R28 VanDerWaalsContact CB-O 3.24Å; H11-R28 WeakPolarHBondContact CB-O 3.34Å; S12-R28 PolarHBondContact N-O 3.02Å; S12-R28 PolarHBondContact O-N 2.62Å; R28-I69 CarbonylContact C-O 3.34Å; R28-I69 VanDerWaalsContact CA-O 3.28Å; R28-I69 WeakPolarHBondContact CA-O 3.3Å; R28-E70 HydrophobicContact CB-CG 3.86Å; R28-E70 VanDerWaalsContact CD-OE1 3.29Å; R28-E70 WeakPolarHBondContact CD-OE1 3.21Å; R28-E70 HydrophobicContact CG-CG 3.71Å; R28-E70 IonicContact CZ-OE1 2.8Å; R28-E70 IonicContact NE-OE1 3.44Å; R28-E70 IonicContact NH1-OE1 3.15Å; R28-E70 PolarHBondContact NH1-OE1 3.35Å
29C96.9Very high93.3Very high0 Ų050.7 Ų50.70%027%0.272CS..EExtended strand (participates in β ladder)trans-119.5144.5168.7-171.10000110G10 H11 W27 A68 I69 L79 L96G10-C29 CarbonylContact O-C 3.5Å; G10-C29 WeakPolarHBondContact O-CA 3.27Å; G10-C29 PolarHBondContact O-SG 3.19Å; H11-C29 HydrophobicContact CB-CB 4.31Å; W27-C29 HydrophobicContact CE3-CB 4.32Å; W27-C29 HydrophobicContact CZ3-CB 4.07Å; C29-A68 CarbonylContact O-C 3.4Å; C29-A68 WeakPolarHBondContact O-CA 3.34Å; C29-A68 WeakPolarHBondContact O-CB 3.36Å; C29-I69 HydrophobicContact CB-CD1 4.42Å; C29-I69 HydrophobicContact CB-CG1 4.1Å; C29-I69 PolarHBondContact N-O 2.9Å; C29-I69 PolarHBondContact O-N 2.92Å; C29-L79 HydrophobicContact CB-CD2 4.03Å; C29-L79 WeakPolarHBondContact SG-CD2 3.43Å; C29-L96 HydrophobicContact CB-CD1 4.07Å
30Y97.2Very high93.6Very high42 Ų4247.6 Ų47.617%0.16525%0.251CS..EExtended strand (participates in β ladder)trans-148.6156.2-172.964.9-89.8000113.4G10 D32 F67G10-Y30 VanDerWaalsContact C-CE1 3.5Å; G10-Y30 PolarHBondContact N-O 3.49Å; G10-Y30 WeakPolarHBondContact O-CD1 3.25Å; G10-Y30 PolarHBondContact O-N 3.13Å; Y30-D32 HydrophobicContact CD2-CB 4.17Å; Y30-D32 HydrophobicContact CE2-CB 4.44Å; Y30-F67 WeakPolarHBondContact CA-O 3.45Å
31V97.7Very high93.9Very high4 Ų447.3 Ų47.32%0.02425%0.253CS..EExtended strand (participates in β ladder)trans-120.3131.6165.7-174.40000108F7 K8 V9 L40 V47 F49 F67 I81 V83F7-V31 HydrophobicContact CB-CG1 4.42Å; F7-V31 HydrophobicContact CD1-CG1 4.23Å; K8-V31 WeakPolarHBondContact O-CA 3.03Å; V9-V31 HydrophobicContact CG2-CG1 4.49Å; V9-V31 HydrophobicContact CG2-CG2 4.46Å; V31-L40 HydrophobicContact CG1-CD1 3.95Å; V31-V47 HydrophobicContact CB-CG2 4.49Å; V31-V47 HydrophobicContact CG2-CG1 3.95Å; V31-F49 HydrophobicContact CG2-CE1 4.17Å; V31-F49 HydrophobicContact CG2-CZ 4.18Å; V31-F67 PolarHBondContact N-O 3.15Å; V31-I81 HydrophobicContact CG2-CG2 3.71Å; V31-V83 HydrophobicContact CG1-CG2 4.26Å
32D95.8Very high93.9Very high75 Ų7543.6 Ų43.640%0.40124%0.242SC..EExtended strand (participates in β ladder)trans-141.2173.4-178-154.4-8.3000111F7 K8 Y30F7-D32 CarbonylContact C-O 3.54Å; F7-D32 WeakPolarHBondContact CA-O 3.47Å; K8-D32 HydrophobicContact CB-CB 4.38Å; K8-D32 PolarHBondContact N-O 3.49Å; K8-D32 PolarHBondContact O-N 3.38Å; Y30-D32 HydrophobicContact CD2-CB 4.17Å; Y30-D32 HydrophobicContact CE2-CB 4.44Å
33S95Very high94.2Very high9 Ų941.8 Ų41.86%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-75.6168.6176.1-164.10000112.2K8 N35 Y38K8-S33 WeakPolarHBondContact CB-O 3.42Å; S33-N35 WeakPolarHBondContact CB-O 3.49Å; S33-N35 PolarHBondContact OG-O 2.79Å; S33-Y38 WeakPolarHBondContact CB-O 3.34Å; S33-Y38 PolarHBondContact OG-O 3.21Å
34W93.7Very high94.4Very high5 Ų539.1 Ų39.12%0.01921%0.21CC..SBendtrans-78.9-28.6171.271.6-86.4000113.2V6 Y38 Y107 G126 I128 I146 L152 L155 F160V6-W34 HydrophobicContact CB-CB 3.81Å; V6-W34 HydrophobicContact CB-CG 3.93Å; V6-W34 HydrophobicContact CG1-CB 3.89Å; V6-W34 HydrophobicContact CG1-CG 4.49Å; V6-W34 WeakPolarHBondContact O-CB 3.46Å; V6-W34 PolarHBondContact O-N 2.98Å; W34-Y38 HydrophobicContact CZ2-CE2 4.48Å; W34-Y107 HydrophobicContact CB-CE1 4.29Å; W34-G126 PolarHBondContact NE1-O 2.94Å; W34-I128 HydrophobicContact CD2-CD1 4.2Å; W34-I128 HydrophobicContact CH2-CD1 4.4Å; W34-I128 HydrophobicContact CH2-CG1 4.45Å; W34-I128 HydrophobicContact CZ2-CD1 3.95Å; W34-I128 HydrophobicContact CZ2-CG1 3.75Å; W34-I146 HydrophobicContact CB-CD1 4.31Å; W34-I146 HydrophobicContact CB-CG2 4.2Å; W34-I146 HydrophobicContact CD2-CD1 4Å; W34-I146 HydrophobicContact CE3-CD1 3.69Å; W34-I146 HydrophobicContact CE3-CG1 3.81Å; W34-I146 HydrophobicContact CE3-CG2 4.4Å; W34-I146 HydrophobicContact CG-CD1 4.29Å; W34-I146 HydrophobicContact CZ3-CD1 4.35Å; W34-I146 HydrophobicContact CZ3-CG1 4.26Å; W34-L152 HydrophobicContact CE3-CD2 4.45Å; W34-L155 HydrophobicContact CH2-CB 3.9Å; W34-L155 WeakPolarHBondContact CH2-O 3.35Å; W34-L155 HydrophobicContact CZ3-CB 3.77Å; W34-L155 HydrophobicContact CZ3-CD1 4.09Å; W34-F160 HydrophobicContact CH2-CE2 4.23Å; W34-F160 HydrophobicContact CZ3-CE2 4.43Å; W34-F160 HydrophobicContact CZ3-CZ 4.46Å
35N93.4Very high94.4Very high0 Ų042.6 Ų42.60%022%0.221CC..SBendtrans-130.8126.9176.5169-12.2000108.1S33 R37 Y38 L152 L155S33-N35 WeakPolarHBondContact CB-O 3.49Å; S33-N35 PolarHBondContact OG-O 2.79Å; N35-R37 PolarHBondContact O-N 3.46Å; N35-R37 VanDerWaalsContact O-N 3.13Å; N35-R37 WeakPolarHBondContact OD1-CB 3.39Å; N35-R37 WeakPolarHBondContact OD1-CG 3.2Å; N35-R37 PolarHBondContact OD1-N 2.91Å; N35-Y38 HydrophobicContact CB-CD2 4.05Å; N35-Y38 HydrophobicContact CB-CE2 4.47Å; N35-Y38 PolarHBondContact O-N 3.36Å; N35-Y38 VanDerWaalsContact O-N 3.12Å; N35-L152 PolarHBondContact ND2-O 2.87Å; N35-L155 PolarHBondContact ND2-O 3.3Å
36P91.8Very high94.6Very high84 Ų8445.5 Ų45.555%0.54523%0.234SC..THydrogen-bonded Turntrans-66-14.5-173.828.2-35.9000114.4Y38 E153P36-Y38 PolarHBondContact O-N 3.3Å; P36-E153 HydrophobicContact CG-CG 3.74Å
37R91.9Very high94.8Very high122 Ų12243.1 Ų43.146%0.4622%0.222SC..THydrogen-bonded Turntrans-65.6-19.2172.3-66.6-177.3174.8180-2.6113.7N35 P39 E153N35-R37 PolarHBondContact O-N 3.46Å; N35-R37 VanDerWaalsContact O-N 3.13Å; N35-R37 WeakPolarHBondContact OD1-CB 3.39Å; N35-R37 WeakPolarHBondContact OD1-CG 3.2Å; N35-R37 PolarHBondContact OD1-N 2.91Å; R37-P39 VanDerWaalsContact C-CD 3.47Å; R37-P39 WeakPolarHBondContact O-CD 3.26Å; R37-E153 WeakPolarHBondContact CD-O 3.25Å; R37-E153 HydrophobicContact CG-CB 4.44Å; R37-E153 HydrophobicContact CG-CG 4.03Å; R37-E153 IonicContact CZ-OE2 2.78Å; R37-E153 PolarHBondContact NE-O 3.14Å; R37-E153 IonicContact NE-OE2 2.63Å; R37-E153 PolarHBondContact NE-OE2 2.82Å; R37-E153 PolarHBondContact NH1-O 3.12Å; R37-E153 IonicContact NH2-OE2 3.69Å; R37-E153 PolarHBondContact NH2-OE2 3.46Å
38Y92.8Very high94.9Very high38 Ų3843.1 Ų43.115%0.14922%0.223CC..SBendtrans-113.877.8-178.3-56-68.5000110.5S33 W34 N35 P36 L40 Q124 P157S33-Y38 WeakPolarHBondContact CB-O 3.34Å; S33-Y38 PolarHBondContact OG-O 3.21Å; W34-Y38 HydrophobicContact CZ2-CE2 4.48Å; N35-Y38 HydrophobicContact CB-CD2 4.05Å; N35-Y38 HydrophobicContact CB-CE2 4.47Å; N35-Y38 PolarHBondContact O-N 3.36Å; N35-Y38 VanDerWaalsContact O-N 3.12Å; P36-Y38 PolarHBondContact O-N 3.3Å; Y38-L40 PolarHBondContact O-N 2.89Å; Y38-Q124 WeakPolarHBondContact CD1-O 3.47Å; Y38-P157 HydrophobicContact CE2-CG 4.17Å; Y38-P157 VanDerWaalsContact OH-CD 3.27Å; Y38-P157 WeakPolarHBondContact OH-CD 3.39Å
39P92.1Very high95Very high69 Ų6938.8 Ų38.845%0.44821%0.206SC..  trans-68129.1-17527.6-35.5000111.5R37 S41 A42R37-P39 VanDerWaalsContact C-CD 3.47Å; R37-P39 WeakPolarHBondContact O-CD 3.26Å; P39-S41 PolarHBondContact O-N 3.31Å; P39-A42 PolarHBondContact O-N 3.4Å; P39-A42 VanDerWaalsContact O-N 3.08Å
40L94.7Very high95.1Very high5 Ų541.8 Ų41.83%0.02622%0.219CC..G310 helixtrans-53.5-27.1-176.9-68.3-168.5000114.2F7 V31 Y38 A42 F43 V44 F67F7-L40 HydrophobicContact CD1-CD1 4.27Å; F7-L40 HydrophobicContact CD1-CD2 3.97Å; F7-L40 HydrophobicContact CE1-CD2 3.95Å; V31-L40 HydrophobicContact CG1-CD1 3.95Å; Y38-L40 PolarHBondContact O-N 2.89Å; L40-A42 PolarHBondContact O-N 3.44Å; L40-F43 HydrophobicContact CD2-CE1 3.96Å; L40-F43 HydrophobicContact CD2-CE2 4.21Å; L40-F43 HydrophobicContact CD2-CZ 3.46Å; L40-F43 VanDerWaalsContact CD2-CZ 3.46Å; L40-F43 PolarHBondContact O-N 3.35Å; L40-F43 VanDerWaalsContact O-N 3.1Å; L40-V44 HydrophobicContact CB-CB 4.25Å; L40-V44 HydrophobicContact CB-CG2 3.76Å; L40-V44 HydrophobicContact CD1-CG2 4.3Å; L40-V44 HydrophobicContact CD2-CG2 4.1Å; L40-V44 HydrophobicContact CG-CG2 4.27Å; L40-V44 VanDerWaalsContact O-CB 3.3Å; L40-V44 WeakPolarHBondContact O-CB 3.34Å; L40-V44 WeakPolarHBondContact O-CG2 3.47Å; L40-V44 PolarHBondContact O-N 3.23Å; L40-F67 HydrophobicContact CB-CD2 3.88Å; L40-F67 HydrophobicContact CB-CE2 3.74Å; L40-F67 HydrophobicContact CD1-CD2 4.23Å
41S93Very high95.1Very high71 Ų7140.1 Ų40.150%0.49721%0.213SC..G310 helixtrans-60-16178.848.20000114.7P39P39-S41 PolarHBondContact O-N 3.31Å
42A91.6Very high95Very high65 Ų6544.5 Ų44.554%0.53723%0.233SC..G310 helixtrans-76.1-19.4175.800000113.8P39 L40 L125P39-A42 PolarHBondContact O-N 3.4Å; P39-A42 VanDerWaalsContact O-N 3.08Å; L40-A42 PolarHBondContact O-N 3.44Å; A42-L125 HydrophobicContact CB-CD2 3.54Å
43F93.3Very high95Very high15 Ų1548 Ų487%0.06625%0.252CS..THydrogen-bonded Turntrans-144.1-18.1-175.363.9-82.1000116F5 F7 L40 K45 F85 L86 L125F5-F43 HydrophobicContact CD1-CD2 4.49Å; F5-F43 AromaticContact CD1-CE2 3.71Å; F5-F43 HydrophobicContact CD1-CE2 3.71Å; F5-F43 AromaticContact CD1-CZ 3.91Å; F5-F43 HydrophobicContact CD1-CZ 3.91Å; F5-F43 HydrophobicContact CE1-CD2 4.2Å; F5-F43 AromaticContact CE1-CE2 3.78Å; F5-F43 HydrophobicContact CE1-CE2 3.78Å; F5-F43 AromaticContact CE1-CZ 3.97Å; F5-F43 HydrophobicContact CE1-CZ 3.97Å; F7-F43 HydrophobicContact CE1-CE2 4.05Å; F7-F43 HydrophobicContact CE1-CZ 4.48Å; F7-F43 HydrophobicContact CZ-CE2 4.05Å; L40-F43 HydrophobicContact CD2-CE1 3.96Å; L40-F43 HydrophobicContact CD2-CE2 4.21Å; L40-F43 HydrophobicContact CD2-CZ 3.46Å; L40-F43 VanDerWaalsContact CD2-CZ 3.46Å; L40-F43 PolarHBondContact O-N 3.35Å; L40-F43 VanDerWaalsContact O-N 3.1Å; F43-K45 PolarHBondContact O-N 3.03Å; F43-F85 HydrophobicContact CD2-CB 4.1Å; F43-F85 HydrophobicContact CD2-CD2 4.01Å; F43-F85 HydrophobicContact CE2-CD2 4.19Å; F43-F85 CarbonylContact O-C 3.35Å; F43-F85 VanDerWaalsContact O-CA 3.29Å; F43-F85 WeakPolarHBondContact O-CA 3.27Å; F43-L86 HydrophobicContact CB-CD2 3.98Å; F43-L86 HydrophobicContact CB-CG 4.39Å; F43-L86 PolarHBondContact O-N 3.03Å; F43-L125 HydrophobicContact CB-CD1 4.05Å; F43-L125 HydrophobicContact CB-CD2 4.16Å; F43-L125 HydrophobicContact CB-CG 4.49Å; F43-L125 HydrophobicContact CD1-CB 3.99Å; F43-L125 HydrophobicContact CD1-CD2 4.13Å; F43-L125 HydrophobicContact CE1-CB 4.47Å; F43-L125 WeakPolarHBondContact CE1-O 3.2Å; F43-L125 HydrophobicContact CG-CB 4.38Å
44V96.4Very high94.9Very high7 Ų751.4 Ų51.44%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-84.2111.3174.7-179.10000109.8F7 L40 V47 F67 V83 A84 F85F7-V44 HydrophobicContact CE1-CG2 4.21Å; L40-V44 HydrophobicContact CB-CB 4.25Å; L40-V44 HydrophobicContact CB-CG2 3.76Å; L40-V44 HydrophobicContact CD1-CG2 4.3Å; L40-V44 HydrophobicContact CD2-CG2 4.1Å; L40-V44 HydrophobicContact CG-CG2 4.27Å; L40-V44 VanDerWaalsContact O-CB 3.3Å; L40-V44 WeakPolarHBondContact O-CB 3.34Å; L40-V44 WeakPolarHBondContact O-CG2 3.47Å; L40-V44 PolarHBondContact O-N 3.23Å; V44-V47 HydrophobicContact CG1-CG2 3.83Å; V44-F67 HydrophobicContact CB-CE2 3.95Å; V44-F67 HydrophobicContact CB-CZ 3.93Å; V44-F67 HydrophobicContact CG1-CE1 4.09Å; V44-F67 HydrophobicContact CG1-CE2 4.08Å; V44-F67 HydrophobicContact CG1-CZ 3.83Å; V44-F67 WeakPolarHBondContact O-CZ 3.35Å; V44-V83 HydrophobicContact CG1-CG1 4Å; V44-V83 HydrophobicContact CG2-CG1 4.31Å; V44-A84 CarbonylContact C-O 3.52Å; V44-F85 HydrophobicContact CB-CB 4.32Å; V44-F85 HydrophobicContact CG2-CB 3.85Å
45K95.9Very high95.1Very high120 Ų12052.2 Ų52.252%0.52228%0.276SS..EExtended strand (participates in β ladder)trans-74.1-30.4-179.7-66.9173.7176.3165.20112.7F43 A84 L86 D87F43-K45 PolarHBondContact O-N 3.03Å; K45-A84 PolarHBondContact N-O 3.04Å; K45-L86 WeakPolarHBondContact CD-O 3.41Å; K45-L86 WeakPolarHBondContact CE-O 3.15Å; K45-L86 PolarHBondContact NZ-O 3.38Å; K45-D87 IonicContact NZ-OD1 2.69Å; K45-D87 PolarHBondContact NZ-OD1 3.04Å
46K97.3Very high95Very high82 Ų8260.4 Ų60.436%0.35732%0.315SS..EExtended strand (participates in β ladder)trans-172157.4173.756.7-179.9-179.2-1750111.4V61 V62 R63 A84K46-V61 HydrophobicContact CB-CG1 4.29Å; K46-V61 HydrophobicContact CD-CG1 4.27Å; K46-V62 CarbonylContact C-O 3.55Å; K46-V62 WeakPolarHBondContact CA-O 3.18Å; K46-R63 HydrophobicContact CB-CG 4.39Å; K46-A84 HydrophobicContact CD-CB 4.42Å; K46-A84 HydrophobicContact CG-CB 3.69Å; K46-A84 PolarHBondContact N-O 2.89Å; K46-A84 PolarHBondContact O-N 2.88Å
47V98.4Very high95.1Very high0 Ų060.6 Ų60.60%031%0.311CS..EExtended strand (participates in β ladder)trans-118.9134.7163.3-178.30000109.1V31 V44 F49 V62 F67 I81 E82 V83V31-V47 HydrophobicContact CB-CG2 4.49Å; V31-V47 HydrophobicContact CG2-CG1 3.95Å; V44-V47 HydrophobicContact CG1-CG2 3.83Å; V47-F49 HydrophobicContact CB-CE2 4.13Å; V47-F49 HydrophobicContact CB-CZ 4.42Å; V47-F49 HydrophobicContact CG1-CD2 4.14Å; V47-F49 HydrophobicContact CG1-CE1 4.13Å; V47-F49 HydrophobicContact CG1-CE2 3.61Å; V47-F49 HydrophobicContact CG1-CZ 3.6Å; V47-V62 PolarHBondContact N-O 3.48Å; V47-V62 PolarHBondContact O-N 3.45Å; V47-F67 HydrophobicContact CB-CB 4.32Å; V47-F67 HydrophobicContact CB-CD1 4.14Å; V47-F67 HydrophobicContact CG2-CB 3.83Å; V47-F67 HydrophobicContact CG2-CD1 3.7Å; V47-F67 HydrophobicContact CG2-CE1 4.41Å; V47-F67 HydrophobicContact CG2-CG 3.81Å; V47-I81 HydrophobicContact CG1-CG2 3.54Å; V47-E82 CarbonylContact C-O 3.56Å; V47-E82 WeakPolarHBondContact CA-O 3.34Å; V47-V83 HydrophobicContact CG1-CG2 4.42Å; V47-V83 HydrophobicContact CG2-CG1 4.41Å; V47-V83 HydrophobicContact CG2-CG2 4.31Å
48T98.3Very high95.4Very high2 Ų257 Ų571%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-115.5116.7175.8-54.30000110R59 Q60 V61 I81 E82T48-R59 HydrophobicContact CG2-CG 3.72Å; T48-Q60 CarbonylContact C-O 3.57Å; T48-Q60 WeakPolarHBondContact CA-O 3.48Å; T48-V61 HydrophobicContact CG2-CG2 3.85Å; T48-I81 CarbonylContact O-C 3.44Å; T48-I81 WeakPolarHBondContact O-CA 3.43Å; T48-E82 PolarHBondContact N-O 3.06Å; T48-E82 PolarHBondContact O-N 3.36Å
49F98.3Very high95.6Very high0 Ų061.6 Ų61.60%032%0.32CS..EExtended strand (participates in β ladder)trans-95.6121.4175.2-59-89.2000109V31 V47 Q60 V62 F67 I69 L79 I81V31-F49 HydrophobicContact CG2-CE1 4.17Å; V31-F49 HydrophobicContact CG2-CZ 4.18Å; V47-F49 HydrophobicContact CB-CE2 4.13Å; V47-F49 HydrophobicContact CB-CZ 4.42Å; V47-F49 HydrophobicContact CG1-CD2 4.14Å; V47-F49 HydrophobicContact CG1-CE1 4.13Å; V47-F49 HydrophobicContact CG1-CE2 3.61Å; V47-F49 HydrophobicContact CG1-CZ 3.6Å; F49-Q60 PolarHBondContact N-O 2.89Å; F49-Q60 PolarHBondContact O-N 3.43Å; F49-V62 HydrophobicContact CD2-CG2 4.14Å; F49-V62 HydrophobicContact CE2-CB 4.41Å; F49-V62 HydrophobicContact CE2-CG2 3.89Å; F49-F67 WeakPolarHBondContact CZ-O 3.45Å; F49-I69 HydrophobicContact CB-CD1 3.63Å; F49-I69 HydrophobicContact CB-CG1 4.37Å; F49-I69 HydrophobicContact CD1-CD1 3.92Å; F49-I69 HydrophobicContact CD1-CG1 4.02Å; F49-I69 HydrophobicContact CD2-CB 4.49Å; F49-I69 HydrophobicContact CD2-CD1 4.28Å; F49-I69 HydrophobicContact CD2-CG1 4.09Å; F49-I69 HydrophobicContact CD2-CG2 3.6Å; F49-I69 HydrophobicContact CE1-CG1 4.31Å; F49-I69 HydrophobicContact CE2-CG1 4.38Å; F49-I69 HydrophobicContact CE2-CG2 3.99Å; F49-I69 HydrophobicContact CG-CD1 3.7Å; F49-I69 HydrophobicContact CG-CG1 3.91Å; F49-I69 HydrophobicContact CG-CG2 4.16Å; F49-I69 HydrophobicContact CZ-CG1 4.48Å; F49-L79 HydrophobicContact CB-CD1 4.31Å; F49-L79 HydrophobicContact CD1-CD2 4.27Å; F49-I81 HydrophobicContact CD1-CD1 4.14Å; F49-I81 HydrophobicContact CD1-CG1 3.96Å; F49-I81 HydrophobicContact CD1-CG2 4.12Å; F49-I81 HydrophobicContact CE1-CD1 4.08Å; F49-I81 HydrophobicContact CE1-CG1 4.32Å; F49-I81 HydrophobicContact CE1-CG2 4.02Å
50K97.9Very high95.9Very high62 Ų6259.7 Ų59.727%0.2731%0.306SS..EExtended strand (participates in β ladder)trans-102.996.5174.3-60.4-178.1-163.6162.60110P58 L79 Q80 E82K50-P58 CarbonylContact C-O 3.4Å; K50-P58 VanDerWaalsContact CA-O 3.28Å; K50-P58 WeakPolarHBondContact CA-O 3.41Å; K50-L79 VanDerWaalsContact O-CD1 3.3Å; K50-L79 WeakPolarHBondContact O-CD1 3.43Å; K50-Q80 HydrophobicContact CB-CB 4.21Å; K50-Q80 HydrophobicContact CD-CB 4.4Å; K50-Q80 HydrophobicContact CD-CG 4.43Å; K50-Q80 PolarHBondContact N-O 3.44Å; K50-Q80 VanDerWaalsContact NZ-CD 3.3Å; K50-Q80 VanDerWaalsContact NZ-NE2 3.12Å; K50-E82 WeakPolarHBondContact CE-OE1 3.46Å; K50-E82 WeakPolarHBondContact CE-OE2 3.39Å; K50-E82 IonicContact NZ-OE1 2.72Å; K50-E82 PolarHBondContact NZ-OE1 2.98Å; K50-E82 IonicContact NZ-OE2 3.74Å
51L97.7Very high96.1Very high8 Ų862 Ų624%0.04232%0.32CS..  trans-69.5167.7174.7-45.7-171.9000111.1W27 F55 P58 Q60 I69 E71 F77 L79W27-L51 HydrophobicContact CH2-CD1 4.43Å; W27-L51 HydrophobicContact CH2-CD2 3.83Å; L51-F55 HydrophobicContact CB-CB 4.12Å; L51-F55 HydrophobicContact CB-CD2 3.8Å; L51-F55 HydrophobicContact CB-CE2 4.49Å; L51-F55 HydrophobicContact CB-CG 4.04Å; L51-F55 HydrophobicContact CD1-CB 3.83Å; L51-F55 HydrophobicContact CD1-CD1 3.81Å; L51-F55 HydrophobicContact CD1-CD2 4.16Å; L51-F55 HydrophobicContact CD1-CE1 4.44Å; L51-F55 HydrophobicContact CD1-CG 3.66Å; L51-P58 PolarHBondContact N-O 3.43Å; L51-Q60 HydrophobicContact CD1-CG 4.34Å; L51-I69 HydrophobicContact CD2-CD1 3.59Å; L51-E71 HydrophobicContact CD1-CG 4.08Å; L51-F77 HydrophobicContact CD2-CZ 4.27Å; L51-L79 HydrophobicContact CD2-CD1 3.78Å
52H96.3Very high96.3Very high96 Ų9659.3 Ų59.344%0.44430%0.3SS..  trans-58.3148.4169.2-170.8-109.6000112.1T54 F55 F77H52-T54 WeakPolarHBondContact ND1-CG2 3.28Å; H52-T54 PolarHBondContact ND1-OG1 2.92Å; H52-T54 PolarHBondContact O-N 3.42Å; H52-F55 HydrophobicContact CB-CD2 4.27Å; H52-F55 HydrophobicContact CB-CE2 4.39Å; H52-F55 WeakPolarHBondContact O-CD2 3.16Å; H52-F55 PolarHBondContact O-N 2.87Å; H52-F55 VanDerWaalsContact O-N 3.08Å; H52-F77 HydrophobicContact CB-CD2 4.18Å; H52-F77 HydrophobicContact CB-CG 4.28Å
53N94.9Very high96.6Very high147 Ų14765.4 Ų65.479%0.78631%0.309SS*.THydrogen-bonded Turntrans-63.7-3.9-174.4-66.2-10.3000115.1
54T94.4Very high96.7Very high82 Ų8271.4 Ų71.450%0.50334%0.338SS..THydrogen-bonded Turntrans-85.6-4.6174.253.50000114.2H52H52-T54 WeakPolarHBondContact ND1-CG2 3.28Å; H52-T54 PolarHBondContact ND1-OG1 2.92Å; H52-T54 PolarHBondContact O-N 3.42Å
55F96Very high96.5Very high22 Ų2273.8 Ų73.810%0.09636%0.358CS..SBendtrans-88.1140.5173.5-72.7-93.5000110.5W27 L51 H52 N57 P58 E71 F77W27-F55 AromaticContact CZ2-CE1 3.98Å; W27-F55 HydrophobicContact CZ2-CE1 3.98Å; W27-F55 AromaticContact CZ2-CZ 3.75Å; W27-F55 HydrophobicContact CZ2-CZ 3.75Å; L51-F55 HydrophobicContact CB-CB 4.12Å; L51-F55 HydrophobicContact CB-CD2 3.8Å; L51-F55 HydrophobicContact CB-CE2 4.49Å; L51-F55 HydrophobicContact CB-CG 4.04Å; L51-F55 HydrophobicContact CD1-CB 3.83Å; L51-F55 HydrophobicContact CD1-CD1 3.81Å; L51-F55 HydrophobicContact CD1-CD2 4.16Å; L51-F55 HydrophobicContact CD1-CE1 4.44Å; L51-F55 HydrophobicContact CD1-CG 3.66Å; H52-F55 HydrophobicContact CB-CD2 4.27Å; H52-F55 HydrophobicContact CB-CE2 4.39Å; H52-F55 WeakPolarHBondContact O-CD2 3.16Å; H52-F55 PolarHBondContact O-N 2.87Å; H52-F55 VanDerWaalsContact O-N 3.08Å; F55-N57 VanDerWaalsContact C-N 3.27Å; F55-N57 PolarHBondContact O-N 2.91Å; F55-P58 WeakPolarHBondContact O-CD 3.47Å; F55-E71 HydrophobicContact CD1-CG 4.34Å; F55-E71 HydrophobicContact CE1-CB 4.17Å; F55-E71 HydrophobicContact CE1-CG 4.24Å; F55-F77 HydrophobicContact CE2-CE1 4.13Å; F55-F77 HydrophobicContact CE2-CZ 4.37Å; F55-F77 HydrophobicContact CZ-CE1 4.47Å
56E93.2Very high96.5Very high172 Ų17272.4 Ų72.480%0.80436%0.361SS*.SBendtrans-61.8-33.9-174.3-68158.7-131.300112.8R23R23-E56 IonicContact NH1-OE1 3.74Å; R23-E56 IonicContact NH2-OE1 2.67Å; R23-E56 PolarHBondContact NH2-OE1 2.92Å; R23-E56 VanDerWaalsContact NH2-OE1 3.15Å
57N93.8Very high96.6Very high88 Ų8868.8 Ų68.847%0.47135%0.346SS..SBendtrans-122.493.6164.6178.514.4000108.8F55 R59 Q60F55-N57 VanDerWaalsContact C-N 3.27Å; F55-N57 PolarHBondContact O-N 2.91Å; N57-R59 VanDerWaalsContact C-N 3.26Å; N57-R59 PolarHBondContact O-N 3.23Å; N57-R59 PolarHBondContact OD1-N 3.27Å; N57-R59 PolarHBondContact OD1-O 3.36Å; N57-Q60 WeakPolarHBondContact O-CG 3.26Å; N57-Q60 PolarHBondContact O-NE2 3.33Å
58P97Very high96.5Very high45 Ų4569.7 Ų69.729%0.29235%0.353SS..  trans-77-12.3-17731.3-33.4000112.5K50 L51 F55K50-P58 CarbonylContact C-O 3.4Å; K50-P58 VanDerWaalsContact CA-O 3.28Å; K50-P58 WeakPolarHBondContact CA-O 3.41Å; L51-P58 PolarHBondContact N-O 3.43Å; F55-P58 WeakPolarHBondContact O-CD 3.47Å
59R97.8Very high96.5Very high135 Ų13570 Ų7051%0.50936%0.355SS..EExtended strand (participates in β ladder)trans-118.285.5-179.2-173.6177.3167.1-87.71.5111.2T48 N57T48-R59 HydrophobicContact CG2-CG 3.72Å; N57-R59 VanDerWaalsContact C-N 3.26Å; N57-R59 PolarHBondContact O-N 3.23Å; N57-R59 PolarHBondContact OD1-N 3.27Å; N57-R59 PolarHBondContact OD1-O 3.36Å
60Q98Very high96.4Very high30 Ų3075 Ų7514%0.1438%0.378CS..EExtended strand (participates in β ladder)trans-90.8123-177.4-53.7-165.32.100110.2T48 F49 L51 N57 I69 E71T48-Q60 CarbonylContact C-O 3.57Å; T48-Q60 WeakPolarHBondContact CA-O 3.48Å; F49-Q60 PolarHBondContact N-O 2.89Å; F49-Q60 PolarHBondContact O-N 3.43Å; L51-Q60 HydrophobicContact CD1-CG 4.34Å; N57-Q60 WeakPolarHBondContact O-CG 3.26Å; N57-Q60 PolarHBondContact O-NE2 3.33Å; Q60-I69 HydrophobicContact CB-CG2 4.03Å; Q60-E71 PolarHBondContact NE2-OE1 2.85Å
61V98Very high96.4Very high53 Ų5374.2 Ų74.232%0.32138%0.375SS..EExtended strand (participates in β ladder)trans-113.9114.5-176.9-176.60000109.6K46 T48 R63K46-V61 HydrophobicContact CB-CG1 4.29Å; K46-V61 HydrophobicContact CD-CG1 4.27Å; T48-V61 HydrophobicContact CG2-CG2 3.85Å; V61-R63 HydrophobicContact CG1-CG 4.38Å
62V98Very high96.2Very high15 Ų1575.6 Ų75.69%0.09138%0.383CS..EExtended strand (participates in β ladder)trans-103.9119.9179-173.40000108.9K46 V47 F49 Q64 F67 I69K46-V62 CarbonylContact C-O 3.55Å; K46-V62 WeakPolarHBondContact CA-O 3.18Å; V47-V62 PolarHBondContact N-O 3.48Å; V47-V62 PolarHBondContact O-N 3.45Å; F49-V62 HydrophobicContact CD2-CG2 4.14Å; F49-V62 HydrophobicContact CE2-CB 4.41Å; F49-V62 HydrophobicContact CE2-CG2 3.89Å; V62-Q64 VanDerWaalsContact CG1-O 3.29Å; V62-Q64 WeakPolarHBondContact CG1-O 3.33Å; V62-F67 HydrophobicContact CB-CD1 4.38Å; V62-F67 HydrophobicContact CG1-CD1 4.06Å; V62-I69 HydrophobicContact CG2-CG2 3.93Å
63R97.3Very high96.2Very high192 Ų19271.1 Ų71.173%0.72536%0.362SS*.  trans-101.9-11.1-174.1-63.3-168.5-175.2-159.65.4114.9K46 V61K46-R63 HydrophobicContact CB-CG 4.39Å; V61-R63 HydrophobicContact CG1-CG 4.38Å
64Q95.2Very high96.1Very high142 Ų14271 Ų7166%0.66436%0.355SS*.SBendtrans-138.3155.4-177.4-70.7179-19.300109.2V62V62-Q64 VanDerWaalsContact CG1-O 3.29Å; V62-Q64 WeakPolarHBondContact CG1-O 3.33Å
65A93.9Very high96Very high56 Ų5668.6 Ų68.646%0.46335%0.346SS..SBendtrans-68.4146.9175.300000111.2F67A65-F67 HydrophobicContact CB-CD2 4.33Å; A65-F67 HydrophobicContact CB-CE2 4.21Å
66P95.7Very high95.9Very high92 Ų9271 Ų7160%0.59736%0.363SS*.SBendcis-72.6132.8-1.230.2-34.6000112A68P66-A68 HydrophobicContact CB-CB 4.47Å; P66-A68 PolarHBondContact O-N 2.93Å
67F97.7Very high96Very high6 Ų664 Ų643%0.02633%0.33CS..  trans-76.872176.2-64.8-72.3000110.3Y30 V31 L40 V44 V47 F49 V62 A65Y30-F67 WeakPolarHBondContact CA-O 3.45Å; V31-F67 PolarHBondContact N-O 3.15Å; L40-F67 HydrophobicContact CB-CD2 3.88Å; L40-F67 HydrophobicContact CB-CE2 3.74Å; L40-F67 HydrophobicContact CD1-CD2 4.23Å; V44-F67 HydrophobicContact CB-CE2 3.95Å; V44-F67 HydrophobicContact CB-CZ 3.93Å; V44-F67 HydrophobicContact CG1-CE1 4.09Å; V44-F67 HydrophobicContact CG1-CE2 4.08Å; V44-F67 HydrophobicContact CG1-CZ 3.83Å; V44-F67 WeakPolarHBondContact O-CZ 3.35Å; V47-F67 HydrophobicContact CB-CB 4.32Å; V47-F67 HydrophobicContact CB-CD1 4.14Å; V47-F67 HydrophobicContact CG2-CB 3.83Å; V47-F67 HydrophobicContact CG2-CD1 3.7Å; V47-F67 HydrophobicContact CG2-CE1 4.41Å; V47-F67 HydrophobicContact CG2-CG 3.81Å; F49-F67 WeakPolarHBondContact CZ-O 3.45Å; V62-F67 HydrophobicContact CB-CD1 4.38Å; V62-F67 HydrophobicContact CG1-CD1 4.06Å; A65-F67 HydrophobicContact CB-CD2 4.33Å; A65-F67 HydrophobicContact CB-CE2 4.21Å
68A97.7Very high96.1Very high19 Ų1966.4 Ų66.416%0.15734%0.338CS..EExtended strand (participates in β ladder)trans-142157.8-173.200000112.1C29 P66C29-A68 CarbonylContact O-C 3.4Å; C29-A68 WeakPolarHBondContact O-CA 3.34Å; C29-A68 WeakPolarHBondContact O-CB 3.36Å; P66-A68 HydrophobicContact CB-CB 4.47Å; P66-A68 PolarHBondContact O-N 2.93Å
69I97.7Very high96.1Very high9 Ų964.2 Ų64.25%0.04632%0.324CS..EExtended strand (participates in β ladder)trans-132.4148.517550.5158.4000109.7W27 R28 C29 F49 L51 Q60 V62W27-I69 HydrophobicContact CH2-CD1 4.08Å; W27-I69 HydrophobicContact CZ3-CD1 3.83Å; W27-I69 HydrophobicContact CZ3-CG1 4.3Å; R28-I69 CarbonylContact C-O 3.34Å; R28-I69 VanDerWaalsContact CA-O 3.28Å; R28-I69 WeakPolarHBondContact CA-O 3.3Å; C29-I69 HydrophobicContact CB-CD1 4.42Å; C29-I69 HydrophobicContact CB-CG1 4.1Å; C29-I69 PolarHBondContact N-O 2.9Å; C29-I69 PolarHBondContact O-N 2.92Å; F49-I69 HydrophobicContact CB-CD1 3.63Å; F49-I69 HydrophobicContact CB-CG1 4.37Å; F49-I69 HydrophobicContact CD1-CD1 3.92Å; F49-I69 HydrophobicContact CD1-CG1 4.02Å; F49-I69 HydrophobicContact CD2-CB 4.49Å; F49-I69 HydrophobicContact CD2-CD1 4.28Å; F49-I69 HydrophobicContact CD2-CG1 4.09Å; F49-I69 HydrophobicContact CD2-CG2 3.6Å; F49-I69 HydrophobicContact CE1-CG1 4.31Å; F49-I69 HydrophobicContact CE2-CG1 4.38Å; F49-I69 HydrophobicContact CE2-CG2 3.99Å; F49-I69 HydrophobicContact CG-CD1 3.7Å; F49-I69 HydrophobicContact CG-CG1 3.91Å; F49-I69 HydrophobicContact CG-CG2 4.16Å; F49-I69 HydrophobicContact CZ-CG1 4.48Å; L51-I69 HydrophobicContact CD2-CD1 3.59Å; Q60-I69 HydrophobicContact CB-CG2 4.03Å; V62-I69 HydrophobicContact CG2-CG2 3.93Å
70E96.8Very high96.1Very high104 Ų10459.8 Ų59.849%0.48631%0.309SS..EExtended strand (participates in β ladder)trans-133126.7-178.7-70-174.9172.500109.9W27 R28W27-E70 WeakPolarHBondContact O-CA 3.36Å; R28-E70 HydrophobicContact CB-CG 3.86Å; R28-E70 VanDerWaalsContact CD-OE1 3.29Å; R28-E70 WeakPolarHBondContact CD-OE1 3.21Å; R28-E70 HydrophobicContact CG-CG 3.71Å; R28-E70 IonicContact CZ-OE1 2.8Å; R28-E70 IonicContact NE-OE1 3.44Å; R28-E70 IonicContact NH1-OE1 3.15Å; R28-E70 PolarHBondContact NH1-OE1 3.35Å
71E96.7Very high96.1Very high46 Ų4658.3 Ų58.322%0.21530%0.302CS..EExtended strand (participates in β ladder)trans-147.6165.3-166.8-88.1-67.4176.500112H26 W27 L51 F55 Q60H26-E71 WeakPolarHBondContact CA-O 3.24Å; H26-E71 PolarHBondContact ND1-O 3.25Å; W27-E71 HydrophobicContact CD2-CB 4.04Å; W27-E71 HydrophobicContact CE3-CB 4.2Å; W27-E71 HydrophobicContact CH2-CB 3.53Å; W27-E71 HydrophobicContact CH2-CG 3.89Å; W27-E71 HydrophobicContact CZ2-CB 3.32Å; W27-E71 HydrophobicContact CZ2-CG 4.01Å; W27-E71 HydrophobicContact CZ3-CB 3.96Å; W27-E71 HydrophobicContact CZ3-CG 4.47Å; W27-E71 PolarHBondContact N-O 3.3Å; W27-E71 PolarHBondContact O-N 2.9Å; L51-E71 HydrophobicContact CD1-CG 4.08Å; F55-E71 HydrophobicContact CD1-CG 4.34Å; F55-E71 HydrophobicContact CE1-CB 4.17Å; F55-E71 HydrophobicContact CE1-CG 4.24Å; Q60-E71 PolarHBondContact NE2-OE1 2.85Å
72D95.2Very high96.1Very high37 Ų3757.9 Ų57.920%0.19830%0.297CS..EExtended strand (participates in β ladder)trans-112.2122.1173.7-82.4-12.7000110.5K16 R23 H25 H26K16-D72 IonicContact NZ-OD1 2.6Å; K16-D72 PolarHBondContact NZ-OD1 3.1Å; K16-D72 IonicContact NZ-OD2 3.27Å; K16-D72 PolarHBondContact NZ-OD2 3.45Å; R23-D72 HydrophobicContact CB-CB 3.94Å; R23-D72 VanDerWaalsContact CD-O 3.29Å; R23-D72 WeakPolarHBondContact CD-O 3.33Å; R23-D72 HydrophobicContact CG-CB 4.25Å; R23-D72 PolarHBondContact NE-O 3.05Å; H25-D72 WeakPolarHBondContact O-CA 3.48Å; H26-D72 WeakPolarHBondContact CB-OD1 3.5Å; H26-D72 IonicContact CG-OD1 3.68Å; H26-D72 IonicContact ND1-OD1 3.11Å; H26-D72 PolarHBondContact ND1-OD1 3.2Å
73G94.3Very high96.1Very high2 Ų257.2 Ų57.22%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-131.4174.1-175.200000114.8R23 T24 H25R23-G73 CarbonylContact C-O 3.6Å; T24-G73 PolarHBondContact N-O 3.1Å; H25-G73 PolarHBondContact N-O 3.36Å; H25-G73 PolarHBondContact O-N 3.18Å
74F93.6Very high96.1Very high144 Ų14448.4 Ų48.463%0.63226%0.261SS*.SBendtrans-130.9-19.1176.364.3-95.6000114.6T24T24-F74 WeakPolarHBondContact OG1-CA 3.19Å
75G91.7Very high96.1Very high31 Ų3141.6 Ų41.632%0.3223%0.229SC..SBendtrans-133.4155.2-178.900000113.3L98G75-L98 WeakPolarHBondContact O-CD1 3.5Å
76T94.1Very high95.9Very high72 Ų7240.3 Ų40.344%0.44222%0.215SC..  trans-72.2141.9171-67.10000110.5D95 L96 T97 L98T76-D95 WeakPolarHBondContact CG2-OD1 3.32Å; T76-L96 VanDerWaalsContact CA-O 3.24Å; T76-L96 WeakPolarHBondContact CA-O 3.46Å; T76-L96 WeakPolarHBondContact CG2-O 3.16Å; T76-T97 HydrophobicContact CG2-CG2 3.88Å; T76-T97 WeakPolarHBondContact OG1-CA 3.38Å; T76-L98 PolarHBondContact OG1-N 3.19Å
77F96Very high95.5Very high27 Ų2743.1 Ų43.112%0.11823%0.225CC..EExtended strand (participates in β ladder)trans-152.8158.1175.267.2-82.8000112.8W27 L51 H52 F55 L79 L96W27-F77 HydrophobicContact CH2-CZ 4.24Å; W27-F77 HydrophobicContact CZ2-CE1 4.09Å; W27-F77 HydrophobicContact CZ2-CZ 4.12Å; L51-F77 HydrophobicContact CD2-CZ 4.27Å; H52-F77 HydrophobicContact CB-CD2 4.18Å; H52-F77 HydrophobicContact CB-CG 4.28Å; F55-F77 HydrophobicContact CE2-CE1 4.13Å; F55-F77 HydrophobicContact CE2-CZ 4.37Å; F55-F77 HydrophobicContact CZ-CE1 4.47Å; F77-L79 HydrophobicContact CD2-CB 4.42Å; F77-L79 HydrophobicContact CE2-CB 3.93Å; F77-L79 HydrophobicContact CE2-CD1 4.11Å; F77-L79 PolarHBondContact O-N 2.99Å; F77-L96 HydrophobicContact CE1-CD1 4.32Å; F77-L96 HydrophobicContact CE1-CD2 4.11Å; F77-L96 HydrophobicContact CZ-CD1 4.14Å; F77-L96 PolarHBondContact N-O 3.22Å; F77-L96 PolarHBondContact O-N 3.43Å
78Q96Very high95.2Very high137 Ų13744.6 Ų44.664%0.6424%0.235SC*.EExtended strand (participates in β ladder)trans-78.8115.2170.8-171.6-178.975.500109.7Y93 Y94Q78-Y93 HydrophobicContact CG-CD1 4.34Å; Q78-Y94 CarbonylContact C-O 3.57Å; Q78-Y94 WeakPolarHBondContact CA-O 3.5Å
79L96.7Very high95.1Very high0 Ų048.4 Ų48.40%026%0.256CS..EExtended strand (participates in β ladder)trans-92.2123.9178.3173.759.5000109.6C29 F49 K50 L51 F77 I81 Y94 L96C29-L79 HydrophobicContact CB-CD2 4.03Å; C29-L79 WeakPolarHBondContact SG-CD2 3.43Å; F49-L79 HydrophobicContact CB-CD1 4.31Å; F49-L79 HydrophobicContact CD1-CD2 4.27Å; K50-L79 VanDerWaalsContact O-CD1 3.3Å; K50-L79 WeakPolarHBondContact O-CD1 3.43Å; L51-L79 HydrophobicContact CD2-CD1 3.78Å; F77-L79 HydrophobicContact CD2-CB 4.42Å; F77-L79 HydrophobicContact CE2-CB 3.93Å; F77-L79 HydrophobicContact CE2-CD1 4.11Å; F77-L79 PolarHBondContact O-N 2.99Å; L79-I81 HydrophobicContact CD2-CD1 4.02Å; L79-I81 HydrophobicContact CD2-CG1 4.13Å; L79-I81 HydrophobicContact CG-CD1 4.17Å; L79-I81 HydrophobicContact CG-CG1 3.78Å; L79-Y94 PolarHBondContact N-O 2.94Å; L79-Y94 PolarHBondContact O-N 3.25Å; L79-L96 HydrophobicContact CD2-CD1 3.88Å
80Q97.9Very high95.1Very high41 Ų4150 Ų5019%0.19227%0.266CS..EExtended strand (participates in β ladder)trans-88.2129.8169.3-174.4-173.82.700109.4K50 T91 Y93K50-Q80 HydrophobicContact CB-CB 4.21Å; K50-Q80 HydrophobicContact CD-CB 4.4Å; K50-Q80 HydrophobicContact CD-CG 4.43Å; K50-Q80 PolarHBondContact N-O 3.44Å; K50-Q80 VanDerWaalsContact NZ-CD 3.3Å; K50-Q80 VanDerWaalsContact NZ-NE2 3.12Å; Q80-T91 HydrophobicContact CG-CG2 3.47Å; Q80-T91 VanDerWaalsContact CG-CG2 3.47Å; Q80-T91 VanDerWaalsContact NE2-CG2 3.31Å; Q80-Y93 HydrophobicContact CB-CD1 4.1Å; Q80-Y93 HydrophobicContact CB-CE1 3.9Å; Q80-Y93 HydrophobicContact CG-CD1 4.21Å; Q80-Y93 HydrophobicContact CG-CE1 3.72Å
81I98.3Very high95.1Very high0 Ų047.6 Ų47.60%026%0.259CS..EExtended strand (participates in β ladder)trans-125.3112.9-177.3-52.4178.9000108.6V9 V31 V47 T48 F49 L79 V83 T91 F92 Y94V9-I81 HydrophobicContact CG1-CD1 3.62Å; V31-I81 HydrophobicContact CG2-CG2 3.71Å; V47-I81 HydrophobicContact CG1-CG2 3.54Å; T48-I81 CarbonylContact O-C 3.44Å; T48-I81 WeakPolarHBondContact O-CA 3.43Å; F49-I81 HydrophobicContact CD1-CD1 4.14Å; F49-I81 HydrophobicContact CD1-CG1 3.96Å; F49-I81 HydrophobicContact CD1-CG2 4.12Å; F49-I81 HydrophobicContact CE1-CD1 4.08Å; F49-I81 HydrophobicContact CE1-CG1 4.32Å; F49-I81 HydrophobicContact CE1-CG2 4.02Å; L79-I81 HydrophobicContact CD2-CD1 4.02Å; L79-I81 HydrophobicContact CD2-CG1 4.13Å; L79-I81 HydrophobicContact CG-CD1 4.17Å; L79-I81 HydrophobicContact CG-CG1 3.78Å; I81-V83 HydrophobicContact CG2-CG2 4.34Å; I81-T91 WeakPolarHBondContact O-CA 3.4Å; I81-F92 PolarHBondContact N-O 3.12Å; I81-F92 PolarHBondContact O-N 3.31Å; I81-Y94 HydrophobicContact CD1-CD1 4.43Å; I81-Y94 HydrophobicContact CD1-CG 4.49Å
82E98.1Very high95.1Very high44 Ų4446 Ų4621%0.20625%0.251CS..EExtended strand (participates in β ladder)trans-97.2112.5176.4-51.5173.9141.900109.3V47 T48 K50 T90V47-E82 CarbonylContact C-O 3.56Å; V47-E82 WeakPolarHBondContact CA-O 3.34Å; T48-E82 PolarHBondContact N-O 3.06Å; T48-E82 PolarHBondContact O-N 3.36Å; K50-E82 WeakPolarHBondContact CE-OE1 3.46Å; K50-E82 WeakPolarHBondContact CE-OE2 3.39Å; K50-E82 IonicContact NZ-OE1 2.72Å; K50-E82 PolarHBondContact NZ-OE1 2.98Å; K50-E82 IonicContact NZ-OE2 3.74Å; E82-T90 WeakPolarHBondContact CA-O 3.38Å
83V97.9Very high95.1Very high0 Ų049.8 Ų49.80%026%0.264CS..EExtended strand (participates in β ladder)trans-96.6118.5174.5-176.40000108.1F7 V31 V44 V47 I81 F85 V89 T90 F92F7-V83 HydrophobicContact CE1-CG1 4.11Å; V31-V83 HydrophobicContact CG1-CG2 4.26Å; V44-V83 HydrophobicContact CG1-CG1 4Å; V44-V83 HydrophobicContact CG2-CG1 4.31Å; V47-V83 HydrophobicContact CG1-CG2 4.42Å; V47-V83 HydrophobicContact CG2-CG1 4.41Å; V47-V83 HydrophobicContact CG2-CG2 4.31Å; I81-V83 HydrophobicContact CG2-CG2 4.34Å; V83-F85 HydrophobicContact CG1-CB 4.21Å; V83-F85 HydrophobicContact CG1-CD1 4.01Å; V83-F85 HydrophobicContact CG1-CG 4.4Å; V83-V89 WeakPolarHBondContact O-CA 3.38Å; V83-T90 PolarHBondContact N-O 3.13Å; V83-T90 PolarHBondContact O-N 3.13Å; V83-F92 HydrophobicContact CG2-CD2 4Å; V83-F92 HydrophobicContact CG2-CE2 3.8Å
84A96.9Very high95.2Very high7 Ų750.3 Ų50.36%0.05827%0.265CS..EExtended strand (participates in β ladder)trans-103.9113.5171.600000108.6V44 K45 K46 V89V44-A84 CarbonylContact C-O 3.52Å; K45-A84 PolarHBondContact N-O 3.04Å; K46-A84 HydrophobicContact CD-CB 4.42Å; K46-A84 HydrophobicContact CG-CB 3.69Å; K46-A84 PolarHBondContact N-O 2.89Å; K46-A84 PolarHBondContact O-N 2.88Å; A84-V89 HydrophobicContact CB-CG1 4.35Å; A84-V89 HydrophobicContact CB-CG2 3.87Å
85F94.7Very high95.3Very high0 Ų046.6 Ų46.60%025%0.252CS..EExtended strand (participates in β ladder)trans-146.1144-17074-73.1000109.6F5 F7 F43 V44 V83 D87 C88 I110 M112F5-F85 HydrophobicContact CD2-CE2 4.34Å; F5-F85 HydrophobicContact CG-CE2 4.47Å; F7-F85 HydrophobicContact CZ-CD1 4.36Å; F7-F85 AromaticContact CZ-CD2 3.99Å; F7-F85 HydrophobicContact CZ-CD2 3.99Å; F7-F85 HydrophobicContact CZ-CE2 4.14Å; F7-F85 HydrophobicContact CZ-CG 4.11Å; F7-F85 HydrophobicContact CZ-CZ 4.42Å; F43-F85 HydrophobicContact CD2-CB 4.1Å; F43-F85 HydrophobicContact CD2-CD2 4.01Å; F43-F85 HydrophobicContact CE2-CD2 4.19Å; F43-F85 CarbonylContact O-C 3.35Å; F43-F85 VanDerWaalsContact O-CA 3.29Å; F43-F85 WeakPolarHBondContact O-CA 3.27Å; V44-F85 HydrophobicContact CB-CB 4.32Å; V44-F85 HydrophobicContact CG2-CB 3.85Å; V83-F85 HydrophobicContact CG1-CB 4.21Å; V83-F85 HydrophobicContact CG1-CD1 4.01Å; V83-F85 HydrophobicContact CG1-CG 4.4Å; F85-D87 PolarHBondContact O-N 2.95Å; F85-C88 HydrophobicContact CE1-CB 4.42Å; F85-C88 WeakPolarHBondContact CZ-SG 3.33Å; F85-C88 PolarHBondContact N-O 2.98Å; F85-C88 PolarHBondContact O-N 2.97Å; F85-C88 PolarHBondContact O-SG 3.03Å; F85-I110 HydrophobicContact CD1-CD1 4.41Å; F85-I110 HydrophobicContact CE1-CD1 3.37Å; F85-I110 HydrophobicContact CE2-CD1 4.45Å; F85-I110 HydrophobicContact CZ-CB 4.25Å; F85-I110 HydrophobicContact CZ-CD1 3.4Å; F85-I110 VanDerWaalsContact CZ-CD1 3.4Å; F85-I110 HydrophobicContact CZ-CG1 4.41Å; F85-I110 HydrophobicContact CZ-CG2 4.05Å; F85-M112 HydrophobicContact CE2-SD 4.08Å
86L90.7Very high95.4Very high29 Ų2945.1 Ų45.115%0.15224%0.237CC..THydrogen-bonded Turntrans48.5-132.3-166.7-56.1165.2000108.4F5 F43 K45 M112 L122 L125F5-L86 HydrophobicContact CE2-CD1 3.86Å; F5-L86 HydrophobicContact CZ-CD1 4.04Å; F43-L86 HydrophobicContact CB-CD2 3.98Å; F43-L86 HydrophobicContact CB-CG 4.39Å; F43-L86 PolarHBondContact O-N 3.03Å; K45-L86 WeakPolarHBondContact CD-O 3.41Å; K45-L86 WeakPolarHBondContact CE-O 3.15Å; K45-L86 PolarHBondContact NZ-O 3.38Å; L86-M112 HydrophobicContact CD1-CE 3.91Å; L86-M112 HydrophobicContact CD1-SD 3.91Å; L86-L122 HydrophobicContact CD1-CD2 3.44Å; L86-L122 VanDerWaalsContact CD1-CD2 3.44Å; L86-L122 HydrophobicContact CD2-CD2 3.75Å; L86-L122 HydrophobicContact CG-CD2 4.25Å; L86-L125 HydrophobicContact CD2-CD1 4.11Å
87D87.6Confident95.4Very high151 Ų15142 Ų4281%0.80722%0.218SC*.THydrogen-bonded Turntrans-104.517.9175.6-60.9-57.1000113.6K45 F85K45-D87 IonicContact NZ-OD1 2.69Å; K45-D87 PolarHBondContact NZ-OD1 3.04Å; F85-D87 PolarHBondContact O-N 2.95Å
88C91.3Very high95.1Very high37 Ų3741.5 Ų41.525%0.2522%0.216CC..EExtended strand (participates in β ladder)trans-113.2160.2176.339.70000113.1F85F85-C88 HydrophobicContact CE1-CB 4.42Å; F85-C88 WeakPolarHBondContact CZ-SG 3.33Å; F85-C88 PolarHBondContact N-O 2.98Å; F85-C88 PolarHBondContact O-N 2.97Å; F85-C88 PolarHBondContact O-SG 3.03Å
89V95.6Very high94.4Very high99 Ų9939.9 Ų39.960%0.621%0.207SC*.EExtended strand (participates in β ladder)trans-132.4129.3172.7-174.10000108.4V83 A84V83-V89 WeakPolarHBondContact O-CA 3.38Å; A84-V89 HydrophobicContact CB-CG1 4.35Å; A84-V89 HydrophobicContact CB-CG2 3.87Å
90T96.1Very high93.1Very high41 Ų4144.4 Ų44.425%0.25223%0.231SC..EExtended strand (participates in β ladder)trans-131.9141.8-177.9-54.90000110.6E82 V83 F92 I110E82-T90 WeakPolarHBondContact CA-O 3.38Å; V83-T90 PolarHBondContact N-O 3.13Å; V83-T90 PolarHBondContact O-N 3.13Å; T90-F92 HydrophobicContact CG2-CD1 4.36Å; T90-F92 HydrophobicContact CG2-CE1 3.88Å; T90-I110 HydrophobicContact CG2-CD1 3.66Å; T90-I110 HydrophobicContact CG2-CG1 4.15Å; T90-I110 WeakPolarHBondContact OG1-CD1 3.03Å
91T97.4Very high91.6Very high54 Ų5447.5 Ų47.533%0.33125%0.246SC..EExtended strand (participates in β ladder)trans-102129.2178.9-69.10000110.4Q80 I81 Y93Q80-T91 HydrophobicContact CG-CG2 3.47Å; Q80-T91 VanDerWaalsContact CG-CG2 3.47Å; Q80-T91 VanDerWaalsContact NE2-CG2 3.31Å; I81-T91 WeakPolarHBondContact O-CA 3.4Å; T91-Y93 HydrophobicContact CG2-CD2 4.23Å; T91-Y93 HydrophobicContact CG2-CE1 4.43Å; T91-Y93 HydrophobicContact CG2-CE2 3.73Å
92F96.4Very high89.9Confident13 Ų1354.7 Ų54.76%0.05728%0.284CS..EExtended strand (participates in β ladder)trans-109.4136.3165.9-53.9-39.2000110.1F7 V9 I81 V83 T90 R108 I110F7-F92 HydrophobicContact CB-CE2 4.08Å; F7-F92 HydrophobicContact CB-CZ 4.43Å; F7-F92 HydrophobicContact CD2-CE2 4.26Å; F7-F92 AromaticContact CD2-CZ 3.92Å; F7-F92 HydrophobicContact CD2-CZ 3.92Å; F7-F92 HydrophobicContact CE2-CZ 4.5Å; F7-F92 HydrophobicContact CG-CE2 4.15Å; F7-F92 HydrophobicContact CG-CZ 4.28Å; V9-F92 HydrophobicContact CG2-CD2 3.84Å; V9-F92 HydrophobicContact CG2-CE2 4.28Å; I81-F92 PolarHBondContact N-O 3.12Å; I81-F92 PolarHBondContact O-N 3.31Å; V83-F92 HydrophobicContact CG2-CD2 4Å; V83-F92 HydrophobicContact CG2-CE2 3.8Å; T90-F92 HydrophobicContact CG2-CD1 4.36Å; T90-F92 HydrophobicContact CG2-CE1 3.88Å; F92-R108 HydrophobicContact CB-CG 4.28Å; F92-R108 HydrophobicContact CD1-CB 3.84Å; F92-R108 HydrophobicContact CD1-CG 3.96Å; F92-R108 HydrophobicContact CD2-CB 4.03Å; F92-R108 HydrophobicContact CD2-CG 4.03Å; F92-R108 HydrophobicContact CE1-CB 3.62Å; F92-R108 HydrophobicContact CE1-CG 4.27Å; F92-R108 HydrophobicContact CE2-CB 3.8Å; F92-R108 HydrophobicContact CE2-CG 4.32Å; F92-R108 HydrophobicContact CG-CB 4.04Å; F92-R108 HydrophobicContact CG-CG 3.84Å; F92-R108 HydrophobicContact CZ-CB 3.58Å; F92-R108 HydrophobicContact CZ-CG 4.43Å; F92-I110 HydrophobicContact CE1-CD1 4.07Å; F92-I110 HydrophobicContact CE1-CG1 4.11Å; F92-I110 HydrophobicContact CZ-CD1 3.78Å; F92-I110 HydrophobicContact CZ-CG1 4.06Å
93Y96.7Very high89Confident117 Ų11755.4 Ų55.446%0.45930%0.297SS..EExtended strand (participates in β ladder)trans-97.5135.2165.4-63.7-83.1000109.4Q78 Q80 T91 R108Q78-Y93 HydrophobicContact CG-CD1 4.34Å; Q80-Y93 HydrophobicContact CB-CD1 4.1Å; Q80-Y93 HydrophobicContact CB-CE1 3.9Å; Q80-Y93 HydrophobicContact CG-CD1 4.21Å; Q80-Y93 HydrophobicContact CG-CE1 3.72Å; T91-Y93 HydrophobicContact CG2-CD2 4.23Å; T91-Y93 HydrophobicContact CG2-CE1 4.43Å; T91-Y93 HydrophobicContact CG2-CE2 3.73Å; Y93-R108 PolarHBondContact O-NH2 3.07Å
94Y96.1Very high88.7Confident13 Ų1358.1 Ų58.15%0.05131%0.311CS..EExtended strand (participates in β ladder)trans-138.9134.1-172.6-172.2-118.8000111.1V9 G10 H11 Q78 L79 I81 L104 T106V9-Y94 HydrophobicContact CB-CD2 4.42Å; V9-Y94 HydrophobicContact CG1-CD1 3.97Å; V9-Y94 HydrophobicContact CG1-CD2 3.71Å; V9-Y94 HydrophobicContact CG1-CE1 4.3Å; V9-Y94 HydrophobicContact CG1-CE2 4.09Å; V9-Y94 HydrophobicContact CG1-CG 3.67Å; G10-Y94 WeakPolarHBondContact CA-OH 3.37Å; H11-Y94 HydrophobicContact CB-CE1 4.09Å; H11-Y94 PolarHBondContact N-OH 3.18Å; H11-Y94 AromaticContact ND1-CE1 3.25Å; H11-Y94 WeakPolarHBondContact ND1-CE1 3.35Å; H11-Y94 AromaticContact ND1-CZ 3.35Å; H11-Y94 PolarHBondContact ND1-OH 3.25Å; Q78-Y94 CarbonylContact C-O 3.57Å; Q78-Y94 WeakPolarHBondContact CA-O 3.5Å; L79-Y94 PolarHBondContact N-O 2.94Å; L79-Y94 PolarHBondContact O-N 3.25Å; I81-Y94 HydrophobicContact CD1-CD1 4.43Å; I81-Y94 HydrophobicContact CD1-CG 4.49Å; Y94-L104 PolarHBondContact OH-O 2.94Å; Y94-L104 VanDerWaalsContact OH-O 3.09Å; Y94-T106 HydrophobicContact CD2-CG2 3.82Å; Y94-T106 HydrophobicContact CE2-CG2 3.72Å
95D94.2Very high88.5Confident66 Ų6661.8 Ų61.835%0.35333%0.327SS..EExtended strand (participates in β ladder)trans-91.2104.7-178.2-177.418000109.7H11 T76 T97 K391H11-D95 PolarHBondContact CE1-O 3Å; T76-D95 WeakPolarHBondContact CG2-OD1 3.32Å; D95-T97 PolarHBondContact O-N 2.92Å; D95-T97 WeakPolarHBondContact OD1-CG2 3.46Å; D95-T97 WeakPolarHBondContact OD2-CG2 3.45Å; D95-K391 IonicContact OD2-NZ 3.55Å; D95-K391 PolarHBondContact OD2-NZ 2.63Å
96L94.9Very high88.4Confident0 Ų063.8 Ų63.80%034%0.34CS..EExtended strand (participates in β ladder)trans-89.198.1-177.5-168.9155.6000108.9W27 C29 T76 F77 L79 L98W27-L96 HydrophobicContact CD2-CD1 4.06Å; W27-L96 HydrophobicContact CD2-CD2 4.05Å; W27-L96 HydrophobicContact CE3-CD1 3.64Å; W27-L96 HydrophobicContact CE3-CD2 4.44Å; W27-L96 HydrophobicContact CG-CD2 4.19Å; W27-L96 HydrophobicContact CH2-CD1 3.97Å; W27-L96 HydrophobicContact CZ2-CD1 4.35Å; W27-L96 HydrophobicContact CZ3-CD1 3.6Å; C29-L96 HydrophobicContact CB-CD1 4.07Å; T76-L96 VanDerWaalsContact CA-O 3.24Å; T76-L96 WeakPolarHBondContact CA-O 3.46Å; T76-L96 WeakPolarHBondContact CG2-O 3.16Å; F77-L96 HydrophobicContact CE1-CD1 4.32Å; F77-L96 HydrophobicContact CE1-CD2 4.11Å; F77-L96 HydrophobicContact CZ-CD1 4.14Å; F77-L96 PolarHBondContact N-O 3.22Å; F77-L96 PolarHBondContact O-N 3.43Å; L79-L96 HydrophobicContact CD2-CD1 3.88Å; L96-L98 HydrophobicContact CD2-CD2 3.7Å; L96-L98 HydrophobicContact CD2-CG 4.43Å
97T93.2Very high88.7Confident7 Ų763.2 Ų63.24%0.04334%0.335CS..  trans-103.7118.5-169.457.20000112.9H11 T76 D95 F99 L104H11-T97 PolarHBondContact CE1-N 3.34Å; H11-T97 PolarHBondContact NE2-N 2.97Å; H11-T97 VanDerWaalsContact NE2-N 3.1Å; H11-T97 PolarHBondContact NE2-O 3.06Å; H11-T97 VanDerWaalsContact NE2-O 3.11Å; H11-T97 PolarHBondContact NE2-OG1 2.8Å; T76-T97 HydrophobicContact CG2-CG2 3.88Å; T76-T97 WeakPolarHBondContact OG1-CA 3.38Å; D95-T97 PolarHBondContact O-N 2.92Å; D95-T97 WeakPolarHBondContact OD1-CG2 3.46Å; D95-T97 WeakPolarHBondContact OD2-CG2 3.45Å; T97-F99 HydrophobicContact CG2-CD2 4.5Å; T97-F99 HydrophobicContact CG2-CE2 4.31Å; T97-F99 PolarHBondContact O-N 3.25Å; T97-L104 WeakPolarHBondContact OG1-CD1 3.46Å
98L90.8Very high89.1Confident15 Ų1559.9 Ų59.98%0.07931%0.312CS..  trans-83.354.2-177.6-56.7-176.3000113.7V13 H25 W27 G75 T76 L96V13-L98 HydrophobicContact CG1-CD2 4.11Å; V13-L98 HydrophobicContact CG2-CD2 4.27Å; H25-L98 HydrophobicContact CB-CD1 4.22Å; H25-L98 HydrophobicContact CB-CD2 4.24Å; W27-L98 HydrophobicContact CB-CD2 4.1Å; W27-L98 HydrophobicContact CG-CD2 3.99Å; G75-L98 WeakPolarHBondContact O-CD1 3.5Å; T76-L98 PolarHBondContact OG1-N 3.19Å; L96-L98 HydrophobicContact CD2-CD2 3.7Å; L96-L98 HydrophobicContact CD2-CG 4.43Å
99F81.2Confident89.3Confident103 Ų10361 Ų6145%0.45232%0.317SS..SBendtrans-91.9155170.8-64.1-63.8000111.2T97 Q101T97-F99 HydrophobicContact CG2-CD2 4.5Å; T97-F99 HydrophobicContact CG2-CE2 4.31Å; T97-F99 PolarHBondContact O-N 3.25Å; F99-Q101 HydrophobicContact CB-CG 4.34Å; F99-Q101 PolarHBondContact O-N 2.96Å
100D69.3Low89.3Confident96 Ų9657.3 Ų57.351%0.51329%0.294SS..SBendtrans-71.858.1175.6-73.5-47.6000111.3R15R15-D100 WeakPolarHBondContact CB-OD1 3.21Å; R15-D100 VanDerWaalsContact CD-OD1 3.26Å; R15-D100 WeakPolarHBondContact CD-OD1 3.19Å; R15-D100 WeakPolarHBondContact CD-OD2 3.12Å; R15-D100 IonicContact CZ-OD2 3.56Å; R15-D100 IonicContact NH1-OD2 3.6Å; R15-D100 PolarHBondContact NH1-OD2 2.89Å
101Q65.4Low89.2Confident106 Ų10659.3 Ų59.350%0.49530%0.3SS..  trans-124.6126.2177.9-62.1-174.315.100109.9F99 A103F99-Q101 HydrophobicContact CB-CG 4.34Å; F99-Q101 PolarHBondContact O-N 2.96Å; Q101-A103 VanDerWaalsContact C-N 3.33Å; Q101-A103 PolarHBondContact O-N 3.08Å
102N63.4Low88.9Confident151 Ų15158.8 Ų58.881%0.80730%0.295SS*.SBendtrans-65.1-29.2-160.1-67.28.9000115.1S12S12-N102 WeakPolarHBondContact CB-O 3.32Å
103A79.3Confident88.8Confident58 Ų5862.4 Ų62.448%0.47932%0.315SS..  trans-158.8145.2167.600000110.3H11 Q101H11-A103 WeakPolarHBondContact O-CA 3.42Å; Q101-A103 VanDerWaalsContact C-N 3.33Å; Q101-A103 PolarHBondContact O-N 3.08Å
104L90.6Very high88.5Confident57 Ų5757.8 Ų57.830%0.29830%0.299SS..EExtended strand (participates in β ladder)trans-126.9142.2169.6-72174000108.9G10 H11 Y94 T97G10-L104 CarbonylContact C-O 3.56Å; G10-L104 WeakPolarHBondContact CA-O 2.97Å; H11-L104 PolarHBondContact N-O 3.25Å; H11-L104 PolarHBondContact O-N 3.22Å; H11-L104 VanDerWaalsContact O-O 3.1Å; Y94-L104 PolarHBondContact OH-O 2.94Å; Y94-L104 VanDerWaalsContact OH-O 3.09Å; T97-L104 WeakPolarHBondContact OG1-CD1 3.46Å
105H92.7Very high88.3Confident85 Ų8559.6 Ų59.639%0.39432%0.317SS..EExtended strand (participates in β ladder)trans-148.9159.3172.360.777.4000112.1K8 V9 Y107K8-H105 WeakPolarHBondContact CE-CD2 3.49Å; K8-H105 WeakPolarHBondContact CE-NE2 3.37Å; K8-H105 HydrophobicContact CG-CB 4.26Å; K8-H105 PolarHBondContact NZ-NE2 3.14Å; V9-H105 CarbonylContact O-C 3.58Å; V9-H105 VanDerWaalsContact O-CA 3.25Å; V9-H105 WeakPolarHBondContact O-CA 3.45Å; V9-H105 WeakPolarHBondContact O-CB 3.3Å; H105-Y107 AromaticContact CE1-CE2 3.9Å; H105-Y107 AromaticContact ND1-CE2 3.82Å
106T94Very high88.1Confident42 Ų4260 Ų6026%0.25832%0.323SS..EExtended strand (participates in β ladder)trans-133.7157.2171.3-163.20000108.5V9 Y94 R108V9-T106 HydrophobicContact CB-CG2 4.34Å; V9-T106 PolarHBondContact N-O 3.44Å; V9-T106 PolarHBondContact O-N 2.98Å; Y94-T106 HydrophobicContact CD2-CG2 3.82Å; Y94-T106 HydrophobicContact CE2-CG2 3.72Å; T106-R108 HydrophobicContact CG2-CG 4.42Å
107Y95.8Very high87.9Confident16 Ų1667.3 Ų67.36%0.06336%0.357CS..EExtended strand (participates in β ladder)trans-98.9142.5172.9-69.9-87.3000109.6V6 F7 K8 W34 H105 I146 Q147V6-Y107 HydrophobicContact CG1-CD1 3.92Å; V6-Y107 HydrophobicContact CG1-CG 4.48Å; F7-Y107 CarbonylContact O-C 3.43Å; F7-Y107 WeakPolarHBondContact O-CA 3.29Å; K8-Y107 HydrophobicContact CB-CD1 4.12Å; K8-Y107 HydrophobicContact CB-CE1 3.77Å; K8-Y107 HydrophobicContact CD-CE1 4.17Å; K8-Y107 HydrophobicContact CG-CE1 3.97Å; W34-Y107 HydrophobicContact CB-CE1 4.29Å; H105-Y107 AromaticContact CE1-CE2 3.9Å; H105-Y107 AromaticContact ND1-CE2 3.82Å; Y107-I146 HydrophobicContact CD1-CG2 4.16Å; Y107-I146 HydrophobicContact CE1-CG2 3.64Å; Y107-I146 HydrophobicContact CE2-CG2 4.32Å; Y107-Q147 HydrophobicContact CD2-CG 3.57Å; Y107-Q147 HydrophobicContact CE2-CG 3.56Å
108R96Very high87.9Confident82 Ų8269.7 Ų69.731%0.30937%0.37SS..EExtended strand (participates in β ladder)trans-126.5134.9177.8-64.6-61.9-170.9-134.912.1108.6F7 V9 F92 Y93 T106F7-R108 PolarHBondContact N-O 3.12Å; F7-R108 PolarHBondContact O-N 3.06Å; V9-R108 HydrophobicContact CB-CG 4.48Å; V9-R108 HydrophobicContact CG2-CB 4.36Å; V9-R108 HydrophobicContact CG2-CG 3.82Å; F92-R108 HydrophobicContact CB-CG 4.28Å; F92-R108 HydrophobicContact CD1-CB 3.84Å; F92-R108 HydrophobicContact CD1-CG 3.96Å; F92-R108 HydrophobicContact CD2-CB 4.03Å; F92-R108 HydrophobicContact CD2-CG 4.03Å; F92-R108 HydrophobicContact CE1-CB 3.62Å; F92-R108 HydrophobicContact CE1-CG 4.27Å; F92-R108 HydrophobicContact CE2-CB 3.8Å; F92-R108 HydrophobicContact CE2-CG 4.32Å; F92-R108 HydrophobicContact CG-CB 4.04Å; F92-R108 HydrophobicContact CG-CG 3.84Å; F92-R108 HydrophobicContact CZ-CB 3.58Å; F92-R108 HydrophobicContact CZ-CG 4.43Å; Y93-R108 PolarHBondContact O-NH2 3.07Å; T106-R108 HydrophobicContact CG2-CG 4.42Å
109T96.2Very high88Confident59 Ų5972.1 Ų72.136%0.36238%0.378SS..EExtended strand (participates in β ladder)trans-117141.1-170.6490000110.7L4 F5 V6 V139 V143L4-T109 HydrophobicContact CD1-CG2 4.38Å; F5-T109 CarbonylContact O-C 3.08Å; F5-T109 WeakPolarHBondContact O-CA 3.44Å; V6-T109 HydrophobicContact CG1-CG2 4.35Å; V6-T109 HydrophobicContact CG2-CG2 4.24Å; T109-V139 HydrophobicContact CG2-CG1 3.84Å; T109-V143 HydrophobicContact CG2-CG2 3.5Å; T109-V143 VanDerWaalsContact CG2-CG2 3.5Å
110I95.1Very high88.5Confident23 Ų2370.7 Ų70.712%0.11838%0.38CS..EExtended strand (participates in β ladder)trans-132.2120.9170.9-49.5175.5000108F5 F7 F85 T90 F92F5-I110 PolarHBondContact N-O 2.66Å; F5-I110 PolarHBondContact O-N 3.45Å; F7-I110 HydrophobicContact CD2-CD1 4.29Å; F7-I110 HydrophobicContact CD2-CG1 4.44Å; F7-I110 HydrophobicContact CE2-CD1 3.68Å; F7-I110 HydrophobicContact CE2-CG1 4.07Å; F7-I110 HydrophobicContact CZ-CD1 4.39Å; F85-I110 HydrophobicContact CD1-CD1 4.41Å; F85-I110 HydrophobicContact CE1-CD1 3.37Å; F85-I110 HydrophobicContact CE2-CD1 4.45Å; F85-I110 HydrophobicContact CZ-CB 4.25Å; F85-I110 HydrophobicContact CZ-CD1 3.4Å; F85-I110 VanDerWaalsContact CZ-CD1 3.4Å; F85-I110 HydrophobicContact CZ-CG1 4.41Å; F85-I110 HydrophobicContact CZ-CG2 4.05Å; T90-I110 HydrophobicContact CG2-CD1 3.66Å; T90-I110 HydrophobicContact CG2-CG1 4.15Å; T90-I110 WeakPolarHBondContact OG1-CD1 3.03Å; F92-I110 HydrophobicContact CE1-CD1 4.07Å; F92-I110 HydrophobicContact CE1-CG1 4.11Å; F92-I110 HydrophobicContact CZ-CD1 3.78Å; F92-I110 HydrophobicContact CZ-CG1 4.06Å
111Q94Very high89.6Confident82 Ų8271.5 Ų71.538%0.38338%0.379SS..EExtended strand (participates in β ladder)trans-94.9138.9177.8-178.9167.4-15.400108.9E2 L4 I130E2-Q111 WeakPolarHBondContact OE1-CG 3.37Å; E2-Q111 PolarHBondContact OE1-NE2 3.05Å; E2-Q111 PolarHBondContact OE2-NE2 2.96Å; L4-Q111 HydrophobicContact CD1-CB 4.31Å; Q111-I130 HydrophobicContact CG-CD1 4.22Å
112M92.5Very high91Very high44 Ų4466.8 Ų66.822%0.21736%0.358CS..EExtended strand (participates in β ladder)trans-136.1140.2-179.1-58179.671.300108.8E2 I3 F5 F85 L86 P114E2-M112 WeakPolarHBondContact CA-O 3.38Å; E2-M112 VanDerWaalsContact CB-O 3.32Å; E2-M112 WeakPolarHBondContact CB-O 3.36Å; I3-M112 PolarHBondContact N-O 3.25Å; I3-M112 PolarHBondContact O-N 2.78Å; F5-M112 HydrophobicContact CD2-SD 3.73Å; F5-M112 HydrophobicContact CE2-SD 3.81Å; F85-M112 HydrophobicContact CE2-SD 4.08Å; L86-M112 HydrophobicContact CD1-CE 3.91Å; L86-M112 HydrophobicContact CD1-SD 3.91Å; M112-P114 WeakPolarHBondContact O-CD 3.41Å
113D92.9Very high92.4Very high89 Ų8960.4 Ų60.448%0.47632%0.323SS..  trans-106.272.9167.6-165.740000110.3E2 R132E2-D113 HydrophobicContact CG-CB 3.9Å; E2-D113 WeakPolarHBondContact CG-OD1 3.45Å; D113-R132 IonicContact OD1-CZ 3.32Å; D113-R132 IonicContact OD1-NE 2.66Å; D113-R132 PolarHBondContact OD1-NE 2.99Å; D113-R132 IonicContact OD1-NH2 2.98Å; D113-R132 PolarHBondContact OD1-NH2 2.75Å; D113-R132 IonicContact OD2-CZ 2.84Å; D113-R132 VanDerWaalsContact OD2-CZ 3.27Å; D113-R132 IonicContact OD2-NE 2.72Å; D113-R132 PolarHBondContact OD2-NE 2.84Å; D113-R132 IonicContact OD2-NH2 2.79Å; D113-R132 PolarHBondContact OD2-NH2 3.28Å
114P91.1Very high93.1Very high19 Ų1964.1 Ų64.112%0.12333%0.331CS..  trans-71.5158178.931.3-36.5000111.7I3 M112 D118 W119 L122I3-P114 HydrophobicContact CB-CG 4.29Å; I3-P114 HydrophobicContact CG1-CG 3.66Å; M112-P114 WeakPolarHBondContact O-CD 3.41Å; P114-D118 HydrophobicContact CB-CB 4.3Å; P114-W119 PolarHBondContact O-NE1 2.89Å; P114-L122 HydrophobicContact CB-CD1 3.44Å; P114-L122 VanDerWaalsContact CB-CD1 3.44Å; P114-L122 HydrophobicContact CG-CD1 3.48Å; P114-L122 VanDerWaalsContact CG-CD1 3.48Å
115A92.2Very high93.3Very high52 Ų5262.9 Ų62.943%0.4332%0.324SS..  trans-58.8146.5171.400000111.2E117 D118 W119A115-E117 WeakPolarHBondContact CB-OE2 3.23Å; A115-E117 PolarHBondContact O-N 2.94Å; A115-D118 PolarHBondContact O-N 3.5Å; A115-W119 VanDerWaalsContact O-CD1 3.24Å
116P89.7Confident93.3Very high74 Ų7458.9 Ų58.948%0.48131%0.306SS..Hα-helixtrans-53.5-30.9-175.2-28.136.5000115.2D118 W119P116-D118 VanDerWaalsContact C-N 3.28Å; P116-D118 PolarHBondContact O-N 2.87Å; P116-W119 HydrophobicContact CB-CD2 4.39Å; P116-W119 HydrophobicContact CB-CH2 4.35Å; P116-W119 HydrophobicContact CB-CZ2 4.18Å; P116-W119 HydrophobicContact CG-CH2 4.35Å; P116-W119 HydrophobicContact CG-CZ2 4.01Å; P116-W119 WeakPolarHBondContact O-CB 3.37Å; P116-W119 PolarHBondContact O-N 3.25Å
117E91.1Very high93.4Very high153 Ų15356.9 Ų56.972%0.71529%0.294SS*.Hα-helixtrans-65.5-30.6179.8-59.571.2-155.400112.3A115A115-E117 WeakPolarHBondContact CB-OE2 3.23Å; A115-E117 PolarHBondContact O-N 2.94Å
118D92.4Very high93.3Very high58 Ų5856.1 Ų56.131%0.3129%0.291SS..Hα-helixtrans-86.6-13.2179.7-96.5-46.6000113.3P114 A115 P116 S120 K121 L122P114-D118 HydrophobicContact CB-CB 4.3Å; A115-D118 PolarHBondContact O-N 3.5Å; P116-D118 VanDerWaalsContact C-N 3.28Å; P116-D118 PolarHBondContact O-N 2.87Å; D118-S120 PolarHBondContact O-N 3.45Å; D118-K121 WeakPolarHBondContact O-CB 3.33Å; D118-K121 PolarHBondContact O-N 2.84Å; D118-K121 VanDerWaalsContact O-N 3.12Å; D118-K121 WeakPolarHBondContact OD1-CD 3.24Å; D118-K121 WeakPolarHBondContact OD1-CE 3.46Å; D118-K121 IonicContact OD1-NZ 3.33Å; D118-K121 PolarHBondContact OD1-NZ 3.21Å; D118-L122 HydrophobicContact CB-CD1 4.04Å; D118-L122 HydrophobicContact CB-CG 4.43Å; D118-L122 WeakPolarHBondContact O-CG 3.27Å; D118-L122 PolarHBondContact O-N 2.84Å
119W92.6Very high93.3Very high65 Ų6552.2 Ų52.225%0.24628%0.276CS..Hα-helixtrans-53.9-53.3-175.7-68.43000111.7M1 P114 A115 P116 K121 L122 I123M1-W119 HydrophobicContact CB-CE3 4.37Å; M1-W119 HydrophobicContact CB-CH2 3.84Å; M1-W119 HydrophobicContact CB-CZ2 3.99Å; M1-W119 HydrophobicContact CB-CZ3 4.02Å; M1-W119 HydrophobicContact CE-CB 4.5Å; M1-W119 HydrophobicContact CE-CD2 4.39Å; M1-W119 HydrophobicContact CE-CE3 4.36Å; M1-W119 HydrophobicContact CE-CG 4.48Å; M1-W119 HydrophobicContact SD-CD2 4.45Å; M1-W119 HydrophobicContact SD-CE3 4.03Å; M1-W119 HydrophobicContact SD-CZ3 4.33Å; P114-W119 PolarHBondContact O-NE1 2.89Å; A115-W119 VanDerWaalsContact O-CD1 3.24Å; P116-W119 HydrophobicContact CB-CD2 4.39Å; P116-W119 HydrophobicContact CB-CH2 4.35Å; P116-W119 HydrophobicContact CB-CZ2 4.18Å; P116-W119 HydrophobicContact CG-CH2 4.35Å; P116-W119 HydrophobicContact CG-CZ2 4.01Å; P116-W119 WeakPolarHBondContact O-CB 3.37Å; P116-W119 PolarHBondContact O-N 3.25Å; W119-K121 VanDerWaalsContact C-N 3.27Å; W119-K121 PolarHBondContact O-N 3.48Å; W119-L122 PolarHBondContact O-N 3.49Å; W119-I123 HydrophobicContact CB-CD1 4.4Å; W119-I123 WeakPolarHBondContact O-CB 3.47Å; W119-I123 VanDerWaalsContact O-CD1 3.28Å; W119-I123 WeakPolarHBondContact O-CD1 3.32Å; W119-I123 WeakPolarHBondContact O-CG1 3.34Å; W119-I123 PolarHBondContact O-N 3.39Å
120S92.7Very high93.2Very high73 Ų7349.4 Ų49.451%0.5126%0.259SS..Hα-helixtrans-57.4-38.1179.7-61.30000113.2D118 Q124D118-S120 PolarHBondContact O-N 3.45Å; S120-Q124 VanDerWaalsContact O-CG 3.24Å; S120-Q124 WeakPolarHBondContact O-CG 3.49Å; S120-Q124 PolarHBondContact O-N 3.34Å; S120-Q124 VanDerWaalsContact O-N 3.14Å
121K92.8Very high93.2Very high113 Ų11349.2 Ų49.249%0.49126%0.259SS..Hα-helixtrans-71.3-41.9179.4168.8177.5141.4-146.90111.3D118 W119 Q124 L125D118-K121 WeakPolarHBondContact O-CB 3.33Å; D118-K121 PolarHBondContact O-N 2.84Å; D118-K121 VanDerWaalsContact O-N 3.12Å; D118-K121 WeakPolarHBondContact OD1-CD 3.24Å; D118-K121 WeakPolarHBondContact OD1-CE 3.46Å; D118-K121 IonicContact OD1-NZ 3.33Å; D118-K121 PolarHBondContact OD1-NZ 3.21Å; W119-K121 VanDerWaalsContact C-N 3.27Å; W119-K121 PolarHBondContact O-N 3.48Å; K121-Q124 PolarHBondContact O-N 3.39Å; K121-L125 HydrophobicContact CG-CD1 4.37Å; K121-L125 WeakPolarHBondContact O-CD1 3.4Å; K121-L125 VanDerWaalsContact O-CG 3.26Å; K121-L125 WeakPolarHBondContact O-CG 3.36Å; K121-L125 PolarHBondContact O-N 3.35Å
122L94.2Very high93Very high7 Ų752.3 Ų52.34%0.03727%0.267CS..Hα-helixtrans-72.7-32.1179.6-63.8170.4000112.5I3 F5 L86 P114 D118 W119 L125 G126 G127I3-L122 HydrophobicContact CG1-CB 4.24Å; I3-L122 HydrophobicContact CG1-CD1 4.36Å; I3-L122 HydrophobicContact CG2-CB 4.18Å; F5-L122 HydrophobicContact CE2-CB 4.37Å; F5-L122 HydrophobicContact CE2-CD2 4.12Å; F5-L122 HydrophobicContact CZ-CB 4.12Å; F5-L122 HydrophobicContact CZ-CD2 3.95Å; L86-L122 HydrophobicContact CD1-CD2 3.44Å; L86-L122 VanDerWaalsContact CD1-CD2 3.44Å; L86-L122 HydrophobicContact CD2-CD2 3.75Å; L86-L122 HydrophobicContact CG-CD2 4.25Å; P114-L122 HydrophobicContact CB-CD1 3.44Å; P114-L122 VanDerWaalsContact CB-CD1 3.44Å; P114-L122 HydrophobicContact CG-CD1 3.48Å; P114-L122 VanDerWaalsContact CG-CD1 3.48Å; D118-L122 HydrophobicContact CB-CD1 4.04Å; D118-L122 HydrophobicContact CB-CG 4.43Å; D118-L122 WeakPolarHBondContact O-CG 3.27Å; D118-L122 PolarHBondContact O-N 2.84Å; W119-L122 PolarHBondContact O-N 3.49Å; L122-L125 HydrophobicContact CD2-CD1 4.48Å; L122-L125 CarbonylContact O-C 3.55Å; L122-L125 PolarHBondContact O-N 2.93Å; L122-G126 PolarHBondContact O-N 3.3Å; L122-G127 PolarHBondContact O-N 2.9Å
123I93.5Very high93Very high17 Ų1756 Ų569%0.08729%0.293CS..Hα-helixtrans-66.5-43.2172.6-69.1161.7000111.3M1 I3 W119 L125 G126 P157 F158M1-I123 HydrophobicContact CE-CD1 3.68Å; I3-I123 HydrophobicContact CD1-CD1 4.21Å; I3-I123 HydrophobicContact CD1-CG1 3.81Å; W119-I123 HydrophobicContact CB-CD1 4.4Å; W119-I123 WeakPolarHBondContact O-CB 3.47Å; W119-I123 VanDerWaalsContact O-CD1 3.28Å; W119-I123 WeakPolarHBondContact O-CD1 3.32Å; W119-I123 WeakPolarHBondContact O-CG1 3.34Å; W119-I123 PolarHBondContact O-N 3.39Å; I123-L125 PolarHBondContact O-N 2.99Å; I123-G126 PolarHBondContact O-N 2.97Å; I123-P157 HydrophobicContact CG2-CB 3.91Å; I123-P157 HydrophobicContact CG2-CG 4.13Å; I123-F158 HydrophobicContact CD1-CE1 4.3Å; I123-F158 HydrophobicContact CD1-CE2 4.39Å; I123-F158 HydrophobicContact CD1-CZ 3.71Å; I123-F158 HydrophobicContact CG2-CE2 4.35Å
124Q93Very high92.9Very high136 Ų13652.6 Ų52.664%0.63628%0.276SS*.Hα-helixtrans-62-23.6172.9-73.3168.82300113Y38 S120 K121 G126Y38-Q124 WeakPolarHBondContact CD1-O 3.47Å; S120-Q124 VanDerWaalsContact O-CG 3.24Å; S120-Q124 WeakPolarHBondContact O-CG 3.49Å; S120-Q124 PolarHBondContact O-N 3.34Å; S120-Q124 VanDerWaalsContact O-N 3.14Å; K121-Q124 PolarHBondContact O-N 3.39Å; Q124-G126 VanDerWaalsContact C-N 3.3Å
125L93.9Very high93Very high32 Ų3255.3 Ų55.317%0.16829%0.292CS..THydrogen-bonded Turntrans-887.8173.9-64166.7000113.1F5 A42 F43 L86 K121 L122 I123F5-L125 HydrophobicContact CE1-CB 4.34Å; A42-L125 HydrophobicContact CB-CD2 3.54Å; F43-L125 HydrophobicContact CB-CD1 4.05Å; F43-L125 HydrophobicContact CB-CD2 4.16Å; F43-L125 HydrophobicContact CB-CG 4.49Å; F43-L125 HydrophobicContact CD1-CB 3.99Å; F43-L125 HydrophobicContact CD1-CD2 4.13Å; F43-L125 HydrophobicContact CE1-CB 4.47Å; F43-L125 WeakPolarHBondContact CE1-O 3.2Å; F43-L125 HydrophobicContact CG-CB 4.38Å; L86-L125 HydrophobicContact CD2-CD1 4.11Å; K121-L125 HydrophobicContact CG-CD1 4.37Å; K121-L125 WeakPolarHBondContact O-CD1 3.4Å; K121-L125 VanDerWaalsContact O-CG 3.26Å; K121-L125 WeakPolarHBondContact O-CG 3.36Å; K121-L125 PolarHBondContact O-N 3.35Å; L122-L125 HydrophobicContact CD2-CD1 4.48Å; L122-L125 CarbonylContact O-C 3.55Å; L122-L125 PolarHBondContact O-N 2.93Å; I123-L125 PolarHBondContact O-N 2.99Å
126G93.6Very high93Very high1 Ų160.2 Ų60.21%0.0131%0.306CS..THydrogen-bonded Turntrans88.511.1176.200000115.5W34 L122 I123 Q124W34-G126 PolarHBondContact NE1-O 2.94Å; L122-G126 PolarHBondContact O-N 3.3Å; I123-G126 PolarHBondContact O-N 2.97Å; Q124-G126 VanDerWaalsContact C-N 3.3Å
127G95.3Very high93.2Very high0 Ų059.4 Ų59.40%030%0.302CS..PPolyproline II helixtrans-71.8123.1171.800000111.5L122L122-G127 PolarHBondContact O-N 2.9Å
128I95.5Very high93.2Very high0 Ų053.5 Ų53.50%028%0.276CS..EExtended strand (participates in β ladder)trans-73.8134.2-179.1-65.8168.6000109.7I3 L4 V6 W34 I130 I142 I146 F160I3-I128 WeakPolarHBondContact CA-O 3.41Å; L4-I128 HydrophobicContact CB-CB 4.27Å; L4-I128 PolarHBondContact N-O 3.24Å; L4-I128 PolarHBondContact O-N 3.43Å; V6-I128 HydrophobicContact CG2-CD1 3.87Å; W34-I128 HydrophobicContact CD2-CD1 4.2Å; W34-I128 HydrophobicContact CH2-CD1 4.4Å; W34-I128 HydrophobicContact CH2-CG1 4.45Å; W34-I128 HydrophobicContact CZ2-CD1 3.95Å; W34-I128 HydrophobicContact CZ2-CG1 3.75Å; I128-I130 HydrophobicContact CG2-CG2 4.02Å; I128-I142 HydrophobicContact CD1-CG2 3.87Å; I128-I146 HydrophobicContact CD1-CD1 3.87Å; I128-F160 HydrophobicContact CD1-CD2 4.17Å; I128-F160 HydrophobicContact CD1-CE2 3.66Å; I128-F160 HydrophobicContact CD1-CZ 4.28Å; I128-F160 HydrophobicContact CG1-CD2 4.36Å; I128-F160 HydrophobicContact CG1-CE2 4.12Å; I128-F160 HydrophobicContact CG2-CD2 3.58Å; I128-F160 HydrophobicContact CG2-CE2 4.18Å; I128-F160 HydrophobicContact CG2-CG 4.3Å
129A95Very high93.3Very high0 Ų051.3 Ų51.30%027%0.265CS..EExtended strand (participates in β ladder)trans-76.7126.1176.300000110.6M1 P157 F158 Y161 L164M1-A129 HydrophobicContact CE-CB 3.38Å; M1-A129 HydrophobicContact SD-CB 4.09Å; A129-P157 PolarHBondContact N-O 3.1Å; A129-P157 VanDerWaalsContact N-O 3.13Å; A129-F158 HydrophobicContact CB-CD1 3.48Å; A129-F158 VanDerWaalsContact CB-CD1 3.48Å; A129-F158 HydrophobicContact CB-CE1 3.4Å; A129-F158 VanDerWaalsContact CB-CE1 3.4Å; A129-F158 HydrophobicContact CB-CZ 4.41Å; A129-Y161 WeakPolarHBondContact O-CD2 3.46Å; A129-L164 HydrophobicContact CB-CB 4.43Å; A129-L164 HydrophobicContact CB-CD1 4.21Å
130I95.1Very high93.4Very high0 Ų053 Ų530%028%0.275CS..EExtended strand (participates in β ladder)trans-133.8150178.366.1167000113M1 E2 L4 Q111 I128 I142 Y161M1-I130 WeakPolarHBondContact CA-O 3.39Å; E2-I130 HydrophobicContact CB-CD1 4.3Å; E2-I130 HydrophobicContact CB-CG1 3.86Å; E2-I130 PolarHBondContact N-O 2.89Å; E2-I130 PolarHBondContact O-N 2.84Å; L4-I130 HydrophobicContact CB-CD1 4.02Å; L4-I130 HydrophobicContact CB-CG1 4.35Å; L4-I130 HydrophobicContact CB-CG2 4.05Å; L4-I130 HydrophobicContact CD2-CG2 4.31Å; Q111-I130 HydrophobicContact CG-CD1 4.22Å; I128-I130 HydrophobicContact CG2-CG2 4.02Å; I130-I142 HydrophobicContact CG2-CD1 3.81Å; I130-Y161 HydrophobicContact CB-CD2 4.42Å; I130-Y161 HydrophobicContact CB-CE2 4.2Å; I130-Y161 HydrophobicContact CG2-CD2 4.16Å; I130-Y161 HydrophobicContact CG2-CE2 3.92Å
131P93.6Very high93.5Very high18 Ų1854.5 Ų54.512%0.11727%0.274CS..  trans-64150.4170.8-23.334.9000111.9T133 S134 Y161 L164P131-T133 WeakPolarHBondContact CB-OG1 3.35Å; P131-T133 PolarHBondContact O-N 2.93Å; P131-S134 WeakPolarHBondContact CD-OG 3.37Å; P131-S134 WeakPolarHBondContact O-CB 3.47Å; P131-S134 PolarHBondContact O-N 2.85Å; P131-S134 PolarHBondContact O-OG 2.88Å; P131-Y161 HydrophobicContact CG-CD1 3.63Å; P131-Y161 HydrophobicContact CG-CE1 3.67Å; P131-Y161 HydrophobicContact CG-CG 4.13Å; P131-L164 HydrophobicContact CG-CD1 4.22Å
132R91.4Very high93.6Very high148 Ų14849.4 Ų49.456%0.55825%0.252SS*.THydrogen-bonded Turntrans-66.7-8.4170.5-82.4-179.5-174173.3-4.5114.2E2 D113 S134E2-R132 HydrophobicContact CG-CG 3.79Å; E2-R132 WeakPolarHBondContact OE2-CA 3.4Å; D113-R132 IonicContact OD1-CZ 3.32Å; D113-R132 IonicContact OD1-NE 2.66Å; D113-R132 PolarHBondContact OD1-NE 2.99Å; D113-R132 IonicContact OD1-NH2 2.98Å; D113-R132 PolarHBondContact OD1-NH2 2.75Å; D113-R132 IonicContact OD2-CZ 2.84Å; D113-R132 VanDerWaalsContact OD2-CZ 3.27Å; D113-R132 IonicContact OD2-NE 2.72Å; D113-R132 PolarHBondContact OD2-NE 2.84Å; D113-R132 IonicContact OD2-NH2 2.79Å; D113-R132 PolarHBondContact OD2-NH2 3.28Å; R132-S134 VanDerWaalsContact C-N 3.33Å
133T91.5Very high93.7Very high122 Ų12249.7 Ų49.775%0.74826%0.255SS*.THydrogen-bonded Turntrans-914.6172.347.10000112.7P131 T135P131-T133 WeakPolarHBondContact CB-OG1 3.35Å; P131-T133 PolarHBondContact O-N 2.93Å; T133-T135 PolarHBondContact O-N 2.98Å
134S91Very high93.7Very high17 Ų1753.3 Ų53.312%0.11927%0.271CS..  trans-65.5128.1-179.9-65.10000111.4P131 R132 T138P131-S134 WeakPolarHBondContact CD-OG 3.37Å; P131-S134 WeakPolarHBondContact O-CB 3.47Å; P131-S134 PolarHBondContact O-N 2.85Å; P131-S134 PolarHBondContact O-OG 2.88Å; R132-S134 VanDerWaalsContact C-N 3.33Å; S134-T138 WeakPolarHBondContact CB-OG1 3.49Å
135T92.8Very high93.7Very high75 Ų7549.5 Ų49.546%0.4626%0.257SS..  trans-99168.1177.663.30000110.2T133 S137 T138 V139T133-T135 PolarHBondContact O-N 2.98Å; T135-S137 PolarHBondContact O-N 2.87Å; T135-S137 VanDerWaalsContact O-N 3.09Å; T135-S137 PolarHBondContact OG1-N 2.72Å; T135-T138 PolarHBondContact N-OG1 2.81Å; T135-T138 PolarHBondContact O-N 2.84Å; T135-T138 PolarHBondContact O-OG1 3.02Å; T135-T138 VanDerWaalsContact O-OG1 3.06Å; T135-V139 PolarHBondContact O-N 3.43Å; T135-V139 VanDerWaalsContact O-N 3.1Å
136Q92.3Very high93.7Very high156 Ų15648 Ų4873%0.72925%0.25SC*.Hα-helixtrans-56.1-27.6172.4-165.4-178.734.400112.4H140Q136-H140 VanDerWaalsContact O-CB 3.25Å; Q136-H140 WeakPolarHBondContact O-CB 3.35Å; Q136-H140 PolarHBondContact O-N 2.87Å
137S92.9Very high93.7Very high57 Ų5753.5 Ų53.540%0.39928%0.275SS..Hα-helixtrans-65-47.6173.8-55.90000112.3T135 H140 E141T135-S137 PolarHBondContact O-N 2.87Å; T135-S137 VanDerWaalsContact O-N 3.09Å; T135-S137 PolarHBondContact OG1-N 2.72Å; S137-H140 CarbonylContact O-C 3.58Å; S137-H140 WeakPolarHBondContact O-CB 3.42Å; S137-H140 PolarHBondContact O-N 2.8Å; S137-H140 VanDerWaalsContact O-N 3.15Å; S137-E141 WeakPolarHBondContact O-CG 3.5Å; S137-E141 PolarHBondContact O-N 3.1Å
138T92.5Very high93.5Very high29 Ų2957.8 Ų57.818%0.17831%0.305CS..Hα-helixtrans-69.3-37.2179.563.60000111.6S134 T135 H140 E141 I142 Y161S134-T138 WeakPolarHBondContact CB-OG1 3.49Å; T135-T138 PolarHBondContact N-OG1 2.81Å; T135-T138 PolarHBondContact O-N 2.84Å; T135-T138 PolarHBondContact O-OG1 3.02Å; T135-T138 VanDerWaalsContact O-OG1 3.06Å; T138-H140 VanDerWaalsContact C-N 3.27Å; T138-H140 PolarHBondContact O-N 2.8Å; T138-E141 PolarHBondContact O-N 3.44Å; T138-I142 VanDerWaalsContact O-CG1 3.32Å; T138-I142 WeakPolarHBondContact O-CG1 3.49Å; T138-I142 PolarHBondContact O-N 2.9Å; T138-Y161 WeakPolarHBondContact CB-OH 3.44Å
139V94.7Very high93.3Very high12 Ų1262.8 Ų62.87%0.07332%0.324CS..Hα-helixtrans-59.5-39.3170.8174.10000111.5L4 T109 T135 V143L4-V139 HydrophobicContact CD1-CG1 4.02Å; L4-V139 HydrophobicContact CD1-CG2 4.28Å; L4-V139 HydrophobicContact CD2-CG1 4.17Å; L4-V139 HydrophobicContact CD2-CG2 4.37Å; T109-V139 HydrophobicContact CG2-CG1 3.84Å; T135-V139 PolarHBondContact O-N 3.43Å; T135-V139 VanDerWaalsContact O-N 3.1Å; V139-V143 WeakPolarHBondContact O-CB 3.38Å; V139-V143 WeakPolarHBondContact O-CG2 3.39Å; V139-V143 PolarHBondContact O-N 3.49Å; V139-V143 VanDerWaalsContact O-N 3.11Å
140H94.1Very high93Very high99 Ų9968.8 Ų68.846%0.45837%0.367SS..Hα-helixtrans-70.1-35.5175.4172-107.6000112.7Q136 S137 T138 V143 Q144Q136-H140 VanDerWaalsContact O-CB 3.25Å; Q136-H140 WeakPolarHBondContact O-CB 3.35Å; Q136-H140 PolarHBondContact O-N 2.87Å; S137-H140 CarbonylContact O-C 3.58Å; S137-H140 WeakPolarHBondContact O-CB 3.42Å; S137-H140 PolarHBondContact O-N 2.8Å; S137-H140 VanDerWaalsContact O-N 3.15Å; T138-H140 VanDerWaalsContact C-N 3.27Å; T138-H140 PolarHBondContact O-N 2.8Å; H140-V143 CarbonylContact O-C 3.29Å; H140-V143 PolarHBondContact O-N 2.6Å; H140-Q144 PolarHBondContact CE1-NE2 3.41Å; H140-Q144 PolarHBondContact NE2-NE2 3.14Å; H140-Q144 WeakPolarHBondContact O-CG 3.35Å; H140-Q144 PolarHBondContact O-N 3.3Å
141E94.3Very high92.7Very high105 Ų10572.9 Ų72.949%0.49139%0.388SS..Hα-helixtrans-66.7-41.4174.1-72.7158.5-169.400112.5S137 T138 V143 Q144 T145S137-E141 WeakPolarHBondContact O-CG 3.5Å; S137-E141 PolarHBondContact O-N 3.1Å; T138-E141 PolarHBondContact O-N 3.44Å; E141-V143 VanDerWaalsContact C-N 3.31Å; E141-V143 PolarHBondContact O-N 2.71Å; E141-Q144 PolarHBondContact O-N 3.22Å; E141-T145 WeakPolarHBondContact O-CB 3.41Å; E141-T145 PolarHBondContact O-N 3.38Å; E141-T145 PolarHBondContact O-OG1 3.05Å
142I95.2Very high92.6Very high6 Ų673.5 Ų73.53%0.03139%0.39CS..Hα-helixtrans-56.4-48.1169.5-66164.6000109.8L4 I128 I130 T138 Q144 T145 I146 F160 Y161L4-I142 HydrophobicContact CD2-CD1 3.78Å; L4-I142 HydrophobicContact CD2-CG2 4.2Å; I128-I142 HydrophobicContact CD1-CG2 3.87Å; I130-I142 HydrophobicContact CG2-CD1 3.81Å; T138-I142 VanDerWaalsContact O-CG1 3.32Å; T138-I142 WeakPolarHBondContact O-CG1 3.49Å; T138-I142 PolarHBondContact O-N 2.9Å; I142-Q144 PolarHBondContact O-N 3.21Å; I142-T145 WeakPolarHBondContact O-CB 3.49Å; I142-T145 PolarHBondContact O-N 2.84Å; I142-I146 HydrophobicContact CG2-CD1 3.86Å; I142-I146 WeakPolarHBondContact O-CG1 3.45Å; I142-I146 PolarHBondContact O-N 3.17Å; I142-F160 HydrophobicContact CB-CD1 4.24Å; I142-F160 HydrophobicContact CB-CE1 4.38Å; I142-F160 HydrophobicContact CG1-CB 4.32Å; I142-F160 HydrophobicContact CG1-CD1 3.91Å; I142-F160 HydrophobicContact CG1-CG 4.17Å; I142-F160 HydrophobicContact CG2-CD1 3.99Å; I142-F160 HydrophobicContact CG2-CD2 4.48Å; I142-F160 HydrophobicContact CG2-CE1 3.85Å; I142-F160 HydrophobicContact CG2-CE2 4.35Å; I142-F160 HydrophobicContact CG2-CG 4.3Å; I142-F160 HydrophobicContact CG2-CZ 4.04Å; I142-Y161 HydrophobicContact CD1-CE2 4.09Å
143V95.6Very high92.5Very high14 Ų1470.3 Ų70.39%0.08538%0.382CS..Hα-helixtrans-67-32.3179.8164.20000113.1V6 T109 V139 H140 E141 Q147V6-V143 HydrophobicContact CG1-CG2 4.29Å; T109-V143 HydrophobicContact CG2-CG2 3.5Å; T109-V143 VanDerWaalsContact CG2-CG2 3.5Å; V139-V143 WeakPolarHBondContact O-CB 3.38Å; V139-V143 WeakPolarHBondContact O-CG2 3.39Å; V139-V143 PolarHBondContact O-N 3.49Å; V139-V143 VanDerWaalsContact O-N 3.11Å; H140-V143 CarbonylContact O-C 3.29Å; H140-V143 PolarHBondContact O-N 2.6Å; E141-V143 VanDerWaalsContact C-N 3.31Å; E141-V143 PolarHBondContact O-N 2.71Å; V143-Q147 WeakPolarHBondContact O-CB 3.5Å; V143-Q147 VanDerWaalsContact O-CG 3.27Å; V143-Q147 WeakPolarHBondContact O-CG 3.29Å; V143-Q147 PolarHBondContact O-N 3.05Å; V143-Q147 VanDerWaalsContact O-N 3.07Å; V143-Q147 PolarHBondContact O-NE2 2.86Å
144Q93.9Very high92.3Very high92 Ų9267.2 Ų67.243%0.4337%0.365SS..Hα-helixtrans-71.6-37.8171.5-76.4-170.1-5.700112.1H140 E141 I142 Q147 S148H140-Q144 PolarHBondContact CE1-NE2 3.41Å; H140-Q144 PolarHBondContact NE2-NE2 3.14Å; H140-Q144 WeakPolarHBondContact O-CG 3.35Å; H140-Q144 PolarHBondContact O-N 3.3Å; E141-Q144 PolarHBondContact O-N 3.22Å; I142-Q144 PolarHBondContact O-N 3.21Å; Q144-Q147 PolarHBondContact O-N 2.91Å; Q144-S148 PolarHBondContact O-N 3.43Å; Q144-S148 PolarHBondContact O-OG 3.05Å
145T93.7Very high92.3Very high57 Ų5767 Ų6735%0.3536%0.363SS..Hα-helixtrans-61.3-51174.4-55.90000109.5E141 I142 Q147 S148 Y149 F160E141-T145 WeakPolarHBondContact O-CB 3.41Å; E141-T145 PolarHBondContact O-N 3.38Å; E141-T145 PolarHBondContact O-OG1 3.05Å; I142-T145 WeakPolarHBondContact O-CB 3.49Å; I142-T145 PolarHBondContact O-N 2.84Å; T145-Q147 PolarHBondContact O-N 2.8Å; T145-S148 PolarHBondContact O-N 2.86Å; T145-S148 PolarHBondContact O-OG 3.21Å; T145-S148 VanDerWaalsContact O-OG 3.05Å; T145-Y149 WeakPolarHBondContact O-CB 3.48Å; T145-Y149 PolarHBondContact O-N 3.07Å; T145-F160 HydrophobicContact CG2-CE1 3.88Å
146I94.7Very high92.1Very high1 Ų167.4 Ų67.41%0.00536%0.359CS..Hα-helixtrans-57.9-31.4173.7-68.1168.5000112.7V6 W34 Y107 I128 I142 L152 F160V6-I146 HydrophobicContact CB-CD1 4.48Å; V6-I146 HydrophobicContact CG1-CD1 4.21Å; V6-I146 HydrophobicContact CG2-CD1 4.33Å; W34-I146 HydrophobicContact CB-CD1 4.31Å; W34-I146 HydrophobicContact CB-CG2 4.2Å; W34-I146 HydrophobicContact CD2-CD1 4Å; W34-I146 HydrophobicContact CE3-CD1 3.69Å; W34-I146 HydrophobicContact CE3-CG1 3.81Å; W34-I146 HydrophobicContact CE3-CG2 4.4Å; W34-I146 HydrophobicContact CG-CD1 4.29Å; W34-I146 HydrophobicContact CZ3-CD1 4.35Å; W34-I146 HydrophobicContact CZ3-CG1 4.26Å; Y107-I146 HydrophobicContact CD1-CG2 4.16Å; Y107-I146 HydrophobicContact CE1-CG2 3.64Å; Y107-I146 HydrophobicContact CE2-CG2 4.32Å; I128-I146 HydrophobicContact CD1-CD1 3.87Å; I142-I146 HydrophobicContact CG2-CD1 3.86Å; I142-I146 WeakPolarHBondContact O-CG1 3.45Å; I142-I146 PolarHBondContact O-N 3.17Å; I146-L152 HydrophobicContact CB-CD2 4.4Å; I146-L152 HydrophobicContact CG2-CD2 3.93Å; I146-F160 HydrophobicContact CD1-CZ 4.14Å; I146-F160 HydrophobicContact CG1-CE1 4.43Å; I146-F160 HydrophobicContact CG1-CZ 3.89Å
147Q92.1Very high92Very high115 Ų11560 Ų6054%0.53733%0.325SS..Hα-helixtrans-76.6-23.9176.1-81.3171.155.400114.7Y107 V143 Q144 T145Y107-Q147 HydrophobicContact CD2-CG 3.57Å; Y107-Q147 HydrophobicContact CE2-CG 3.56Å; V143-Q147 WeakPolarHBondContact O-CB 3.5Å; V143-Q147 VanDerWaalsContact O-CG 3.27Å; V143-Q147 WeakPolarHBondContact O-CG 3.29Å; V143-Q147 PolarHBondContact O-N 3.05Å; V143-Q147 VanDerWaalsContact O-N 3.07Å; V143-Q147 PolarHBondContact O-NE2 2.86Å; Q144-Q147 PolarHBondContact O-N 2.91Å; T145-Q147 PolarHBondContact O-N 2.8Å
148S91.4Very high92Very high90 Ų9058 Ų5863%0.62931%0.309SS*.Hα-helixtrans-102.5-22-176.650.30000113.5Q144 T145 S150Q144-S148 PolarHBondContact O-N 3.43Å; Q144-S148 PolarHBondContact O-OG 3.05Å; T145-S148 PolarHBondContact O-N 2.86Å; T145-S148 PolarHBondContact O-OG 3.21Å; T145-S148 VanDerWaalsContact O-OG 3.05Å; S148-S150 PolarHBondContact O-N 2.67Å
149Y91.5Very high91.9Very high105 Ų10559.4 Ų59.441%0.41232%0.32SS..  trans-73.9125-179.3-146.3-99.5000111.8T145 D151 L155T145-Y149 WeakPolarHBondContact O-CB 3.48Å; T145-Y149 PolarHBondContact O-N 3.07Å; Y149-D151 VanDerWaalsContact CD1-O 3.26Å; Y149-D151 WeakPolarHBondContact CD1-O 3.21Å; Y149-D151 HydrophobicContact CE1-CB 4.46Å; Y149-D151 WeakPolarHBondContact CE1-O 3.14Å; Y149-L155 HydrophobicContact CD1-CD1 3.74Å; Y149-L155 HydrophobicContact CD1-CD2 4.11Å; Y149-L155 HydrophobicContact CD1-CG 3.7Å; Y149-L155 HydrophobicContact CD2-CD1 4.43Å; Y149-L155 HydrophobicContact CD2-CD2 4.36Å; Y149-L155 HydrophobicContact CE1-CD1 4.29Å; Y149-L155 HydrophobicContact CE1-CD2 3.84Å; Y149-L155 HydrophobicContact CE1-CG 3.76Å; Y149-L155 HydrophobicContact CE2-CD2 4.1Å; Y149-L155 HydrophobicContact CG-CD1 3.82Å; Y149-L155 HydrophobicContact CG-CD2 4.36Å; Y149-L155 HydrophobicContact CG-CG 4.19Å
150S87.9Confident91.7Very high127 Ų12760.7 Ų60.789%0.88832%0.324SS*.SBendtrans-82.5-35.9-174.7-62.30000113.6S148S148-S150 PolarHBondContact O-N 2.67Å
151D89.8Confident91.6Very high85 Ų8558 Ų5846%0.45531%0.311SS..  trans-104.972.2178.1177.937.3000110.4Y149 E153 S154Y149-D151 VanDerWaalsContact CD1-O 3.26Å; Y149-D151 WeakPolarHBondContact CD1-O 3.21Å; Y149-D151 HydrophobicContact CE1-CB 4.46Å; Y149-D151 WeakPolarHBondContact CE1-O 3.14Å; D151-E153 PolarHBondContact O-N 2.91Å; D151-S154 PolarHBondContact O-N 3.28Å; D151-S154 PolarHBondContact O-OG 3.45Å; D151-S154 VanDerWaalsContact O-OG 3.05Å; D151-S154 WeakPolarHBondContact OD2-CB 3.46Å; D151-S154 PolarHBondContact OD2-OG 3.23Å
152L90.4Very high91.4Very high31 Ų3157.2 Ų57.216%0.16231%0.314CS..G310 helixtrans-56.4-21.1-177.3-76.7164.5000113.9W34 N35 I146 L155W34-L152 HydrophobicContact CE3-CD2 4.45Å; N35-L152 PolarHBondContact ND2-O 2.87Å; I146-L152 HydrophobicContact CB-CD2 4.4Å; I146-L152 HydrophobicContact CG2-CD2 3.93Å; L152-L155 HydrophobicContact CD2-CD1 4.24Å
153E90.3Very high91.1Very high82 Ų8264.3 Ų64.338%0.38335%0.348SS..G310 helixtrans-66.4-37.6179.1-81.7-152.8-148.100114.1P36 R37 D151 L155P36-E153 HydrophobicContact CG-CG 3.74Å; R37-E153 WeakPolarHBondContact CD-O 3.25Å; R37-E153 HydrophobicContact CG-CB 4.44Å; R37-E153 HydrophobicContact CG-CG 4.03Å; R37-E153 IonicContact CZ-OE2 2.78Å; R37-E153 PolarHBondContact NE-O 3.14Å; R37-E153 IonicContact NE-OE2 2.63Å; R37-E153 PolarHBondContact NE-OE2 2.82Å; R37-E153 PolarHBondContact NH1-O 3.12Å; R37-E153 IonicContact NH2-OE2 3.69Å; R37-E153 PolarHBondContact NH2-OE2 3.46Å; D151-E153 PolarHBondContact O-N 2.91Å; E153-L155 PolarHBondContact O-N 3.11Å
154S88.2Confident90.8Very high57 Ų5765.6 Ų65.640%0.39935%0.354SS..G310 helixtrans-75.2-9.9-179.249.20000114D151 H156D151-S154 PolarHBondContact O-N 3.28Å; D151-S154 PolarHBondContact O-OG 3.45Å; D151-S154 VanDerWaalsContact O-OG 3.05Å; D151-S154 WeakPolarHBondContact OD2-CB 3.46Å; D151-S154 PolarHBondContact OD2-OG 3.23Å; S154-H156 PolarHBondContact O-N 3.26Å
155L90.4Very high90.5Very high13 Ų1366.2 Ų66.27%0.06836%0.356CS..  trans-77.4111.9172.7-64.9-179.5000111.4W34 N35 Y149 L152 E153 F160W34-L155 HydrophobicContact CH2-CB 3.9Å; W34-L155 WeakPolarHBondContact CH2-O 3.35Å; W34-L155 HydrophobicContact CZ3-CB 3.77Å; W34-L155 HydrophobicContact CZ3-CD1 4.09Å; N35-L155 PolarHBondContact ND2-O 3.3Å; Y149-L155 HydrophobicContact CD1-CD1 3.74Å; Y149-L155 HydrophobicContact CD1-CD2 4.11Å; Y149-L155 HydrophobicContact CD1-CG 3.7Å; Y149-L155 HydrophobicContact CD2-CD1 4.43Å; Y149-L155 HydrophobicContact CD2-CD2 4.36Å; Y149-L155 HydrophobicContact CE1-CD1 4.29Å; Y149-L155 HydrophobicContact CE1-CD2 3.84Å; Y149-L155 HydrophobicContact CE1-CG 3.76Å; Y149-L155 HydrophobicContact CE2-CD2 4.1Å; Y149-L155 HydrophobicContact CG-CD1 3.82Å; Y149-L155 HydrophobicContact CG-CD2 4.36Å; Y149-L155 HydrophobicContact CG-CG 4.19Å; L152-L155 HydrophobicContact CD2-CD1 4.24Å; E153-L155 PolarHBondContact O-N 3.11Å; L155-F160 HydrophobicContact CD1-CZ 4.21Å
156H88.1Confident89.8Confident83 Ų8368 Ų6838%0.38437%0.369SS..  trans-80.5153.2170.7-165.1-121.5000110.4S154 F158 S159S154-H156 PolarHBondContact O-N 3.26Å; H156-F158 AromaticContact CE1-CD2 3.72Å; H156-F158 AromaticContact ND1-CD2 3.78Å; H156-F158 PolarHBondContact O-N 2.94Å; H156-S159 PolarHBondContact N-OG 3.18Å; H156-S159 VanDerWaalsContact O-CB 3.25Å; H156-S159 WeakPolarHBondContact O-CB 3.25Å; H156-S159 PolarHBondContact O-N 3.37Å; H156-S159 PolarHBondContact O-OG 3.06Å; H156-S159 VanDerWaalsContact O-OG 3.06Å
157P90.7Very high88.7Confident0 Ų073.8 Ų73.80%041%0.405CS..THydrogen-bonded Turntrans-57.6-18.1177-31.739.2000116.4Y38 I123 A129Y38-P157 HydrophobicContact CE2-CG 4.17Å; Y38-P157 VanDerWaalsContact OH-CD 3.27Å; Y38-P157 WeakPolarHBondContact OH-CD 3.39Å; I123-P157 HydrophobicContact CG2-CB 3.91Å; I123-P157 HydrophobicContact CG2-CG 4.13Å; A129-P157 PolarHBondContact N-O 3.1Å; A129-P157 VanDerWaalsContact N-O 3.13Å
158F91.7Very high86.9Confident15 Ų1573.3 Ų73.37%0.06642%0.421CS..THydrogen-bonded Turntrans-92.6-5.1172.1-68-65.3000114.3M1 I123 A129 H156 F160 Y161 P162 L164 E165 P166M1-F158 HydrophobicContact CE-CE1 4.27Å; I123-F158 HydrophobicContact CD1-CE1 4.3Å; I123-F158 HydrophobicContact CD1-CE2 4.39Å; I123-F158 HydrophobicContact CD1-CZ 3.71Å; I123-F158 HydrophobicContact CG2-CE2 4.35Å; A129-F158 HydrophobicContact CB-CD1 3.48Å; A129-F158 VanDerWaalsContact CB-CD1 3.48Å; A129-F158 HydrophobicContact CB-CE1 3.4Å; A129-F158 VanDerWaalsContact CB-CE1 3.4Å; A129-F158 HydrophobicContact CB-CZ 4.41Å; H156-F158 AromaticContact CE1-CD2 3.72Å; H156-F158 AromaticContact ND1-CD2 3.78Å; H156-F158 PolarHBondContact O-N 2.94Å; F158-F160 PolarHBondContact O-N 3.18Å; F158-Y161 CarbonylContact O-C 3.57Å; F158-Y161 PolarHBondContact O-N 2.68Å; F158-P162 WeakPolarHBondContact O-CA 3.25Å; F158-P162 WeakPolarHBondContact O-CD 3.33Å; F158-L164 HydrophobicContact CD1-CB 4.06Å; F158-L164 HydrophobicContact CE1-CB 4.03Å; F158-L164 WeakPolarHBondContact CE1-O 3.42Å; F158-E165 HydrophobicContact CB-CB 4.36Å; F158-E165 HydrophobicContact CD1-CB 4.25Å; F158-E165 HydrophobicContact CD2-CB 4.05Å; F158-E165 HydrophobicContact CD2-CG 3.83Å; F158-E165 HydrophobicContact CE2-CB 4.41Å; F158-E165 HydrophobicContact CE2-CG 4.09Å; F158-E165 HydrophobicContact CG-CB 3.98Å; F158-E165 HydrophobicContact CG-CG 4.27Å; F158-P166 VanDerWaalsContact CZ-CD 3.46Å; F158-P166 HydrophobicContact CZ-CG 4.37Å
159S90.5Very high84.8Confident58 Ų5878.4 Ų78.441%0.40643%0.431SS..THydrogen-bonded Turntrans-59.2-22.8-175.5-650000114.4H156H156-S159 PolarHBondContact N-OG 3.18Å; H156-S159 VanDerWaalsContact O-CB 3.25Å; H156-S159 WeakPolarHBondContact O-CB 3.25Å; H156-S159 PolarHBondContact O-N 3.37Å; H156-S159 PolarHBondContact O-OG 3.06Å; H156-S159 VanDerWaalsContact O-OG 3.06Å
160F90.7Very high82.2Confident39 Ų3978.6 Ų78.617%0.17145%0.448CS..THydrogen-bonded Turntrans-85.9-27.7177.8-53.7-84000112.8W34 I128 I142 T145 I146 L155 F158W34-F160 HydrophobicContact CH2-CE2 4.23Å; W34-F160 HydrophobicContact CZ3-CE2 4.43Å; W34-F160 HydrophobicContact CZ3-CZ 4.46Å; I128-F160 HydrophobicContact CD1-CD2 4.17Å; I128-F160 HydrophobicContact CD1-CE2 3.66Å; I128-F160 HydrophobicContact CD1-CZ 4.28Å; I128-F160 HydrophobicContact CG1-CD2 4.36Å; I128-F160 HydrophobicContact CG1-CE2 4.12Å; I128-F160 HydrophobicContact CG2-CD2 3.58Å; I128-F160 HydrophobicContact CG2-CE2 4.18Å; I128-F160 HydrophobicContact CG2-CG 4.3Å; I142-F160 HydrophobicContact CB-CD1 4.24Å; I142-F160 HydrophobicContact CB-CE1 4.38Å; I142-F160 HydrophobicContact CG1-CB 4.32Å; I142-F160 HydrophobicContact CG1-CD1 3.91Å; I142-F160 HydrophobicContact CG1-CG 4.17Å; I142-F160 HydrophobicContact CG2-CD1 3.99Å; I142-F160 HydrophobicContact CG2-CD2 4.48Å; I142-F160 HydrophobicContact CG2-CE1 3.85Å; I142-F160 HydrophobicContact CG2-CE2 4.35Å; I142-F160 HydrophobicContact CG2-CG 4.3Å; I142-F160 HydrophobicContact CG2-CZ 4.04Å; T145-F160 HydrophobicContact CG2-CE1 3.88Å; I146-F160 HydrophobicContact CD1-CZ 4.14Å; I146-F160 HydrophobicContact CG1-CE1 4.43Å; I146-F160 HydrophobicContact CG1-CZ 3.89Å; L155-F160 HydrophobicContact CD1-CZ 4.21Å; F158-F160 PolarHBondContact O-N 3.18Å
161Y92Very high79.7Confident44 Ų4479.2 Ų79.217%0.17345%0.446CS..  trans-144.675.2179.7-64.7-80.9000110.7A129 I130 P131 T138 I142 F158 E163 L164A129-Y161 WeakPolarHBondContact O-CD2 3.46Å; I130-Y161 HydrophobicContact CB-CD2 4.42Å; I130-Y161 HydrophobicContact CB-CE2 4.2Å; I130-Y161 HydrophobicContact CG2-CD2 4.16Å; I130-Y161 HydrophobicContact CG2-CE2 3.92Å; P131-Y161 HydrophobicContact CG-CD1 3.63Å; P131-Y161 HydrophobicContact CG-CE1 3.67Å; P131-Y161 HydrophobicContact CG-CG 4.13Å; T138-Y161 WeakPolarHBondContact CB-OH 3.44Å; I142-Y161 HydrophobicContact CD1-CE2 4.09Å; F158-Y161 CarbonylContact O-C 3.57Å; F158-Y161 PolarHBondContact O-N 2.68Å; Y161-E163 PolarHBondContact O-N 3.18Å; Y161-E163 VanDerWaalsContact O-N 3.15Å; Y161-L164 HydrophobicContact CG-CD1 4.34Å; Y161-L164 PolarHBondContact O-N 3.04Å
162P90.8Very high77.2Confident88 Ų8880.7 Ų80.757%0.57146%0.463SS*.G310 helixtrans-62.4-22.9-177.3-24.535.7000113.7F158 L164 E165F158-P162 WeakPolarHBondContact O-CA 3.25Å; F158-P162 WeakPolarHBondContact O-CD 3.33Å; P162-L164 PolarHBondContact O-N 3.41Å; P162-E165 WeakPolarHBondContact O-CB 3.19Å; P162-E165 PolarHBondContact O-N 3.44Å; P162-E165 VanDerWaalsContact O-N 3.13Å
163E88.5Confident74.8Confident155 Ų15589.1 Ų89.172%0.72450%0.498SS*.G310 helixtrans-60.6-19.417362.5-179.8-162.300114.4Y161Y161-E163 PolarHBondContact O-N 3.18Å; Y161-E163 VanDerWaalsContact O-N 3.15Å
164L88.6Confident72.4Confident41 Ų4192.9 Ų92.922%0.21552%0.521CS..G310 helixtrans-89.4-3.7177.5-59-178.9000113.2M1 A129 P131 F158 Y161 P162 P166M1-L164 HydrophobicContact CG-CD1 4.23Å; M1-L164 HydrophobicContact SD-CB 4.07Å; M1-L164 HydrophobicContact SD-CD1 4.15Å; A129-L164 HydrophobicContact CB-CB 4.43Å; A129-L164 HydrophobicContact CB-CD1 4.21Å; P131-L164 HydrophobicContact CG-CD1 4.22Å; F158-L164 HydrophobicContact CD1-CB 4.06Å; F158-L164 HydrophobicContact CE1-CB 4.03Å; F158-L164 WeakPolarHBondContact CE1-O 3.42Å; Y161-L164 HydrophobicContact CG-CD1 4.34Å; Y161-L164 PolarHBondContact O-N 3.04Å; P162-L164 PolarHBondContact O-N 3.41Å; L164-P166 WeakPolarHBondContact O-CD 3.21Å
165E87.8Confident70Confident104 Ų104100.3 Ų100.349%0.48655%0.546SS..SBendtrans-70.4127.5-178.9-170.4171.316900111.4F158 P162 T167F158-E165 HydrophobicContact CB-CB 4.36Å; F158-E165 HydrophobicContact CD1-CB 4.25Å; F158-E165 HydrophobicContact CD2-CB 4.05Å; F158-E165 HydrophobicContact CD2-CG 3.83Å; F158-E165 HydrophobicContact CE2-CB 4.41Å; F158-E165 HydrophobicContact CE2-CG 4.09Å; F158-E165 HydrophobicContact CG-CB 3.98Å; F158-E165 HydrophobicContact CG-CG 4.27Å; P162-E165 WeakPolarHBondContact O-CB 3.19Å; P162-E165 PolarHBondContact O-N 3.44Å; P162-E165 VanDerWaalsContact O-N 3.13Å; E165-T167 PolarHBondContact O-N 2.89Å
166P79.4Confident67.6Low95 Ų95105.1 Ų105.162%0.61758%0.581SS**  trans-61.4100.1-179.1-26.835.8000113.5F158 L164 A168F158-P166 VanDerWaalsContact CZ-CD 3.46Å; F158-P166 HydrophobicContact CZ-CG 4.37Å; L164-P166 WeakPolarHBondContact O-CD 3.21Å; P166-A168 PolarHBondContact O-N 2.96Å
167T71Confident65.2Low123 Ų123107.5 Ų107.576%0.75560%0.601SS**  trans-65.7108.9-179.355.90000111.8E165 K169E165-T167 PolarHBondContact O-N 2.89Å; T167-K169 PolarHBondContact O-N 2.85Å
168A55.8Low62.4Low105 Ų105112.9 Ų112.987%0.86863%0.634SS**SBendtrans-74.644-17500000114.6P166P166-A168 PolarHBondContact O-N 2.96Å
169K46.6Very low59.7Low196 Ų196120.9 Ų120.985%0.85267%0.671SS**  trans-138.848.2-169.5-67.7-173.4179175.30114.9T167T167-K169 PolarHBondContact O-N 2.85Å
170S37.5Very low57Low110 Ų110123.4 Ų123.477%0.76969%0.685SS**  trans-143.920175.658.20000116.2
171V34.3Very low54.4Low139 Ų139127.4 Ų127.484%0.84271%0.707SS**  trans-126.483176.2-173.30000111
172S38.8Very low51.9Low116 Ų116132.3 Ų132.381%0.81173%0.732SS**  trans-178.877159.633.40000114.2
173K38.2Very low49.2Very low209 Ų209134.5 Ų134.591%0.90974%0.738SS**  -177.2122.5129.2-103.2164.3-176.1177.80112
174D41.5Very low46.6Very low161 Ų161137 Ų13786%0.86175%0.746SS**  trans-75.5166.3172.8-77.7-72000113.3S176D174-S176 PolarHBondContact O-N 2.79Å
175K37.5Very low43.9Very low213 Ų213139.2 Ų139.293%0.92677%0.77SS**  trans-69.7122.8-179.6-58.9165.7-176.4174.40110.8
176S38.8Very low41.4Very low114 Ų114143.2 Ų143.280%0.79779%0.789SS**  trans-137.6114.8157.865.40000110.8D174D174-S176 PolarHBondContact O-N 2.79Å
177T37.7Very low39.1Very low132 Ų132144.7 Ų144.781%0.8179%0.792SS**  trans-57.1139.4-178.8410000114.9
178V33.6Very low37.3Very low114 Ų114147.4 Ų147.469%0.69179%0.789SS**  trans44.5109.3138.9-167.20000117.5
179H34.5Very low36.2Very low183 Ų183150.2 Ų150.285%0.84779%0.785SS**  -165.8164.1114.4-104.380.1000112.2
180T33.7Very low35.4Very low111 Ų111149.5 Ų149.568%0.68178%0.784SS**  trans-96.3166.4-160.1-30.50000114.1
181N34.9Very low35.2Very low122 Ų122149.8 Ų149.865%0.65279%0.787SS**  trans97.2106.4151.5-67-45.1000121.5
182Q39.7Very low35Very low147 Ų147150.7 Ų150.769%0.68779%0.786SS**  84.5121117.4-68.3177.540.500122.8
183I34.8Very low34.8Very low134 Ų134151.4 Ų151.469%0.68779%0.786SS**  59115.4125.6-54.6167.7000116.5
184K33.6Very low34.3Very low207 Ų207152.7 Ų152.790%0.979%0.787SS**  -166.2175.765.8-145.4154.4-171.3171.50112.7
185A31.9Very low34Very low88 Ų88151.5 Ų151.573%0.72779%0.785SS**  trans-118.7155-171.300000115.2
186Q36.4Very low33.7Very low188 Ų188148 Ų14888%0.87978%0.777SS**  trans-173.7120.8153.5-99.2157.514.600105.9
187N31.5Very low33.6Very low127 Ų127147.9 Ų147.968%0.67977%0.773SS**  cis107.8151.937.1-167.221.4000111.1
188Y31.8Very low33.4Very low179 Ų179151.2 Ų151.270%0.70278%0.777SS**  trans97.499.8172.9-58.2-72.8000121
189Q33.4Very low33.2Very low164 Ų164152 Ų15277%0.76678%0.781SS**  60.594.3129.4-64.3-176.9-71.600122.2
190E29.6Very low33.2Very low181 Ų181149.7 Ų149.785%0.84677%0.774SS**  33.7113.6100-168.6169.6-128.500119.9
191S33.2Very low33Very low117 Ų117150.1 Ų150.182%0.81877%0.773SS**  trans-161.4156.4140.1-25.10000110
192D30.4Very low33Very low157 Ų157153.8 Ų153.884%0.8478%0.779SS**  trans-75.4153.2-167.9-52-94.3000116.7
193V33.3Very low32.6Very low132 Ų132151 Ų15180%0.878%0.775SS**  -177.7136.9117.4146.40000110.3T195V193-T195 PolarHBondContact O-N 2.8Å
194Y29.4Very low32.3Very low236 Ų236149 Ų14993%0.92577%0.773SS**  trans-55131.7179.5-86-104.9000113
195T34.7Very low32.1Very low135 Ų135146.6 Ų146.683%0.82877%0.77SS**  trans-112.9124.1171.8-21.20000111.4V193V193-T195 PolarHBondContact O-N 2.8Å
196N30.5Very low32Very low141 Ų141153.4 Ų153.475%0.75478%0.779SS**PPolyproline II helixtrans-70.1132.2-174.1-165.58.6000112.1K198N196-K198 PolarHBondContact O-N 2.85Å
197P36.5Very low31.8Very low110 Ų110153.1 Ų153.171%0.71478%0.777SS**PPolyproline II helixtrans-60.5129.5169.6-20.532.7000110.4V199P197-V199 PolarHBondContact O-N 2.87Å
198K33.2Very low31.6Very low203 Ų203152.6 Ų152.688%0.88378%0.779SS**PPolyproline II helixtrans-67.1117.6-176.3-65.1177.2-178.5176.70110.5N196 L200N196-K198 PolarHBondContact O-N 2.85Å; K198-L200 PolarHBondContact O-N 2.67Å
199V31.1Very low31.5Very low131 Ų131151.4 Ų151.479%0.79478%0.784SS**PPolyproline II helixtrans-59.2120.7160.6175.60000107.6P197 D201P197-V199 PolarHBondContact O-N 2.87Å; V199-D201 PolarHBondContact O-N 2.89Å
200L34.3Very low31.3Very low134 Ų134151.9 Ų151.970%0.70279%0.786SS**  trans-8391175.5-116.2166.3000108K198 Y202K198-L200 PolarHBondContact O-N 2.67Å; L200-Y202 HydrophobicContact CB-CD2 4.27Å; L200-Y202 HydrophobicContact CB-CE2 4.12Å; L200-Y202 HydrophobicContact CD1-CE2 4.38Å; L200-Y202 HydrophobicContact CD2-CD2 4.48Å; L200-Y202 HydrophobicContact CD2-CE2 4Å; L200-Y202 HydrophobicContact CG-CE2 4.39Å; L200-Y202 WeakPolarHBondContact O-CD2 3.32Å; L200-Y202 PolarHBondContact O-N 2.82Å
201D29.2Very low31.3Very low120 Ų120150.9 Ų150.964%0.64278%0.781SS**  trans-71.893.2-179.4-167.9-4.5000110.6V199 S203V199-D201 PolarHBondContact O-N 2.89Å; D201-S203 PolarHBondContact O-N 3.01Å; D201-S203 WeakPolarHBondContact OD1-CB 3.29Å; D201-S203 PolarHBondContact OD1-N 3.12Å
202Y35.1Very low31.1Very low199 Ų199153.8 Ų153.878%0.7878%0.781SS**  trans-77.14.9174.6-88.3-84.9000113.1L200 S204L200-Y202 HydrophobicContact CB-CD2 4.27Å; L200-Y202 HydrophobicContact CB-CE2 4.12Å; L200-Y202 HydrophobicContact CD1-CE2 4.38Å; L200-Y202 HydrophobicContact CD2-CD2 4.48Å; L200-Y202 HydrophobicContact CD2-CE2 4Å; L200-Y202 HydrophobicContact CG-CE2 4.39Å; L200-Y202 WeakPolarHBondContact O-CD2 3.32Å; L200-Y202 PolarHBondContact O-N 2.82Å; Y202-S204 PolarHBondContact O-N 3.05Å
203S30Very low31.1Very low87 Ų87154.5 Ų154.561%0.60878%0.78SS**  trans-82.637.5-173-161.90000114.8D201D201-S203 PolarHBondContact O-N 3.01Å; D201-S203 WeakPolarHBondContact OD1-CB 3.29Å; D201-S203 PolarHBondContact OD1-N 3.12Å
204S28.4Very low30.9Very low92 Ų92153.2 Ų153.264%0.64378%0.777SS**  trans-151.674.3176.270.40000114.7Y202Y202-S204 PolarHBondContact O-N 3.05Å
205N29.4Very low31Very low157 Ų157150.3 Ų150.384%0.8477%0.769SS**  trans-168.439.7155.4-103.8-24.3000116.4
206Y31Very low30.7Very low232 Ų232153.9 Ų153.991%0.9177%0.767SS**  trans-128.765.8167.5-74.4-68.9000112.2
207Q31.8Very low30.9Very low182 Ų182156.2 Ų156.285%0.8577%0.771SS**SBendtrans-135123.8170.7-157.7166.35300110.1
208T27.2Very low30.7Very low116 Ų116156.3 Ų156.371%0.71277%0.774SS**  trans64.785.9172.7-42.10000116.8
209L29.3Very low30.9Very low153 Ų153152 Ų15280%0.80177%0.767SS**  trans-122.779.5146.1-97.1173.2000110.3
210H29.2Very low31Very low174 Ų174152.9 Ų152.981%0.80676%0.762SS**  trans-65.3130.9144.3-83-103.1000107.1
211H29.3Very low31Very low161 Ų161153.9 Ų153.975%0.74576%0.761SS**  trans-124.1104.1168.1-131.451.4000108.3
212E29.5Very low31.2Very low177 Ų177155.8 Ų155.883%0.82777%0.766SS**  trans-69.9123.9158.1-73.3-174.1116.800107.8S214E212-S214 PolarHBondContact O-N 3.3Å
213E30.5Very low31Very low173 Ų173151.3 Ų151.381%0.80876%0.755SS**  trans-71.7118.3162.8-72.4-169.2106.200109.1
214S29.9Very low31Very low105 Ų105155.9 Ų155.973%0.73476%0.764SS**  trans-135.181.1172.4-87.80000110.8E212 R216E212-S214 PolarHBondContact O-N 3.3Å; S214-R216 PolarHBondContact O-N 2.86Å
215F31.3Very low31.1Very low174 Ų174158.3 Ų158.376%0.76377%0.769SS**  trans-86.9103174.1-100.6-88.3000112
216R29Very low31.1Very low210 Ų210158 Ų15879%0.79277%0.765SS**  trans27.8126.6140.6-42.1179.8-177.9-155.2-1.3116.7S214S214-R216 PolarHBondContact O-N 2.86Å
217K33.7Very low31.1Very low191 Ų191153.3 Ų153.383%0.8376%0.755SS**  -174.414768.8-94.7-176.9176.1175.50114.3
218S32.8Very low31Very low111 Ų111149 Ų14978%0.77675%0.745SS**  trans74.4153.6140.672.30000118.3
219P37.4Very low31.2Very low114 Ų114149.9 Ų149.974%0.7475%0.745SS**  -138.2-156.7-128.139-16.4000115.1
220E33.6Very low31.4Very low149 Ų149148.5 Ų148.570%0.69674%0.743SS**  trans78.8146172.8-52.5-162.8148.800115.7
221K34.1Very low31.6Very low155 Ų155150 Ų15067%0.67474%0.742SS**  cis-155.2148.7-0-125.2157.6-167.6150.10110.6
222H33.1Very low31.9Very low160 Ų160150.4 Ų150.474%0.74174%0.744SS**  trans58.3116.5152.1-93.8-129.6000122.9
223N31.1Very low32Very low104 Ų104146.5 Ų146.556%0.55674%0.736SS**  63.3120.8118.5-67.117.4000123.6
224F29Very low32.2Very low183 Ų183145.6 Ų145.680%0.80374%0.736SS**  trans62156.7143.3-54.4-51.8000117.6
225L31.2Very low32.4Very low143 Ų143146.2 Ų146.275%0.74974%0.737SS**  cis-148.5156.9-6.7-155.667.6000109.4
226M29.7Very low32.4Very low152 Ų152143.2 Ų143.275%0.74973%0.733SS**  trans13149.2154.4-66.5-55.6-171.800124.9
227D30.8Very low32.4Very low133 Ų133138.2 Ų138.271%0.71173%0.731SS**  trans7988.2137-68.4-23.9000124.8
228S30.2Very low32.3Very low90 Ų90134.4 Ų134.463%0.62973%0.728SS**  82.6152.8104.188.30000123.1
229N30.6Very low32.2Very low135 Ų135134.6 Ų134.672%0.72273%0.729SS**  trans62.1102.3157.9-63.1-58.1000118.3
230V34.2Very low31.8Very low125 Ų125134.6 Ų134.676%0.75873%0.732SS**  70.7121.453.9-1760000114.3
231R31.7Very low31.7Very low205 Ų205132.5 Ų132.577%0.77473%0.733SS**  177.8158.1125.7-98.5174.1-168.9-155.32.8114.6
232H36.1Very low31.6Very low169 Ų169130 Ų13078%0.78274%0.736SS**  trans73.4134.3166-55.1-54000117.6
233S32.3Very low31.5Very low95 Ų95129.2 Ų129.266%0.66474%0.737SS**  cis-161.7128-2.947.40000115.7
234L33.8Very low31.5Very low154 Ų154134.8 Ų134.881%0.80675%0.75SS**  trans66.4154.9146-57.3169.3000120.2V236L234-V236 HydrophobicContact CD2-CG2 3.96Å
235P34.3Very low31.6Very low118 Ų118133.8 Ų133.877%0.76675%0.753SS**  cis-96.2139.1-18.61.321.1000111.4
236V32.1Very low31.5Very low111 Ų111134.1 Ų134.167%0.67375%0.752SS**  58.798.983.2-177.40000111.4L234L234-V236 HydrophobicContact CD2-CG2 3.96Å
237S28.4Very low31.7Very low106 Ų106133.5 Ų133.574%0.74175%0.75SS**  cis89.8105.141.5-570000115.1
238S31.3Very low31.7Very low111 Ų111133.2 Ų133.278%0.77675%0.749SS**  trans174135.513644.10000108.9
239S31Very low32.2Very low115 Ų115137.3 Ų137.380%0.80476%0.758SS**  cis85.566.82687.20000116.2
240S29.9Very low32.7Very low113 Ų113137 Ų13779%0.7975%0.752SS**  trans-148.2121.3152.1-156.80000105.8
241S31.2Very low33.5Very low105 Ų105134.4 Ų134.473%0.73473%0.733SS**  cis66.1123.943-55.10000113.7
242S31.4Very low34.3Very low103 Ų103128.3 Ų128.372%0.7272%0.72SS**  trans54.5116.6162.3-840000121.4
243D31Very low35.4Very low144 Ų144126.8 Ų126.877%0.7771%0.714SS**  66.7161.9123.2-62.2-68.9000121.6
244R30.5Very low37.2Very low220 Ų220131.3 Ų131.383%0.8372%0.721SS**  trans56.571.5172.3-72.5-177158.7-132.50.6116.6
245L32.6Very low39.1Very low163 Ų163128.4 Ų128.485%0.85370%0.704SS**  -112.769.8115.6-81.9-178.3000111.1I247L245-I247 PolarHBondContact O-N 3.27Å
246M28.5Very low41.2Very low150 Ų150129.6 Ų129.674%0.73970%0.697SS**  trans-66.471.1155.4-80.5-79.5-165.800109.2N248M246-N248 VanDerWaalsContact C-N 3.27Å; M246-N248 PolarHBondContact O-N 2.79Å
247I34.4Very low43.6Very low138 Ų138130.8 Ų130.871%0.70869%0.693SS**  trans-70.698.2156.8-64.6-177.8000105.4L245 Q249L245-I247 PolarHBondContact O-N 3.27Å; I247-Q249 VanDerWaalsContact C-N 3.27Å; I247-Q249 PolarHBondContact O-N 3.32Å
248N31.1Very low46.3Very low128 Ų128132.3 Ų132.368%0.68469%0.686SS**  trans-60.592169.6-79.6-67.7000108.9M246 H250M246-N248 VanDerWaalsContact C-N 3.27Å; M246-N248 PolarHBondContact O-N 2.79Å; N248-H250 PolarHBondContact O-N 3.33Å
249Q40.1Very low48.9Very low176 Ų176131.6 Ų131.682%0.82267%0.673SS**  trans-64.185.1140.6-74.5-159.125.500106.1I247 L251I247-Q249 VanDerWaalsContact C-N 3.27Å; I247-Q249 PolarHBondContact O-N 3.32Å; Q249-L251 PolarHBondContact O-N 3.34Å
250H41.7Very low51.5Low127 Ų127131.9 Ų131.959%0.58866%0.662SS**  trans-65.283.9170.8172.3-99.3000107N248 P252N248-H250 PolarHBondContact O-N 3.33Å; H250-P252 WeakPolarHBondContact O-CD 3.4Å
251L50.4Low54.4Low71 Ų71131.8 Ų131.837%0.37265%0.651SS.*  trans-53.6109.9174.5-162.384.3000105.7Q249 Q253 H255 L259Q249-L251 PolarHBondContact O-N 3.34Å; L251-Q253 PolarHBondContact O-N 3.07Å; L251-H255 HydrophobicContact CD2-CB 4.19Å; L251-H255 HydrophobicContact CG-CB 4.06Å; L251-L259 HydrophobicContact CD2-CD1 3.6Å
252P48.2Very low57.3Low77 Ų77131.5 Ų131.550%0.564%0.641SS.*  trans-57.1142.3-157.318.2-31.8000109.4H250 K254 H255 K256H250-P252 WeakPolarHBondContact O-CD 3.4Å; P252-K254 CarbonylContact O-C 3.54Å; P252-K254 PolarHBondContact O-N 2.78Å; P252-H255 HydrophobicContact CG-CB 4.21Å; P252-H255 WeakPolarHBondContact O-CA 3.47Å; P252-H255 WeakPolarHBondContact O-CB 3.28Å; P252-H255 PolarHBondContact O-N 3.28Å; P252-K256 PolarHBondContact O-N 3.41Å
253Q59.7Low60.2Low138 Ų138132 Ų13265%0.64563%0.632SS**Hα-helixtrans-50.7-32.7-163-66.5-176.5-3.700114.4L251 H255 K256 K257L251-Q253 PolarHBondContact O-N 3.07Å; Q253-H255 PolarHBondContact O-N 2.99Å; Q253-K256 PolarHBondContact O-N 3.23Å; Q253-K257 WeakPolarHBondContact O-CB 3.36Å; Q253-K257 WeakPolarHBondContact O-CG 3.38Å; Q253-K257 PolarHBondContact O-N 3.47Å
254K69.1Low63Low189 Ų189130 Ų13082%0.82262%0.618SS**Hα-helixtrans-56.8-42.7170.4-71.2-173.7175.3-179.10113.7P252 K258P252-K254 CarbonylContact O-C 3.54Å; P252-K254 PolarHBondContact O-N 2.78Å; K254-K258 WeakPolarHBondContact O-CB 3.42Å; K254-K258 PolarHBondContact O-N 2.96Å
255H74.1Confident65.9Low94 Ų94122.2 Ų122.244%0.43560%0.601SS.*Hα-helixtrans-77-37.9-179.9-152.4153.8000111.9L251 P252 Q253 K258 L259L251-H255 HydrophobicContact CD2-CB 4.19Å; L251-H255 HydrophobicContact CG-CB 4.06Å; P252-H255 HydrophobicContact CG-CB 4.21Å; P252-H255 WeakPolarHBondContact O-CA 3.47Å; P252-H255 WeakPolarHBondContact O-CB 3.28Å; P252-H255 PolarHBondContact O-N 3.28Å; Q253-H255 PolarHBondContact O-N 2.99Å; H255-K258 PolarHBondContact O-N 3.31Å; H255-L259 PolarHBondContact O-N 3.15Å
256K77.9Confident68.7Low143 Ų143120.1 Ų120.162%0.62259%0.587SS**Hα-helixtrans-62.1-45.6169.6-172.8174.7179.5178.50111.1P252 Q253 K258 L259 Q260P252-K256 PolarHBondContact O-N 3.41Å; Q253-K256 PolarHBondContact O-N 3.23Å; K256-K258 VanDerWaalsContact C-N 3.33Å; K256-K258 PolarHBondContact O-N 2.89Å; K256-L259 PolarHBondContact O-N 3.27Å; K256-Q260 WeakPolarHBondContact O-CB 3.47Å; K256-Q260 PolarHBondContact O-N 3.5Å
257K83Confident71.6Confident136 Ų136117.1 Ų117.159%0.59157%0.573SS**Hα-helixtrans-60.8-37.9171.6-75.9-171.8174.8-170.90112.5Q253 Q260 L261Q253-K257 WeakPolarHBondContact O-CB 3.36Å; Q253-K257 WeakPolarHBondContact O-CG 3.38Å; Q253-K257 PolarHBondContact O-N 3.47Å; K257-Q260 PolarHBondContact O-N 3.23Å; K257-L261 VanDerWaalsContact O-CB 3.32Å; K257-L261 WeakPolarHBondContact O-CB 3.41Å; K257-L261 WeakPolarHBondContact O-CG 3.43Å; K257-L261 PolarHBondContact O-N 3.07Å
258K85.5Confident74.2Confident137 Ų137115.8 Ų115.860%0.59657%0.567SS**Hα-helixtrans-64.3-42.6176.3-172.1-178.4178.7-173.70112.4K254 H255 K256 L262K254-K258 WeakPolarHBondContact O-CB 3.42Å; K254-K258 PolarHBondContact O-N 2.96Å; H255-K258 PolarHBondContact O-N 3.31Å; K256-K258 VanDerWaalsContact C-N 3.33Å; K256-K258 PolarHBondContact O-N 2.89Å; K258-L262 VanDerWaalsContact O-CB 3.24Å; K258-L262 WeakPolarHBondContact O-CB 3.18Å; K258-L262 PolarHBondContact O-N 3.45Å
259L84.7Confident76.8Confident97 Ų97114.1 Ų114.151%0.50856%0.558SS.*Hα-helixtrans-65.8-41.2174.8-89.7159000111.8L251 H255 K256 L262 H263L251-L259 HydrophobicContact CD2-CD1 3.6Å; H255-L259 PolarHBondContact O-N 3.15Å; K256-L259 PolarHBondContact O-N 3.27Å; L259-L262 PolarHBondContact O-N 3.09Å; L259-H263 WeakPolarHBondContact O-CB 3.38Å; L259-H263 PolarHBondContact O-N 2.99Å
260Q87.5Confident78.8Confident121 Ų121110.2 Ų110.257%0.56554%0.539SS*.Hα-helixtrans-63.4-48176-171.8168.2-2.200111.8K256 K257 L262 H263 E264K256-Q260 WeakPolarHBondContact O-CB 3.47Å; K256-Q260 PolarHBondContact O-N 3.5Å; K257-Q260 PolarHBondContact O-N 3.23Å; Q260-L262 VanDerWaalsContact C-N 3.3Å; Q260-L262 PolarHBondContact O-N 3.19Å; Q260-H263 PolarHBondContact O-N 3.06Å; Q260-E264 VanDerWaalsContact O-CB 3.25Å; Q260-E264 WeakPolarHBondContact O-CB 3.46Å; Q260-E264 PolarHBondContact O-N 2.84Å
261L90.6Very high80.9Confident110 Ų110111 Ų11158%0.57654%0.541SS*.Hα-helixtrans-63.2-32.3175.1-76.5166000113.1K257 A265K257-L261 VanDerWaalsContact O-CB 3.32Å; K257-L261 WeakPolarHBondContact O-CB 3.41Å; K257-L261 WeakPolarHBondContact O-CG 3.43Å; K257-L261 PolarHBondContact O-N 3.07Å; L261-A265 WeakPolarHBondContact O-CB 3.41Å; L261-A265 PolarHBondContact O-N 2.96Å
262L91.4Very high82.2Confident100 Ų100109.9 Ų109.952%0.52454%0.542SS..Hα-helixtrans-72.1-41.4176.3-172.8151.7000111.2K258 L259 Q260 Q266K258-L262 VanDerWaalsContact O-CB 3.24Å; K258-L262 WeakPolarHBondContact O-CB 3.18Å; K258-L262 PolarHBondContact O-N 3.45Å; L259-L262 PolarHBondContact O-N 3.09Å; Q260-L262 VanDerWaalsContact C-N 3.3Å; Q260-L262 PolarHBondContact O-N 3.19Å; L262-Q266 WeakPolarHBondContact O-CB 3.23Å; L262-Q266 PolarHBondContact O-N 2.87Å
263H92.5Very high83.6Confident114 Ų114111.2 Ų111.253%0.52854%0.541SS..Hα-helixtrans-65.3-43173.2179.146.5000111.8L259 Q260 Q266 L267L259-H263 WeakPolarHBondContact O-CB 3.38Å; L259-H263 PolarHBondContact O-N 2.99Å; Q260-H263 PolarHBondContact O-N 3.06Å; H263-Q266 PolarHBondContact O-N 2.84Å; H263-L267 WeakPolarHBondContact O-CG 3.02Å; H263-L267 PolarHBondContact O-N 2.87Å
264E88.6Confident84.2Confident100 Ų100109.7 Ų109.747%0.46753%0.534SS..Hα-helixtrans-63.3-44.3175.5-174.9172.5-163.700111.9Q260 Q266 L267 L268Q260-E264 VanDerWaalsContact O-CB 3.25Å; Q260-E264 WeakPolarHBondContact O-CB 3.46Å; Q260-E264 PolarHBondContact O-N 2.84Å; E264-Q266 VanDerWaalsContact C-N 3.31Å; E264-Q266 PolarHBondContact O-N 2.84Å; E264-L267 PolarHBondContact O-N 3.09Å; E264-L268 HydrophobicContact CG-CD1 4.4Å; E264-L268 WeakPolarHBondContact O-CB 3.28Å; E264-L268 VanDerWaalsContact O-CG 3.3Å; E264-L268 WeakPolarHBondContact O-CG 3.5Å; E264-L268 PolarHBondContact O-N 3.22Å
265A92.1Very high83.8Confident57 Ų57104.3 Ų104.347%0.47152%0.521SS..Hα-helixtrans-64.2-33.9173.500000112.8L261 L268 L269L261-A265 WeakPolarHBondContact O-CB 3.41Å; L261-A265 PolarHBondContact O-N 2.96Å; A265-L268 PolarHBondContact O-N 3.21Å; A265-L269 WeakPolarHBondContact O-CB 3.33Å; A265-L269 PolarHBondContact O-N 2.82Å
266Q92.1Very high83Confident119 Ų119109.9 Ų109.956%0.55654%0.538SS*.Hα-helixtrans-69.1-43.7174.7-174168.7-3.600111.6L262 H263 E264 L268 L269 E270L262-Q266 WeakPolarHBondContact O-CB 3.23Å; L262-Q266 PolarHBondContact O-N 2.87Å; H263-Q266 PolarHBondContact O-N 2.84Å; E264-Q266 VanDerWaalsContact C-N 3.31Å; E264-Q266 PolarHBondContact O-N 2.84Å; Q266-L268 VanDerWaalsContact C-N 3.31Å; Q266-L268 PolarHBondContact O-N 2.91Å; Q266-L269 PolarHBondContact O-N 2.86Å; Q266-E270 WeakPolarHBondContact O-CB 3.25Å; Q266-E270 PolarHBondContact O-N 2.92Å
267L89.5Confident81.7Confident87 Ų87109.7 Ų109.746%0.45554%0.543SS..Hα-helixtrans-62.4-37173-71.3169.6000112.1H263 E264 K271H263-L267 WeakPolarHBondContact O-CG 3.02Å; H263-L267 PolarHBondContact O-N 2.87Å; E264-L267 PolarHBondContact O-N 3.09Å; L267-K271 WeakPolarHBondContact O-CB 3.24Å; L267-K271 PolarHBondContact O-N 2.91Å
268L87.4Confident79.5Confident111 Ų111114.1 Ų114.158%0.58156%0.556SS**Hα-helixtrans-68.3-38.7174.4-73.7169.9000112.3E264 A265 Q266 A272E264-L268 HydrophobicContact CG-CD1 4.4Å; E264-L268 WeakPolarHBondContact O-CB 3.28Å; E264-L268 VanDerWaalsContact O-CG 3.3Å; E264-L268 WeakPolarHBondContact O-CG 3.5Å; E264-L268 PolarHBondContact O-N 3.22Å; A265-L268 PolarHBondContact O-N 3.21Å; Q266-L268 VanDerWaalsContact C-N 3.31Å; Q266-L268 PolarHBondContact O-N 2.91Å; L268-A272 VanDerWaalsContact O-CB 3.27Å; L268-A272 WeakPolarHBondContact O-CB 3.33Å; L268-A272 PolarHBondContact O-N 2.88Å
269L86.6Confident77.4Confident93 Ų93111 Ų11149%0.48756%0.556SS.*Hα-helixtrans-66.1-44.6174.6179.261.4000111.6A265 Q266 A272 Q273A265-L269 WeakPolarHBondContact O-CB 3.33Å; A265-L269 PolarHBondContact O-N 2.82Å; Q266-L269 PolarHBondContact O-N 2.86Å; L269-A272 PolarHBondContact O-N 2.93Å; L269-Q273 WeakPolarHBondContact O-CG 3.06Å; L269-Q273 PolarHBondContact O-N 2.83Å
270E82.9Confident75.1Confident93 Ų93111.6 Ų111.644%0.43557%0.566SS.*Hα-helixtrans-60.4-46.3175.7-169.6-172.6150.700110.9Q266 A272 Q273 Q274Q266-E270 WeakPolarHBondContact O-CB 3.25Å; Q266-E270 PolarHBondContact O-N 2.92Å; E270-A272 VanDerWaalsContact C-N 3.34Å; E270-A272 PolarHBondContact O-N 3.42Å; E270-Q273 PolarHBondContact O-N 3.07Å; E270-Q274 WeakPolarHBondContact O-CG 3.46Å; E270-Q274 PolarHBondContact O-N 3.44Å; E270-Q274 PolarHBondContact OE1-NE2 2.88Å
271K84.1Confident73.1Confident145 Ų145112 Ų11263%0.6358%0.576SS**Hα-helixtrans-65-34.6176.3-167.9171.7-175.6177.10112.9L267 S275L267-K271 WeakPolarHBondContact O-CB 3.24Å; L267-K271 PolarHBondContact O-N 2.91Å; K271-S275 PolarHBondContact O-N 3.2Å; K271-S275 PolarHBondContact O-OG 3.18Å
272A79.6Confident70.7Confident46 Ų46114 Ų11438%0.3859%0.586SS.*Hα-helixtrans-69.6-36.9174.100000112.5L268 L269 E270 S275 R276L268-A272 VanDerWaalsContact O-CB 3.27Å; L268-A272 WeakPolarHBondContact O-CB 3.33Å; L268-A272 PolarHBondContact O-N 2.88Å; L269-A272 PolarHBondContact O-N 2.93Å; E270-A272 VanDerWaalsContact C-N 3.34Å; E270-A272 PolarHBondContact O-N 3.42Å; A272-S275 WeakPolarHBondContact CA-OG 3.5Å; A272-S275 PolarHBondContact O-N 2.98Å; A272-S275 PolarHBondContact O-OG 3.45Å; A272-R276 PolarHBondContact O-N 2.98Å
273Q77Confident68.5Low106 Ų106113.4 Ų113.450%0.49559%0.59SS.*Hα-helixtrans-66-45.1172.3-73.7173.2-20.100110.9L269 E270 S275 R276 N277L269-Q273 WeakPolarHBondContact O-CG 3.06Å; L269-Q273 PolarHBondContact O-N 2.83Å; E270-Q273 PolarHBondContact O-N 3.07Å; Q273-S275 VanDerWaalsContact C-N 3.34Å; Q273-S275 PolarHBondContact O-N 2.84Å; Q273-R276 PolarHBondContact O-N 2.92Å; Q273-N277 PolarHBondContact O-N 3.46Å
274Q72.9Confident66.6Low105 Ų105113.4 Ų113.449%0.49160%0.6SS.*Hα-helixtrans-57.1-45.2172.4-70.6169.910.500111.4E270 R276 N277 W278E270-Q274 WeakPolarHBondContact O-CG 3.46Å; E270-Q274 PolarHBondContact O-N 3.44Å; E270-Q274 PolarHBondContact OE1-NE2 2.88Å; Q274-R276 PolarHBondContact O-N 3.38Å; Q274-N277 PolarHBondContact O-N 3.03Å; Q274-W278 VanDerWaalsContact O-CD1 3.27Å
275S60.5Low65.1Low77 Ų77114 Ų11454%0.53861%0.613SS.*Hα-helixtrans-67.1-31.7178.462.70000114K271 A272 Q273 N277 W278K271-S275 PolarHBondContact O-N 3.2Å; K271-S275 PolarHBondContact O-OG 3.18Å; A272-S275 WeakPolarHBondContact CA-OG 3.5Å; A272-S275 PolarHBondContact O-N 2.98Å; A272-S275 PolarHBondContact O-OG 3.45Å; Q273-S275 VanDerWaalsContact C-N 3.34Å; Q273-S275 PolarHBondContact O-N 2.84Å; S275-N277 PolarHBondContact O-N 2.88Å; S275-W278 PolarHBondContact O-N 2.79Å
276R55.8Low63.6Low211 Ų211116.7 Ų116.780%0.79663%0.626SS**Hα-helixtrans-65.7-27.8175.4-86.2-174169.9-175.8-2.9112.9A272 Q273 Q274 W278A272-R276 PolarHBondContact O-N 2.98Å; Q273-R276 PolarHBondContact O-N 2.92Å; Q274-R276 PolarHBondContact O-N 3.38Å; R276-W278 PolarHBondContact O-N 2.85Å
277N51.8Low61.9Low138 Ų138116.3 Ų116.374%0.73863%0.633SS**THydrogen-bonded Turntrans-78.7-1.8177-66.42.3000113.5Q273 Q274 S275Q273-N277 PolarHBondContact O-N 3.46Å; Q274-N277 PolarHBondContact O-N 3.03Å; S275-N277 PolarHBondContact O-N 2.88Å
278W37.1Very low60.3Low229 Ų229118 Ų11887%0.86765%0.65SS**THydrogen-bonded Turntrans-105.67.2178.6-78.562.7000113.7Q274 S275 R276 P280Q274-W278 VanDerWaalsContact O-CD1 3.27Å; S275-W278 PolarHBondContact O-N 2.79Å; R276-W278 PolarHBondContact O-N 2.85Å; W278-P280 WeakPolarHBondContact O-CD 3.28Å
279A40.1Very low58.7Low71 Ų71119.4 Ų119.459%0.58766%0.662SS**SBendtrans-70.9117.8164.800000109V281A279-V281 PolarHBondContact O-N 2.9Å; A279-V281 VanDerWaalsContact O-N 3.1Å
280P38Very low56.9Low110 Ų110123.3 Ų123.371%0.71468%0.678SS**  trans-68.1113.4177.227.5-32.6000109W278 I282W278-P280 WeakPolarHBondContact O-CD 3.28Å; P280-I282 VanDerWaalsContact C-N 3.31Å; P280-I282 PolarHBondContact O-N 2.81Å
281V43.8Very low55.1Low129 Ų129124.6 Ų124.678%0.78270%0.695SS**  trans-69.295.4167.5179.20000107A279 S283A279-V281 PolarHBondContact O-N 2.9Å; A279-V281 VanDerWaalsContact O-N 3.1Å; V281-S283 PolarHBondContact O-N 3.25Å
282I40.8Very low52.8Low153 Ų153124.6 Ų124.679%0.78570%0.701SS**  trans-70.885.9170.6-56.4177.8000106.8P280P280-I282 VanDerWaalsContact C-N 3.31Å; P280-I282 PolarHBondContact O-N 2.81Å
283S45Very low50.9Low87 Ų87129.6 Ų129.661%0.60872%0.72SS**PPolyproline II helixtrans-53.9132.8168.1-62.20000108.9V281V281-S283 PolarHBondContact O-N 3.25Å
284P53.7Low48.8Very low114 Ų114130.5 Ų130.574%0.7473%0.732SS**PPolyproline II helixtrans-59.4138.8172.726.2-33.5000109
285P57.1Low47.1Very low114 Ų114129.2 Ų129.274%0.7475%0.747SS**PPolyproline II helixtrans-63.1143.1-177.926.2-34.3000110.6
286P59.6Low45.7Very low113 Ų113131.9 Ų131.973%0.73476%0.761SS**PPolyproline II helixtrans-62.8148.217328.3-34.5000110.3
287P56.5Low44.9Very low110 Ų110128.9 Ų128.971%0.71476%0.759SS**PPolyproline II helixtrans-62.3144.817627.2-34.4000110.8V289P287-V289 PolarHBondContact O-N 3.1Å
288P56.3Low44.3Very low123 Ų123128.7 Ų128.780%0.79976%0.758SS**PPolyproline II helixtrans-69116.2-174.927.3-34.3000111.5
289V53.6Low44.2Very low140 Ų140123.5 Ų123.585%0.84876%0.757SS**PPolyproline II helixtrans-78.6124.7170.1-177.80000108.7P287P287-V289 PolarHBondContact O-N 3.1Å
290Q48.6Very low44.4Very low175 Ų175125.4 Ų125.482%0.81876%0.763SS**PPolyproline II helixtrans-76.7139.2178.1-61.9-179.910.600110.6L292Q290-L292 PolarHBondContact O-N 3.11Å
291P44.5Very low44.3Very low121 Ų121128.8 Ų128.879%0.78677%0.769SS**PPolyproline II helixtrans-79.2119.1179.430.9-32.9000111.1
292L36.4Very low44.1Very low145 Ų145129.6 Ų129.676%0.75977%0.769SS**PPolyproline II helixtrans-85.8124.1164-169.766.6000109.2Q290Q290-L292 PolarHBondContact O-N 3.11Å
293I39.6Very low44Very low151 Ų151126.9 Ų126.977%0.77476%0.764SS**PPolyproline II helixtrans-90.5127.2-175.8-58.1168.9000109.4
294T34.1Very low43.8Very low124 Ų124130.6 Ų130.676%0.76177%0.771SS**  trans-127.6115.9164.647.50000110
295G35.9Very low43.1Very low78 Ų78132.8 Ų132.880%0.80478%0.775SS**  trans-124.4114.5178.400000110.7
296T32Very low42Very low134 Ų134132.5 Ų132.582%0.82277%0.773SS**  trans-87138.8178.1-46.10000111
297I38.6Very low40.7Very low147 Ų147132.2 Ų132.275%0.75477%0.774SS**  trans-163.6130.3154.5-109.8151000112.9
298N38.9Very low39.9Very low135 Ų135132.3 Ų132.372%0.72278%0.775SS**  trans46.5114.6153.2-52.7-6.9000120.6
299S34.3Very low39Very low120 Ų120134 Ų13484%0.83978%0.777SS**  78.6151.874.7-81.90000115.9
300P44.3Very low38.3Very low111 Ų111132.1 Ų132.172%0.72177%0.767SS**  trans-123.5-178.4-133.344-33.4000115.1
301E37.6Very low37.7Very low180 Ų180128.1 Ų128.184%0.84176%0.759SS**  179.1160.1127.9-99.5167.2-177.900112.8
302D39.1Very low37.3Very low147 Ų147126.9 Ų126.979%0.78675%0.749SS**  trans42.7105156.6-78.7-1.4000123.4
303S38.3Very low37.3Very low96 Ų96131.1 Ų131.167%0.67176%0.755SS**  117.3146.6104.477.30000120.3
304H40.8Very low37.2Very low164 Ų164128.2 Ų128.276%0.75975%0.749SS**  trans67.8129.1154.3-72.7-61.1000122.9
305I38.2Very low37.3Very low160 Ų160127.3 Ų127.382%0.82175%0.747SS**  trans84.9141.6149.7-65.2160.7000116.6
306P34.4Very low37.5Very low109 Ų109131.3 Ų131.371%0.70875%0.745SS**  trans-116.9179.9-159.443.7-31.2000115.5
307S33.6Very low37.7Very low107 Ų107131.7 Ų131.775%0.74874%0.741SS**  trans7.1159.6138.6-59.30000121.4
308P39.1Very low37.7Very low112 Ų112129.5 Ų129.573%0.72774%0.739SS**  cis-146.7171.7-25.339.5-21.4000116.5
309N38.1Very low37.7Very low158 Ų158128 Ų12885%0.84574%0.736SS**  trans62-167.7152.7-119.4-7.5000115.4
310P39Very low37.6Very low100 Ų100127 Ų12765%0.64973%0.73SS**  cis-132.9160.3-941.5-25.1000117.8
311S35Very low37Very low92 Ų92131.9 Ų131.964%0.64373%0.734SS**  trans54.9161.613376.50000126.7
312T36.5Very low36.9Very low95 Ų95127.7 Ų127.758%0.58373%0.725SS**  trans74.3144.915135.30000119.7
313W36.3Very low36.6Very low233 Ų233125.9 Ų125.988%0.88372%0.723SS**  cis-123.5147.3-1.6-80.2-67.2000110.1
314S36.9Very low36.5Very low91 Ų91126 Ų12664%0.63672%0.722SS**  cis90.4123.333.6-56.20000115.7
315S37.6Very low36.1Very low104 Ų104126.1 Ų126.173%0.72772%0.723SS**  trans178.8150.4140.3-820000110.2
316Q38.1Very low35.8Very low162 Ų162124.3 Ų124.376%0.75771%0.714SS**  cis-169.1151.7-18.2-93.3176.671.800104
317L37.7Very low36Very low142 Ų142123.1 Ų123.174%0.74371%0.707SS**  cis-160.9178.6-10.1-99.5171.9000105.7
318S37.7Very low35.7Very low102 Ų102123.7 Ų123.771%0.71371%0.706SS**  cis-153.41668-1340000110.6
319P39.5Very low35.2Very low102 Ų102124.9 Ų124.966%0.66271%0.706SS**  trans-128.5-167.2-16344.3-30.4000115.6
320S32.1Very low34.8Very low101 Ų101122.2 Ų122.271%0.70670%0.695SS**  trans82.4159.4154.780.70000116.7
321R31.4Very low34.2Very low213 Ų213124 Ų12480%0.80470%0.698SS**  cis-167.5154.825.1-153161.3-175.5-92.86.1113.2
322S36.5Very low33.9Very low92 Ų92124.6 Ų124.664%0.64370%0.695SS**  trans65.3153.4159.420.70000117.2
323S32.7Very low33.6Very low109 Ų109126.2 Ų126.276%0.76270%0.695SS**  cis-162.3151.3-8.4-174.20000109.4
324P35.9Very low33.3Very low99 Ų99121.1 Ų121.164%0.64368%0.681SS**  trans-94.4-172.4-178.337.2-34.3000113.9
325H32Very low32.9Very low166 Ų166123.9 Ų123.977%0.76968%0.684SS**  trans78.2146172.7-69.1-68.3000116.8
326D31Very low32.7Very low121 Ų121126.1 Ų126.165%0.64768%0.683SS**  cis-153.7-131.5-16.5-169.524.8000110.2
327P38.8Very low32.3Very low85 Ų85125.5 Ų125.555%0.55268%0.679SS**  trans-118-168.9-131.839.4-21.4000114.9
328T28.6Very low32.1Very low119 Ų119125.1 Ų125.173%0.7368%0.678SS**  trans68.6171156.235.50000117.2
329D28.3Very low31.7Very low137 Ų137124.2 Ų124.273%0.73367%0.671SS**  trans72.6139.8148.4-8220.4000120.3
330V28.5Very low31.4Very low102 Ų102128.5 Ų128.562%0.61868%0.676SS**  cis-156.8137.1-21.583.20000110.9
331L27.8Very low31.5Very low136 Ų136130.7 Ų130.771%0.71268%0.675SS**  trans61.3179.8150.7-118.860.9000116.9
332N27.8Very low31.4Very low105 Ų105125.5 Ų125.556%0.56166%0.663SS**  trans59.7135.7141.2-67.64000121.9
333H30.4Very low31.1Very low130 Ų130127.1 Ų127.160%0.60266%0.66SS**  cis-166152.6-5.9-120.6-14.5000112.1
334H29.8Very low30.9Very low125 Ų125130 Ų13058%0.57966%0.659SS**  trans61.6143141.2-78.9124.5000122.1
335Q29Very low30.5Very low149 Ų149130.2 Ų130.270%0.69666%0.663SS**  trans69.8141.7138.1-73.5157.19.400117.3
336H32.8Very low30.9Very low152 Ų152127.2 Ų127.270%0.70466%0.658SS**  cis-140.1162.8-2.1-98.8-73.3000105.9
337H30.9Very low30.6Very low148 Ų148127.8 Ų127.869%0.68567%0.666SS**  cis165172.3-6176.8-121.8000105.8
338L32Very low30.1Very low135 Ų135127.5 Ų127.571%0.70767%0.67SS**  trans72.8107.3178.2-48.8176.2000114.3
339S29.5Very low30.1Very low83 Ų83129.4 Ų129.458%0.5867%0.671SS**  74.5132.161.5760000112.6
340Y33.6Very low30Very low192 Ų192130.5 Ų130.575%0.75367%0.67SS**  cis-134.3139.134.1-96-103.8000110.7
341E33.7Very low30.1Very low147 Ų147134.4 Ų134.469%0.68768%0.68SS**  66.4145.783.8-82.4-144.4120.900116.1
342N29.3Very low30.3Very low104 Ų104131.7 Ų131.756%0.55669%0.686SS**  cis-162.4149.2-22.2-138.4-23.5000112.5
343Q29.9Very low30.6Very low125 Ų125135.2 Ų135.258%0.58470%0.699SS**  trans47.4140.9142-90.1170.67900125.7
344K29.5Very low31.1Very low171 Ų171133.5 Ų133.574%0.74370%0.699SS**  trans78.6136.5145.4-71.3162.7173.3151.10118.5
345S27.9Very low31.2Very low103 Ų103133.5 Ų133.572%0.7271%0.708SS**  cis83.6141.727.5-172.70000114.1
346P38.9Very low31.5Very low102 Ų102132.7 Ų132.766%0.66271%0.713SS**  cis-141.1-174.6-25.337-18.2000114.9
347V26.6Very low31.5Very low134 Ų134132.2 Ų132.281%0.81272%0.715SS**  trans68.1146.9144.3156.40000120
348A26.8Very low32Very low79 Ų79130.5 Ų130.565%0.65372%0.717SS**  trans69.4152.9164.200000117.1
349Q29.1Very low32.7Very low159 Ų159128.5 Ų128.574%0.74371%0.713SS**  cis-160151.9-10.2-117.4173.5-45.300111
350F27Very low32.7Very low160 Ų160133 Ų13370%0.70272%0.722SS**  trans49.5139.3147.3-79.3-61.3000125.3
351H29.8Very low32.5Very low183 Ų183130 Ų13085%0.84772%0.719SS**  trans65.5128.8148.2-67.8-58.6000120.8
352G32.8Very low32.4Very low80 Ų80134.7 Ų134.783%0.82573%0.73SS**  trans170.134.4170.900000120
353E33.3Very low32.7Very low179 Ų179135 Ų13584%0.83674%0.741SS**  trans-51.8168.8165.5-80-103.1115.900114.4
354P40.1Very low33.1Very low94 Ų94133.8 Ų133.861%0.6174%0.744SS**  cis-145.1-166.2-21.231.5-6.7000115.8
355V32.1Very low33.1Very low124 Ų124136.7 Ų136.775%0.75275%0.75SS**  trans63.6154159.4-99.40000119.7
356V37Very low33.4Very low133 Ų133134.2 Ų134.281%0.80673%0.732SS**  cis-133.9155.912.7-169.90000113.4
357D31.8Very low33Very low142 Ų142134.8 Ų134.876%0.75973%0.73SS**  trans-51.3171.5-176.6-74.1-60.9000122.6
358P42.3Very low33.2Very low112 Ų112130.9 Ų130.973%0.72771%0.709SS**  trans-110.2-134.2-175.344.8-32000111.4
359P45Very low33.4Very low93 Ų93131.1 Ų131.160%0.60470%0.702SS**  cis-128.6-179.6-33.636.9-19.4000114.1
360F29.9Very low33.3Very low178 Ų178130 Ų13078%0.78169%0.691SS**  157.5139.8126.1-97.4-69.2000116.7
361N28.9Very low33.4Very low129 Ų129127.7 Ų127.769%0.6969%0.685SS**  trans38.6115.1146.7-73.6-13.3000121.7
362R31.6Very low33.5Very low244 Ų244121.9 Ų121.992%0.92166%0.663SS**  -172.7146.293.9-95.5166.7-152.8-98.31.6113.3
363S35.8Very low33.4Very low112 Ų112119.7 Ų119.778%0.78364%0.635SS**  trans-83.9177.7163-146.60000109.3
364P38.9Very low33.4Very low98 Ų98115.8 Ų115.864%0.63662%0.623SS**  cis-146.6-169.412.745.6-26000117.6
365R30.5Very low33.1Very low232 Ų232115.6 Ų115.688%0.87562%0.616SS**  trans71.4156.5159.1-73179.3-177-159.7-2.2117
366S32.7Very low33.1Very low51 Ų51113.1 Ų113.136%0.35762%0.616SS.*  cis-164.4-161.4-22.341.10000108.7H618 D619S366-H618 PolarHBondContact O-CD2 3.41Å; S366-D619 VanDerWaalsContact CB-OD1 3.27Å; S366-D619 WeakPolarHBondContact CB-OD1 3.41Å; S366-D619 PolarHBondContact OG-OD1 3.44Å
367D31.4Very low33Very low115 Ų115112 Ų11262%0.61561%0.614SS**  -154.1159.5-78.4-179.931.5000110.2H618 D619D367-H618 WeakPolarHBondContact CA-NE2 3.44Å; D367-D619 PolarHBondContact N-OD1 3.4Å; D367-D619 VanDerWaalsContact N-OD1 3.11Å; D367-D619 PolarHBondContact O-N 2.84Å
368S30.7Very low33.2Very low51 Ų51110.7 Ų110.736%0.35762%0.616SS.*  trans157.6151159.7-68.30000113.8H618S368-H618 PolarHBondContact N-CE1 3.4Å; S368-H618 PolarHBondContact N-ND1 3.28Å; S368-H618 PolarHBondContact O-CE1 3.23Å; S368-H618 PolarHBondContact O-ND1 3.05Å
369T30.6Very low32.8Very low85 Ų85114.7 Ų114.752%0.52163%0.625SS.*  trans31.7144.5142.164.60000120.6D616 Y617T369-D616 WeakPolarHBondContact O-CA 3.46Å; T369-D616 WeakPolarHBondContact O-CB 3.41Å; T369-Y617 PolarHBondContact O-N 2.86Å
370R27.8Very low32.4Very low136 Ų136118.3 Ų118.351%0.51364%0.639SS.*  cis-153.8-14738.8-157.9133.7158-75.7-6.6108.3E614 D615 D616R370-E614 PolarHBondContact NH1-O 3.03Å; R370-D615 WeakPolarHBondContact CD-O 3.07Å; R370-D615 PolarHBondContact NH1-O 3.13Å; R370-D616 WeakPolarHBondContact CA-OD1 3.39Å; R370-D616 VanDerWaalsContact CB-OD1 3.24Å; R370-D616 WeakPolarHBondContact CB-OD1 3.43Å; R370-D616 PolarHBondContact N-OD1 2.83Å
371L28.7Very low32.5Very low110 Ų110115.7 Ų115.758%0.57664%0.643SS**  -128-161.3-102.7-104.7175.7000114E614L371-E614 WeakPolarHBondContact O-CG 3.21Å
372V31.4Very low32.6Very low61 Ų61115.1 Ų115.137%0.3765%0.649SS.*  90.561.4123.2130.50000121.1K613V372-K613 WeakPolarHBondContact CG1-O 3.46Å
373S31.2Very low32.9Very low35 Ų35106.6 Ų106.625%0.24564%0.637CS.*  86.4117.5128.754.60000123.5D611 Q612S373-D611 WeakPolarHBondContact CB-OD1 3.22Å; S373-Q612 WeakPolarHBondContact OG-CA 3.17Å; S373-Q612 WeakPolarHBondContact OG-CG 3.49Å; S373-Q612 PolarHBondContact OG-N 2.73Å
374T34Very low33Very low97 Ų97105.6 Ų105.660%0.59563%0.628SS**  88154.687.9-37.60000109.9D611T374-D611 VanDerWaalsContact CB-CG 3.41Å; T374-D611 VanDerWaalsContact CB-OD1 3.24Å; T374-D611 WeakPolarHBondContact CB-OD1 3.44Å; T374-D611 WeakPolarHBondContact CG2-OD2 3.26Å; T374-D611 PolarHBondContact OG1-OD1 2.92Å
375I32Very low33Very low90 Ų90110.8 Ų110.846%0.46264%0.641SS.*  cis-153.9153.132-25.3178.4000114.1L609 D611I375-L609 HydrophobicContact CD1-CD1 4.48Å; I375-L609 HydrophobicContact CD1-CD2 3.91Å; I375-L609 HydrophobicContact CD1-CG 3.93Å; I375-L609 HydrophobicContact CG2-CD1 3.79Å; I375-L609 HydrophobicContact CG2-CD2 4.08Å; I375-L609 HydrophobicContact CG2-CG 4.24Å; I375-D611 HydrophobicContact CD1-CB 4.14Å; I375-D611 HydrophobicContact CG1-CB 4.15Å
376G33.4Very low33.3Very low72 Ų72106.1 Ų106.174%0.74263%0.629SS**  trans112.7138.9145.300000117.2
377S34.7Very low33.5Very low109 Ų109113.9 Ų113.976%0.76265%0.65SS**  cis-162.3171-12.270.10000111.9
378S36.1Very low33.9Very low115 Ų115112.1 Ų112.180%0.80464%0.64SS**  trans80.6119.7164-50.90000119.4
379Q34.7Very low34.4Very low195 Ų195114.2 Ų114.291%0.91165%0.65SS**  trans-141.3127.2164.1-86.2-167.6-26.800109.7
380D35.9Very low34.8Very low169 Ų169112.7 Ų112.790%0.90464%0.639SS**  trans-83.2139.7163.7-89.4-52.5000110.9
381S31.2Very low35.4Very low124 Ų124111.3 Ų111.387%0.86764%0.637SS**  trans-113.881.8-168.653.90000114
382S32.3Very low36.1Very low117 Ų117108 Ų10882%0.81862%0.619SS**  trans-124.752.9172.556.40000113.1
383G37.9Very low36.5Very low65 Ų65109.3 Ų109.367%0.6763%0.631SS**  trans-62.7148.7179.800000114.2
384P37.1Very low37.3Very low90 Ų90114.8 Ų114.858%0.58465%0.646SS**  trans-66.3145-176.627.2-34.9000112.6Q386P384-Q386 PolarHBondContact O-N 3.39Å
385K38.5Very low37.8Very low208 Ų208114.3 Ų114.390%0.90465%0.647SS**  trans-64.3103.7-179-68.8176-179.4171.80111R387K385-R387 PolarHBondContact O-N 2.94Å
386Q37.9Very low37.9Very low133 Ų133114.2 Ų114.262%0.62165%0.654SS**  trans-57.4119.7177.6-69.5179.4-24.800111.2P384P384-Q386 PolarHBondContact O-N 3.39Å
387R36.8Very low38.1Very low214 Ų214116.4 Ų116.481%0.80866%0.657SS**  trans-115.299-178.7-173.3178.8-175174.52.7110.4K385 V389K385-R387 PolarHBondContact O-N 2.94Å; R387-V389 PolarHBondContact O-N 2.9Å
388I39.9Very low37.9Very low79 Ų79115.2 Ų115.241%0.40566%0.662SS.*  trans-65.2133.1171.6-70.2-173.5000109.8L390 I1154I388-L390 HydrophobicContact CG2-CD1 3.83Å; I388-L390 HydrophobicContact CG2-CG 3.72Å; I388-I1154 HydrophobicContact CD1-CB 4.27Å; I388-I1154 HydrophobicContact CD1-CG1 3.54Å
389V40Very low37.8Very low95 Ų95115.6 Ų115.658%0.57666%0.664SS**  trans-116.194.3176.9-178.60000109.4R387 K391R387-V389 PolarHBondContact O-N 2.9Å; V389-K391 PolarHBondContact O-N 2.81Å
390L39.9Very low37.6Very low53 Ų53115.1 Ų115.128%0.27766%0.662SS.*  trans-8595.4178.5-75.2148.3000110.7I388 L392 A1153 M1156I388-L390 HydrophobicContact CG2-CD1 3.83Å; I388-L390 HydrophobicContact CG2-CG 3.72Å; L390-L392 PolarHBondContact O-N 2.84Å; L390-L392 VanDerWaalsContact O-N 3.13Å; L390-A1153 HydrophobicContact CD1-CB 4.17Å; L390-M1156 HydrophobicContact CD1-CE 3.55Å; L390-M1156 HydrophobicContact CD2-CE 4.09Å; L390-M1156 HydrophobicContact CG-CE 4.37Å
391K40.6Very low37.2Very low107 Ų107115.5 Ų115.547%0.46566%0.663SS.*  trans-86.774-178.2-164.9169.8-176169.40111.7D95 V389 L1205D95-K391 IonicContact OD2-NZ 3.55Å; D95-K391 PolarHBondContact OD2-NZ 2.63Å; V389-K391 PolarHBondContact O-N 2.81Å; K391-L1205 HydrophobicContact CB-CD1 4.08Å
392L42.2Very low37Very low39 Ų39114.5 Ų114.520%0.20466%0.656CS.*  trans-88.1141.6-179.6-57.3178.8000112.2L390 F1141 I1145 I1206 F1208L390-L392 PolarHBondContact O-N 2.84Å; L390-L392 VanDerWaalsContact O-N 3.13Å; L392-F1141 HydrophobicContact CB-CE2 4.24Å; L392-F1141 HydrophobicContact CB-CZ 3.96Å; L392-F1141 HydrophobicContact CD1-CE2 4.31Å; L392-I1145 HydrophobicContact CB-CD1 4.25Å; L392-I1145 HydrophobicContact CD1-CD1 4.47Å; L392-I1145 HydrophobicContact CD1-CG1 4.06Å; L392-I1206 WeakPolarHBondContact CD2-O 3.3Å; L392-F1208 HydrophobicContact CD1-CE1 3.8Å; L392-F1208 HydrophobicContact CD1-CZ 3.73Å; L392-F1208 HydrophobicContact CD2-CD1 4.2Å; L392-F1208 HydrophobicContact CD2-CE1 3.54Å; L392-F1208 HydrophobicContact CD2-CZ 4.24Å; L392-F1208 HydrophobicContact CG-CE1 4.35Å
393S41.6Very low36.9Very low89 Ų89115.8 Ų115.862%0.62266%0.659SS**  trans-124.5138.1-176.957.20000112.4S395S393-S395 PolarHBondContact O-N 3.01Å
394R47.3Very low36.4Very low151 Ų151118.1 Ų118.157%0.5767%0.665SS**  trans-8194.3177.7-71.5177.472.3-1782.2110.8S396 E1138 F1141R394-S396 PolarHBondContact O-N 2.68Å; R394-S396 VanDerWaalsContact O-N 3.11Å; R394-E1138 IonicContact CZ-OE2 2.88Å; R394-E1138 IonicContact NH2-OE2 3.16Å; R394-E1138 PolarHBondContact NH2-OE2 2.83Å; R394-F1141 HydrophobicContact CG-CD1 4.23Å; R394-F1141 HydrophobicContact CG-CE1 3.53Å; R394-F1141 HydrophobicContact CG-CZ 4.26Å
395S43.1Very low35.9Very low87 Ų87119.7 Ų119.761%0.60868%0.678SS**  trans-8452.9175.749.70000113S393 C397S393-S395 PolarHBondContact O-N 3.01Å; S395-C397 PolarHBondContact O-N 3.05Å; S395-C397 VanDerWaalsContact O-N 3.17Å
396S34.7Very low35.6Very low87 Ų87115.3 Ų115.361%0.60867%0.673SS**  trans-8870-177.762.80000113.1R394R394-S396 PolarHBondContact O-N 2.68Å; R394-S396 VanDerWaalsContact O-N 3.11Å
397C37.3Very low35.3Very low118 Ų118117.9 Ų117.980%0.79769%0.686SS**  trans-138.3109.1164.457.30000111.7S395 S399S395-C397 PolarHBondContact O-N 3.05Å; S395-C397 VanDerWaalsContact O-N 3.17Å; C397-S399 PolarHBondContact O-N 2.93Å
398G30.9Very low35Very low84 Ų84112.7 Ų112.787%0.86668%0.68SS**  trans-82.8112.8177.700000112.1
399S35Very low34.6Very low123 Ų123117.4 Ų117.486%0.8670%0.704SS**  trans-150.3100.5161.2-80.80000108.2C397C397-S399 PolarHBondContact O-N 2.93Å
400Q28.8Very low34.2Very low186 Ų186122 Ų12287%0.86972%0.72SS**  trans-88.3116.8-176.1-178.7-176.315.800110.4
401L29.2Very low33.8Very low176 Ų176126.6 Ų126.692%0.92175%0.745SS**  trans-140.2129.2160.1-76.4-179.9000109.3
402S26.3Very low33.4Very low104 Ų104128.9 Ų128.973%0.72776%0.757SS**  trans-127122.1179.251.60000108.9
403V30.2Very low33.1Very low144 Ų144131.7 Ų131.787%0.87378%0.78SS**  trans-141.3133.3166.7-170.20000107.7
404S28Very low33.1Very low113 Ų113133.6 Ų133.679%0.7978%0.782SS**  trans-82.4164177.4-58.90000111.8
405S25.5Very low32.7Very low123 Ų123131.7 Ų131.786%0.8678%0.779SS**  trans-61.5134.1179.1-173.60000112.9
406S32.9Very low32.6Very low116 Ų116138.1 Ų138.181%0.81179%0.79SS**  trans-159.3152.6162-77.60000109.7
407Q31.3Very low33Very low188 Ų188137.7 Ų137.788%0.87979%0.787SS**  trans-73.5161.4-171.9-82.6-88.4-30.400113.5
408P30Very low33.3Very low105 Ų105136 Ų13668%0.68277%0.767SS**  trans-89.3148.4-163.735.3-34.1000114.1
409L32.6Very low33.8Very low177 Ų177140.7 Ų140.793%0.92776%0.759SS**  trans-135.1157.4160-76.6176.6000109.9
410E30.9Very low34.4Very low191 Ų191143.2 Ų143.289%0.89376%0.755SS**  trans-91.3119.4-168.3-52.2-177.814000111.9
411D31.5Very low35.3Very low151 Ų151141.2 Ų141.281%0.80774%0.743SS**  trans-178.1101.9144.4-110.9-32.4000112.4
412E31.2Very low35.9Very low155 Ų155140.5 Ų140.572%0.72473%0.728SS**  trans-140.164.5173.2-132.9-104.9116.300111.2
413S36.4Very low36.9Very low97 Ų97144.2 Ų144.268%0.67873%0.731SS**SBendtrans-113.5-10.7-176.861.70000115.1
414I42.2Very low37.6Very low130 Ų130146 Ų14667%0.66773%0.727SS**SBendtrans-115.3-37.6-167.4-71.8174.4000115.1R416 S417I414-R416 PolarHBondContact O-N 2.84Å; I414-R416 VanDerWaalsContact O-N 3.09Å; I414-S417 PolarHBondContact O-N 2.83Å; I414-S417 PolarHBondContact O-OG 3.22Å
415E39.2Very low38.4Very low110 Ų110146.5 Ų146.551%0.51472%0.717SS.*Hα-helixtrans-69.4-15.5-167.3-148.4-171.4128.700114.7S417 R419E415-S417 PolarHBondContact O-N 2.86Å; E415-R419 IonicContact OE1-CZ 3.3Å; E415-R419 IonicContact OE1-NH1 3.05Å; E415-R419 PolarHBondContact OE1-NH1 2.93Å; E415-R419 IonicContact OE1-NH2 2.7Å
416R40.1Very low39.3Very low223 Ų223145.2 Ų145.284%0.84271%0.708SS**Hα-helixtrans-75-6.4-179-135.9168.4-168.51564.7114.8I414I414-R416 PolarHBondContact O-N 2.84Å; I414-R416 VanDerWaalsContact O-N 3.09Å
417S43Very low39.8Very low77 Ų77149.4 Ų149.454%0.53871%0.711SS.*Hα-helixtrans-91.5-49.3-178.463.50000113.2I414 E415 R419 K420I414-S417 PolarHBondContact O-N 2.83Å; I414-S417 PolarHBondContact O-OG 3.22Å; E415-S417 PolarHBondContact O-N 2.86Å; S417-R419 PolarHBondContact O-N 2.82Å; S417-K420 PolarHBondContact O-N 2.67Å
418E44.5Very low40.3Very low82 Ų82149.8 Ų149.838%0.38371%0.71SS.*Hα-helixtrans-56.8-46.7-175-78.6-92.59400113.6K420 K421 R422E418-K420 PolarHBondContact O-N 3.25Å; E418-K420 VanDerWaalsContact O-N 3.08Å; E418-K421 PolarHBondContact O-N 3.28Å; E418-R422 PolarHBondContact O-N 2.64Å; E418-R422 IonicContact OE1-NH2 2.73Å; E418-R422 IonicContact OE2-CZ 2.72Å; E418-R422 IonicContact OE2-NH1 2.72Å; E418-R422 PolarHBondContact OE2-NH1 2.81Å; E418-R422 IonicContact OE2-NH2 3.21Å; E418-R422 PolarHBondContact OE2-NH2 2.8Å
419R41.7Very low41Very low183 Ų183153.1 Ų153.169%0.69172%0.717SS**Hα-helixtrans-65-14.1-176.3-80-165.8177.292.22.5114.4E415 S417E415-R419 IonicContact OE1-CZ 3.3Å; E415-R419 IonicContact OE1-NH1 3.05Å; E415-R419 PolarHBondContact OE1-NH1 2.93Å; E415-R419 IonicContact OE1-NH2 2.7Å; S417-R419 PolarHBondContact O-N 2.82Å
420K47Very low41.2Very low177 Ų177156.7 Ų156.777%0.7772%0.718SS**Hα-helixtrans-88.5-18.1171.7-83.7-178.8176.2174.70113.9S417 E418S417-K420 PolarHBondContact O-N 2.67Å; E418-K420 PolarHBondContact O-N 3.25Å; E418-K420 VanDerWaalsContact O-N 3.08Å
421K48Very low41.5Very low143 Ų143159 Ų15962%0.62272%0.719SS**Hα-helixtrans-80.9-57179.4-152173.2-177.9-176.70110.9E418 K423 K424E418-K421 PolarHBondContact O-N 3.28Å; K421-K423 PolarHBondContact O-N 3.48Å; K421-K424 PolarHBondContact O-N 2.86Å
422R42.2Very low41.8Very low161 Ų161157.2 Ų157.261%0.60872%0.718SS**Hα-helixtrans-61.1-14.8-178-63.4-168.8179.691.613.3115.4E418 S426E418-R422 PolarHBondContact O-N 2.64Å; E418-R422 IonicContact OE1-NH2 2.73Å; E418-R422 IonicContact OE2-CZ 2.72Å; E418-R422 IonicContact OE2-NH1 2.72Å; E418-R422 PolarHBondContact OE2-NH1 2.81Å; E418-R422 IonicContact OE2-NH2 3.21Å; E418-R422 PolarHBondContact OE2-NH2 2.8Å; R422-S426 PolarHBondContact O-OG 3.23Å
423K46.4Very low42.2Very low182 Ų182159.4 Ų159.479%0.79173%0.725SS**Hα-helixtrans-94.73.6176.1-150.2166.2-173.1170.80114.1K421K421-K423 PolarHBondContact O-N 3.48Å
424K45.5Very low42.3Very low181 Ų181162.5 Ų162.579%0.78773%0.734SS**Hα-helixtrans-108.1-21178.4-151.8175.5-176.8-175.30113.9K421K421-K424 PolarHBondContact O-N 2.86Å
425E45.3Very low42.2Very low125 Ų125165 Ų16558%0.58475%0.747SS**Hα-helixtrans-88-38178.7-71.5155.1139.900112.6K427 K428E425-K427 PolarHBondContact O-N 2.98Å; E425-K428 PolarHBondContact O-N 3.02Å; E425-K428 VanDerWaalsContact O-N 3.15Å
426S42.8Very low41.9Very low96 Ų96163.6 Ų163.667%0.67176%0.762SS**THydrogen-bonded Turntrans-66.415.2-177.242.30000116R422R422-S426 PolarHBondContact O-OG 3.23Å
427K43.3Very low41.9Very low203 Ų203158 Ų15888%0.88376%0.758SS**THydrogen-bonded Turntrans-121.25.9175-148.4179.7-179.6-174.80114.1E425E425-K427 PolarHBondContact O-N 2.98Å
428K43.7Very low41.4Very low196 Ų196159.8 Ų159.885%0.85277%0.77SS**SBendtrans-106.6-2.8-177.8-147.4178.1-179.4-174.80115.3E425E425-K428 PolarHBondContact O-N 3.02Å; E425-K428 VanDerWaalsContact O-N 3.15Å
429E43.2Very low41Very low175 Ų175161.4 Ų161.482%0.81879%0.787SS**SBendtrans-119.621.6-161.3-146.9-173.2150.100116
430R38.5Very low40.7Very low253 Ų253158.8 Ų158.896%0.95579%0.792SS**SBendtrans-130.837.2-179.7-81.8-171.9165.3167.5-4.1114.5
431R35.3Very low40.1Very low240 Ų240158.6 Ų158.691%0.90679%0.791SS**SBendtrans-144.840.5-177.7-138.9179.4-179.8-165.1-2.6115.2
432S38.9Very low39.5Very low113 Ų113159.2 Ų159.279%0.7980%0.796SS**  trans-163.755.717747.40000114.7
433K39.5Very low38.9Very low201 Ų201155.6 Ų155.687%0.87480%0.795SS**  trans-142.485.7167.5-71.1-166.9179.1-1780112.2
434N37.6Very low38.3Very low161 Ų161156.1 Ų156.186%0.86180%0.798SS**SBendtrans177.6151.9147.5-94.8-8000109.9
435L40Very low37.7Very low183 Ų183155.1 Ų155.196%0.95880%0.796SS**  trans75.8151.5-175.9-52.7171.6000116.2
436G34.4Very low37.1Very low80 Ų80153 Ų15383%0.82580%0.795SS**  trans103.474.2163.100000116.3
437S38.5Very low37Very low107 Ų107157.9 Ų157.975%0.74880%0.8SS**  trans-69.3129173.948.50000114.6
438S33.1Very low36.7Very low113 Ų113154.7 Ų154.779%0.7979%0.793SS**  trans65.3152.4148.9510000121.1
439P37Very low36.4Very low116 Ų116150.4 Ų150.475%0.75378%0.783SS**  trans-124.3160.7-16741.5-27.2000115.9
440T34.8Very low36.1Very low128 Ų128147.8 Ų147.879%0.78578%0.78SS**  trans-162124.7151.514.20000114.3
441K34.9Very low35.9Very low173 Ų173141.1 Ų141.175%0.75277%0.766SS**  trans60.6150.3131.2-74-179.8178-175.30123.8
442H35.2Very low35.7Very low157 Ų157135 Ų13573%0.72776%0.756SS**  trans58.4104.7156.6-67-58.2000117.6
443S29.4Very low35.4Very low85 Ų85135 Ų13559%0.59475%0.751SS**  75.3118.865.574.10000114.5
444F34Very low35Very low193 Ų193130.7 Ų130.785%0.84674%0.742SS**  -158.4154.7120-110.2-71.1000110.5
445E32.7Very low34.5Very low160 Ų160128.5 Ų128.575%0.74873%0.734SS**  trans-82.5176.8177.6-54131.9109.200111.4
446S33.6Very low34Very low81 Ų81125.3 Ų125.357%0.56672%0.722SS**  162.3151.3100.1530000114.3
447Y39.1Very low33.7Very low198 Ų198127.4 Ų127.478%0.77672%0.72SS**  trans67.6143.7162.1-47.1-46.9000117.1
448N37.9Very low33.4Very low135 Ų135129 Ų12972%0.72273%0.725SS**  cis-167.4161.9-8.9-106.4-14.1000107.3
449T36.6Very low33.1Very low107 Ų107128.2 Ų128.266%0.65672%0.716SS**  cis-171.7161.9-11.4-170.40000109.8
450T36.9Very low33.1Very low120 Ų120129.9 Ų129.974%0.73672%0.718SS**  trans66.6139.7150.7-66.50000120.3
451V34.8Very low32.8Very low112 Ų112128.1 Ų128.168%0.67971%0.707SS**  cis-152.2143.8-14.8129.50000110.4
452V31.7Very low32.8Very low113 Ų113126 Ų12669%0.68571%0.709SS**  trans-8.7165.9152.6-143.10000121.2
453T32.7Very low32.4Very low113 Ų113123.4 Ų123.469%0.69370%0.704SS**  trans76.8140.7148.737.50000119.5
454T30.6Very low32.5Very low110 Ų110125.4 Ų125.468%0.67571%0.713SS**  cis-169.9157.6-22.914.50000110.3
455T27.3Very low32.1Very low114 Ų114122.1 Ų122.170%0.69970%0.704SS**  trans61.1161.6146.654.10000122.4
456T30Very low31.9Very low116 Ų116120.6 Ų120.671%0.71270%0.7SS**  trans67.296.2151.339.90000120.1
457T26.5Very low31.7Very low125 Ų125123.5 Ų123.577%0.76771%0.708SS**  46.9107.1109.6-42.80000118.9
458T32.9Very low31.1Very low139 Ų139119.6 Ų119.685%0.85370%0.701SS**  -145.2136.8126.8-20.40000111.5
459T27.4Very low30.6Very low98 Ų98120 Ų12060%0.60170%0.696SS**  trans-77.3157.5166.946.20000111.1
460N36Very low30.2Very low150 Ų150121 Ų12180%0.80270%0.697SS**  trans-176.694.7134.7-87.6-19000107.9
461T28.4Very low29.8Very low91 Ų91121.5 Ų121.556%0.55869%0.694SS**  58.793.46771.80000115.5
462T35.5Very low29.5Very low130 Ų130122.5 Ų122.580%0.79869%0.694SS**  trans-164.498.7142.6-67.40000104.6
463T26.7Very low29.3Very low102 Ų102123.9 Ų123.963%0.62670%0.698SS**  cis65.46429.675.50000115.7
464V31.4Very low29.1Very low126 Ų126124.1 Ų124.176%0.76470%0.699SS**  trans-132.8118131.3-1500000104.7
465N26.5Very low29Very low125 Ų125124 Ų12467%0.66870%0.698SS**  6215256.8-66.7-8.1000111.7
466I28.1Very low29.2Very low128 Ų128123.2 Ų123.266%0.65670%0.703SS**  cis-169.4164.9-14.2-108.6168.7000105
467L28.9Very low29.2Very low141 Ų141123 Ų12374%0.73870%0.697SS**  trans67.2132.7177.8-63.9151.3000114.5
468D26.3Very low29.6Very low117 Ų117125.1 Ų125.163%0.62670%0.696SS**  cis79.3150.234.2-168.230.2000113.7
469K28.7Very low29.7Very low143 Ų143123.6 Ų123.662%0.62269%0.691SS**  trans65.8110.5169.4-76.8-179.6-173.571.20119.5
470D28.1Very low30.1Very low127 Ų127126.6 Ų126.668%0.67970%0.696SS**  104.4150.1106.4-80.5-20.1000122.5
471I28.2Very low29.9Very low132 Ų132127 Ų12768%0.67769%0.693SS**  trans66.191.3145.7-71.9161.7000116
472I27.8Very low29.9Very low133 Ų133127.2 Ų127.268%0.68270%0.698SS**  79.2135.282.3-75.9170.2000113.3
473N28.1Very low29.6Very low141 Ų141126.5 Ų126.575%0.75469%0.694SS**  trans70.5160.6164.7-73.5-14.4000117.3
474T28.4Very low29.6Very low118 Ų118129.3 Ų129.372%0.72470%0.699SS**  cis-143140.92.7-12.80000112.7
475V28.2Very low29.4Very low109 Ų109129.1 Ų129.166%0.66169%0.693SS**  trans20.7126.2136179.80000119.4
476A30.9Very low29.5Very low97 Ų97131.9 Ų131.980%0.80270%0.7SS**  171.8147.6121.200000113.8
477N30.7Very low29.4Very low110 Ų110130.8 Ų130.859%0.58870%0.7SS**  cis-168.1156.5-34.2-140.1-40.5000111.7
478K34.4Very low29.2Very low170 Ų170128.7 Ų128.774%0.73970%0.698SS**  trans67.9152.5163.8-54.2147.4-171.8176.20116.3
479S35.9Very low29.1Very low108 Ų108131.3 Ų131.376%0.75571%0.706SS**  cis-116.1134-5.543.30000109.8
480K34.3Very low28.9Very low161 Ų161130.7 Ų130.770%0.771%0.714SS**  62.9134.966.8-69.1-169.8175.2-165.60112
481Q32.5Very low29.3Very low158 Ų158129.8 Ų129.874%0.73872%0.718SS**  cis-144.6134.218.8-121.8151.7-62.500109.7
482S28.3Very low29.5Very low96 Ų96129.4 Ų129.467%0.67173%0.725SS**  64.8140102.678.90000114.8
483V28.8Very low29.6Very low115 Ų115127.8 Ų127.870%0.69773%0.725SS**  cis-142.1160.530.8165.30000111
484Q27.6Very low29.5Very low160 Ų160129.9 Ų129.975%0.74874%0.735SS**  trans-28.7171.3157.8-56.1153.7-66.300116.3
485I27.9Very low29.5Very low123 Ų123129 Ų12963%0.63173%0.733SS**  cis-169.7156.438.6-145.2154000113.5
486F26.6Very low29.6Very low183 Ų183132.3 Ų132.380%0.80374%0.738SS**  trans52.1155.7164.3-68.4-53.9000123.1
487P27.6Very low29.5Very low104 Ų104137.8 Ų137.868%0.67574%0.738SS**  trans-103-163.1176.543.7-36.6000112.5
488S24Very low29.6Very low97 Ų97139 Ų13968%0.67875%0.745SS**  trans70.3142.716740.50000118.6
489E23.8Very low29.7Very low172 Ų172136 Ų13680%0.80475%0.745SS**  trans62.7109.2153.3-71.4167.6-136.200120.9
490T24.8Very low29.9Very low130 Ų130136.1 Ų136.180%0.79874%0.743SS**  76.3141.4126.8-46.70000119.5
491S35.7Very low30Very low109 Ų109137.5 Ų137.576%0.76275%0.749SS**  trans-53.6151-179.9-42.40000113.8
492P32.4Very low30.3Very low124 Ų124137.7 Ų137.781%0.80575%0.747SS**  -148.1-174.196.540.3-24.1000116.2
493S30.2Very low30.6Very low99 Ų99142.6 Ų142.669%0.69275%0.753SS**  trans-65.4164.5-172.650.60000117.7
494L27.7Very low30.9Very low185 Ų185141.5 Ų141.597%0.96975%0.75SS**  trans-87.2110.7166.3-97.9169.7000111.1
495C28.5Very low31.4Very low99 Ų99138.2 Ų138.267%0.66975%0.745SS**  trans-82153.6-174-52.10000114.7
496K29.3Very low31.8Very low179 Ų179140.1 Ų140.178%0.77875%0.751SS**  -168.1106.9126.5-103.7150.6-170.3167.20114.7
497R29.1Very low32.2Very low211 Ų211137 Ų13780%0.79674%0.742SS**  trans71.7143.9153.3-56.5174.2-171.6154.1-0.2115.6
498N32.5Very low32.5Very low137 Ų137136.5 Ų136.573%0.73374%0.737SS**  cis-160158.32.8-119.510.3000112.7
499S35.8Very low32.9Very low107 Ų107141.9 Ų141.975%0.74875%0.745SS**  trans84152.6154.4-59.10000120.5
500P39.7Very low33.5Very low109 Ų109138.1 Ų138.171%0.70874%0.737SS**  trans-143.1-171.5-140.842-21.5000118.8
501K38.2Very low33.9Very low190 Ų190137.8 Ų137.883%0.82673%0.73SS**  trans105145.9166.4-59.6163.7-176.2174.10114.7
502K37.1Very low33.9Very low162 Ų162139 Ų13970%0.70473%0.729SS**  cis-170.6140.2-12-110.7-161.9173.4-163.70111.2
503Y35.6Very low34Very low200 Ų200138 Ų13878%0.78472%0.724SS**  trans64.1153.8151.3-76.1-116.7000118.6
504S34.7Very low34.2Very low92 Ų92138.5 Ų138.564%0.64373%0.728SS**  cis-171.1161.9-12.41790000112.6
505S37.6Very low35.1Very low91 Ų91135.5 Ų135.564%0.63672%0.719SS**  trans92.7112.6149.5-44.20000123
506H37.4Very low35.4Very low162 Ų162136.6 Ų136.675%0.7571%0.714SS**  51.5146.6115.5-63.4-70.7000122.3
507D34.6Very low35.6Very low118 Ų118135.6 Ų135.663%0.63172%0.717SS**  cis-167140.60.1-117.8-2.5000118.5
508T33.6Very low35.7Very low93 Ų93130 Ų13057%0.57171%0.707SS**  trans59.9156133640000128.2
509Y33.8Very low35.7Very low211 Ų211133.2 Ų133.283%0.82771%0.71SS**  trans72.5149.1154.1-65.2-62.3000119.9
510S34.5Very low35.4Very low92 Ų92133.7 Ų133.764%0.64370%0.704SS**  cis172.1174.3-28-102.80000110
511N34.6Very low34.9Very low123 Ų123132.8 Ų132.866%0.65870%0.7SS**  cis-162.8173.8-0.8-127.433.4000113.7
512D34.8Very low34.6Very low136 Ų136133.9 Ų133.973%0.72770%0.699SS**  trans80.1139.6138.7-76.5-37.6000127.8
513S35.6Very low34.2Very low101 Ų101135.2 Ų135.271%0.70671%0.705SS**  trans93.373.1145-62.70000123.5
514S33.8Very low33.9Very low111 Ų111130.3 Ų130.378%0.77670%0.7SS**  33.617286.4-51.20000121.8
515P46.4Very low33.8Very low121 Ų121132.1 Ų132.179%0.78671%0.707SS**  -135.3-149-52.243.5-26.1000109.1
516E33.9Very low33.4Very low122 Ų122135.8 Ų135.857%0.5772%0.719SS**  cis-153171.5-19.7-153-146.9116.200106.7T518E516-T518 WeakPolarHBondContact OE1-CB 3.39Å; E516-T518 VanDerWaalsContact OE1-CG2 3.27Å; E516-T518 WeakPolarHBondContact OE1-CG2 3.39Å; E516-T518 PolarHBondContact OE1-N 3.49Å; E516-T518 VanDerWaalsContact OE1-N 3.1Å; E516-T518 PolarHBondContact OE1-OG1 3.04Å
517L35.1Very low33.1Very low159 Ų159134.3 Ų134.383%0.83272%0.716SS**  -179.9149.8108.4-93.7178.3000113.5
518T30.4Very low32.9Very low94 Ų94138.1 Ų138.158%0.57773%0.727SS**  trans-132165.9-169.848.80000112.8E516E516-T518 WeakPolarHBondContact OE1-CB 3.39Å; E516-T518 VanDerWaalsContact OE1-CG2 3.27Å; E516-T518 WeakPolarHBondContact OE1-CG2 3.39Å; E516-T518 PolarHBondContact OE1-N 3.49Å; E516-T518 VanDerWaalsContact OE1-N 3.1Å; E516-T518 PolarHBondContact OE1-OG1 3.04Å
519Y31.7Very low32.7Very low204 Ų204140.5 Ų140.580%0.874%0.737SS**  -179.9115.9123.2-115.2-118.2000117
520N31.1Very low32.9Very low116 Ų116135.1 Ų135.162%0.6273%0.728SS**  35.5129.4126.6-65.5-60.5000123.7
521S29Very low32.7Very low91 Ų91139.6 Ų139.664%0.63674%0.735SS**  143.8131.296.3-110.20000119.1
522R31.1Very low32.3Very low213 Ų213140.9 Ų140.980%0.80474%0.74SS**  trans81.2106.9137.6-65.3164.9-167.3-157.40.5124.3
523K29.9Very low32Very low190 Ų190139.1 Ų139.183%0.82674%0.739SS**  96.4129.6114-77.4-171173.8-1730124.6
524S28.4Very low31.5Very low97 Ų97139.1 Ų139.168%0.67874%0.739SS**  trans77.490.8132.862.90000124.5
525T32.3Very low31.4Very low129 Ų129141.1 Ų141.179%0.79174%0.741SS**  24.9133.4114.260.40000122.2
526L29.6Very low30.5Very low168 Ų168142 Ų14288%0.8874%0.739SS**  -156.2173.2115.6-138.181.8000112.8
527N30.4Very low30.2Very low131 Ų131142.4 Ų142.470%0.70175%0.745SS**  trans-152.6140.7-173.216710.8000109.1
528K32Very low29.9Very low199 Ų199141 Ų14187%0.86574%0.739SS**  trans-169.8124148.1-105.1151-171.3179.80116.1
529N29.1Very low30Very low143 Ų143142.7 Ų142.777%0.76574%0.744SS**  trans-80.4-172.8154.4-112.7-43.7000109.7
530P37.5Very low30.1Very low98 Ų98139 Ų13964%0.63674%0.738SS**  cis-143.5-170.3-25.433.5-10.7000115.4
531K29.7Very low30.2Very low186 Ų186137.6 Ų137.681%0.80973%0.731SS**  trans70.8128.8133.4-101.5-180-179.7-178.90123.5
532I26.8Very low30.3Very low149 Ų149139.7 Ų139.776%0.76473%0.734SS**  154.9155.4116.4-88.1147000113.7
533S27.7Very low30.4Very low100 Ų100139 Ų13970%0.69974%0.737SS**  trans60.4121.4174.243.70000117
534S26Very low30.3Very low100 Ų100134.5 Ų134.570%0.69973%0.726SS**  cis84.111341.878.80000114.6
535D31.4Very low30.4Very low153 Ų153138.8 Ų138.882%0.81873%0.732SS**  -175-177.7118.1-93.31.1000112.9
536N26.7Very low30.4Very low139 Ų139137.8 Ų137.874%0.74373%0.726SS**  trans-94172.3-156.1-69.2-74.1000116.5
537N29.2Very low30.6Very low132 Ų132135.6 Ų135.671%0.70672%0.715SS**  trans86.1103.8145.8-70.5-25.9000121.8
538N28.6Very low30.8Very low130 Ų130134.6 Ų134.670%0.69571%0.714SS**  79.6143.8114.9-65-14.9000123.7
539N32.6Very low30.9Very low128 Ų128132.6 Ų132.668%0.68471%0.713SS**  trans81.288.1149.4-64-10.5000121
540N32.5Very low31.3Very low127 Ų127135.3 Ų135.368%0.67972%0.721SS**  25.5130.1114.1-60.8-20000119.3
541N33Very low31.4Very low87 Ų87138.5 Ų138.547%0.46573%0.727SS.*  -176.7172.4109.3-98-30.7000113.7I938 S939 K940N541-I938 WeakPolarHBondContact CB-O 3.41Å; N541-S939 WeakPolarHBondContact O-CA 3.47Å; N541-S939 VanDerWaalsContact O-CB 3.3Å; N541-S939 WeakPolarHBondContact O-CB 3.42Å; N541-K940 PolarHBondContact O-N 3.43Å
542L32.1Very low31.6Very low135 Ų135135 Ų13571%0.70772%0.717SS**  trans-115.1153.9-167.8-61.775.4000113.5
543K32.3Very low32.2Very low197 Ų197135.7 Ų135.786%0.85772%0.722SS**  trans-179.3134.8133-100.4165.3175.8-179.30108
544T29.4Very low32.5Very low97 Ų97136.3 Ų136.360%0.59572%0.717SS**  cis859721.278.10000117.2
545F30.6Very low32.7Very low186 Ų186139.2 Ų139.282%0.81672%0.724SS**  trans-141.6124.4143.3-112.5-100.5000103.5
546V31.1Very low32.8Very low108 Ų108141.4 Ų141.466%0.65573%0.726SS**  cis73.9112.134.4-170.30000111.8
547D33.6Very low33Very low123 Ų123145.5 Ų145.566%0.65873%0.733SS**  -177.3156.7114.8-101.5-44.7000113.2
548T35Very low33Very low109 Ų109147.3 Ų147.367%0.66974%0.742SS**  trans28.5116.3157.457.20000119.9
549D33.3Very low33.1Very low158 Ų158150 Ų15085%0.84575%0.75SS**  86.3115.765.5-74.9-37.9000114.1
550E38.5Very low33Very low200 Ų200155.2 Ų155.294%0.93576%0.761SS**  trans-151.9135.8149.7-140.4170.9-146.200108.9
551H38.8Very low33.1Very low164 Ų164157 Ų15776%0.75977%0.77SS**  trans-123.2162.8-167.8-155.8-93.1000110.7
552D35.2Very low33Very low113 Ų113158.7 Ų158.760%0.60479%0.789SS**  trans55.3102.4173.1-65-54.6000119
553D38.9Very low32.9Very low164 Ų164157 Ų15788%0.87779%0.788SS**  trans-130.4138.4134.5-164.35.4000109.5
554L33.9Very low33.1Very low113 Ų113156.4 Ų156.459%0.59279%0.786SS**  trans-117.3155-145.9-83.5163.5000115.3K556L554-K556 PolarHBondContact O-N 3.45Å
555L29.6Very low33.2Very low160 Ų160163.3 Ų163.384%0.83880%0.803SS**  trans47.563.4144.2-68.6166000118.6
556K33.9Very low33.1Very low200 Ų200159.2 Ų159.287%0.8780%0.797SS**  trans-153.344.1162.9-124.8159.3-168.7170.50119.9L554L554-K556 PolarHBondContact O-N 3.45Å
557Y30.7Very low33.1Very low224 Ų224161 Ų16188%0.87880%0.803SS**SBendtrans-145.28.3162-133.3-92.6000117.9
558N29Very low33Very low171 Ų171164.5 Ų164.591%0.91482%0.815SS**SBendtrans-10170.7176.9-84.6-36.4000112.2
559Q31.7Very low32.8Very low185 Ų185168.1 Ų168.186%0.86482%0.824SS**SBendtrans-158.8-3.2172.8-119.7164.11700117.8
560R30.6Very low32.6Very low238 Ų238164.7 Ų164.790%0.89881%0.812SS**SBendtrans-13463.7-179.8-69.2-174.4-179.7167.6-1.1113.2
561N33.3Very low32.1Very low164 Ų164165.9 Ų165.988%0.87781%0.809SS**SBendtrans-169.912.9156.5-100.9-16.8000114.1S563N561-S563 PolarHBondContact O-N 3.18Å
562S31.4Very low31.6Very low124 Ų124166.6 Ų166.687%0.86781%0.813SS**SBendtrans-96.132-172.9-169.80000113.8
563S30.6Very low31.2Very low98 Ų98169.2 Ų169.269%0.68582%0.822SS**SBendtrans-141.816.8-169.3580000115.6N561N561-S563 PolarHBondContact O-N 3.18Å
564K35.7Very low30.7Very low186 Ų186172.8 Ų172.881%0.80983%0.825SS**SBendtrans-130.96.4176.6-77.1-162.2172-170.60116.3
565Y32.5Very low30.4Very low242 Ų242172.3 Ų172.395%0.94983%0.831SS**SBendtrans-129.561171.7-79.1-80.9000111.2
566S28Very low30.2Very low99 Ų99170.4 Ų170.469%0.69283%0.831SS**  trans-143.552.7170.3620000109.9
567N30.5Very low30Very low145 Ų145167.7 Ų167.778%0.77583%0.831SS**  trans-145.655.8178.5-104.5-16.8000111.2
568Q32.7Very low29.9Very low197 Ų197164.4 Ų164.492%0.92183%0.828SS**  trans-127.943.7163.3-81.5-174.4-27.500110.7
569Q30.5Very low29.8Very low185 Ų185163.8 Ų163.886%0.86483%0.825SS**  trans-136.459.1163.7-77.5-169.2-33.700109
570C27.8Very low29.7Very low86 Ų86161.9 Ų161.958%0.58183%0.827SS**  trans-152.251.3179.2-162.90000113.4
571Y28.6Very low29.6Very low225 Ų225160.8 Ų160.888%0.88282%0.822SS**SBendtrans-139.945.1165.5-94.6-71.3000111.3
572Q28.8Very low29.5Very low180 Ų180160.6 Ų160.684%0.84182%0.816SS**SBendtrans-139.250.5171.2-74.6-167.3-1900110.8
573Q27.4Very low29.4Very low168 Ų168160.9 Ų160.979%0.78581%0.808SS**  trans-154.346.2-175.9-135.3163.8-4.700115
574Y27.7Very low29.5Very low238 Ų238162.8 Ų162.893%0.93382%0.815SS**SBendtrans-135.545.1169.5-91.5-72.5000112.2
575S26.6Very low29.2Very low103 Ų103160.8 Ų160.872%0.7281%0.814SS**SBendtrans-160.749.2-177.562.40000113.8
576S26.7Very low29.2Very low120 Ų120156.4 Ų156.484%0.83981%0.807SS**  trans-179.466163-81.60000112.5
577V29.8Very low29.3Very low143 Ų143156.8 Ų156.887%0.86781%0.805SS**  trans-142.293.8157.4-173.40000109.2
578N27.8Very low29.3Very low155 Ų155160.7 Ų160.783%0.82981%0.81SS**  trans-160.1150.6156.9-103.5-33.5000106.9
579N26.6Very low29.1Very low158 Ų158157.7 Ų157.785%0.84581%0.806SS**  trans68.671.2-177.2-55.2-19000116.8
580T30.6Very low29.2Very low146 Ų146153.5 Ų153.590%0.89680%0.797SS**  -132.3111.9126.3-460000108.4
581R28.5Very low29.4Very low215 Ų215156.2 Ų156.281%0.81181%0.806SS**  trans-81.9138.1161-81170.6148.7177.1-9.9107.2
582Q31.1Very low29.6Very low160 Ų160152.6 Ų152.675%0.74880%0.8SS**  179143.5110-101.3178.5-108.600111.1
583D29.4Very low29.5Very low130 Ų130151.5 Ų151.570%0.69580%0.8SS**  trans53.1135148-41.5-28000118.8
584T33.1Very low29.6Very low137 Ų137148.8 Ų148.884%0.8480%0.799SS**  cis-131168.919.853.50000113.5
585N28Very low29.7Very low145 Ų145145.9 Ų145.978%0.77580%0.799SS**  trans-80.4154.6170.2-56.1-50.4000111.6
586D32.5Very low29.8Very low150 Ų150145.6 Ų145.680%0.80280%0.797SS**  -170.9112.5118.5-95.7-32.7000109.6
587T29.9Very low30Very low106 Ų106143.9 Ų143.965%0.6578%0.779SS**  80.393.679.9-55.90000112.9
588Y31.6Very low30Very low227 Ų227140 Ų14089%0.8976%0.758SS**  trans-163.9131.8134-112.6-72000110.1
589T28.2Very low30.1Very low135 Ų135138.2 Ų138.283%0.82875%0.747SS**  trans-142119-173.551.40000112.2
590S32.6Very low30.2Very low97 Ų97133.5 Ų133.568%0.67873%0.727SS**  trans-173.5130.117149.30000106.2
591D32.6Very low30.4Very low142 Ų142137.6 Ų137.676%0.75973%0.726SS**  cis-155.1156.816.9-98.3-34.8000114.3
592I32.8Very low30.7Very low149 Ų149132 Ų13276%0.76472%0.72SS**  trans68.4104.4149.7-64.1161.4000118.9
593D25.8Very low30.7Very low157 Ų157130.1 Ų130.184%0.8472%0.719SS**  trans-66.8151.2153.4-61.5-82.5000112.7
594S29.6Very low30.6Very low111 Ų111132 Ų13278%0.77672%0.724SS**  trans-167.6133.2148-91.80000115.2
595L30.4Very low30.4Very low177 Ų177129.5 Ų129.593%0.92771%0.712SS**  trans75.6107159.9-58.7173.7000120
596S28.1Very low30.6Very low97 Ų97130.9 Ų130.968%0.67871%0.713SS**  trans-128.4167.5151.4560000110.1
597D31.3Very low30.3Very low84 Ų84130.8 Ų130.845%0.44971%0.712SS.*  trans74.6154.8158-58.9-25000122.3N663D597-N663 CarbonylContact C-O 3.53Å; D597-N663 VanDerWaalsContact CA-O 3.3Å; D597-N663 WeakPolarHBondContact CA-O 3.49Å; D597-N663 WeakPolarHBondContact CB-O 3.33Å; D597-N663 VanDerWaalsContact OD1-CB 3.23Å; D597-N663 WeakPolarHBondContact OD1-CB 3.1Å
598S29.5Very low30.2Very low63 Ų63133 Ų13344%0.44172%0.719SS.*  trans175.5-32.3164.7-80.10000119.9R662 N663 V664S598-R662 VanDerWaalsContact CB-CB 3.42Å; S598-R662 VanDerWaalsContact CB-CD 3.49Å; S598-N663 CarbonylContact C-O 3.55Å; S598-N663 VanDerWaalsContact N-N 3.11Å; S598-N663 PolarHBondContact N-O 3.39Å; S598-V664 WeakPolarHBondContact O-CG2 3.24Å
599I30.8Very low29.9Very low116 Ų116127.6 Ų127.660%0.59571%0.705SS**  trans-167.1153.2178.4-138.7170.9000116.6R662 N663 V664I599-R662 HydrophobicContact CB-CB 4.2Å; I599-R662 HydrophobicContact CG2-CB 3.81Å; I599-R662 CarbonylContact O-C 3.2Å; I599-N663 PolarHBondContact N-O 2.85Å; I599-N663 CarbonylContact O-C 3.41Å; I599-N663 WeakPolarHBondContact O-CA 3.48Å; I599-N663 PolarHBondContact O-N 3Å; I599-V664 PolarHBondContact O-N 2.59Å
600S28.7Very low30.1Very low60 Ų60129 Ų12942%0.4271%0.705SS.*  trans-163.4153.4168.4-58.70000113.3V664S600-V664 PolarHBondContact OG-N 2.94Å
601R34.8Very low30Very low231 Ų231127.5 Ų127.587%0.87269%0.69SS**  trans167.5149.9155-91150.4-171.2-142.5-1.6111.1
602S33.1Very low30Very low98 Ų98126.2 Ų126.269%0.68568%0.679SS**  cis84.3137.435.5-147.50000112.5
603T31.3Very low29.9Very low121 Ų121125.6 Ų125.674%0.74267%0.671SS**  cis-163.9177.212.7-12.80000108.6
604H28.5Very low30.3Very low169 Ų169121.7 Ų121.778%0.78265%0.648SS**  cis-149.4-79.62.3-171.8-129.4000116.1
605S27.7Very low30.6Very low84 Ų84122 Ų12259%0.58764%0.641SS**  trans-151.6152.5-155.458.40000116.6
606H33.4Very low30.8Very low175 Ų175117.6 Ų117.681%0.8162%0.618SS**  -161.5168.6118.4-148.4-98.2000113.3
607L25.1Very low31.2Very low147 Ų147122 Ų12277%0.7762%0.621SS**  trans-100.3172.4178.3-77.1161000113.2
608L28.5Very low31.5Very low153 Ų153122.7 Ų122.780%0.80162%0.622SS**  trans90.9125.4171.4-53.7169.6000114.6
609L25.3Very low31.7Very low113 Ų113124.2 Ų124.259%0.59263%0.625SS**  cis102111.632.5-16489.9000111.4I375I375-L609 HydrophobicContact CD1-CD1 4.48Å; I375-L609 HydrophobicContact CD1-CD2 3.91Å; I375-L609 HydrophobicContact CD1-CG 3.93Å; I375-L609 HydrophobicContact CG2-CD1 3.79Å; I375-L609 HydrophobicContact CG2-CD2 4.08Å; I375-L609 HydrophobicContact CG2-CG 4.24Å
610I32.2Very low32Very low165 Ų165120.9 Ų120.985%0.84662%0.619SS**  trans-168147163.1-97.4148000107.8
611D31.2Very low32.2Very low66 Ų66124.4 Ų124.435%0.35364%0.644SS.*  trans-131.6-173.3-172.9-96.8-90.6000111.3S373 T374 I375S373-D611 WeakPolarHBondContact CB-OD1 3.22Å; T374-D611 VanDerWaalsContact CB-CG 3.41Å; T374-D611 VanDerWaalsContact CB-OD1 3.24Å; T374-D611 WeakPolarHBondContact CB-OD1 3.44Å; T374-D611 WeakPolarHBondContact CG2-OD2 3.26Å; T374-D611 PolarHBondContact OG1-OD1 2.92Å; I375-D611 HydrophobicContact CD1-CB 4.14Å; I375-D611 HydrophobicContact CG1-CB 4.15Å
612Q31.3Very low32.2Very low114 Ų114116.7 Ų116.753%0.53364%0.636SS.*  trans84.3146174.3-53.5-174.75.400116.3S373S373-Q612 WeakPolarHBondContact OG-CA 3.17Å; S373-Q612 WeakPolarHBondContact OG-CG 3.49Å; S373-Q612 PolarHBondContact OG-N 2.73Å
613K32.1Very low32.2Very low136 Ų136124.4 Ų124.459%0.59165%0.65SS**  cis-150.4-173.317.3-145.5147.7-170.4146.60116.8V372V372-K613 WeakPolarHBondContact CG1-O 3.46Å
614E32.7Very low32.2Very low76 Ų76127.3 Ų127.336%0.35566%0.655SS.*  trans-81.6-166.4-161.4-73.8133.7132.300119.3R370 L371R370-E614 PolarHBondContact NH1-O 3.03Å; L371-E614 WeakPolarHBondContact O-CG 3.21Å
615D36.1Very low32.4Very low118 Ų118125.1 Ų125.163%0.63165%0.654SS**  trans137.6117136.2-66.2-11.8000117.6R370R370-D615 WeakPolarHBondContact CD-O 3.07Å; R370-D615 PolarHBondContact NH1-O 3.13Å
616D34.7Very low32.9Very low84 Ų84126.4 Ų126.445%0.44966%0.66SS.*  trans-77.3-173.4-150.6-70.617.2000122.5T369 R370T369-D616 WeakPolarHBondContact O-CA 3.46Å; T369-D616 WeakPolarHBondContact O-CB 3.41Å; R370-D616 WeakPolarHBondContact CA-OD1 3.39Å; R370-D616 VanDerWaalsContact CB-OD1 3.24Å; R370-D616 WeakPolarHBondContact CB-OD1 3.43Å; R370-D616 PolarHBondContact N-OD1 2.83Å
617Y36.4Very low32.7Very low188 Ų188124.8 Ų124.874%0.73766%0.663SS**  trans91.5150.8156.8-54-71.3000121.3T369T369-Y617 PolarHBondContact O-N 2.86Å
618H37.4Very low33.1Very low100 Ų100124.1 Ų124.146%0.46367%0.665SS.*  cis-173.4139-38-126.369.8000113.3S366 D367 S368S366-H618 PolarHBondContact O-CD2 3.41Å; D367-H618 WeakPolarHBondContact CA-NE2 3.44Å; S368-H618 PolarHBondContact N-CE1 3.4Å; S368-H618 PolarHBondContact N-ND1 3.28Å; S368-H618 PolarHBondContact O-CE1 3.23Å; S368-H618 PolarHBondContact O-ND1 3.05Å
619D35.3Very low33.1Very low94 Ų94123.7 Ų123.750%0.50366%0.663SS.*  trans55.8165.2157.7-138.530.5000121.2S366 D367S366-D619 VanDerWaalsContact CB-OD1 3.27Å; S366-D619 WeakPolarHBondContact CB-OD1 3.41Å; S366-D619 PolarHBondContact OG-OD1 3.44Å; D367-D619 PolarHBondContact N-OD1 3.4Å; D367-D619 VanDerWaalsContact N-OD1 3.11Å; D367-D619 PolarHBondContact O-N 2.84Å
620G35.5Very low33.5Very low46 Ų46129.7 Ų129.747%0.47468%0.68SS.*  cis173.2139.8-8.600000117.6
621S34.1Very low33.5Very low134 Ų134131 Ų13194%0.93768%0.679SS**  trans63.5162.9163.780.20000120
622G34.2Very low33.5Very low70 Ų70130.9 Ų130.972%0.72269%0.694SS**  cis163.7164.3-11.400000114.3
623R32.6Very low33.4Very low259 Ų259132.5 Ų132.598%0.97771%0.706SS**  trans116.3159.8165.6-63.7-173.7-178.8-164.71.3119.7
624E32.4Very low33.3Very low182 Ų182133 Ų13385%0.8571%0.71SS**  trans-108.2177.1-163.3-53.6162.8163.300111.9
625T31.9Very low33.2Very low124 Ų124136.4 Ų136.476%0.76173%0.725SS**  cis-163.7169.941.943.30000112.5
626P38.8Very low32.8Very low110 Ų110137.2 Ų137.271%0.71472%0.724SS**  trans-124.4162.3-16942.6-31000118.9
627V29.9Very low32.6Very low142 Ų142140.3 Ų140.386%0.86174%0.736SS**  trans-168.8159.3170.6-114.30000109.7
628V33.2Very low32.1Very low133 Ų133139.1 Ų139.181%0.80674%0.737SS**  cis-145.3166.5-2-151.40000109.1
629D28.5Very low31.9Very low144 Ų144142.9 Ų142.977%0.7776%0.755SS**  trans-88.9164.7169.6-62.5-69.6000115.2
630Y33.6Very low31.3Very low239 Ų239143.2 Ų143.294%0.93776%0.764SS**  trans-161.4160.7137.7-116.8-78.3000113.1
631F30.7Very low31.1Very low192 Ų192149.7 Ų149.784%0.84278%0.783SS**  trans-99.2166.1-164.7-99.9-111.7000116.7
632G32.2Very low30.7Very low64 Ų64152.1 Ų152.166%0.6678%0.776SS**  trans149.996.7153.900000118.4
633D29.9Very low30.6Very low147 Ų147156.4 Ų156.479%0.78678%0.782SS**  37.7143.7104.1-57.6-22.8000120
634E28.5Very low30.3Very low146 Ų146152.5 Ų152.568%0.68278%0.775SS**  cis-165.1-172.3-2.3-173.1179.9-178.500109.6
635F31Very low30.2Very low149 Ų149151.9 Ų151.965%0.65477%0.772SS**  trans88.388159.5-73.7-82.8000123.1
636Q27.6Very low30.2Very low134 Ų134153.1 Ų153.163%0.62677%0.769SS**  55154.2107.2-66-170.621.600125.6
637Q30.1Very low29.6Very low150 Ų150152.1 Ų152.170%0.70177%0.765SS**  trans72.4114.9157-73.816757.500117.8
638Q27.1Very low29.4Very low162 Ų162152.5 Ų152.576%0.75776%0.762SS**  74.8107.970.4-76.5-171.2-12.900114.9
639H32.7Very low29.4Very low179 Ų179150.9 Ų150.983%0.82976%0.762SS**  -172.1173.6108.9-116-95.1000113.1
640S23.6Very low29.3Very low101 Ų101153 Ų15371%0.70677%0.765SS**  trans-113.8141.2-176.5-580000113.8
641Q31.4Very low29.2Very low183 Ų183147.6 Ų147.686%0.85576%0.762SS**  trans-174.8130.5141.4-99.5153.82.900107.2
642K25.6Very low29Very low185 Ų185143.3 Ų143.380%0.80476%0.756SS**  45.6114.983-76.1-166.4173.5-1700111.3
643D31.5Very low28.9Very low159 Ų159145.6 Ų145.685%0.8576%0.762SS**  -150.4-177.669.2-90.9-34.9000115.4
644Q25.7Very low28.7Very low177 Ų177144.7 Ų144.783%0.82776%0.762SS**  trans-85.9157.7178.5-60.3167.1-32.700111.8
645Q30.9Very low28.8Very low169 Ų169145 Ų14579%0.7977%0.766SS**  177.5143.4119.8-96177.123.100113.4
646H31.9Very low28.5Very low151 Ų151149.1 Ų149.170%0.69978%0.778SS**  trans44.4112.4148.7-61.9-54.3000120.4
647S26.3Very low28.5Very low88 Ų88148 Ų14862%0.61579%0.785SS**  69.3137.179.587.60000113.8
648N25.9Very low28.3Very low150 Ų150145.9 Ų145.980%0.80279%0.787SS**  cis-156151.711.9-91.8-39.4000109.9
649A32.5Very low28.2Very low99 Ų99145.8 Ų145.882%0.81879%0.79SS**  trans-169.7102.4148.900000112.6
650F27.3Very low27.9Very low190 Ų190143.5 Ų143.583%0.83378%0.783SS**  trans-70.1157.6158-89.3-108.6000109.4
651S30.4Very low28Very low124 Ų124144.2 Ų144.287%0.86778%0.783SS**  -163.7136.698.1-70.70000112
652S26.3Very low27.8Very low103 Ų103143 Ų14372%0.7277%0.771SS**  trans-101151.7168.5178.80000109.9
653S31.2Very low27.8Very low111 Ų111138.1 Ų138.178%0.77675%0.753SS**  trans-140.4109161.154.30000111
654T25.4Very low27.7Very low128 Ų128134.5 Ų134.579%0.78574%0.736SS**  trans-87.5130.3166.9-62.40000108.9
655I30.7Very low27.7Very low152 Ų152134 Ų13478%0.77973%0.732SS**  trans-116.8123.1165.6-63.1-177.5000108.8
656R24.5Very low27.5Very low237 Ų237135.8 Ų135.889%0.89473%0.732SS**  trans-108115.3-179.1173.4-173-176.5174.81.8107.9
657S28.3Very low27.2Very low111 Ų111132.6 Ų132.678%0.77673%0.727SS**  trans-131.1113.7174.4-65.60000110.7
658S24.6Very low27.3Very low105 Ų105135.6 Ų135.673%0.73474%0.736SS**  trans-95.2141.9172.651.40000110.7
659L26.6Very low27.2Very low159 Ų159136.9 Ų136.983%0.83274%0.737SS**  trans-157.4106.4159.8-110.8143.5000113.3
660I26.4Very low26.9Very low132 Ų132140.6 Ų140.668%0.67774%0.74SS**  trans47.1113.4146.3-56.3177.7000118.8R662I660-R662 HydrophobicContact CG2-CG 4.27Å
661V25.2Very low26.8Very low116 Ų116137.1 Ų137.170%0.70374%0.739SS**  trans-88.5151.8162170.20000110.5
662R27.5Very low26.8Very low158 Ų158137.6 Ų137.660%0.59673%0.731SS**  trans-140.3134.8162.1-66-160.2153.6136.2-0.5108.9S598 I599 I660S598-R662 VanDerWaalsContact CB-CB 3.42Å; S598-R662 VanDerWaalsContact CB-CD 3.49Å; I599-R662 HydrophobicContact CB-CB 4.2Å; I599-R662 HydrophobicContact CG2-CB 3.81Å; I599-R662 CarbonylContact O-C 3.2Å; I660-R662 HydrophobicContact CG2-CG 4.27Å
663N25.9Very low26.7Very low82 Ų82138.3 Ų138.344%0.43973%0.727SS.*  trans-136.9128.3177.7-87.8-9.5000111.7D597 S598 I599D597-N663 CarbonylContact C-O 3.53Å; D597-N663 VanDerWaalsContact CA-O 3.3Å; D597-N663 WeakPolarHBondContact CA-O 3.49Å; D597-N663 WeakPolarHBondContact CB-O 3.33Å; D597-N663 VanDerWaalsContact OD1-CB 3.23Å; D597-N663 WeakPolarHBondContact OD1-CB 3.1Å; S598-N663 CarbonylContact C-O 3.55Å; S598-N663 VanDerWaalsContact N-N 3.11Å; S598-N663 PolarHBondContact N-O 3.39Å; I599-N663 PolarHBondContact N-O 2.85Å; I599-N663 CarbonylContact O-C 3.41Å; I599-N663 WeakPolarHBondContact O-CA 3.48Å; I599-N663 PolarHBondContact O-N 3Å
664V27.9Very low26.7Very low82 Ų82140.1 Ų140.150%0.49773%0.727SS.*  trans-128.6115169.2153.80000110.7S598 I599 S600S598-V664 WeakPolarHBondContact O-CG2 3.24Å; I599-V664 PolarHBondContact O-N 2.59Å; S600-V664 PolarHBondContact OG-N 2.94Å
665K26.6Very low26.8Very low168 Ų168140.4 Ų140.473%0.7372%0.72SS**  trans-78149.5153.1-66.1173.8173.6177.10109
666Y27.1Very low26.6Very low205 Ų205139.2 Ų139.280%0.80472%0.715SS**  -171.3147.5113.4-105.4-70.9000109.4
667S25.1Very low26.8Very low85 Ų85135.3 Ų135.359%0.59471%0.711SS**  trans62.7145.6147.9-68.50000120.6
668D28.4Very low27Very low150 Ų150135.7 Ų135.780%0.80270%0.703SS**  cis-149.9174.8-7-99.9-19.3000111
669E23.6Very low27Very low177 Ų177139.6 Ų139.683%0.82771%0.71SS**  trans-68.4143.6176.6-54.3-175.8137.100113
670M27.1Very low27.1Very low178 Ų178136.8 Ų136.888%0.87770%0.703SS**  trans-137.5104145.3-80.2-161.9176.400110.1
671S23.6Very low27.4Very low116 Ų116137.3 Ų137.381%0.81171%0.706SS**  trans-78.3115.1160.8-72.70000109.1
672I30.3Very low27.5Very low135 Ų135139.2 Ų139.269%0.69271%0.711SS**  trans-108.389.8162.1-59.2-176.5000108.1N674I672-N674 PolarHBondContact O-N 3.18Å
673N25.3Very low27.5Very low118 Ų118137.8 Ų137.863%0.63172%0.715SS**  trans-71111.8162.9172.937.4000108.6
674N31.9Very low27.6Very low148 Ų148140.3 Ų140.379%0.79173%0.729SS**  trans-123.283.6167.5-96.2-11.8000109.9I672I672-N674 PolarHBondContact O-N 3.18Å
675Q26.7Very low27.8Very low134 Ų134143.1 Ų143.163%0.62674%0.741SS**  trans-66.8159.2156.8-67.6169.2-46.700110
676N26.8Very low27.7Very low127 Ų127138.8 Ų138.868%0.67974%0.736SS**  trans66.5100160.7-46.4-38.7000117.5
677L28.9Very low27.7Very low155 Ų155134.5 Ų134.581%0.81274%0.736SS**  -153.9116.8119.2-135.969.9000113.4
678I30.7Very low27.9Very low119 Ų119134.8 Ų134.861%0.6174%0.738SS**  trans28.3118.6133.2-51.5173.3000116.5
679Q26.3Very low27.8Very low188 Ų188134 Ų13488%0.87973%0.734SS**  cis8144.638.1-152.7178.717.700116.1
680S27Very low28.1Very low99 Ų99132.1 Ų132.169%0.69273%0.73SS**  trans-164148.6157.259.80000108
681I33.2Very low28.1Very low144 Ų144133.1 Ų133.174%0.73872%0.724SS**  cis-134.9134.120.8-65.5170.1000110.2N683I681-N683 WeakPolarHBondContact CG2-O 3.46Å
682I28Very low28.4Very low155 Ų155133.5 Ų133.580%0.79572%0.716SS**  trans-103.7157.5149-64.9172.8000105.6
683N27.4Very low28.5Very low128 Ų128133.2 Ų133.268%0.68472%0.716SS**  trans87128.7-165.4-49.2-21.3000109.6I681I681-N683 WeakPolarHBondContact CG2-O 3.46Å
684N28.6Very low28.9Very low136 Ų136134.1 Ų134.173%0.72772%0.721SS**  cis-156.5174.216.3-92.6-14000108.1
685D30.7Very low28.9Very low141 Ų141131.6 Ų131.675%0.75472%0.715SS**  cis-149.1179-5.7-132.9-53.1000110.2
686A25.9Very low29.3Very low77 Ų77134.3 Ų134.364%0.63673%0.727SS**  trans-87.8179.4172.200000113.5
687S27.1Very low29.6Very low115 Ų115135.9 Ų135.980%0.80473%0.731SS**  trans81145.5173.282.90000116.9
688S28Very low29.9Very low91 Ų91131.9 Ų131.964%0.63671%0.714SS**  cis-167.8157.1-22.4540000112.8
689N27.7Very low29.9Very low132 Ų132131.5 Ų131.571%0.70671%0.712SS**  trans67.6121.7143.7-67.4-15.1000121.2
690N28.8Very low30.2Very low139 Ų139124.3 Ų124.374%0.74368%0.681SS**  trans82.8151.9133.9-64.7-16.6000121.3
691R27Very low30.2Very low198 Ų198125.6 Ų125.675%0.74768%0.676SS**  cis-178.3118.7-25.2178.1176.4174.2-163.9-8.9110.7
692L31.1Very low30Very low124 Ų124122.9 Ų122.965%0.64967%0.67SS**  trans56.4175.5152.7-63178.6000118.7
693D31.3Very low29.8Very low130 Ų130122 Ų12270%0.69567%0.671SS**  cis-119.1-145.4-13.5-107.2-46.9000106.6
694D33.1Very low29.7Very low137 Ų137123.1 Ų123.173%0.73368%0.676SS**  cis-159.9166.9-1.3-149.2-28.1000110.2
695S32.9Very low29.6Very low95 Ų95122.9 Ų122.966%0.66468%0.679SS**  trans63.1142.3161.969.70000120.5
696E34.4Very low29.3Very low190 Ų190122.5 Ų122.589%0.88868%0.677SS**  cis-168.1158.5-12.5-115-171.1114.300108.9
697E33.2Very low29.2Very low161 Ų161124.1 Ų124.175%0.75268%0.679SS**  -125.8-89.6-72.1-179.6-155.8-138.700112.8L751E697-L751 WeakPolarHBondContact O-CD1 3.28Å
698P35.6Very low29.2Very low70 Ų70125.8 Ų125.846%0.45568%0.679SS.*  trans-133.6-179.5-159.843.4-24.4000117.9L751P698-L751 HydrophobicContact CB-CD1 4.23Å
699L31.6Very low29.1Very low111 Ų111130.3 Ų130.358%0.58168%0.682SS**  158.5133.3123.6-79.7-176.7000111.1Q748 L749L699-Q748 CarbonylContact O-C 3.51Å; L699-Q748 WeakPolarHBondContact O-CB 3.3Å; L699-L749 CarbonylContact C-O 3.52Å; L699-L749 VanDerWaalsContact C-O 3.29Å
700T30.9Very low29.2Very low37 Ų37132.6 Ų132.623%0.22769%0.689CS.*  cis-166.2111.2-32.216.20000110.7T747 Q748 L749T700-T747 CarbonylContact O-C 3.51Å; T700-Q748 PolarHBondContact O-N 2.77Å; T700-L749 VanDerWaalsContact C-N 3.33Å; T700-L749 VanDerWaalsContact CA-O 3.23Å; T700-L749 WeakPolarHBondContact CA-O 3.42Å; T700-L749 PolarHBondContact N-O 3.42Å
701H28.8Very low29.1Very low127 Ų127130.6 Ų130.659%0.58868%0.677SS**  trans66.2-173.6169.1-31.9-49000116.2T747 Q748 L749H701-T747 CarbonylContact C-O 3.27Å; H701-T747 CarbonylContact O-C 3.59Å; H701-T747 VanDerWaalsContact O-O 3.09Å; H701-Q748 CarbonylContact O-C 3.57Å; H701-Q748 PolarHBondContact O-N 2.98Å; H701-L749 PolarHBondContact N-O 3.38Å; H701-L749 WeakPolarHBondContact O-CA 3.29Å; H701-L749 PolarHBondContact O-N 3.2Å
702S27.3Very low29Very low86 Ų86129.8 Ų129.860%0.60168%0.676SS**  cis-151.6128.6-3.243.50000112.8T747S702-T747 PolarHBondContact OG-O 3.22Å
703V24.3Very low29Very low136 Ų136131.6 Ų131.682%0.82468%0.681SS**  trans42.3111.4138.2-169.70000121.9
704I24.5Very low28.7Very low152 Ų152133.9 Ų133.978%0.77969%0.687SS**  -141.8130122.7-71.3-165.4000108.8N706I704-N706 HydrophobicContact CG2-CB 4.18Å
705V26.8Very low28.5Very low131 Ų131135.6 Ų135.679%0.79470%0.697SS**  trans-87125.4159.6170.60000107.4
706N24.4Very low28.4Very low133 Ų133140.4 Ų140.471%0.71171%0.706SS**  trans-137.9123.5164.4-126.6-8.6000112.2I704I704-N706 HydrophobicContact CG2-CB 4.18Å
707T24.8Very low28Very low111 Ų111139 Ų13968%0.68170%0.704SS**  trans-71120.5169.547.80000109.5R709T707-R709 PolarHBondContact O-N 2.87Å
708N27Very low27.8Very low150 Ų150138.1 Ų138.180%0.80271%0.705SS**  trans-74.182.6168.2-82.413000110.4E710N708-E710 PolarHBondContact O-N 2.84Å
709R25.8Very low27.5Very low186 Ų186143 Ų14370%0.70272%0.719SS**  trans-7287.8163.6173.4-157.5-176.3-141.78.5107.8T707 L711T707-R709 PolarHBondContact O-N 2.87Å; R709-L711 VanDerWaalsContact C-N 3.28Å; R709-L711 HydrophobicContact CG-CG 4.19Å; R709-L711 PolarHBondContact O-N 2.99Å
710E29.8Very low27.3Very low181 Ų181142.8 Ų142.885%0.84672%0.722SS**  trans-70.790.1164.4-74.1178.3-175.200109.1N708N708-E710 PolarHBondContact O-N 2.84Å
711L26.9Very low27.2Very low96 Ų96146 Ų14650%0.50375%0.746SS.*  trans-112.3150.5151.4-70.5-175.9000107.2R709R709-L711 VanDerWaalsContact C-N 3.28Å; R709-L711 HydrophobicContact CG-CG 4.19Å; R709-L711 PolarHBondContact O-N 2.99Å
712Y25.3Very low27.1Very low182 Ų182144.5 Ų144.571%0.71475%0.751SS**  trans72.9133.9174.4-55.5-74.9000114.7
713E29.8Very low27.2Very low162 Ų162148.4 Ų148.476%0.75776%0.756SS**  cis-154.7-132.3-19.8-155.7158.2-125.400108.4
714E25.3Very low27.4Very low178 Ų178148.2 Ų148.283%0.83275%0.751SS**  trans65.178.4160.5-55.8-170.6-178.800117.2
715D29.1Very low27.6Very low173 Ų173146.5 Ų146.593%0.92575%0.751SS**SBend-144.754.8122.8-131.9-2.7000109.4
716F30.5Very low27.8Very low196 Ų196145.4 Ų145.486%0.8675%0.749SS**  trans-141.458.2-175.1-122.2-65.8000111.9
717N26.8Very low28.1Very low160 Ų160143 Ų14386%0.85675%0.748SS**  trans-156.7104.6157.4-96.7-48.3000109.8
718D28.5Very low28.3Very low142 Ų142146.7 Ų146.776%0.75975%0.751SS**  trans-138.2125.5151.8-139.57.6000109.4
719F29.5Very low28.5Very low173 Ų173146.2 Ų146.276%0.75974%0.744SS**  trans4186.3175.7-67.1-81.6000120
720T27.7Very low28.8Very low106 Ų106144.7 Ų144.765%0.6574%0.744SS**  9.1141.811169.60000116.6
721S27.6Very low28.8Very low104 Ų104140.6 Ų140.673%0.72774%0.736SS**  -177.8176.360.864.90000114.1
722S28Very low28.9Very low97 Ų97141.7 Ų141.768%0.67874%0.742SS**  trans82.3122.7146.4-1520000118.2
723K30.1Very low29.2Very low167 Ų167138.5 Ų138.573%0.72674%0.737SS**  cis-163.8152.8-21.5-122.4155.7-169.1168.60109.5
724N27.8Very low29.1Very low133 Ų133137.3 Ų137.371%0.71173%0.732SS**  trans37124.8149.3-59.50.3000120.5
725C28.6Very low29.2Very low116 Ų116134.8 Ų134.878%0.78472%0.724SS**  cis82.4156.543.8-640000115
726S30.8Very low29.2Very low108 Ų108132.1 Ų132.176%0.75571%0.709SS**  trans67.7154.7179.182.80000114.7
727A30.7Very low29.1Very low82 Ų82128.7 Ų128.768%0.67870%0.698SS**  cis-144.2167.49.300000108.5
728Y30.1Very low29.3Very low188 Ų188127.5 Ų127.574%0.73769%0.685SS**  cis-173.1175.5-7.3-107-171.1000106.4
729E30Very low29.2Very low141 Ų141130.2 Ų130.266%0.65969%0.685SS**  cis-151.8163.59.1-126.6-179.893.900108.8
730H32.4Very low29.1Very low154 Ų154128.1 Ų128.171%0.71368%0.681SS**  45.3146.695.1-66.1-20000117.9
731S29.3Very low29.2Very low95 Ų95131.6 Ų131.666%0.66469%0.687SS**  cis-174.9-167.6-11.457.10000108.1
732N29Very low29.2Very low118 Ų118133.7 Ų133.763%0.63168%0.684SS**  cis-161.4-178-1.8-140.621.5000110.1
733D30.9Very low29.2Very low115 Ų115134.4 Ų134.462%0.61568%0.68SS**  trans61.7148.2143-63.2-23.6000120.6
734Q28.6Very low29.1Very low138 Ų138132.5 Ų132.565%0.64568%0.676SS**  cis-161.8159.8-4-120.2175.5-69.200109.1
735D28.2Very low29.2Very low125 Ų125131.9 Ų131.967%0.66867%0.673SS**  trans53.7142.4135.8-62.70.4000121.4
736D28.6Very low29.2Very low116 Ų116133.7 Ų133.762%0.6267%0.67SS**  cis-169.3170.8-5.2-147.5-23.7000111.1
737M28.7Very low29.1Very low125 Ų125132.3 Ų132.362%0.61666%0.657SS**  trans62.8153.3149.8-64.5-170.8-166.700120.9
738K30.1Very low29.1Very low135 Ų135134.6 Ų134.659%0.58765%0.653SS**  cis-164.2157.5-12-115.6168.5-173.1162.80112.3
739R26.2Very low28.9Very low199 Ų199131.5 Ų131.575%0.75165%0.649SS**  trans71.2109.5144-75.5179.2-70-153.6-0.5121.8
740N27.5Very low28.7Very low128 Ų128128.7 Ų128.768%0.68465%0.645SS**  48127105.4-56.512.9000120.9
741K30.2Very low28.5Very low180 Ų180126.6 Ų126.678%0.78364%0.639SS**  -158.713189.3-104-170.9173.4-173.70110.2
742F27.6Very low28.3Very low148 Ų148130.7 Ų130.765%0.64965%0.645SS**  68.3138.292.7-74.8-144.2000112.1
743N27.6Very low28.2Very low111 Ų111132 Ų13259%0.59465%0.647SS**  cis-161.1147.521.7-12820000113.8
744I29Very low27.9Very low127 Ų127133.8 Ų133.865%0.65165%0.651SS**  46.3135.8112.9-66.7-173.3000118.6
745N28.9Very low27.9Very low120 Ų120134.4 Ų134.464%0.64266%0.659SS**  cis-159.6-175.75.2-124.932.3000117.1
746E28.3Very low27.9Very low154 Ų154137.1 Ų137.172%0.7267%0.665SS**  trans-67.2169.4-178.5-51.4145110.900118.2
747T29.7Very low27.9Very low80 Ų80138.9 Ų138.949%0.49167%0.669SS.*  trans177.6165152.818.80000108.6T700 H701 S702T700-T747 CarbonylContact O-C 3.51Å; H701-T747 CarbonylContact C-O 3.27Å; H701-T747 CarbonylContact O-C 3.59Å; H701-T747 VanDerWaalsContact O-O 3.09Å; S702-T747 PolarHBondContact OG-O 3.22Å
748Q31Very low27.8Very low129 Ų129143.4 Ų143.460%0.60368%0.681SS**  cis-173.2-4.7-33.6-113.4-56.5112.400114.6L699 T700 H701L699-Q748 CarbonylContact O-C 3.51Å; L699-Q748 WeakPolarHBondContact O-CB 3.3Å; T700-Q748 PolarHBondContact O-N 2.77Å; H701-Q748 CarbonylContact O-C 3.57Å; H701-Q748 PolarHBondContact O-N 2.98Å
749L26.2Very low27.8Very low124 Ų124143.6 Ų143.665%0.64969%0.688SS**  trans108.4167.5165.6-56.4173.9000119.4L699 T700 H701L699-L749 CarbonylContact C-O 3.52Å; L699-L749 VanDerWaalsContact C-O 3.29Å; T700-L749 VanDerWaalsContact C-N 3.33Å; T700-L749 VanDerWaalsContact CA-O 3.23Å; T700-L749 WeakPolarHBondContact CA-O 3.42Å; T700-L749 PolarHBondContact N-O 3.42Å; H701-L749 PolarHBondContact N-O 3.38Å; H701-L749 WeakPolarHBondContact O-CA 3.29Å; H701-L749 PolarHBondContact O-N 3.2Å
750S25.6Very low27.9Very low81 Ų81141.2 Ų141.257%0.56669%0.691SS**  trans80.9168156.180.80000123.2
751L27.2Very low28.1Very low111 Ų111143.2 Ų143.258%0.58169%0.693SS**  trans65.8128.1170.8-57.6168.7000118.1E697 P698E697-L751 WeakPolarHBondContact O-CD1 3.28Å; P698-L751 HydrophobicContact CB-CD1 4.23Å
752F25.1Very low28.2Very low181 Ų181140.6 Ų140.679%0.79469%0.688SS**  92.4135.553.7-114.3-96.2000114.7
753H26.8Very low28.6Very low146 Ų146140.2 Ų140.268%0.67669%0.693SS**  trans20.1125.6168-94.8-111000123.2
754Q25.7Very low28.6Very low152 Ų152141.6 Ų141.671%0.7170%0.7SS**  76.8105.6121.8-171.6173.7-37.900121.4
755N28.6Very low28.9Very low151 Ų151141.9 Ų141.981%0.80770%0.702SS**  trans170.1129.6140.9-87.3-38.6000106.9
756K28.4Very low29.3Very low182 Ų182142.3 Ų142.379%0.79171%0.705SS**  cis78.2122.921.6-146.7-177.6-175.7178.20115.2
757Q26.9Very low29.4Very low152 Ų152142.4 Ų142.471%0.7171%0.705SS**  trans65.2113179.1-61-66.49.900118
758Y26.8Very low29.6Very low221 Ų221146 Ų14687%0.86771%0.714SS**  -164.7101123.5-116.5-71.2000112.6
759N31.3Very low29.7Very low138 Ų138145.2 Ų145.274%0.73872%0.718SS**  174.881.2126.2-97-61.6000110
760N26.8Very low30.1Very low150 Ų150148.1 Ų148.180%0.80273%0.725SS**  trans-87.2130.6161.1-172.35.7000108.1
761K33.1Very low30.2Very low170 Ų170151.9 Ų151.974%0.73974%0.738SS**  trans-137.1121.5170.6-100.3-172.1176.2176.50112.4
762N32.5Very low30.4Very low125 Ų125154.6 Ų154.667%0.66875%0.745SS**  trans86.2103.5150.9-57.77.8000118.7
763N34.6Very low30.7Very low139 Ų139153.5 Ų153.574%0.74374%0.743SS**  81.275.2124.4-54.9-0.7000119.1
764N29.1Very low30.8Very low141 Ų141150.4 Ų150.475%0.75474%0.738SS**  22.5118.4100.7-173.132.2000117.6
765L34.7Very low31Very low133 Ų133149.3 Ų149.370%0.69674%0.736SS**  -165.6147.5121.9-12870.1000113.3
766D36.5Very low31.1Very low129 Ų129148.3 Ų148.369%0.6973%0.731SS**  trans50.882.2150.2-59.2-14.1000121.5
767E31.2Very low31.3Very low155 Ų155148.8 Ų148.872%0.72473%0.733SS**  24.3158.8102.2-135.8-160.1174.900122.2
768K33.7Very low31.3Very low156 Ų156148.3 Ų148.368%0.67874%0.735SS**  trans88.2114.3156.3-69.6-171.7177.377.30121.2
769T33Very low31.6Very low112 Ų112145.4 Ų145.469%0.68773%0.727SS**  102.8126.6126.552.60000123.4
770K35.6Very low31.8Very low186 Ų186145.6 Ų145.681%0.80972%0.723SS**  trans87.6105.7140.2-73.8158.2-171.6167.90119.8
771L27.3Very low32.2Very low160 Ų160147 Ų14784%0.83872%0.722SS**  trans-39.2142.2136.9-71.163.9000111.3
772K31.5Very low32Very low167 Ų167145.6 Ų145.673%0.72672%0.722SS**  174.8140.8115.7-100.6170.8172.4-176.30112.9
773Q31.2Very low32Very low159 Ų159144.3 Ų144.374%0.74372%0.723SS**  trans61.7155.4137.1-68.9166.1-26.500119.4
774S28.4Very low32Very low81 Ų81141.6 Ų141.657%0.56672%0.715SS**  cis178.5179.1-26.756.10000108.2
775N30.8Very low32Very low128 Ų128141.8 Ų141.868%0.68472%0.716SS**  trans75.1107.1148.3-66.4-21.3000121.2
776N29.1Very low31.8Very low131 Ų131140.3 Ų140.370%0.70172%0.717SS**  50.9108.8109.7-54.3-31.5000120.1
777K32.6Very low31.5Very low191 Ų191138.4 Ų138.483%0.8371%0.714SS**  -172.1127.194.2-94.2158.7-180170.30109.1
778L28.3Very low31.4Very low143 Ų143137.4 Ų137.475%0.74971%0.712SS**  66.2108.164.2-168.697.8000112.4
779K33.4Very low31.3Very low159 Ų159138.8 Ų138.869%0.69172%0.718SS**  173.7129.8120.2-98.4178.2173.3-171.60115
780H34.8Very low30.9Very low143 Ų143141.4 Ų141.466%0.66273%0.727SS**  trans66.3148.2147.9-56.7-39.4000118.1
781K35.6Very low30.5Very low179 Ų179137.8 Ų137.878%0.77873%0.725SS**  cis-148.5155.13-128.4161.5-170.7-179.80111.2
782N28.8Very low30.5Very low140 Ų140134.7 Ų134.775%0.74972%0.717SS**  trans-22.5159.5156.1-42.45.9000114.6
783S31.3Very low30.7Very low98 Ų98133.5 Ų133.569%0.68571%0.714SS**  cis-172156.543.1-162.30000116.7
784S34.6Very low30.9Very low83 Ų83134.3 Ų134.358%0.5872%0.715SS**  trans62.6110.7138.154.60000122.6
785N30.4Very low31.1Very low145 Ų145133.8 Ų133.878%0.77572%0.722SS**  82.693.6111-60.6-3.9000121.5
786S29.8Very low31.4Very low101 Ų101137.1 Ų137.171%0.70673%0.73SS**  81.9158.7101.4810000122.1
787S29.8Very low31.6Very low89 Ų89136.4 Ų136.462%0.62273%0.727SS**  trans107.697.9135.8-65.50000121.3
788I28.8Very low31.6Very low135 Ų135134 Ų13469%0.69272%0.719SS**  84.1138.4111.9-73.1165.9000120.2
789K31.8Very low32Very low184 Ų184133.3 Ų133.380%0.872%0.715SS**  trans70.2127.1165.4-77.2155.2-162.1172.90117
790L24.9Very low32Very low168 Ų168131 Ų13188%0.8871%0.71SS**  cis59.387.135.6-65.7170.4000115.7
791S27.9Very low32Very low110 Ų110131.7 Ų131.777%0.76971%0.711SS**  trans-174.6121.7139.541.50000107.9
792S27.3Very low31.9Very low95 Ų95129.5 Ų129.566%0.66470%0.704SS**  64.211271.8-165.60000111
793H35.3Very low32.1Very low142 Ų142133 Ų13366%0.65771%0.707SS**  -171162.177.4-115.1-25.2000114.2
794K34.8Very low32.2Very low176 Ų176132.7 Ų132.777%0.76570%0.704SS**  trans43.9117.7143.7-64156.2178.3154.20118
795G33Very low32.2Very low70 Ų70134.5 Ų134.572%0.72271%0.712SS**  cis119.9-172.17.400000112
796K37.6Very low32.3Very low198 Ų198135 Ų13586%0.86171%0.714SS**  trans74.8143.2-175.2-64.4-174.2178.1-174.50116.5
797N33.5Very low32.4Very low116 Ų116134.5 Ų134.562%0.6271%0.711SS**  cis-171.9150.2-33.5-115.619.1000109.1
798Q32.7Very low32.7Very low141 Ų141135.8 Ų135.866%0.65972%0.715SS**  trans68.2123.1136.4-68.7-177.1-66.200120.1
799L35Very low32.8Very low128 Ų128134.2 Ų134.267%0.6771%0.707SS**  87.514998.3-65.4-178.1000112.3
800D35Very low32.8Very low109 Ų109136.2 Ų136.258%0.58371%0.71SS**  cis-160.7165.6-2.7-116.8-14.8000116.2
801F34.4Very low33.4Very low158 Ų158134.1 Ų134.169%0.69370%0.704SS**  trans61.8113.3143.2-86.7-130000124.1
802E32.5Very low33.9Very low133 Ų133134.2 Ų134.262%0.62170%0.702SS**  71.9143.9114.6-77.2-144.4147.600125.1
803R32.9Very low34.4Very low215 Ų215134.6 Ų134.681%0.81170%0.702SS**  trans64.8130.3145.6-77.3173.9-177.7-105.2-7118.4
804S33.2Very low34.7Very low90 Ų90134.2 Ų134.263%0.62971%0.712SS**  cis174.917018.21720000108.2
805T36.3Very low34.8Very low122 Ų122131.3 Ų131.375%0.74871%0.709SS**  trans59.392.8156.237.40000119.8
806D32.2Very low35.1Very low154 Ų154136.7 Ų136.782%0.82471%0.712SS**  76154.2107.1-154.518.9000121.7
807S32.6Very low35.2Very low91 Ų91133.1 Ų133.164%0.63670%0.699SS**  trans78.9117.8164.176.40000120.4
808T34.5Very low35.2Very low116 Ų116135.6 Ų135.671%0.71270%0.704SS**  78.891.3124.1-54.70000121.3
809I32Very low35.3Very low102 Ų102137.4 Ų137.452%0.52371%0.71SS.*  78.3149.7129.5-62.5174.3000120.9D1288I809-D1288 HydrophobicContact CD1-CB 3.49Å; I809-D1288 VanDerWaalsContact CD1-CB 3.49Å; I809-D1288 WeakPolarHBondContact CD1-OD2 3.37Å
810R32.4Very low35.3Very low226 Ų226137.2 Ų137.285%0.85371%0.714SS**  trans95.3123.9152.6-108.3-174.5-175.5-1643121.2
811V36.2Very low35.3Very low124 Ų124136 Ų13675%0.75271%0.714SS**  trans71.6127.4151.9-166.50000118.6
812P38.3Very low35.3Very low112 Ų112134 Ų13473%0.72771%0.71SS**  trans-95.5-176.4169.741.1-37.4000112.2
813P38.8Very low35.6Very low104 Ų104135.2 Ų135.268%0.67572%0.716SS**  cis-119.8169.3-19.938.8-26.2000112.6V815P813-V815 PolarHBondContact O-N 2.93Å; P813-V815 VanDerWaalsContact O-N 3.12Å
814P42Very low35.7Very low134 Ų134129.7 Ų129.787%0.8771%0.71SS**  trans-79.795.1178.231.6-34.7000113.8
815V36.3Very low35.6Very low114 Ų114133 Ų13369%0.69172%0.721SS**  trans-79134.3151174.50000108.8P813P813-V815 PolarHBondContact O-N 2.93Å; P813-V815 VanDerWaalsContact O-N 3.12Å
816K39.6Very low35.5Very low183 Ų183132 Ų13280%0.79672%0.719SS**  trans-172146.9156.2-102.4139.3-175.3-1780111.9
817Q39Very low35.6Very low124 Ų124131.7 Ų131.758%0.57972%0.715SS**  cis-174.2-179.5-30.4-125.4173.7-0.700109.2
818F34.5Very low35.7Very low167 Ų167133 Ų13373%0.73272%0.715SS**  trans70.7143.9162.8-59.8-53.4000116.6
819K33.9Very low35.7Very low179 Ų179131.8 Ų131.878%0.77871%0.705SS**  cis-164.5165.6-16.5-134.9170.4-178.3179.80104.1
820V34.5Very low35.6Very low124 Ų124128.2 Ų128.275%0.75269%0.686SS**  cis-141.3177.117.6-168.30000108.1
821S34.7Very low35.5Very low84 Ų84121.7 Ų121.759%0.58767%0.674SS**  trans-55.9-179.2-175.873.10000118
822D36Very low35.1Very low116 Ų116121.5 Ų121.562%0.6267%0.665SS**  cis-153162.120.1-116.1-39000117.4
823H37.7Very low34.7Very low158 Ų158120.1 Ų120.173%0.73166%0.658SS**  trans48.1133.1150.9-61.3-29000126.3
824S35.1Very low34.3Very low99 Ų99123.7 Ų123.769%0.69266%0.663SS**  trans54.3111.2146540000119.6
825N31.8Very low33.7Very low161 Ų161121.1 Ų121.186%0.86165%0.649SS**  57.3118.678.2-67.8-12.6000114
826S33Very low33.3Very low100 Ų100124.4 Ų124.470%0.69965%0.654SS**  167.2115.8102.6-167.40000112.1
827I35Very low33.1Very low147 Ų147121 Ų12175%0.75465%0.653SS**  52.9137.2130-57.2175.5000119.3
828D35.2Very low32.6Very low119 Ų119121.3 Ų121.364%0.63666%0.659SS**  trans68.5100157.4-85.536.7000120.9
829N33.6Very low32.5Very low91 Ų91119.3 Ų119.349%0.48766%0.66SS.*  68.3100.6106.9-78.6-40.7000117.2R924N829-R924 PolarHBondContact O-NH2 3.23Å; N829-R924 VanDerWaalsContact O-NH2 3.14Å
830N31.3Very low32.4Very low26 Ų26117.5 Ų117.514%0.13965%0.654CS.*  92.7135.9110-119.416.6000112.5E922 Q923 R924 Q925N830-E922 WeakPolarHBondContact CA-O 3.35Å; N830-E922 PolarHBondContact N-O 3.46Å; N830-Q923 PolarHBondContact ND2-OE1 2.58Å; N830-Q923 WeakPolarHBondContact OD1-CA 3.43Å; N830-Q923 WeakPolarHBondContact OD1-CB 3.29Å; N830-Q923 WeakPolarHBondContact OD1-CG 3.21Å; N830-Q923 PolarHBondContact OD1-N 3.29Å; N830-Q923 PolarHBondContact OD1-OE1 2.99Å; N830-Q923 VanDerWaalsContact OD1-OE1 3.1Å; N830-R924 HydrophobicContact CB-CB 3.97Å; N830-R924 HydrophobicContact CB-CG 3.51Å; N830-R924 PolarHBondContact ND2-NH1 2.82Å; N830-R924 WeakPolarHBondContact O-CG 3.07Å; N830-R924 PolarHBondContact OD1-N 3.15Å; N830-Q925 VanDerWaalsContact ND2-CD 3.25Å; N830-Q925 PolarHBondContact ND2-NE2 3.2Å; N830-Q925 PolarHBondContact ND2-OE1 2.94Å
831C28.3Very low32.4Very low89 Ų89115.1 Ų115.160%0.60164%0.643SS**  trans-147.2144.2-177.956.70000115.7Q923 R924C831-Q923 CarbonylContact O-C 3.51Å; C831-R924 VanDerWaalsContact N-CB 3.32Å
832Q29.4Very low32.5Very low120 Ų120119.3 Ų119.356%0.56165%0.653SS**  trans-140.4135.8-172.5-142.4-165.442.500117.5R924Q832-R924 HydrophobicContact CB-CB 3.97Å
833S28.4Very low32.2Very low83 Ų83118.6 Ų118.658%0.5866%0.657SS**  trans82.9156.3144.985.30000122.5
834K30.3Very low32.1Very low179 Ų179114.9 Ų114.978%0.77865%0.654SS**  trans80.2100.3150.5-75.1165.8-173.4169.50121
835S29.7Very low32Very low81 Ų81117.1 Ų117.157%0.56666%0.658SS**  54.9143.9114.8610000120.1
836F29.1Very low31.8Very low183 Ų183114.4 Ų114.480%0.80365%0.647SS**  -162.3170.953.5-94.7-77.8000114.3
837S35Very low31.9Very low110 Ų110119.1 Ų119.177%0.76965%0.651SS**  trans68155.6143.656.70000120.7
838N27.8Very low31.7Very low131 Ų131116.9 Ų116.970%0.70164%0.64SS**  cis-167.8-165.6-38.8-143.151.9000107.4E840N838-E840 PolarHBondContact ND2-OE1 3.4Å
839V33.5Very low31.6Very low125 Ų125118.9 Ų118.976%0.75864%0.643SS**  trans76.6140.4162.6-1630000116.5
840E31.8Very low31.6Very low141 Ų141123.4 Ų123.466%0.65966%0.659SS**  cis163.2159.6-43.4-89160.4-94.500108.3N838N838-E840 PolarHBondContact ND2-OE1 3.4Å
841S34.6Very low31.9Very low75 Ų75131.4 Ų131.452%0.52469%0.692SS.*  cis-169.7-171.1-545.20000110.3
842H35.3Very low32.5Very low172 Ų172133.3 Ų133.380%0.79670%0.703SS**  trans74.8159.4162.7-51.4-52.9000120.1
843S31Very low32.8Very low101 Ų101130.7 Ų130.771%0.70671%0.709SS**  cis-173.5167.4-40.164.20000111.5
844A33.9Very low33Very low80 Ų80131 Ų13166%0.66172%0.717SS**  trans70.5153.9159.300000118.9
845N33.1Very low33.2Very low146 Ų146131.4 Ų131.478%0.78172%0.718SS**  cis-159.5132.6-13.1-109.8-6.5000114.5
846V29.5Very low33.2Very low103 Ų103135.5 Ų135.562%0.62473%0.726SS**  trans42153.8139.1-1410000123.8
847Y33.8Very low33.3Very low200 Ų200134.5 Ų134.578%0.78472%0.721SS**  trans100142.4148.4-71.2-33.6000120.1
848N31.2Very low33Very low99 Ų99137.7 Ų137.753%0.52972%0.722SS.*  cis-169.6151.3-20.3-145.1-15.1000112.9
849K33Very low33Very low161 Ų161135 Ų13570%0.771%0.713SS**  trans63.1161.3153.7-72.8152.3-173163.80117.7
850K33.8Very low33Very low187 Ų187136.4 Ų136.481%0.81371%0.711SS**  cis-154.7155-4-130.7167.8-177.5-1730113
851K37.8Very low33Very low194 Ų194135.9 Ų135.984%0.84371%0.713SS**  trans-70170.7156.8-84.1178.4178.4175.60111
852P40.8Very low32.8Very low128 Ų128137.2 Ų137.283%0.83172%0.722SS**  cis-136.6-169.725.339.7-18.7000114.9
853G35.1Very low32.6Very low65 Ų65133.6 Ų133.667%0.6772%0.716SS**  cis127.8159.5-8.700000115.2
854A33Very low32.6Very low91 Ų91133.9 Ų133.975%0.75272%0.718SS**  trans71.4156.5175.500000116.9
855K34.1Very low32.6Very low187 Ų187134.8 Ų134.881%0.81372%0.719SS**  cis-161131.5-13.2-107.1163.1-164171.80106.5
856K30.6Very low32.6Very low166 Ų166132.1 Ų132.172%0.72271%0.712SS**  84.2149.688.4-164.7178.7179.6179.80114.2
857F29.8Very low32.8Very low162 Ų162132 Ų13271%0.71172%0.715SS**  trans84.5130.3-177.8-58.1-79000113.7
858K29.4Very low32.8Very low178 Ų178126.5 Ų126.577%0.77471%0.707SS**  cis77.6124.845.3-171.4-174.2179.2-1740109.2
859S28.7Very low33.3Very low73 Ų73124.7 Ų124.751%0.5170%0.7SS.*  cis-170-178.11133.90000109.8
860H33.2Very low33.3Very low156 Ų156119.6 Ų119.672%0.72269%0.685SS**  trans71.2152.4164.5-64.2-66.7000114.6
861D31.7Very low33.3Very low130 Ų130115 Ų11570%0.69568%0.676SS**  cis-156.2-170-9.1-114.1-12.4000111.7
862S30.8Very low32.9Very low102 Ų102111.1 Ų111.171%0.71367%0.674SS**  trans-27.5154.5156.949.30000116.6
863S31.3Very low32.4Very low96 Ų96110.2 Ų110.267%0.67167%0.671SS**  cis-175.6-179.25.9430000109.8
864S31Very low32.1Very low107 Ų107111.7 Ų111.775%0.74867%0.671SS**  trans65.2143.615139.10000118.2
865S32Very low31.8Very low99 Ų99113.1 Ų113.169%0.69267%0.67SS**  cis-166.1-168.8-1.948.90000110.3
866S33.3Very low31.5Very low91 Ų91110 Ų11064%0.63667%0.667SS**  trans64.199.7144.649.80000119.6
867S34Very low31.4Very low99 Ų99106.6 Ų106.669%0.69266%0.664SS**  44.488.6124.860.60000117.8
868S35Very low31.3Very low86 Ų86103.9 Ų103.960%0.60167%0.665SS**  88.7-113.677.3-52.50000116.5
869P40.7Very low31.2Very low60 Ų60100.8 Ų100.839%0.3967%0.666SS.*  -125174.9-125.922.2-0.1000119M971 R972 E973P869-M971 HydrophobicContact CB-CB 3.99Å; P869-M971 HydrophobicContact CG-CB 4.42Å; P869-R972 HydrophobicContact CB-CB 4.3Å; P869-R972 HydrophobicContact CG-CB 4.31Å; P869-E973 CarbonylContact C-O 3.58Å; P869-E973 HydrophobicContact CB-CB 4.09Å; P869-E973 HydrophobicContact CG-CB 3.67Å
870S34.3Very low31.2Very low55 Ų55102 Ų10239%0.38567%0.674SS.*  cis167.5-173-23.771.60000113.8M971 R972 E973S870-M971 WeakPolarHBondContact CB-O 3.38Å; S870-M971 PolarHBondContact OG-O 2.87Å; S870-R972 PolarHBondContact OG-N 2.74Å; S870-E973 CarbonylContact C-O 3.46Å; S870-E973 VanDerWaalsContact C-O 3.27Å; S870-E973 VanDerWaalsContact CA-O 3.29Å; S870-E973 WeakPolarHBondContact CA-O 3.31Å; S870-E973 WeakPolarHBondContact CB-O 3.38Å; S870-E973 PolarHBondContact N-O 2.92Å; S870-E973 PolarHBondContact OG-N 2.82Å; S870-E973 PolarHBondContact OG-O 3.29Å
871S31.8Very low31Very low89 Ų89103.8 Ų103.862%0.62268%0.68SS**  trans77.5137.9149.567.40000124.8E973S871-E973 PolarHBondContact OG-O 3.2Å
872S31Very low30.8Very low114 Ų114108 Ų10880%0.79769%0.686SS**  trans56.898.9149.3620000123.1
873S29.5Very low30.6Very low109 Ų109109.2 Ų109.276%0.76268%0.684SS**  trans-162122143.8430000107
874S28.4Very low30.6Very low96 Ų96111.8 Ų111.867%0.67169%0.69SS**  78.1151.457.779.10000113.9
875T28.4Very low30.6Very low121 Ų121113.4 Ų113.474%0.74269%0.689SS**  trans66.6139.2163.351.40000116.6
876T27.8Very low30.7Very low122 Ų122114.1 Ų114.175%0.74869%0.691SS**  cis-158.5164.67.4-5.70000114
877S27.7Very low30.4Very low93 Ų93113.8 Ų113.865%0.6569%0.694SS**  trans58.8101.5142.765.70000121.4
878S27.3Very low30.4Very low106 Ų106114.7 Ų114.774%0.74170%0.695SS**  40.5128.295.9-460000121.1
879S27.8Very low30.4Very low112 Ų112116.6 Ų116.678%0.78370%0.698SS**  trans75.2146.3130-61.90000122.3
880S29.2Very low30.1Very low98 Ų98121.3 Ų121.369%0.68572%0.715SS**  trans74.4104.1146.7-71.20000121
881K29.1Very low29.9Very low195 Ų195122.8 Ų122.885%0.84873%0.73SS**  62144.2114.1-67.2171.8178.71760120.6
882R26.6Very low29.8Very low219 Ų219124.4 Ų124.483%0.82674%0.737SS**  trans80.9124.9153.2-81.9-177.9160.2-161.1-5119.2
883L27.1Very low29.8Very low126 Ų126125.3 Ų125.366%0.6673%0.732SS**  trans64.4128.1134.8-57.5168.8000116.8
884N31.3Very low29.8Very low151 Ų151129.1 Ų129.181%0.80773%0.731SS**  -154.5158.253.7-114.9-19.3000116.1
885I30.1Very low29.9Very low140 Ų140131.2 Ų131.272%0.71873%0.73SS**  trans-76141.1164.8-70.9158000108
886P34.5Very low30.1Very low115 Ų115131.7 Ų131.775%0.74773%0.728SS**  -120.3148.670.32.522000113.9
887A28Very low30.2Very low83 Ų83131 Ų13169%0.68673%0.728SS**  64.4139.17200000112.7
888V34Very low30.6Very low118 Ų118132.7 Ų132.772%0.71574%0.737SS**  -169141.871.5153.40000111.5
889N34.3Very low30.7Very low127 Ų127133.6 Ų133.668%0.67974%0.738SS**  trans72.8115.1155.2-66.41.2000125.2
890H33.9Very low30.7Very low159 Ų159134.4 Ų134.474%0.73673%0.732SS**  64.494.4120.7-59.2-51.7000123.5
891A29.7Very low31Very low86 Ų86137.5 Ų137.571%0.71174%0.736SS**  70.5175.198.800000122.2
892T30.4Very low31.1Very low123 Ų123136.5 Ų136.576%0.75573%0.731SS**  trans80.2119.715732.90000121.3
893L31Very low31.3Very low133 Ų133132 Ų13270%0.69673%0.728SS**  trans87.8101.1136.7-64.4170.7000121.2
894Y28.6Very low31.5Very low189 Ų189134.3 Ų134.374%0.74173%0.733SS**  83.5124.2110.3-87.3-146000122.3
895E31.3Very low31.8Very low140 Ų140132.9 Ų132.965%0.65473%0.725SS**  97139.6121-84.8-170.7-169.600124.9
896N31.9Very low31.9Very low130 Ų130132.9 Ų132.970%0.69573%0.727SS**  trans70107.6143.4-58.4-17.3000122.1
897S31.4Very low31.7Very low108 Ų108134.5 Ų134.576%0.75572%0.724SS**  trans-59.2164.3142.2-44.70000111.6
898P35.8Very low32Very low129 Ų129134.3 Ų134.384%0.83872%0.718SS**  -141179.2112.938.2-26.3000114.4
899T28.3Very low31.9Very low124 Ų124136.7 Ų136.776%0.76172%0.718SS**  trans-133.1171.3-171.9-470000110.4
900I29.2Very low31.8Very low130 Ų130137.9 Ų137.967%0.66773%0.725SS**  trans75.6118.4162.5-27.9171.9000116.8
901H34.1Very low31.7Very low163 Ų163138.7 Ų138.776%0.75573%0.731SS**  173.9106.9111-99.4-83.2000116.9
902K31.7Very low31.9Very low174 Ų174138.1 Ų138.176%0.75773%0.734SS**  trans18.1147.9133.6-78.9-179.7175.8176.20123.2
903T30Very low32Very low124 Ų124141.8 Ų141.876%0.76174%0.739SS**  trans73.6149.5146.448.70000117.8
904K31.2Very low32.1Very low175 Ų175145.9 Ų145.976%0.76175%0.752SS**  cis-156.1-163.95.6-137.4177.6-177.7-171.70112.4
905D38.2Very low32.3Very low121 Ų121145.8 Ų145.865%0.64776%0.755SS**  trans78.5117.9161-54-30.7000116.3
906N33.3Very low32.2Very low139 Ų139144.8 Ų144.874%0.74376%0.759SS**  93.6140.171.3-69.6-13.7000111.1
907E30.6Very low32.2Very low150 Ų150147 Ų14770%0.70177%0.768SS**  cis-162.9-173.6-19.9-147.3-160.9142.300108.5K909E907-K909 IonicContact OE1-NZ 3.95Å
908S32.4Very low32.1Very low78 Ų78148.8 Ų148.855%0.54577%0.765SS.*  trans64.495.7154.5-67.20000121.4
909K33Very low32Very low168 Ų168150.6 Ų150.673%0.7376%0.76SS**  38.1117.3112.6-52.9149.8-173.7151.10117.9E907E907-K909 IonicContact OE1-NZ 3.95Å
910N32.7Very low32.3Very low152 Ų152150.1 Ų150.181%0.81376%0.761SS**  -172.8161.4105.1-111.1-24.6000116.8
911M31.4Very low32.6Very low176 Ų176150.2 Ų150.287%0.86777%0.774SS**  trans-4.7144146.8-52.7-77.2-103.700117.8
912G33.3Very low32.7Very low74 Ų74149.3 Ų149.376%0.76377%0.77SS**  cis176.1-1725.200000113.6
913K32.7Very low32.9Very low201 Ų201145.7 Ų145.787%0.87476%0.756SS**  trans-67.6144.8-176.1-52.5164.6-175.8170.70112.3
914F32.3Very low33.2Very low219 Ų219143.3 Ų143.396%0.96173%0.733SS**  trans-146.1159.4141.6-100.6-70.5000112.6
915K34Very low33.5Very low187 Ų187138.9 Ų138.981%0.81372%0.715SS**  trans-112.8155.4-175-98-173.9175.1-176.50110.8
916T28.7Very low33.5Very low119 Ų119140.3 Ų140.373%0.7372%0.717SS**  trans33.9131.8134.4-47.40000120.2
917I31.9Very low33.6Very low175 Ų175138.7 Ų138.790%0.89772%0.717SS**  trans-166163.1134.8-102.1150.9000111.2
918E30.1Very low33.9Very low147 Ų147135.7 Ų135.769%0.68771%0.712SS**  trans-145.8160.6-168.2-173.4-163.2-127.700110
919K33.2Very low33.9Very low166 Ų166138.5 Ų138.572%0.72272%0.721SS**  trans97.6108.6161.7-55.8-174.7171.369.70122.1
920S33.6Very low33.9Very low114 Ų114139 Ų13980%0.79772%0.723SS**  49.3129.6112.1-43.40000126.5
921S36.8Very low34Very low132 Ų132138.7 Ų138.792%0.92372%0.719SS**  trans179.9167135.929.20000115
922E36.1Very low34Very low144 Ų144137.8 Ų137.867%0.67372%0.717SS**  trans-136.3175.5-145.1-89.5-164.974.500118.1N830N830-E922 WeakPolarHBondContact CA-O 3.35Å; N830-E922 PolarHBondContact N-O 3.46Å
923Q35.6Very low34.4Very low98 Ų98139.5 Ų139.546%0.45871%0.714SS.*  cis-175.3-67-2.8157.7-133.1119.400117.7N830 C831N830-Q923 PolarHBondContact ND2-OE1 2.58Å; N830-Q923 WeakPolarHBondContact OD1-CA 3.43Å; N830-Q923 WeakPolarHBondContact OD1-CB 3.29Å; N830-Q923 WeakPolarHBondContact OD1-CG 3.21Å; N830-Q923 PolarHBondContact OD1-N 3.29Å; N830-Q923 PolarHBondContact OD1-OE1 2.99Å; N830-Q923 VanDerWaalsContact OD1-OE1 3.1Å; C831-Q923 CarbonylContact O-C 3.51Å
924R36.2Very low34.6Very low75 Ų75134.4 Ų134.428%0.28370%0.704SS.*  trans39.7162.1-171.5-97.6-39156.3-145-15.9120N829 N830 C831 Q832 H926N829-R924 PolarHBondContact O-NH2 3.23Å; N829-R924 VanDerWaalsContact O-NH2 3.14Å; N830-R924 HydrophobicContact CB-CB 3.97Å; N830-R924 HydrophobicContact CB-CG 3.51Å; N830-R924 PolarHBondContact ND2-NH1 2.82Å; N830-R924 WeakPolarHBondContact O-CG 3.07Å; N830-R924 PolarHBondContact OD1-N 3.15Å; C831-R924 VanDerWaalsContact N-CB 3.32Å; Q832-R924 HydrophobicContact CB-CB 3.97Å; R924-H926 PolarHBondContact NH1-NE2 3.4Å
925Q36.9Very low34.8Very low81 Ų81130.5 Ų130.538%0.37969%0.693SS.*  cis77.7133.92.7-25.5167.4-1.100121N830N830-Q925 VanDerWaalsContact ND2-CD 3.25Å; N830-Q925 PolarHBondContact ND2-NE2 3.2Å; N830-Q925 PolarHBondContact ND2-OE1 2.94Å
926H38.8Very low35Very low152 Ų152129.5 Ų129.570%0.70469%0.691SS**  cis-131.1138.614-70.4-83.6000109.7R924R924-H926 PolarHBondContact NH1-NE2 3.4Å
927S36Very low35.2Very low104 Ų104130.6 Ų130.673%0.72769%0.688SS**  7314284.4-136.60000113.3
928S36.2Very low35.4Very low87 Ų87128.2 Ų128.261%0.60868%0.675SS**  cis-160.5173.816.7-43.50000114.7
929N31.7Very low35.5Very low137 Ų137123 Ų12373%0.73366%0.656SS**  trans93.8128.5134.1-75.8-23.5000125.8
930K34.6Very low35.5Very low178 Ų178122.7 Ų122.777%0.77465%0.654SS**  trans73.9150.9145-65.5174.5174.5-173.70119.8
931M33.4Very low35.5Very low147 Ų147122.5 Ų122.572%0.72465%0.653SS**  cis-164.1141.1-12-111.5160.562.700113.1
932L31.6Very low35.4Very low157 Ų157125 Ų12582%0.82265%0.652SS**  trans17.4166138.8-65.1170.3000123.8
933P43.1Very low35.4Very low109 Ų109123.4 Ų123.471%0.70865%0.654SS**  cis-145.8-152.5-29.239.9-16.4000116
934S35.5Very low35.3Very low94 Ų94125.9 Ų125.966%0.65768%0.676SS**  trans76.2149.9158.415.50000121.6
935D36.9Very low35.1Very low138 Ų138127.6 Ų127.674%0.73870%0.699SS**  cis-158.8165.8-1.8-105.3-30.8000115
936H37.3Very low35Very low165 Ų165127.5 Ų127.576%0.76472%0.72SS**  trans57.5167.8168.3-67.5-58.7000120.1
937E34.3Very low34.8Very low142 Ų142126.2 Ų126.266%0.66472%0.723SS**  -162.2-172.4-60.8-116.8-172.6-73.400110.1
938I35.5Very low34.7Very low125 Ų125130 Ų13064%0.64173%0.729SS**  cis-127.4-1156.3-170.1158.8000113.7N541N541-I938 WeakPolarHBondContact CB-O 3.41Å
939S32.8Very low34.7Very low39 Ų39134.4 Ų134.427%0.27374%0.737SS.*  trans-167.6162.3-172.859.70000119.7N541N541-S939 WeakPolarHBondContact O-CA 3.47Å; N541-S939 VanDerWaalsContact O-CB 3.3Å; N541-S939 WeakPolarHBondContact O-CB 3.42Å
940K32.8Very low34.7Very low158 Ų158138.1 Ų138.169%0.68774%0.742SS**  trans88.3150.7161.2-56.4142.9-169.2169.60118.5N541N541-K940 PolarHBondContact O-N 3.43Å
941S34Very low34.7Very low110 Ų110133.9 Ų133.977%0.76974%0.741SS**  cis-150.1144.616.453.80000117.9
942M35.3Very low34.7Very low186 Ų186132.8 Ų132.892%0.91675%0.747SS**  trans56.6155.1148.2-62.6-158.977.100125.5
943P34Very low35Very low110 Ų110133.8 Ų133.871%0.71475%0.745SS**  trans-132.7170.3-161.442.9-25.2000117.8
944V34.7Very low34.7Very low149 Ų149135 Ų13590%0.90375%0.75SS**  trans-136.1142.9158179.90000110.3
945S32.9Very low34.7Very low111 Ų111135.8 Ų135.878%0.77675%0.751SS**  trans-94.7144.3-171.457.40000115
946G34.3Very low34.7Very low79 Ų79137.3 Ų137.381%0.81475%0.747SS**  trans-150.990.716900000113.1
947T33.8Very low34.8Very low125 Ų125135.1 Ų135.177%0.76775%0.748SS**  trans-120.5118.5-175.853.60000112.9
948H34.3Very low34.8Very low184 Ų184134.4 Ų134.485%0.85275%0.753SS**  trans174.198.5149.6-98.1-70.7000106.6
949K36.5Very low34.8Very low180 Ų180137.1 Ų137.178%0.78376%0.763SS**  57.3104.766.8-83.7-164.3173.6-174.80115.5
950Y31.1Very low34.6Very low215 Ų215142 Ų14284%0.84379%0.787SS**  trans58.4101.9157-67.7-84.1000119.2
951A35.3Very low34.7Very low89 Ų89141.7 Ų141.774%0.73679%0.792SS**  trans-129.7119.3151.300000108.3K953A951-K953 PolarHBondContact O-N 3.36Å; A951-K953 VanDerWaalsContact O-N 3.07Å
952S32.8Very low34.5Very low124 Ų124145.3 Ų145.387%0.86779%0.794SS**  trans-80.982177.7-62.80000110.4V954S952-V954 PolarHBondContact O-N 2.91Å
953K37.1Very low34.5Very low177 Ų177145.2 Ų145.277%0.7779%0.792SS**  trans-75.5116.5169.4-75.5-168172.4-170.60110A951 V955A951-K953 PolarHBondContact O-N 3.36Å; A951-K953 VanDerWaalsContact O-N 3.07Å; K953-V955 HydrophobicContact CB-CG2 3.86Å; K953-V955 PolarHBondContact O-N 3.22Å
954V37Very low34.4Very low136 Ų136147 Ų14782%0.82480%0.795SS**  trans-71.2111.5154.4178.10000106.5S952S952-V954 PolarHBondContact O-N 2.91Å
955V36.7Very low34.1Very low110 Ų110147.1 Ų147.167%0.66779%0.79SS**PPolyproline II helixtrans-100.9116-177.6175.50000108.7K953K953-V955 HydrophobicContact CB-CG2 3.86Å; K953-V955 PolarHBondContact O-N 3.22Å
956Y36.4Very low34Very low169 Ų169148.8 Ų148.866%0.66379%0.791SS**PPolyproline II helixtrans-68.7135.6161.5-71.1-80.9000108.9T958Y956-T958 PolarHBondContact O-N 3.15Å
957P40.2Very low33.8Very low120 Ų120151.8 Ų151.878%0.77978%0.784SS**PPolyproline II helixtrans-69.3123.6-178.127.4-33.7000111.2
958T34Very low33.7Very low126 Ų126153.1 Ų153.177%0.77378%0.781SS**  trans-92.3115163.7-56.90000108.3Y956 N960Y956-T958 PolarHBondContact O-N 3.15Å; T958-N960 PolarHBondContact O-N 3.44Å
959E35.4Very low33.3Very low182 Ų182151.7 Ų151.785%0.8578%0.779SS**  trans-69.7118.5173.1-63.3-173.6140.800110.3
960N28.8Very low32.9Very low143 Ų143149.3 Ų149.377%0.76577%0.773SS**  trans-168.489.5164.7-104.7-48.8000111.2T958T958-N960 PolarHBondContact O-N 3.44Å
961N34Very low32.7Very low151 Ų151143.7 Ų143.781%0.80776%0.756SS**  trans-97.9114.5158.2-79.5-41.7000107.1
962K30.4Very low32.4Very low185 Ų185147.1 Ų147.180%0.80475%0.75SS**  53.8105.679.7-73.1-173.9173.51790113.6
963Q34.7Very low32.1Very low185 Ų185144.7 Ų144.786%0.86473%0.725SS**  -158.8136105.7-111.9171.4-21.900114
964N32.2Very low31.7Very low148 Ų148143.7 Ų143.779%0.79172%0.723SS**  trans32.8125157.2-63.35.2000122.7
965N27.9Very low31.2Very low150 Ų150141.2 Ų141.280%0.80271%0.712SS**  trans-54.6151.8152.6-42.9-34.6000112.1
966N31.8Very low30.7Very low146 Ų146142 Ų14278%0.78171%0.712SS**  trans158.5143.9144-85.63.2000108.8
967E29.6Very low30.2Very low143 Ų143145.4 Ų145.467%0.66872%0.724SS**  cis-165.4160.5-24.3-143.5-174.2-137.200107.8
968Q30.9Very low29.5Very low153 Ų153143.2 Ų143.272%0.71572%0.723SS**  trans62.8111.3164.5-58.2179.554.200117.2
969L26Very low29.3Very low153 Ų153142.7 Ų142.780%0.80173%0.725SS**  62.8138.184.9-86.789.2000115.5
970I28.1Very low28.9Very low130 Ų130138.1 Ų138.167%0.66771%0.713SS**  cis177.6-179.1-15.6-136.4175.8000108.3
971M27.2Very low28.6Very low98 Ų98138.6 Ų138.648%0.48372%0.715SS.*  trans110.9153.5161.8-63.7-62.7-173.900115P869 S870P869-M971 HydrophobicContact CB-CB 3.99Å; P869-M971 HydrophobicContact CG-CB 4.42Å; S870-M971 WeakPolarHBondContact CB-O 3.38Å; S870-M971 PolarHBondContact OG-O 2.87Å
972R28.7Very low28.2Very low160 Ų160135.5 Ų135.560%0.60471%0.705SS**  cis-173.9-24.6-37-130.6-142.474.976.96.9115.6P869 S870P869-R972 HydrophobicContact CB-CB 4.3Å; P869-R972 HydrophobicContact CG-CB 4.31Å; S870-R972 PolarHBondContact OG-N 2.74Å
973E27.5Very low27.9Very low73 Ų73131.4 Ų131.434%0.34170%0.7SS.*  trans-162.6-177.9-157.4-130.490.8-125.200109.8P869 S870 S871P869-E973 CarbonylContact C-O 3.58Å; P869-E973 HydrophobicContact CB-CB 4.09Å; P869-E973 HydrophobicContact CG-CB 3.67Å; S870-E973 CarbonylContact C-O 3.46Å; S870-E973 VanDerWaalsContact C-O 3.27Å; S870-E973 VanDerWaalsContact CA-O 3.29Å; S870-E973 WeakPolarHBondContact CA-O 3.31Å; S870-E973 WeakPolarHBondContact CB-O 3.38Å; S870-E973 PolarHBondContact N-O 2.92Å; S870-E973 PolarHBondContact OG-N 2.82Å; S870-E973 PolarHBondContact OG-O 3.29Å; S871-E973 PolarHBondContact OG-O 3.2Å
974Q28.5Very low27.5Very low156 Ų156128.1 Ų128.173%0.72969%0.693SS**  cis-157.5154.5-6.6-154.9-173.5112.400111.4
975S26.3Very low27.2Very low84 Ų84125.3 Ų125.359%0.58769%0.685SS**  trans87.3125.8147.5101.50000121.5
976N26.6Very low27.1Very low127 Ų127126.7 Ų126.768%0.67968%0.684SS**  trans62.999.4147-58.3-28.6000118.9
977R25.2Very low26.8Very low240 Ų240126.5 Ų126.591%0.90668%0.683SS**  90.8113.461.9-84.4178.9177.3-175.3-0.6112.4
978G26.6Very low26.7Very low74 Ų74128.5 Ų128.576%0.76369%0.689SS**  75.883126.100000119.4
979S29.4Very low26.6Very low116 Ų116127.1 Ų127.181%0.81169%0.691SS**  trans-138.4113.2134.2-690000105.8
980S25.5Very low26.8Very low85 Ų85124.1 Ų124.159%0.59468%0.683SS**  cis65.7127.947.691.80000113
981N24.5Very low27Very low153 Ų153124.2 Ų124.282%0.81869%0.685SS**  trans58.7145.6136.1-56.1-0.9000118.4
982S24.4Very low27.2Very low86 Ų86126.3 Ų126.360%0.60170%0.698SS**  cis-178162-8.946.90000108.1T984S982-T984 PolarHBondContact O-OG1 3.46Å
983S25.2Very low27.3Very low100 Ų100122.4 Ų122.470%0.69970%0.695SS**  trans56.4-165.2150.162.60000117.3
984T25.9Very low27.5Very low116 Ų116124.9 Ų124.971%0.71271%0.711SS**  trans51.4118.8150.735.20000118.9S982S982-T984 PolarHBondContact O-OG1 3.46Å
985S25.8Very low27.4Very low88 Ų88124.3 Ų124.362%0.61571%0.713SS**  cis160.8147.79.136.40000108.2
986F25.4Very low27.4Very low179 Ų179127.2 Ų127.279%0.78572%0.72SS**  trans57.6117142.4-68.7-51.1000122.8
987N25.6Very low27.3Very low142 Ų142125.8 Ų125.876%0.75973%0.726SS**  trans73.4160.5139.3-53.7-27.4000115.6
988K27.9Very low27.3Very low185 Ų185118.4 Ų118.480%0.80472%0.716SS**  cis-159.716618.7-157.6-179.5-178.5179.40109.9
989V28Very low27.3Very low125 Ų125119.3 Ų119.376%0.75871%0.711SS**  trans72.2125.5164.8-170.70000113.9
990S30Very low27.1Very low89 Ų89119.9 Ų119.962%0.62271%0.709SS**  cis-157.9148.9-0.342.50000114.4
991N32.4Very low27.1Very low132 Ų132120.6 Ų120.671%0.70671%0.71SS**  trans69.793.3142.8-61.77000120
992N32.9Very low27.2Very low143 Ų143118 Ų11877%0.76570%0.704SS**  78.2144.7113.5-65.83.4000120.5
993S29.1Very low27.5Very low78 Ų78123.7 Ų123.755%0.54571%0.712SS.*  cis-179.7155.8-23.849.20000108.8
994N32.5Very low27.6Very low125 Ų125124.9 Ų124.967%0.66871%0.711SS**  trans71.6117.7164.7-47.9-31.9000114.5
995N26.7Very low27.8Very low143 Ų143124.6 Ų124.677%0.76571%0.705SS**  63153.458.3-59.9-16000113.9
996I26.4Very low28.1Very low146 Ų146127.5 Ų127.575%0.74971%0.706SS**  trans72.576171.7-51125.2000111.9
997A25Very low28.4Very low97 Ų97124.4 Ų124.480%0.80270%0.698SS**  73.8-172.883.200000113.1
998A25.1Very low28.7Very low84 Ų84125 Ų12569%0.69469%0.694SS**  trans74129169.600000118.5
999S25.3Very low28.8Very low93 Ų93121.9 Ų121.965%0.6569%0.685SS**  trans56.8106.313362.30000119.8
1000T25Very low28.9Very low128 Ų128122 Ų12279%0.78568%0.681SS**  40.9169.9100.963.80000120.4
1001V26.7Very low28.9Very low101 Ų101121.6 Ų121.661%0.61268%0.675SS**  trans7784.9172.6-1690000113.2
1002S27.4Very low29Very low97 Ų97123 Ų12368%0.67868%0.678SS**  24.8131.4114.9-36.20000117.2
1003R28.7Very low29Very low206 Ų206122.2 Ų122.278%0.77767%0.673SS**  -161.3151.4100-101.5142.4-176.8150.8-0.5111.4
1004N28Very low29.2Very low126 Ų126124 Ų12467%0.67469%0.685SS**  14.9133.8119.8-3411.4000113.6
1005D30.9Very low29.2Very low110 Ų110122.7 Ų122.759%0.58869%0.686SS**  -160.814078.6-104.1-9.4000113.4
1006K31.9Very low29.3Very low149 Ų149123.3 Ų123.365%0.64869%0.688SS**  63.8140.4127.8-61.6-177175.577.40119.4
1007D32Very low29.4Very low113 Ų113120.6 Ų120.660%0.60468%0.682SS**  cis-161.1161.7-2.3-114.4-20.6000113.3
1008F30.4Very low29.6Very low156 Ų156120.1 Ų120.168%0.68467%0.673SS**  trans79.3114.6142.6-84.9-143.6000119.3
1009I31Very low29.8Very low119 Ų119123 Ų12361%0.6168%0.677SS**  77.5123.585.7-76.2-171.6000110.9
1010N29.2Very low30Very low126 Ų126123.6 Ų123.667%0.67468%0.681SS**  cis-158.2169.27-119.11.7000114
1011T30.7Very low30.4Very low81 Ų81122.8 Ų122.850%0.49768%0.678SS.*  22135.8126.5-240000117.3L1013T1011-L1013 HydrophobicContact CG2-CD1 4.09Å; T1011-L1013 HydrophobicContact CG2-CD2 4.41Å; T1011-L1013 HydrophobicContact CG2-CG 3.7Å
1012E34.4Very low30.4Very low162 Ų162122.6 Ų122.676%0.75768%0.68SS**  -141.7126.850.8-69.1-94.9123.600111.2
1013L32Very low30.4Very low127 Ų127124.9 Ų124.967%0.66568%0.684SS**  79.3151.981.2-73.4-173.5000115.3T1011T1011-L1013 HydrophobicContact CG2-CD1 4.09Å; T1011-L1013 HydrophobicContact CG2-CD2 4.41Å; T1011-L1013 HydrophobicContact CG2-CG 3.7Å
1014S33.8Very low30.5Very low115 Ų115120 Ų12080%0.80468%0.682SS**  trans73.1128.1179.4-35.50000114.8
1015S33.3Very low30.5Very low98 Ų98119 Ų11969%0.68569%0.685SS**  cis-160.9130.2-15.425.70000106.2
1016L28.2Very low30.5Very low156 Ų156118.5 Ų118.582%0.81769%0.69SS**  46.691.397.7-60.6174.1000110.9
1017S27.6Very low30.5Very low88 Ų88116 Ų11662%0.61569%0.692SS**  79167.876.271.30000112.3
1018S29.4Very low30.4Very low88 Ų88115.9 Ų115.962%0.61570%0.699SS**  trans46.3116150.656.60000116.9
1019D29.4Very low30.5Very low144 Ų144115.3 Ų115.377%0.7771%0.708SS**  -174151.459.4-115.3-37.5000116.4
1020S30Very low30.6Very low106 Ų106115.5 Ų115.574%0.74172%0.715SS**  trans72.2166.2138.481.40000118.9
1021P34.4Very low31.3Very low110 Ų110114.8 Ų114.871%0.71472%0.718SS**  trans-131.4-139.5-14941.7-22000112.5
1022C26.1Very low31.4Very low98 Ų98116.5 Ų116.566%0.66273%0.73SS**  trans82.7142.1168.5-55.80000117.1
1023D26.7Very low31.4Very low144 Ų144116.8 Ų116.877%0.7773%0.733SS**  trans42.6117.6141.3-44.7-24.1000117.8
1024S30.4Very low31.2Very low104 Ų104117.7 Ų117.773%0.72774%0.738SS**  -172.2161.660-60.10000113.3
1025S29.5Very low30.8Very low104 Ų104117 Ų11773%0.72773%0.733SS**  trans35.3127.8138.8660000118.9
1026S30Very low30.5Very low100 Ų100119.4 Ų119.470%0.69974%0.738SS**  cis153.3174.135.644.50000107.2
1027S32.9Very low30.6Very low98 Ų98119.7 Ų119.769%0.68574%0.735SS**  trans56.2103.2167.854.90000115.7
1028S28.1Very low30.5Very low109 Ų109120 Ų12076%0.76273%0.734SS**  cis5995.923.889.90000115.3
1029V34.3Very low30.5Very low145 Ų145124.4 Ų124.488%0.87974%0.742SS**  trans-135.7112.7144.4-177.20000108.3
1030T31.8Very low30.4Very low122 Ų122124 Ų12475%0.74874%0.736SS**  trans-124.3-178.1166.6530000107.3
1031P44.4Very low30.1Very low112 Ų112125.3 Ų125.373%0.72773%0.734SS**  -99.9-114.5-58.718.10.8000110.1
1032P32.9Very low29.8Very low117 Ų117127.6 Ų127.676%0.7674%0.738SS**  cis-129.9175.545.341.9-27.9000115.6
1033M33.4Very low29.8Very low168 Ų168129.2 Ų129.283%0.82874%0.74SS**  trans-96.6-153.1158.3-73.3-154.17100109.7
1034L28Very low29.8Very low145 Ų145128.6 Ų128.676%0.75974%0.741SS**  trans82141.1178.3-52.1176.1000114.4
1035S26.9Very low29.7Very low100 Ų100128.7 Ų128.770%0.69973%0.734SS**  cis-159.8174.8-13.648.20000110.5
1036D27.1Very low29.5Very low149 Ų149130.9 Ų130.980%0.79773%0.733SS**  trans-52.3152.1169.9-45-97.6000113.2
1037E29.9Very low29.5Very low162 Ų162135.6 Ų135.676%0.75774%0.741SS**  trans-147124.4135.3-144.8169.9-134.200112.7F1039E1037-F1039 HydrophobicContact CG-CE2 4.39Å
1038T25.8Very low29.2Very low96 Ų96137.9 Ų137.959%0.58974%0.74SS**  trans-83.2130.2-179.2-72.60000110.7
1039F28.6Very low29.3Very low180 Ų180141.4 Ų141.479%0.78974%0.743SS**  trans-131.381157.9-87.2-73.5000113.4E1037E1037-F1039 HydrophobicContact CG-CE2 4.39Å
1040H27.2Very low28.9Very low136 Ų136139.7 Ų139.763%0.6373%0.729SS**  trans24.5128.3135.7-76-63.1000121.1
1041L24.5Very low28.7Very low133 Ų133139.6 Ų139.670%0.69672%0.72SS**  56.8128.9125.9-58.7169.3000119.3
1042I27.4Very low27.8Very low157 Ų157137.3 Ų137.381%0.80571%0.706SS**  -154.3130.394.5-99.2156.4000109.7
1043N25.5Very low27.5Very low132 Ų132140.5 Ų140.571%0.70670%0.703SS**  trans-68139.6166-76.9-6.2000109.4
1044V27.4Very low27.2Very low132 Ų132139.6 Ų139.680%0.870%0.702SS**  trans-132.386.8133.2-172.80000108.7
1045N27.1Very low27.2Very low106 Ų106135.6 Ų135.657%0.56770%0.695SS**  trans50.3128136-59.132.6000120.1
1046E27.2Very low27.1Very low150 Ų150137.1 Ų137.170%0.70170%0.701SS**  20.4124.7111.4-50.8152.613500116.2
1047F28.3Very low27Very low198 Ų198135.2 Ų135.287%0.86869%0.694SS**  -137.2106.1103.8-126.5-81.5000111.1
1048E27.5Very low26.8Very low146 Ų146133.6 Ų133.668%0.68269%0.691SS**  trans-62.5128.7165.1168.4173.5-112.100109.8D1050E1048-D1050 HydrophobicContact CG-CB 3.87Å
1049F30.5Very low26.8Very low184 Ų184135.2 Ų135.281%0.80770%0.696SS**  trans-154.869.7157.7-131.5-76.3000107.7
1050D26.3Very low26.8Very low109 Ų109134.7 Ų134.758%0.58370%0.7SS**  62.6146.474.1-162.927.8000113.7E1048E1048-D1050 HydrophobicContact CG-CB 3.87Å
1051E26.8Very low26.7Very low120 Ų120137.4 Ų137.456%0.56171%0.71SS**  trans57.7152.1172.7-72.4-13098.900119.2R1053E1051-R1053 VanDerWaalsContact CD-NH1 3.33Å; E1051-R1053 IonicContact OE1-CZ 3.17Å; E1051-R1053 IonicContact OE1-NE 3.98Å; E1051-R1053 IonicContact OE1-NH1 2.8Å; E1051-R1053 PolarHBondContact OE1-NH1 3.3Å; E1051-R1053 IonicContact OE1-NH2 3.37Å; E1051-R1053 PolarHBondContact OE1-NH2 3.19Å; E1051-R1053 IonicContact OE2-NH1 3.03Å; E1051-R1053 PolarHBondContact OE2-NH1 2.8Å
1052S25.9Very low26.7Very low64 Ų64136.8 Ų136.845%0.44872%0.717SS.*  cis-175.1174.7-3861.40000106.6
1053R27Very low26.7Very low184 Ų184133.7 Ų133.769%0.69471%0.709SS**  trans63.4165.7157.5-64.4165.5-176123.95.1115.5E1051E1051-R1053 VanDerWaalsContact CD-NH1 3.33Å; E1051-R1053 IonicContact OE1-CZ 3.17Å; E1051-R1053 IonicContact OE1-NE 3.98Å; E1051-R1053 IonicContact OE1-NH1 2.8Å; E1051-R1053 PolarHBondContact OE1-NH1 3.3Å; E1051-R1053 IonicContact OE1-NH2 3.37Å; E1051-R1053 PolarHBondContact OE1-NH2 3.19Å; E1051-R1053 IonicContact OE2-NH1 3.03Å; E1051-R1053 PolarHBondContact OE2-NH1 2.8Å
1054N26.5Very low26.6Very low149 Ų149133.9 Ų133.980%0.79772%0.715SS**  cis-136.4146.7-39.3-109.8-11.8000106.4
1055G27.4Very low26.6Very low61 Ų61134.7 Ų134.763%0.62971%0.713SS**  trans-81.5-156.9179.700000113.3
1056T24.7Very low26.6Very low132 Ų132139.9 Ų139.981%0.8173%0.725SS**  trans88.5150145.7-45.60000116.5
1057V25.4Very low26.7Very low109 Ų109138.5 Ų138.566%0.66173%0.729SS**  trans58101167.2-74.50000120.6
1058N26.3Very low26.6Very low127 Ų127134 Ų13468%0.67972%0.717SS**  87.4135113.5-66.3-6.9000121.4
1059N25.1Very low26.8Very low131 Ų131133.9 Ų133.970%0.70173%0.726SS**  26.9119.7123.7-40.8-35.6000117.3
1060L28.7Very low26.6Very low169 Ų169130.2 Ų130.289%0.88572%0.719SS**  -164.4170.591.6-103.1163.5000112.8
1061K24.6Very low26.6Very low193 Ų193130 Ų13084%0.83973%0.726SS**  trans-78.5162.8178.3-58.9168.8-178.6172.90110.7
1062S26Very low26.6Very low119 Ų119128.6 Ų128.683%0.83274%0.735SS**  trans113.2145131.8-152.90000118.4
1063S26.3Very low26.8Very low92 Ų92130.6 Ų130.664%0.64375%0.749SS**  trans8091.8141.6-1720000122.2
1064V24.9Very low26.8Very low136 Ų136128.5 Ų128.582%0.82475%0.751SS**  60.8165.1123.4-1610000119.4
1065I26.9Very low26.9Very low150 Ų150128.6 Ų128.677%0.76975%0.75SS**  trans92.3104165-50.2-178.8000115.1
1066R26Very low26.9Very low215 Ų215130 Ų13081%0.81175%0.751SS**PPolyproline II helixtrans-77.7147.9161.1-52.6175.4-177.3-177-0.3109.4
1067P30.6Very low27.3Very low120 Ų120129.5 Ų129.578%0.77975%0.747SS**PPolyproline II helixtrans-87.4126.2141.2-15.131.7000109.7
1068V25.2Very low27.6Very low104 Ų104135.8 Ų135.863%0.6376%0.759SS**PPolyproline II helixtrans-95.1125.4160.3171.60000106.6
1069V31.6Very low27.9Very low143 Ų143132.8 Ų132.887%0.86776%0.758SS**  trans-127.8122160.9-173.60000108.7
1070T26.2Very low28.4Very low108 Ų108132.2 Ų132.266%0.66376%0.764SS**  trans-92.3176.8-162.6-42.50000111.8
1071S25.7Very low28.5Very low103 Ų103132.5 Ų132.572%0.7276%0.761SS**  trans75.597.2143.344.50000120.5
1072A27.3Very low28.9Very low91 Ų91128.5 Ų128.575%0.75276%0.755SS**  90.9163.6103.800000120.3
1073S29.9Very low29.2Very low106 Ų106129.8 Ų129.874%0.74176%0.758SS**  trans79.6142.4160.7-62.80000118.2
1074L27.1Very low29.2Very low140 Ų140130.2 Ų130.273%0.73376%0.756SS**  cis-169.3159-17.6-117.1178.2000108.8
1075L29Very low29.6Very low151 Ų151130.7 Ų130.779%0.79176%0.759SS**  trans66.5162.7157.8-62163.2000117.9
1076S27.4Very low29.6Very low92 Ų92129.9 Ų129.964%0.64375%0.752SS**  cis-172.8-174.9-31.6-168.90000109.9
1077V33.5Very low29.8Very low121 Ų121126.1 Ų126.173%0.73374%0.744SS**  trans71.490.6168.6-165.50000113.9
1078R31Very low29.9Very low241 Ų241128.9 Ų128.991%0.90974%0.743SS**  73.4130.269.2-74.4-176.9162.7-165.7-3.8115.1
1079G32.6Very low30.1Very low64 Ų64128 Ų12866%0.6674%0.742SS**  143.8105.7116.500000118
1080S36Very low30.2Very low118 Ų118128.3 Ų128.383%0.82574%0.739SS**  trans66.7150.4144.4-440000118.3
1081E31.8Very low30.6Very low175 Ų175128.6 Ų128.682%0.81874%0.74SS**  cis-153144.9-7.7-144.7163.5-148.100110.2
1082P32.1Very low30.8Very low110 Ų110131 Ų13171%0.71475%0.745SS**  trans-104.5154.5174.537.9-31.6000113.1
1083V32.1Very low31.2Very low146 Ų146131.5 Ų131.589%0.88574%0.741SS**  trans-119.2124.3165.7177.20000109.9
1084V27.1Very low31.3Very low101 Ų101133 Ų13361%0.61275%0.746SS**  trans-112.6135177.3174.50000109.1Q1086V1084-Q1086 HydrophobicContact CG1-CB 4.12Å
1085V31.9Very low31.4Very low146 Ų146130.4 Ų130.489%0.88574%0.739SS**  trans-132.8141.2147.8-175.60000107.7
1086Q28.4Very low31.5Very low133 Ų133131.8 Ų131.862%0.62174%0.738SS**  trans-139162.3-159.8179175.9-45.100109.3V1084V1084-Q1086 HydrophobicContact CG1-CB 4.12Å
1087E29.3Very low31.4Very low136 Ų136133.5 Ų133.564%0.63675%0.745SS**  trans65.8137.3163.4-90.2161.3-129.500118
1088K33.5Very low31.3Very low178 Ų178135.8 Ų135.877%0.77475%0.751SS**  -149.7165.453.7-120.7119-168175.70115.1
1089S28.3Very low31.1Very low85 Ų85128.6 Ų128.659%0.59474%0.738SS**  trans-68.5166.4165.155.20000112.2
1090D35.1Very low30.9Very low150 Ų150130.4 Ų130.480%0.80274%0.74SS**  -163.3177.1106-95.2-2.2000112.3
1091T34.5Very low30.5Very low113 Ų113131.2 Ų131.269%0.69374%0.736SS**  trans-111.6164.8-14563.50000116
1092N29.1Very low30.4Very low154 Ų154129.1 Ų129.182%0.82473%0.73SS**  trans79156.9150.7-82.8-33.9000119.3
1093P36.8Very low30.5Very low102 Ų102130.2 Ų130.266%0.66273%0.73SS**  trans-121.8170.8-152.342.1-30000113.6
1094T31.9Very low30.2Very low138 Ų138128.1 Ų128.185%0.84772%0.721SS**  trans-165.7141.5137.84.40000115
1095S28Very low30.5Very low84 Ų84131.5 Ų131.559%0.58774%0.736SS**  trans59.1132133.6-134.20000122.5
1096K31.4Very low30.5Very low180 Ų180133.2 Ų133.278%0.78373%0.732SS**  trans69.2111.2152-64.8150.9-171.7167.90116.4
1097V25.5Very low30.6Very low129 Ų129134 Ų13478%0.78274%0.739SS**  50.1100.578.8-177.10000112.3
1098I31Very low30.5Very low169 Ų169135 Ų13587%0.86774%0.744SS**  -147.8145.3128.2-101.5150.5000107.7
1099S26.2Very low30.4Very low90 Ų90136.3 Ų136.363%0.62974%0.744SS**  trans-97.7-175.2-179.3-500000110.6
1100S28.3Very low30.3Very low101 Ų101138.1 Ų138.171%0.70676%0.756SS**  trans67.7144.6158.532.70000115.9
1101D28.2Very low30.2Very low136 Ų136138.1 Ų138.173%0.72775%0.754SS**  cis-167.2177.21-116-19.6000111.1
1102N30.7Very low30Very low130 Ų130138.3 Ų138.370%0.69575%0.751SS**  trans85.1133148.8-68.2-33.8000122.5
1103N32.5Very low30.3Very low133 Ų133137 Ų13771%0.71175%0.751SS**  trans71.183.7139.3-61.8-5.9000120.4
1104S27.1Very low30Very low102 Ų102138.1 Ų138.171%0.71375%0.751SS**  40.6113.6112.964.30000118.5
1105N33.9Very low30.2Very low172 Ų172138.9 Ų138.992%0.9275%0.745SS**  trans-130.8143.6139.8-104.4-44000111.4
1106K30.8Very low30.4Very low182 Ų182141.6 Ų141.679%0.79175%0.748SS**  trans-82.4121.3179.9170.3-159.9172.9-165.20108.4
1107L31.5Very low30.3Very low149 Ų149140.6 Ų140.678%0.7876%0.757SS**  trans-150.7125.1163.7-112.8165.6000110.1
1108E26.8Very low30.5Very low158 Ų158138.6 Ų138.674%0.73875%0.745SS**  trans-70142.1166.2-71.6142.6108.200109.4
1109R32Very low30.3Very low206 Ų206136 Ų13678%0.77774%0.741SS**  trans-149.8111.1158.5-157.9167.3-65.9-164.40.6109.5
1110C25.6Very low30.6Very low123 Ų123135.6 Ų135.683%0.83174%0.744SS**  trans-60.2138.4164.4-55.90000108.3
1111I33Very low30.6Very low149 Ų149138.1 Ų138.176%0.76475%0.749SS**  trans-123.6112.5173.9-61.3-180000106.6
1112N30.2Very low30.9Very low117 Ų117137.5 Ų137.563%0.62675%0.751SS**  trans-64.3150171.8-65.5-20.4000109.3D1114N1112-D1114 HydrophobicContact CB-CB 4.35Å; N1112-D1114 PolarHBondContact O-N 3.05Å
1113P34.4Very low30.9Very low127 Ų127140.2 Ų140.283%0.82576%0.759SS**SBendtrans-65.3-14.2169.630-35.2000112.5H1115P1113-H1115 PolarHBondContact O-N 3.15Å
1114D32.1Very low30.9Very low126 Ų126141.1 Ų141.167%0.67476%0.764SS**  trans-78.354.2-176.5-54.5-63.7000114.2N1112N1112-D1114 HydrophobicContact CB-CB 4.35Å; N1112-D1114 PolarHBondContact O-N 3.05Å
1115H35.1Very low31.1Very low154 Ų154143.3 Ų143.371%0.71377%0.767SS**SBendtrans-136.1103.9163.1-95.1-9.2000113.5P1113P1113-H1115 PolarHBondContact O-N 3.15Å
1116Q31.2Very low31.2Very low140 Ų140142.9 Ų142.965%0.65477%0.765SS**  trans59.575.2142.3-57.7-169.671.800117.1T1118Q1116-T1118 HydrophobicContact CB-CG2 3.88Å; Q1116-T1118 HydrophobicContact CG-CG2 3.83Å; Q1116-T1118 PolarHBondContact O-N 2.72Å
1117V30.7Very low31.2Very low160 Ų160139.6 Ų139.697%0.9777%0.765SS**  trans-80.364.9134.6-173.10000107.7
1118T30.1Very low31.5Very low86 Ų86140.8 Ų140.853%0.52877%0.767SS.*  trans-76.3128.3172.439.40000109.4Q1116 A1120Q1116-T1118 HydrophobicContact CB-CG2 3.88Å; Q1116-T1118 HydrophobicContact CG-CG2 3.83Å; Q1116-T1118 PolarHBondContact O-N 2.72Å; T1118-A1120 PolarHBondContact O-N 2.74Å
1119S26.8Very low32.5Very low114 Ų114138 Ų13880%0.79776%0.764SS**  trans-62.693.5168490000110.4N1121S1119-N1121 PolarHBondContact O-N 2.72Å
1120A31.6Very low33.7Very low83 Ų83133.8 Ų133.869%0.68676%0.762SS**  trans-90.293.2169.300000109T1118 V1122T1118-A1120 PolarHBondContact O-N 2.74Å; A1120-V1122 PolarHBondContact O-N 3.32Å; A1120-V1122 VanDerWaalsContact O-N 3.14Å
1121N28Very low35.6Very low153 Ų153136.1 Ų136.182%0.81876%0.758SS**  trans-65.8109.3162.8-73.40.7000107.8S1119S1119-N1121 PolarHBondContact O-N 2.72Å
1122V35.8Very low37.7Very low124 Ų124130.9 Ų130.975%0.75273%0.734SS**  trans-123.4105.8157.5179.50000105.7A1120 N1124A1120-V1122 PolarHBondContact O-N 3.32Å; A1120-V1122 VanDerWaalsContact O-N 3.14Å; V1122-N1124 PolarHBondContact O-N 3.34Å
1123E29.3Very low40.3Very low187 Ų187128 Ų12887%0.87472%0.723SS**  trans-65.9120175.6-64.6171.1151.900108.4
1124N32.5Very low42.7Very low151 Ų151126.7 Ų126.781%0.80771%0.709SS**  trans-154.597.2164.5-146.7-6.3000108.6V1122 N1126V1122-N1124 PolarHBondContact O-N 3.34Å; N1124-N1126 PolarHBondContact O-N 2.97Å
1125D31.4Very low45.3Very low148 Ų148128.9 Ų128.979%0.79171%0.709SS**  trans-62.4118176.7-71.3-60.6000110
1126N35.9Very low47.8Very low163 Ų163125.8 Ų125.887%0.87270%0.698SS**  trans-166.1145.6139.5-102.7-61.9000111.9N1124N1124-N1126 PolarHBondContact O-N 2.97Å
1127S32Very low50.6Low114 Ų114119.7 Ų119.780%0.79767%0.67SS**  trans-71123.9-173.553.70000114.5
1128E37.8Very low53.4Low174 Ų174116.6 Ų116.681%0.81365%0.645SS**  -163.5149.2125.5-167.5156.1-157.500109.5T1130E1128-T1130 PolarHBondContact O-N 3.25Å; E1128-T1130 PolarHBondContact O-OG1 3.14Å
1129S46.1Very low56.1Low98 Ų98115.8 Ų115.869%0.68564%0.639SS**  trans-81.365.9-178.6530000112K1131S1129-K1131 PolarHBondContact O-N 3.23Å
1130T57.2Low59.2Low119 Ų119111.1 Ų111.173%0.7361%0.605SS**  trans-49.3113.5-174.9-37.10000111.4E1128E1128-T1130 PolarHBondContact O-N 3.25Å; E1128-T1130 PolarHBondContact O-OG1 3.14Å
1131K66.7Low62.1Low171 Ų171108.5 Ų108.574%0.74358%0.578SS**PPolyproline II helixtrans-59.1134.8175.1-67.5177.8-178.2173.90108.8S1129 S1133S1129-K1131 PolarHBondContact O-N 3.23Å; K1131-S1133 PolarHBondContact O-N 3.31Å
1132P77.9Confident65Low40 Ų40103.5 Ų103.526%0.2655%0.552SS.*PPolyproline II helixtrans-56.6135.8176.224.1-34.2000109.8N1136 L1137 I1218P1132-N1136 HydrophobicContact CB-CB 4.4Å; P1132-L1137 HydrophobicContact CB-CD2 3.98Å; P1132-L1137 HydrophobicContact CB-CG 4.1Å; P1132-L1137 HydrophobicContact CG-CD1 4.25Å; P1132-L1137 HydrophobicContact CG-CD2 3.57Å; P1132-L1137 HydrophobicContact CG-CG 3.95Å; P1132-I1218 HydrophobicContact CG-CD1 4.04Å; P1132-I1218 HydrophobicContact CG-CG2 4.46Å
1133S84Confident67.7Low57 Ų57101.3 Ų101.340%0.39953%0.53SS..PPolyproline II helixtrans-59.8153.3-178.667.60000111.3K1131 Y1135 N1136 L1137K1131-S1133 PolarHBondContact O-N 3.31Å; S1133-Y1135 PolarHBondContact O-N 2.87Å; S1133-Y1135 VanDerWaalsContact O-N 3.13Å; S1133-N1136 PolarHBondContact O-N 3.23Å; S1133-N1136 WeakPolarHBondContact OG-CB 3.45Å; S1133-N1136 PolarHBondContact OG-N 3.13Å; S1133-N1136 VanDerWaalsContact OG-N 3.17Å; S1133-N1136 PolarHBondContact OG-OD1 3.16Å; S1133-L1137 PolarHBondContact O-N 2.88Å
1134D84.9Confident70.7Confident98 Ų9892.7 Ų92.752%0.52449%0.49SS..Hα-helixtrans-54.5-34.6176.1-78.4-37.7000111.6L1137 E1138 R1211D1134-L1137 PolarHBondContact O-N 3.5Å; D1134-E1138 WeakPolarHBondContact O-CG 3.31Å; D1134-E1138 PolarHBondContact O-N 3.14Å; D1134-R1211 WeakPolarHBondContact OD1-CD 3.32Å
1135Y86.4Confident73.3Confident172 Ų17289.6 Ų89.668%0.67547%0.473SS*.Hα-helixtrans-62.7-47.4172.7179.1-99.9000112.7S1133 L1137 E1138 V1139S1133-Y1135 PolarHBondContact O-N 2.87Å; S1133-Y1135 VanDerWaalsContact O-N 3.13Å; Y1135-L1137 VanDerWaalsContact C-N 3.27Å; Y1135-L1137 PolarHBondContact O-N 3.31Å; Y1135-E1138 PolarHBondContact O-N 3.17Å; Y1135-V1139 HydrophobicContact CD1-CG2 4.42Å; Y1135-V1139 HydrophobicContact CE1-CG2 4Å; Y1135-V1139 HydrophobicContact CE2-CG2 4.29Å; Y1135-V1139 WeakPolarHBondContact O-CG2 3.44Å; Y1135-V1139 PolarHBondContact O-N 2.91Å
1136N87.8Confident76Confident90 Ų9088.8 Ų88.848%0.48146%0.459SS..Hα-helixtrans-64.2-35.3177.8-68.14.8000111.2P1132 S1133 L1140P1132-N1136 HydrophobicContact CB-CB 4.4Å; S1133-N1136 PolarHBondContact O-N 3.23Å; S1133-N1136 WeakPolarHBondContact OG-CB 3.45Å; S1133-N1136 PolarHBondContact OG-N 3.13Å; S1133-N1136 VanDerWaalsContact OG-N 3.17Å; S1133-N1136 PolarHBondContact OG-OD1 3.16Å; N1136-L1140 WeakPolarHBondContact O-CB 3.4Å; N1136-L1140 PolarHBondContact O-N 3.26Å
1137L90.3Very high78.6Confident12 Ų1282.4 Ų82.46%0.06342%0.424CS..Hα-helixtrans-71.2-37.3175.1-69-178.9000112.8P1132 S1133 D1134 Y1135 L1140 F1141 L1210 R1211 I1218P1132-L1137 HydrophobicContact CB-CD2 3.98Å; P1132-L1137 HydrophobicContact CB-CG 4.1Å; P1132-L1137 HydrophobicContact CG-CD1 4.25Å; P1132-L1137 HydrophobicContact CG-CD2 3.57Å; P1132-L1137 HydrophobicContact CG-CG 3.95Å; S1133-L1137 PolarHBondContact O-N 2.88Å; D1134-L1137 PolarHBondContact O-N 3.5Å; Y1135-L1137 VanDerWaalsContact C-N 3.27Å; Y1135-L1137 PolarHBondContact O-N 3.31Å; L1137-L1140 HydrophobicContact CD2-CD2 4.39Å; L1137-L1140 PolarHBondContact O-N 3.34Å; L1137-F1141 WeakPolarHBondContact O-CB 3.46Å; L1137-F1141 PolarHBondContact O-N 3.18Å; L1137-L1210 HydrophobicContact CB-CB 4.5Å; L1137-L1210 HydrophobicContact CB-CD1 4.43Å; L1137-L1210 HydrophobicContact CD1-CB 4.47Å; L1137-L1210 HydrophobicContact CD2-CB 4.11Å; L1137-L1210 HydrophobicContact CD2-CD1 4.48Å; L1137-L1210 VanDerWaalsContact O-CD1 3.27Å; L1137-L1210 WeakPolarHBondContact O-CD1 3.48Å; L1137-R1211 HydrophobicContact CD1-CB 4.25Å; L1137-R1211 HydrophobicContact CD1-CG 3.54Å; L1137-I1218 HydrophobicContact CD2-CD1 4.25Å; L1137-I1218 HydrophobicContact CD2-CG2 4.48Å
1138E88.3Confident81.2Confident95 Ų9583.5 Ų83.544%0.44441%0.411SS..Hα-helixtrans-63.8-45171.5-77.4-164.7-138.500111.2R394 D1134 Y1135 L1140 F1141 D1142R394-E1138 IonicContact CZ-OE2 2.88Å; R394-E1138 IonicContact NH2-OE2 3.16Å; R394-E1138 PolarHBondContact NH2-OE2 2.83Å; D1134-E1138 WeakPolarHBondContact O-CG 3.31Å; D1134-E1138 PolarHBondContact O-N 3.14Å; Y1135-E1138 PolarHBondContact O-N 3.17Å; E1138-L1140 VanDerWaalsContact C-N 3.34Å; E1138-L1140 PolarHBondContact O-N 3.08Å; E1138-F1141 WeakPolarHBondContact O-CB 3.34Å; E1138-F1141 PolarHBondContact O-N 2.88Å; E1138-D1142 WeakPolarHBondContact O-CB 3.3Å; E1138-D1142 PolarHBondContact O-N 2.95Å
1139V88.7Confident83.7Confident68 Ų6878.2 Ų78.241%0.41239%0.386SS..Hα-helixtrans-61.7-40.5175172.90000111.7Y1135 D1142 R1143Y1135-V1139 HydrophobicContact CD1-CG2 4.42Å; Y1135-V1139 HydrophobicContact CE1-CG2 4Å; Y1135-V1139 HydrophobicContact CE2-CG2 4.29Å; Y1135-V1139 WeakPolarHBondContact O-CG2 3.44Å; Y1135-V1139 PolarHBondContact O-N 2.91Å; V1139-D1142 PolarHBondContact O-N 2.68Å; V1139-R1143 WeakPolarHBondContact O-CB 3.05Å; V1139-R1143 VanDerWaalsContact O-CG 3.31Å; V1139-R1143 WeakPolarHBondContact O-CG 3.23Å; V1139-R1143 PolarHBondContact O-N 3.35Å; V1139-R1143 VanDerWaalsContact O-N 3.11Å
1140L91.7Very high85.6Confident16 Ų1677.4 Ų77.48%0.08438%0.378CS..Hα-helixtrans-61.9-48.9175.1-170.677.2000111.2N1136 L1137 E1138 D1142 R1143 L1144 L1210 I1218 T1222 I1225N1136-L1140 WeakPolarHBondContact O-CB 3.4Å; N1136-L1140 PolarHBondContact O-N 3.26Å; L1137-L1140 HydrophobicContact CD2-CD2 4.39Å; L1137-L1140 PolarHBondContact O-N 3.34Å; E1138-L1140 VanDerWaalsContact C-N 3.34Å; E1138-L1140 PolarHBondContact O-N 3.08Å; L1140-D1142 PolarHBondContact O-N 2.7Å; L1140-R1143 PolarHBondContact O-N 3.05Å; L1140-R1143 VanDerWaalsContact O-N 3.1Å; L1140-L1144 HydrophobicContact CD2-CD1 4.5Å; L1140-L1144 HydrophobicContact CG-CD1 4.19Å; L1140-L1144 HydrophobicContact CG-CG 4.45Å; L1140-L1144 WeakPolarHBondContact O-CG 3.29Å; L1140-L1144 PolarHBondContact O-N 2.78Å; L1140-L1210 HydrophobicContact CB-CD1 4.46Å; L1140-L1210 HydrophobicContact CD2-CD1 4.24Å; L1140-L1210 HydrophobicContact CD2-CD2 4.39Å; L1140-I1218 HydrophobicContact CD2-CG2 3.81Å; L1140-T1222 WeakPolarHBondContact CD1-OG1 3.46Å; L1140-I1225 HydrophobicContact CD1-CD1 3.53Å; L1140-I1225 HydrophobicContact CG-CD1 4.33Å
1141F91.6Very high87.2Confident28 Ų2875.2 Ų75.212%0.12336%0.36CS..Hα-helixtrans-56.9-47.5177.1-173.9-99.7000111.9L392 R394 L1137 E1138 R1143 L1144 I1145 L1210L392-F1141 HydrophobicContact CB-CE2 4.24Å; L392-F1141 HydrophobicContact CB-CZ 3.96Å; L392-F1141 HydrophobicContact CD1-CE2 4.31Å; R394-F1141 HydrophobicContact CG-CD1 4.23Å; R394-F1141 HydrophobicContact CG-CE1 3.53Å; R394-F1141 HydrophobicContact CG-CZ 4.26Å; L1137-F1141 WeakPolarHBondContact O-CB 3.46Å; L1137-F1141 PolarHBondContact O-N 3.18Å; E1138-F1141 WeakPolarHBondContact O-CB 3.34Å; E1138-F1141 PolarHBondContact O-N 2.88Å; F1141-R1143 PolarHBondContact O-N 3.44Å; F1141-L1144 PolarHBondContact O-N 3.25Å; F1141-I1145 HydrophobicContact CD1-CD1 3.68Å; F1141-I1145 HydrophobicContact CE1-CD1 3.26Å; F1141-I1145 HydrophobicContact CE2-CD1 4.31Å; F1141-I1145 HydrophobicContact CG-CD1 4.36Å; F1141-I1145 HydrophobicContact CZ-CD1 3.64Å; F1141-I1145 WeakPolarHBondContact O-CG1 3.21Å; F1141-I1145 PolarHBondContact O-N 3.29Å; F1141-I1145 VanDerWaalsContact O-N 3.1Å; F1141-L1210 HydrophobicContact CB-CD1 3.72Å; F1141-L1210 HydrophobicContact CD2-CD1 4.19Å; F1141-L1210 HydrophobicContact CG-CD1 4.46Å
1142D89.3Confident88.4Confident49 Ų4967.1 Ų67.126%0.26232%0.324SS..Hα-helixtrans-64.2-23.1178.8-118.349.7000112.5E1138 V1139 L1140 R1146E1138-D1142 WeakPolarHBondContact O-CB 3.3Å; E1138-D1142 PolarHBondContact O-N 2.95Å; V1139-D1142 PolarHBondContact O-N 2.68Å; L1140-D1142 PolarHBondContact O-N 2.7Å; D1142-R1146 VanDerWaalsContact CB-NH1 3.34Å; D1142-R1146 VanDerWaalsContact CG-NH1 3.28Å; D1142-R1146 WeakPolarHBondContact O-CD 3.37Å; D1142-R1146 VanDerWaalsContact O-CG 3.31Å; D1142-R1146 WeakPolarHBondContact O-CG 3.37Å; D1142-R1146 PolarHBondContact O-NH1 3.22Å; D1142-R1146 IonicContact OD2-CZ 2.68Å; D1142-R1146 IonicContact OD2-NH1 3.59Å; D1142-R1146 PolarHBondContact OD2-NH1 2.93Å; D1142-R1146 IonicContact OD2-NH2 3.01Å; D1142-R1146 PolarHBondContact OD2-NH2 2.96Å
1143R92Very high88.9Confident77 Ų7766 Ų6629%0.29132%0.319SS..Hα-helixtrans-89-39.7175.7-73.8-79.2-74.7157.6-4.5112.7V1139 L1140 F1141 I1145 R1146 L1147 I1225 E1229V1139-R1143 WeakPolarHBondContact O-CB 3.05Å; V1139-R1143 VanDerWaalsContact O-CG 3.31Å; V1139-R1143 WeakPolarHBondContact O-CG 3.23Å; V1139-R1143 PolarHBondContact O-N 3.35Å; V1139-R1143 VanDerWaalsContact O-N 3.11Å; L1140-R1143 PolarHBondContact O-N 3.05Å; L1140-R1143 VanDerWaalsContact O-N 3.1Å; F1141-R1143 PolarHBondContact O-N 3.44Å; R1143-I1145 VanDerWaalsContact C-N 3.26Å; R1143-I1145 PolarHBondContact O-N 3.38Å; R1143-R1146 CarbonylContact O-C 3.6Å; R1143-R1146 PolarHBondContact O-N 3.39Å; R1143-L1147 PolarHBondContact O-N 3.11Å; R1143-I1225 HydrophobicContact CB-CD1 3.71Å; R1143-I1225 HydrophobicContact CB-CG1 4.22Å; R1143-I1225 HydrophobicContact CB-CG2 4.37Å; R1143-E1229 IonicContact CZ-OE1 3.45Å; R1143-E1229 IonicContact NH1-OE1 3.49Å; R1143-E1229 PolarHBondContact NH1-OE1 2.78Å; R1143-E1229 IonicContact NH2-OE1 2.85Å; R1143-E1229 PolarHBondContact NH2-OE1 2.73Å
1144L92Very high89.2Confident6 Ų666.3 Ų66.33%0.03132%0.315CS..Hα-helixtrans-59.6-35.7173.2-69.3174.6000112.5L1140 F1141 R1146 L1147 M1156 L1210 L1221 I1225L1140-L1144 HydrophobicContact CD2-CD1 4.5Å; L1140-L1144 HydrophobicContact CG-CD1 4.19Å; L1140-L1144 HydrophobicContact CG-CG 4.45Å; L1140-L1144 WeakPolarHBondContact O-CG 3.29Å; L1140-L1144 PolarHBondContact O-N 2.78Å; F1141-L1144 PolarHBondContact O-N 3.25Å; L1144-R1146 PolarHBondContact O-N 3.49Å; L1144-L1147 WeakPolarHBondContact O-CG 3.22Å; L1144-M1156 HydrophobicContact CB-SD 3.79Å; L1144-M1156 HydrophobicContact CD1-SD 4.37Å; L1144-M1156 HydrophobicContact CD2-CG 4.45Å; L1144-M1156 HydrophobicContact CD2-SD 3.76Å; L1144-M1156 HydrophobicContact CG-SD 4.16Å; L1144-L1210 HydrophobicContact CD1-CD2 4.42Å; L1144-L1221 HydrophobicContact CD1-CB 4.16Å; L1144-L1221 HydrophobicContact CD1-CD1 4.12Å; L1144-L1221 HydrophobicContact CD1-CD2 4.21Å; L1144-L1221 HydrophobicContact CD1-CG 4.4Å; L1144-L1221 HydrophobicContact CD2-CB 4.09Å; L1144-L1221 HydrophobicContact CD2-CD2 4.19Å; L1144-I1225 HydrophobicContact CD2-CD1 3.73Å; L1144-I1225 HydrophobicContact CD2-CG1 3.92Å; L1144-I1225 HydrophobicContact CG-CD1 3.96Å
1145I87.3Confident89.6Confident87 Ų8765.8 Ų65.845%0.44631%0.306SS..THydrogen-bonded Turntrans-68.7-18.4174.6-73.9173.6000112.9L392 F1141 R1143L392-I1145 HydrophobicContact CB-CD1 4.25Å; L392-I1145 HydrophobicContact CD1-CD1 4.47Å; L392-I1145 HydrophobicContact CD1-CG1 4.06Å; F1141-I1145 HydrophobicContact CD1-CD1 3.68Å; F1141-I1145 HydrophobicContact CE1-CD1 3.26Å; F1141-I1145 HydrophobicContact CE2-CD1 4.31Å; F1141-I1145 HydrophobicContact CG-CD1 4.36Å; F1141-I1145 HydrophobicContact CZ-CD1 3.64Å; F1141-I1145 WeakPolarHBondContact O-CG1 3.21Å; F1141-I1145 PolarHBondContact O-N 3.29Å; F1141-I1145 VanDerWaalsContact O-N 3.1Å; R1143-I1145 VanDerWaalsContact C-N 3.26Å; R1143-I1145 PolarHBondContact O-N 3.38Å
1146R89.1Confident89.9Confident131 Ų13157.6 Ų57.649%0.49427%0.274SS..THydrogen-bonded Turntrans-113.115.9-174.2-62.5-176.7-171.4109.9-3.4113.9D1142 R1143 L1144 R1148D1142-R1146 VanDerWaalsContact CB-NH1 3.34Å; D1142-R1146 VanDerWaalsContact CG-NH1 3.28Å; D1142-R1146 WeakPolarHBondContact O-CD 3.37Å; D1142-R1146 VanDerWaalsContact O-CG 3.31Å; D1142-R1146 WeakPolarHBondContact O-CG 3.37Å; D1142-R1146 PolarHBondContact O-NH1 3.22Å; D1142-R1146 IonicContact OD2-CZ 2.68Å; D1142-R1146 IonicContact OD2-NH1 3.59Å; D1142-R1146 PolarHBondContact OD2-NH1 2.93Å; D1142-R1146 IonicContact OD2-NH2 3.01Å; D1142-R1146 PolarHBondContact OD2-NH2 2.96Å; R1143-R1146 CarbonylContact O-C 3.6Å; R1143-R1146 PolarHBondContact O-N 3.39Å; L1144-R1146 PolarHBondContact O-N 3.49Å; R1146-R1148 PolarHBondContact O-N 2.91Å
1147L90Very high90Very high28 Ų2854.2 Ų54.215%0.14726%0.257CS..  trans-53.1127.7169-68.4171.2000109.2R1143 L1144 L1152 M1156 I1225 D1228R1143-L1147 PolarHBondContact O-N 3.11Å; L1144-L1147 WeakPolarHBondContact O-CG 3.22Å; L1147-L1152 HydrophobicContact CD1-CB 4.4Å; L1147-M1156 HydrophobicContact CD1-CB 4.44Å; L1147-M1156 HydrophobicContact CD1-SD 4.01Å; L1147-I1225 HydrophobicContact CD2-CG1 4.28Å; L1147-D1228 HydrophobicContact CD2-CB 3.77Å
1148R86.9Confident90Very high138 Ų13858.8 Ų58.852%0.52128%0.278SS..  trans-80.3-37.9-178.9-69.7173.8159.8126.7-12.3111.3R1146 D1228 F1232R1146-R1148 PolarHBondContact O-N 2.91Å; R1148-D1228 PolarHBondContact N-OD1 2.85Å; R1148-D1228 PolarHBondContact N-OD2 3.36Å; R1148-F1232 VanDerWaalsContact NH1-CD1 3.25Å; R1148-F1232 VanDerWaalsContact NH2-CE2 3.34Å; R1148-F1232 VanDerWaalsContact NH2-CZ 3.28Å
1149E89Confident90.2Very high62 Ų6255.7 Ų55.729%0.2927%0.265SS..  trans-86.2123.5-172-76.5-61.2144.700112.8H1151 L1152 A1153 D1228 I1231E1149-H1151 PolarHBondContact O-N 3.49Å; E1149-H1151 IonicContact OE2-CE1 2.79Å; E1149-H1151 PolarHBondContact OE2-CE1 2.94Å; E1149-H1151 IonicContact OE2-ND1 2.63Å; E1149-H1151 PolarHBondContact OE2-ND1 3.24Å; E1149-L1152 HydrophobicContact CB-CB 4.24Å; E1149-L1152 HydrophobicContact CB-CD1 3.98Å; E1149-L1152 HydrophobicContact CB-CG 4Å; E1149-L1152 PolarHBondContact O-N 3.45Å; E1149-L1152 VanDerWaalsContact O-N 3.14Å; E1149-A1153 PolarHBondContact O-N 3.3Å; E1149-D1228 PolarHBondContact N-OD1 3.18Å; E1149-I1231 HydrophobicContact CG-CD1 4.06Å; E1149-I1231 HydrophobicContact CG-CG2 3.97Å
1150P87.4Confident90.4Very high81 Ų8152.5 Ų52.553%0.52625%0.245SC..Hα-helixtrans-64.4-29.4-178.226.3-34.3000112.2A1153 I1154P1150-A1153 WeakPolarHBondContact O-CB 3.31Å; P1150-A1153 PolarHBondContact O-N 3.1Å; P1150-I1154 WeakPolarHBondContact O-CG1 3.44Å; P1150-I1154 PolarHBondContact O-N 3.35Å
1151H89.4Confident90.3Very high74 Ų7454.6 Ų54.634%0.34326%0.256SS..Hα-helixtrans-72-28.3178.470.2-93.8000113E1149 R1155E1149-H1151 PolarHBondContact O-N 3.49Å; E1149-H1151 IonicContact OE2-CE1 2.79Å; E1149-H1151 PolarHBondContact OE2-CE1 2.94Å; E1149-H1151 IonicContact OE2-ND1 2.63Å; E1149-H1151 PolarHBondContact OE2-ND1 3.24Å; H1151-R1155 PolarHBondContact O-N 2.88Å; H1151-R1155 VanDerWaalsContact O-N 3.16Å
1152L91.9Very high90.2Very high0 Ų060.4 Ų60.40%028%0.278CS..Hα-helixtrans-73.7-33.5170.6-66.5178.2000111.4L1147 E1149 R1155 M1156 L1224 E1227 D1228 I1231L1147-L1152 HydrophobicContact CD1-CB 4.4Å; E1149-L1152 HydrophobicContact CB-CB 4.24Å; E1149-L1152 HydrophobicContact CB-CD1 3.98Å; E1149-L1152 HydrophobicContact CB-CG 4Å; E1149-L1152 PolarHBondContact O-N 3.45Å; E1149-L1152 VanDerWaalsContact O-N 3.14Å; L1152-R1155 PolarHBondContact O-N 3.1Å; L1152-M1156 WeakPolarHBondContact O-CB 3.31Å; L1152-M1156 PolarHBondContact O-N 3.44Å; L1152-L1224 HydrophobicContact CD2-CD2 3.81Å; L1152-E1227 HydrophobicContact CD1-CB 4.25Å; L1152-E1227 HydrophobicContact CD2-CB 4.11Å; L1152-E1227 HydrophobicContact CD2-CG 4.02Å; L1152-D1228 VanDerWaalsContact CD1-CA 3.47Å; L1152-D1228 HydrophobicContact CD1-CB 3.58Å; L1152-D1228 VanDerWaalsContact CD1-N 3.33Å; L1152-I1231 HydrophobicContact CD1-CD1 4.29Å
1153A89.8Confident90.1Very high17 Ų1759.2 Ų59.214%0.1427%0.27CS..Hα-helixtrans-66.1-36.9171.800000112.9L390 E1149 P1150 M1156 S1157L390-A1153 HydrophobicContact CD1-CB 4.17Å; E1149-A1153 PolarHBondContact O-N 3.3Å; P1150-A1153 WeakPolarHBondContact O-CB 3.31Å; P1150-A1153 PolarHBondContact O-N 3.1Å; A1153-M1156 PolarHBondContact O-N 3.41Å; A1153-S1157 PolarHBondContact O-N 3.36Å; A1153-S1157 VanDerWaalsContact O-N 3.14Å
1154I89Confident89.7Confident64 Ų6458.3 Ų58.333%0.32827%0.271SS..Hα-helixtrans-58.1-57.3169.8-65.2167.1000109.6I388 P1150 M1156 S1157 E1158I388-I1154 HydrophobicContact CD1-CB 4.27Å; I388-I1154 HydrophobicContact CD1-CG1 3.54Å; P1150-I1154 WeakPolarHBondContact O-CG1 3.44Å; P1150-I1154 PolarHBondContact O-N 3.35Å; I1154-M1156 VanDerWaalsContact C-N 3.26Å; I1154-M1156 PolarHBondContact O-N 3.16Å; I1154-S1157 WeakPolarHBondContact O-CA 3.47Å; I1154-S1157 WeakPolarHBondContact O-CB 3.5Å; I1154-S1157 PolarHBondContact O-N 3.14Å; I1154-S1157 PolarHBondContact O-OG 3.23Å; I1154-E1158 PolarHBondContact O-N 2.86Å; I1154-E1158 VanDerWaalsContact O-N 3.09Å
1155R93Very high89Confident86 Ų8661.8 Ų61.833%0.32530%0.295SS..Hα-helixtrans-60.6-32.1-179.3-76.6168.354.5-157.2-9.7113.6H1151 L1152 E1158 I1159 L1224 E1227H1151-R1155 PolarHBondContact O-N 2.88Å; H1151-R1155 VanDerWaalsContact O-N 3.16Å; L1152-R1155 PolarHBondContact O-N 3.1Å; R1155-E1158 WeakPolarHBondContact CA-OE2 3.36Å; R1155-E1158 PolarHBondContact O-N 3.27Å; R1155-I1159 WeakPolarHBondContact O-CB 3.49Å; R1155-I1159 WeakPolarHBondContact O-CD1 3.49Å; R1155-I1159 WeakPolarHBondContact O-CG1 3.41Å; R1155-I1159 PolarHBondContact O-N 2.85Å; R1155-L1224 HydrophobicContact CB-CD2 3.96Å; R1155-E1227 IonicContact CZ-OE1 2.61Å; R1155-E1227 IonicContact CZ-OE2 2.67Å; R1155-E1227 VanDerWaalsContact NH1-CD 3.25Å; R1155-E1227 IonicContact NH1-OE1 2.77Å; R1155-E1227 PolarHBondContact NH1-OE1 3.45Å; R1155-E1227 IonicContact NH1-OE2 3.51Å; R1155-E1227 PolarHBondContact NH1-OE2 3.49Å; R1155-E1227 VanDerWaalsContact NH1-OE2 3.11Å; R1155-E1227 IonicContact NH2-OE1 3.79Å; R1155-E1227 IonicContact NH2-OE2 3.44Å; R1155-E1227 PolarHBondContact NH2-OE2 2.88Å
1156M93.5Very high88Confident1 Ų160.2 Ų60.21%0.00530%0.296CS..Hα-helixtrans-62.2-43.2171.2-164-172.971.100111.5L390 L1144 L1147 L1152 A1153 I1154 I1159 L1160 L1221 L1224L390-M1156 HydrophobicContact CD1-CE 3.55Å; L390-M1156 HydrophobicContact CD2-CE 4.09Å; L390-M1156 HydrophobicContact CG-CE 4.37Å; L1144-M1156 HydrophobicContact CB-SD 3.79Å; L1144-M1156 HydrophobicContact CD1-SD 4.37Å; L1144-M1156 HydrophobicContact CD2-CG 4.45Å; L1144-M1156 HydrophobicContact CD2-SD 3.76Å; L1144-M1156 HydrophobicContact CG-SD 4.16Å; L1147-M1156 HydrophobicContact CD1-CB 4.44Å; L1147-M1156 HydrophobicContact CD1-SD 4.01Å; L1152-M1156 WeakPolarHBondContact O-CB 3.31Å; L1152-M1156 PolarHBondContact O-N 3.44Å; A1153-M1156 PolarHBondContact O-N 3.41Å; I1154-M1156 VanDerWaalsContact C-N 3.26Å; I1154-M1156 PolarHBondContact O-N 3.16Å; M1156-I1159 PolarHBondContact O-N 3.02Å; M1156-L1160 HydrophobicContact CE-CD1 4.06Å; M1156-L1160 HydrophobicContact CG-CD1 3.98Å; M1156-L1160 WeakPolarHBondContact O-CB 3.24Å; M1156-L1160 WeakPolarHBondContact O-CD1 3.47Å; M1156-L1160 VanDerWaalsContact O-CG 3.23Å; M1156-L1160 WeakPolarHBondContact O-CG 3.07Å; M1156-L1160 PolarHBondContact O-N 2.63Å; M1156-L1160 HydrophobicContact SD-CD1 4.48Å; M1156-L1221 HydrophobicContact CG-CD2 3.55Å; M1156-L1221 HydrophobicContact SD-CD2 4.43Å; M1156-L1224 HydrophobicContact CB-CD1 3.65Å; M1156-L1224 HydrophobicContact CG-CD1 3.97Å
1157S89.6Confident86.5Confident18 Ų1859 Ų5913%0.12629%0.294CS..Hα-helixtrans-64.8-39.3177.578.90000112.4A1153 I1154 L1160 L1161A1153-S1157 PolarHBondContact O-N 3.36Å; A1153-S1157 VanDerWaalsContact O-N 3.14Å; I1154-S1157 WeakPolarHBondContact O-CA 3.47Å; I1154-S1157 WeakPolarHBondContact O-CB 3.5Å; I1154-S1157 PolarHBondContact O-N 3.14Å; I1154-S1157 PolarHBondContact O-OG 3.23Å; S1157-L1160 PolarHBondContact O-N 3.21Å; S1157-L1161 WeakPolarHBondContact O-CB 3.48Å; S1157-L1161 VanDerWaalsContact O-CG 3.25Å; S1157-L1161 WeakPolarHBondContact O-CG 3.38Å; S1157-L1161 PolarHBondContact O-N 3.11Å
1158E89.9Confident84.4Confident108 Ų10862.9 Ų62.951%0.50532%0.323SS..Hα-helixtrans-63.3-48175.3-64.2169.3161.700111.7I1154 R1155 L1160 L1161 Y1162I1154-E1158 PolarHBondContact O-N 2.86Å; I1154-E1158 VanDerWaalsContact O-N 3.09Å; R1155-E1158 WeakPolarHBondContact CA-OE2 3.36Å; R1155-E1158 PolarHBondContact O-N 3.27Å; E1158-L1160 PolarHBondContact O-N 3.12Å; E1158-L1161 PolarHBondContact O-N 2.94Å; E1158-Y1162 WeakPolarHBondContact O-CB 3.44Å; E1158-Y1162 PolarHBondContact O-N 3.34Å
1159I92.9Very high81.9Confident31 Ų3162 Ų6216%0.15933%0.328CS..Hα-helixtrans-59.8-46.8176.3-74.8159.7000110.6R1155 M1156 Y1162 Y1163 K1220 L1221 L1224R1155-I1159 WeakPolarHBondContact O-CB 3.49Å; R1155-I1159 WeakPolarHBondContact O-CD1 3.49Å; R1155-I1159 WeakPolarHBondContact O-CG1 3.41Å; R1155-I1159 PolarHBondContact O-N 2.85Å; M1156-I1159 PolarHBondContact O-N 3.02Å; I1159-Y1162 PolarHBondContact O-N 3.17Å; I1159-Y1163 HydrophobicContact CG2-CD2 4.25Å; I1159-Y1163 HydrophobicContact CG2-CE2 4.41Å; I1159-Y1163 VanDerWaalsContact O-CD2 3.3Å; I1159-Y1163 WeakPolarHBondContact O-CD2 3.34Å; I1159-Y1163 PolarHBondContact O-N 3.24Å; I1159-K1220 HydrophobicContact CD1-CB 4.06Å; I1159-K1220 HydrophobicContact CG1-CB 4.49Å; I1159-K1220 HydrophobicContact CG2-CB 4.09Å; I1159-L1221 HydrophobicContact CG2-CD2 4.14Å; I1159-L1221 HydrophobicContact CG2-CG 4.29Å; I1159-L1224 HydrophobicContact CD1-CD1 3.93Å; I1159-L1224 HydrophobicContact CD1-CD2 4.36Å; I1159-L1224 HydrophobicContact CD1-CG 4.23Å
1160L93Very high79.2Confident0 Ų064.5 Ų64.50%034%0.344CS..Hα-helixtrans-64.1-46.6179.4-71.6166.5000111.7M1156 S1157 E1158 Y1162 Y1163 I1164 I1206 F1208 L1213 L1221M1156-L1160 HydrophobicContact CE-CD1 4.06Å; M1156-L1160 HydrophobicContact CG-CD1 3.98Å; M1156-L1160 WeakPolarHBondContact O-CB 3.24Å; M1156-L1160 WeakPolarHBondContact O-CD1 3.47Å; M1156-L1160 VanDerWaalsContact O-CG 3.23Å; M1156-L1160 WeakPolarHBondContact O-CG 3.07Å; M1156-L1160 PolarHBondContact O-N 2.63Å; M1156-L1160 HydrophobicContact SD-CD1 4.48Å; S1157-L1160 PolarHBondContact O-N 3.21Å; E1158-L1160 PolarHBondContact O-N 3.12Å; L1160-Y1162 PolarHBondContact O-N 3.5Å; L1160-Y1163 PolarHBondContact O-N 3.19Å; L1160-I1164 HydrophobicContact CB-CD1 4.33Å; L1160-I1164 WeakPolarHBondContact O-CB 3.46Å; L1160-I1164 WeakPolarHBondContact O-CD1 3.27Å; L1160-I1164 WeakPolarHBondContact O-CG1 3.44Å; L1160-I1164 PolarHBondContact O-N 3.23Å; L1160-I1206 HydrophobicContact CB-CG2 4.04Å; L1160-F1208 HydrophobicContact CD1-CD1 3.82Å; L1160-F1208 HydrophobicContact CD1-CE1 3.38Å; L1160-F1208 HydrophobicContact CD1-CZ 3.88Å; L1160-F1208 HydrophobicContact CD2-CB 4.44Å; L1160-F1208 HydrophobicContact CD2-CD1 3.82Å; L1160-F1208 HydrophobicContact CD2-CD2 3.98Å; L1160-F1208 HydrophobicContact CD2-CE1 3.96Å; L1160-F1208 HydrophobicContact CD2-CE2 4.12Å; L1160-F1208 HydrophobicContact CD2-CG 3.82Å; L1160-F1208 HydrophobicContact CD2-CZ 4.11Å; L1160-F1208 HydrophobicContact CG-CD1 4.37Å; L1160-F1208 HydrophobicContact CG-CE1 4.3Å; L1160-L1213 HydrophobicContact CD2-CD1 3.87Å; L1160-L1221 HydrophobicContact CD2-CD1 4.13Å; L1160-L1221 HydrophobicContact CD2-CD2 4.34Å; L1160-L1221 HydrophobicContact CG-CD2 4.3Å
1161L88.9Confident76.7Confident60 Ų6065.4 Ų65.431%0.31435%0.35SS..Hα-helixtrans-58.1-46.5177.1-76167.4000111.5S1157 E1158 Y1163 I1164 S1165 I1206S1157-L1161 WeakPolarHBondContact O-CB 3.48Å; S1157-L1161 VanDerWaalsContact O-CG 3.25Å; S1157-L1161 WeakPolarHBondContact O-CG 3.38Å; S1157-L1161 PolarHBondContact O-N 3.11Å; E1158-L1161 PolarHBondContact O-N 2.94Å; L1161-Y1163 PolarHBondContact O-N 3Å; L1161-I1164 PolarHBondContact O-N 3.24Å; L1161-S1165 WeakPolarHBondContact O-CB 3.4Å; L1161-S1165 PolarHBondContact O-N 3.44Å; L1161-S1165 PolarHBondContact O-OG 3.42Å; L1161-I1206 HydrophobicContact CD1-CD1 4.17Å; L1161-I1206 HydrophobicContact CD2-CD1 4.25Å; L1161-I1206 HydrophobicContact CD2-CG1 4.27Å; L1161-I1206 HydrophobicContact CG-CD1 3.88Å; L1161-I1206 HydrophobicContact CG-CG1 4.44Å
1162Y89.5Confident74Confident151 Ų15166 Ų6659%0.59236%0.362SS*.Hα-helixtrans-53.7-49.4176.9179.1-93.1000112.3E1158 I1159 L1160 A1166E1158-Y1162 WeakPolarHBondContact O-CB 3.44Å; E1158-Y1162 PolarHBondContact O-N 3.34Å; I1159-Y1162 PolarHBondContact O-N 3.17Å; L1160-Y1162 PolarHBondContact O-N 3.5Å; Y1162-A1166 WeakPolarHBondContact O-CB 3.37Å; Y1162-A1166 PolarHBondContact O-N 3.43Å
1163Y88Confident71.5Confident24 Ų2473.5 Ų73.59%0.09440%0.397CS..Hα-helixtrans-81.3-9.6-178.8-74.9-80000115.2I1159 L1160 L1161 K1167 P1214 S1216 C1217 K1220I1159-Y1163 HydrophobicContact CG2-CD2 4.25Å; I1159-Y1163 HydrophobicContact CG2-CE2 4.41Å; I1159-Y1163 VanDerWaalsContact O-CD2 3.3Å; I1159-Y1163 WeakPolarHBondContact O-CD2 3.34Å; I1159-Y1163 PolarHBondContact O-N 3.24Å; L1160-Y1163 PolarHBondContact O-N 3.19Å; L1161-Y1163 PolarHBondContact O-N 3Å; Y1163-K1167 VanDerWaalsContact O-CD 3.29Å; Y1163-K1167 WeakPolarHBondContact O-CD 3.44Å; Y1163-K1167 WeakPolarHBondContact O-CE 3.43Å; Y1163-K1167 WeakPolarHBondContact O-CG 3.35Å; Y1163-P1214 HydrophobicContact CD1-CG 3.9Å; Y1163-P1214 HydrophobicContact CE1-CG 4.31Å; Y1163-S1216 PolarHBondContact OH-O 3.47Å; Y1163-S1216 PolarHBondContact OH-OG 3.49Å; Y1163-S1216 VanDerWaalsContact OH-OG 3.1Å; Y1163-C1217 HydrophobicContact CD1-CB 3.87Å; Y1163-C1217 HydrophobicContact CD2-CB 3.45Å; Y1163-C1217 VanDerWaalsContact CD2-CB 3.45Å; Y1163-C1217 WeakPolarHBondContact CD2-SG 3.19Å; Y1163-C1217 HydrophobicContact CE1-CB 4.03Å; Y1163-C1217 HydrophobicContact CE2-CB 3.68Å; Y1163-C1217 HydrophobicContact CG-CB 3.56Å; Y1163-K1220 HydrophobicContact CE2-CD 3.88Å; Y1163-K1220 PolarHBondContact OH-NZ 3.48Å
1164I83.4Confident68.8Low58 Ų5882.7 Ų82.730%0.29743%0.428SS..Hα-helixtrans-88.7-51.1171.4-68162.9000109.4L1160 L1161 A1166 K1167 I1206 F1208L1160-I1164 HydrophobicContact CB-CD1 4.33Å; L1160-I1164 WeakPolarHBondContact O-CB 3.46Å; L1160-I1164 WeakPolarHBondContact O-CD1 3.27Å; L1160-I1164 WeakPolarHBondContact O-CG1 3.44Å; L1160-I1164 PolarHBondContact O-N 3.23Å; L1161-I1164 PolarHBondContact O-N 3.24Å; I1164-A1166 PolarHBondContact O-N 3.21Å; I1164-K1167 WeakPolarHBondContact O-CB 3.34Å; I1164-K1167 PolarHBondContact O-N 2.69Å; I1164-K1167 VanDerWaalsContact O-N 3.1Å; I1164-I1206 HydrophobicContact CD1-CG2 3.48Å; I1164-I1206 VanDerWaalsContact CD1-CG2 3.48Å; I1164-F1208 HydrophobicContact CD1-CB 4.21Å
1165S77.8Confident66Low78 Ų7888.2 Ų88.255%0.54545%0.45SS..Hα-helixtrans-61.2-40.8177-64.80000112.3L1161 K1167 S1168L1161-S1165 WeakPolarHBondContact O-CB 3.4Å; L1161-S1165 PolarHBondContact O-N 3.44Å; L1161-S1165 PolarHBondContact O-OG 3.42Å; S1165-K1167 PolarHBondContact O-N 3.11Å; S1165-S1168 PolarHBondContact O-N 2.72Å
1166A66.4Low63Low55 Ų5591.5 Ų91.546%0.45547%0.474SS..THydrogen-bonded Turntrans-65-5.8176.600000114.8Y1162 I1164Y1162-A1166 WeakPolarHBondContact O-CB 3.37Å; Y1162-A1166 PolarHBondContact O-N 3.43Å; I1164-A1166 PolarHBondContact O-N 3.21Å
1167K56.4Low60.2Low105 Ų105101.5 Ų101.546%0.45752%0.517SS..THydrogen-bonded Turntrans-101.7-3.6173.5-69.5174.3176.7174.30114.1Y1163 I1164 S1165 L1169 K1212Y1163-K1167 VanDerWaalsContact O-CD 3.29Å; Y1163-K1167 WeakPolarHBondContact O-CD 3.44Å; Y1163-K1167 WeakPolarHBondContact O-CE 3.43Å; Y1163-K1167 WeakPolarHBondContact O-CG 3.35Å; I1164-K1167 WeakPolarHBondContact O-CB 3.34Å; I1164-K1167 PolarHBondContact O-N 2.69Å; I1164-K1167 VanDerWaalsContact O-N 3.1Å; S1165-K1167 PolarHBondContact O-N 3.11Å; K1167-L1169 VanDerWaalsContact C-N 3.31Å; K1167-K1212 PolarHBondContact NZ-O 3.15Å
1168S45.9Very low57.3Low110 Ų110105.5 Ų105.577%0.76955%0.545SS*.SBendtrans-90.43.4174.2-161.30000112.9S1165S1165-S1168 PolarHBondContact O-N 2.72Å
1169L35.1Very low54.3Low118 Ų118108 Ų10862%0.61856%0.562SS**SBendtrans-96.3103.2173.7-79.2156.5000108.9K1167K1167-L1169 VanDerWaalsContact C-N 3.31Å
1170D33.2Very low51.3Low116 Ų116114.8 Ų114.862%0.6260%0.598SS**  trans-66.9136.8-180-156.68.4000110.1S1172D1170-S1172 PolarHBondContact O-N 3.4Å; D1170-S1172 PolarHBondContact OD2-OG 2.94Å
1171P34.1Very low48.3Very low100 Ų100119.7 Ų119.765%0.64963%0.632SS**G310 helixtrans-66.2-5.5-174.3-24.836.7000115.8
1172S33.8Very low45.3Very low87 Ų87124.7 Ų124.761%0.60866%0.658SS**G310 helixtrans-70.7-32.9-175.444.80000114.2D1170 R1174D1170-S1172 PolarHBondContact O-N 3.4Å; D1170-S1172 PolarHBondContact OD2-OG 2.94Å; S1172-R1174 PolarHBondContact O-N 3.26Å; S1172-R1174 VanDerWaalsContact O-N 3.14Å
1173E39.3Very low42.4Very low156 Ų156122.6 Ų122.673%0.72967%0.666SS**G310 helixtrans-75.31.9-176.3-62.9-168.6136.300114.7K1175E1173-K1175 VanDerWaalsContact C-N 3.25Å; E1173-K1175 PolarHBondContact O-N 3.38Å; E1173-K1175 VanDerWaalsContact O-N 3.09Å
1174R32.5Very low39.4Very low211 Ų211128.5 Ų128.580%0.79670%0.699SS**  trans-8742.7-177-61-165.9-165.6167.38.2114.7S1172S1172-R1174 PolarHBondContact O-N 3.26Å; S1172-R1174 VanDerWaalsContact O-N 3.14Å
1175K30.3Very low36.8Very low180 Ų180133.7 Ų133.778%0.78373%0.727SS**SBendtrans-135.6151.5162.7-66.5-175-178.9176.70108.6E1173E1173-K1175 VanDerWaalsContact C-N 3.25Å; E1173-K1175 PolarHBondContact O-N 3.38Å; E1173-K1175 VanDerWaalsContact O-N 3.09Å
1176N30Very low34.4Very low154 Ų154136.7 Ų136.782%0.82474%0.737SS**SBendtrans74.641.3179.9-52.3-10.1000117.2
1177K34.9Very low32.5Very low212 Ų212141 Ų14192%0.92275%0.753SS**  trans-140.134.2149.9-122.3167.5-170.3171.20114.2N1179K1177-N1179 PolarHBondContact O-N 2.83Å; K1177-N1179 VanDerWaalsContact O-N 3.11Å
1178S27.9Very low31.1Very low102 Ų102143.2 Ų143.271%0.71377%0.769SS**  trans-76.884.7168.252.40000110.6
1179N27.7Very low30.3Very low160 Ų160144.3 Ų144.386%0.85678%0.777SS**  trans-176.773.7155.8-95.6-18.2000111.5K1177K1177-N1179 PolarHBondContact O-N 2.83Å; K1177-N1179 VanDerWaalsContact O-N 3.11Å
1180L29.7Very low29.8Very low174 Ų174142.5 Ų142.591%0.91177%0.774SS**SBendtrans-166.1136.4144.6-105.5155.8000108.4
1181S28.8Very low29.6Very low102 Ų102143.4 Ų143.471%0.71378%0.779SS**  trans-65.3134.2-160.249.80000114.8
1182L26Very low29.3Very low165 Ų165149.7 Ų149.786%0.86480%0.797SS**  trans-63.9131.4149.8-75.476.4000108.4
1183S28.3Very low29Very low108 Ų108149.4 Ų149.476%0.75579%0.794SS**  trans-127.2117154.451.50000108.4N1185S1183-N1185 PolarHBondContact O-N 3.42Å
1184N25.9Very low28.4Very low148 Ų148152 Ų15279%0.79180%0.803SS**  trans-67.8131.8171.7-78.4-21.9000108.9
1185N28.7Very low28Very low166 Ų166145.5 Ų145.589%0.88880%0.802SS**  trans-142.7130.8141.1-105.2-29.6000109.4S1183S1183-N1185 PolarHBondContact O-N 3.42Å
1186N27Very low27.8Very low141 Ų141143 Ų14375%0.75480%0.802SS**  trans-74178.3170.1-70.3-37.3000109.8
1187N27Very low27.8Very low147 Ų147144.3 Ų144.379%0.78680%0.8SS**  trans81.584.3174.7-43.4-25.3000114.6
1188N27.7Very low27.7Very low151 Ų151138.7 Ų138.781%0.80778%0.783SS**  -165.3121.4108.5-93.8-28.7000112.2S1190N1188-S1190 PolarHBondContact O-N 2.92Å
1189S27.4Very low28Very low133 Ų133137.5 Ų137.593%0.9377%0.768SS**  trans-92.266.4177.1175.10000110.9
1190S25.9Very low29Very low80 Ų80134.5 Ų134.556%0.55975%0.749SS**  trans-158159.8174.951.50000111.1N1188N1188-S1190 PolarHBondContact O-N 2.92Å
1191N28.4Very low30Very low135 Ų135132.8 Ų132.872%0.72274%0.741SS**  trans83.750.9176.3-50.1-21000118.1S1193N1191-S1193 PolarHBondContact O-N 2.92Å
1192F28.6Very low30.9Very low232 Ų232134.1 Ų134.1100%1.01874%0.74SS**  trans-90.459.9145.5-102.9-78.9000109.9
1193S26.2Very low32.6Very low80 Ų80131.5 Ų131.556%0.55973%0.733SS**  trans-158.3139.5-179.8570000112.3N1191N1191-S1193 PolarHBondContact O-N 2.92Å
1194K27.4Very low34.3Very low210 Ų210132 Ų13291%0.91372%0.721SS**SBendtrans74.8117-177.9-51.5174.6-177.9177.80114.5
1195G24.3Very low36.6Very low76 Ų76131.2 Ų131.278%0.78472%0.716SS**  trans80.1128.2-171.500000111.7
1196V26.4Very low39Very low128 Ų128124.1 Ų124.178%0.77668%0.678SS**  cis-118.3133.98.9-178.40000110V1198V1196-V1198 VanDerWaalsContact C-N 3.33Å; V1196-V1198 HydrophobicContact CB-CG2 4.09Å; V1196-V1198 HydrophobicContact CG1-CG2 3.66Å; V1196-V1198 PolarHBondContact O-N 3.48Å
1197K28.9Very low41.6Very low181 Ų181121.2 Ų121.279%0.78767%0.674SS**  trans-83.975.9176-164.1-175.6-177.2-175.10109.8I1199K1197-I1199 VanDerWaalsContact C-N 3.26Å; K1197-I1199 HydrophobicContact CD-CD1 4.19Å; K1197-I1199 HydrophobicContact CD-CG1 4.38Å; K1197-I1199 HydrophobicContact CG-CD1 4.42Å; K1197-I1199 HydrophobicContact CG-CG1 4.06Å; K1197-I1199 PolarHBondContact O-N 3.24Å
1198V32.7Very low44.3Very low93 Ų93116 Ų11656%0.56464%0.644SS**  trans-73.181.3179.9-173.20000110V1196 H1200V1196-V1198 VanDerWaalsContact C-N 3.33Å; V1196-V1198 HydrophobicContact CB-CG2 4.09Å; V1196-V1198 HydrophobicContact CG1-CG2 3.66Å; V1196-V1198 PolarHBondContact O-N 3.48Å; V1198-H1200 WeakPolarHBondContact CG1-CE1 3.36Å; V1198-H1200 WeakPolarHBondContact CG1-NE2 3.46Å; V1198-H1200 PolarHBondContact O-N 2.99Å
1199I35.1Very low47.1Very low77 Ų77110.7 Ų110.740%0.39562%0.616SS.*  trans-70.4112.7170.4-56.2178.9000107.2K1197 D1201K1197-I1199 VanDerWaalsContact C-N 3.26Å; K1197-I1199 HydrophobicContact CD-CD1 4.19Å; K1197-I1199 HydrophobicContact CD-CG1 4.38Å; K1197-I1199 HydrophobicContact CG-CD1 4.42Å; K1197-I1199 HydrophobicContact CG-CG1 4.06Å; K1197-I1199 PolarHBondContact O-N 3.24Å; I1199-D1201 VanDerWaalsContact CG2-OD1 3.32Å; I1199-D1201 WeakPolarHBondContact CG2-OD1 3.47Å
1200H48.7Very low50Low98 Ų98104.8 Ų104.845%0.45457%0.574SS.*  trans-107.592.4170.9-78.6-17.5000108.8V1198 N1202 K1204V1198-H1200 WeakPolarHBondContact CG1-CE1 3.36Å; V1198-H1200 WeakPolarHBondContact CG1-NE2 3.46Å; V1198-H1200 PolarHBondContact O-N 2.99Å; H1200-N1202 PolarHBondContact O-N 3.43Å; H1200-N1202 VanDerWaalsContact O-N 3.14Å; H1200-K1204 PolarHBondContact CE1-NZ 2.89Å; H1200-K1204 WeakPolarHBondContact NE2-CE 3.23Å; H1200-K1204 PolarHBondContact NE2-NZ 2.91Å
1201D49.9Very low53Low137 Ų137107.6 Ų107.673%0.73357%0.572SS**SBendtrans-65.8-11.6177.5-57.5-62000113.1I1199I1199-D1201 VanDerWaalsContact CG2-OD1 3.32Å; I1199-D1201 WeakPolarHBondContact CG2-OD1 3.47Å
1202N48.9Very low55.8Low131 Ų131108.5 Ų108.570%0.70157%0.569SS**SBendtrans-109.6129.7174.2-74.4-58.1000111.8H1200 K1204H1200-N1202 PolarHBondContact O-N 3.43Å; H1200-N1202 VanDerWaalsContact O-N 3.14Å; N1202-K1204 PolarHBondContact O-N 3.44Å
1203P60.4Low58.7Low109 Ų10998 Ų9871%0.70852%0.524SS*.  trans-70.5110.7-17928.2-34.3000111.8
1204K64.3Low61.8Low120 Ų12096.6 Ų96.652%0.52251%0.513SS..  trans-78.8126.9176-69.4-174.4173.7179.40111.8H1200 N1202 I1206H1200-K1204 PolarHBondContact CE1-NZ 2.89Å; H1200-K1204 WeakPolarHBondContact NE2-CE 3.23Å; H1200-K1204 PolarHBondContact NE2-NZ 2.91Å; N1202-K1204 PolarHBondContact O-N 3.44Å; K1204-I1206 PolarHBondContact O-N 2.94Å
1205L74.1Confident64.7Low131 Ų13189.3 Ų89.369%0.68648%0.484SS*.  trans-79.7104.8171.6-171.398.4000110.2K391K391-L1205 HydrophobicContact CB-CD1 4.08Å
1206I80.5Confident67.9Low17 Ų1788.2 Ų88.29%0.08746%0.464CS..  trans-94.1107.4176-55.5170.2000109.1L392 L1160 L1161 I1164 K1204 F1208L392-I1206 WeakPolarHBondContact CD2-O 3.3Å; L1160-I1206 HydrophobicContact CB-CG2 4.04Å; L1161-I1206 HydrophobicContact CD1-CD1 4.17Å; L1161-I1206 HydrophobicContact CD2-CD1 4.25Å; L1161-I1206 HydrophobicContact CD2-CG1 4.27Å; L1161-I1206 HydrophobicContact CG-CD1 3.88Å; L1161-I1206 HydrophobicContact CG-CG1 4.44Å; I1164-I1206 HydrophobicContact CD1-CG2 3.48Å; I1164-I1206 VanDerWaalsContact CD1-CG2 3.48Å; K1204-I1206 PolarHBondContact O-N 2.94Å; I1206-F1208 HydrophobicContact CG2-CD1 4.29Å
1207A80.1Confident71.1Confident80 Ų8082.1 Ų82.166%0.66143%0.427SS*.  trans-96128.3174.600000111
1208F84.9Confident74.2Confident38 Ų3874.3 Ų74.317%0.16739%0.394CS..  trans-145.2156.5177.661.3-87.3000111.6L392 L1160 I1164 I1206 L1210 L1213L392-F1208 HydrophobicContact CD1-CE1 3.8Å; L392-F1208 HydrophobicContact CD1-CZ 3.73Å; L392-F1208 HydrophobicContact CD2-CD1 4.2Å; L392-F1208 HydrophobicContact CD2-CE1 3.54Å; L392-F1208 HydrophobicContact CD2-CZ 4.24Å; L392-F1208 HydrophobicContact CG-CE1 4.35Å; L1160-F1208 HydrophobicContact CD1-CD1 3.82Å; L1160-F1208 HydrophobicContact CD1-CE1 3.38Å; L1160-F1208 HydrophobicContact CD1-CZ 3.88Å; L1160-F1208 HydrophobicContact CD2-CB 4.44Å; L1160-F1208 HydrophobicContact CD2-CD1 3.82Å; L1160-F1208 HydrophobicContact CD2-CD2 3.98Å; L1160-F1208 HydrophobicContact CD2-CE1 3.96Å; L1160-F1208 HydrophobicContact CD2-CE2 4.12Å; L1160-F1208 HydrophobicContact CD2-CG 3.82Å; L1160-F1208 HydrophobicContact CD2-CZ 4.11Å; L1160-F1208 HydrophobicContact CG-CD1 4.37Å; L1160-F1208 HydrophobicContact CG-CE1 4.3Å; I1164-F1208 HydrophobicContact CD1-CB 4.21Å; I1206-F1208 HydrophobicContact CG2-CD1 4.29Å; F1208-L1210 HydrophobicContact CD2-CD2 3.96Å; F1208-L1210 HydrophobicContact CD2-CG 4.26Å; F1208-L1210 HydrophobicContact CE2-CD2 3.61Å; F1208-L1210 HydrophobicContact CE2-CG 3.96Å; F1208-L1213 HydrophobicContact CD2-CD1 4.04Å
1209D86Confident77Confident38 Ų3875.5 Ų75.520%0.20339%0.393CS..  trans-117114.5169.5-178.2-15.6000107.2R1211 K1212 L1213D1209-R1211 PolarHBondContact O-N 3.05Å; D1209-R1211 WeakPolarHBondContact OD1-CB 3.38Å; D1209-R1211 IonicContact OD1-CZ 3.94Å; D1209-R1211 PolarHBondContact OD1-N 3.17Å; D1209-R1211 VanDerWaalsContact OD1-N 3.07Å; D1209-R1211 IonicContact OD1-NE 3.16Å; D1209-R1211 PolarHBondContact OD1-NE 2.93Å; D1209-R1211 IonicContact OD1-NH2 3.05Å; D1209-R1211 PolarHBondContact OD1-NH2 2.84Å; D1209-R1211 IonicContact OD2-CZ 2.59Å; D1209-R1211 IonicContact OD2-NE 3.15Å; D1209-R1211 PolarHBondContact OD2-NE 3.47Å; D1209-R1211 IonicContact OD2-NH2 3.15Å; D1209-R1211 PolarHBondContact OD2-NH2 3.36Å; D1209-K1212 HydrophobicContact CB-CB 4.29Å; D1209-K1212 HydrophobicContact CB-CD 3.98Å; D1209-K1212 HydrophobicContact CB-CG 3.95Å; D1209-K1212 WeakPolarHBondContact O-CA 3.4Å; D1209-K1212 WeakPolarHBondContact O-CB 3.34Å; D1209-K1212 PolarHBondContact O-N 3.46Å; D1209-K1212 WeakPolarHBondContact OD2-CE 3.25Å; D1209-L1213 PolarHBondContact O-N 2.79Å
1210L88.8Confident79.8Confident10 Ų1076.2 Ų76.25%0.05239%0.394CS..G310 helixtrans-55.1-35.5-177.8-72.9179.1000112.2L1137 L1140 F1141 L1144 F1208 K1212 L1213 L1221L1137-L1210 HydrophobicContact CB-CB 4.5Å; L1137-L1210 HydrophobicContact CB-CD1 4.43Å; L1137-L1210 HydrophobicContact CD1-CB 4.47Å; L1137-L1210 HydrophobicContact CD2-CB 4.11Å; L1137-L1210 HydrophobicContact CD2-CD1 4.48Å; L1137-L1210 VanDerWaalsContact O-CD1 3.27Å; L1137-L1210 WeakPolarHBondContact O-CD1 3.48Å; L1140-L1210 HydrophobicContact CB-CD1 4.46Å; L1140-L1210 HydrophobicContact CD2-CD1 4.24Å; L1140-L1210 HydrophobicContact CD2-CD2 4.39Å; F1141-L1210 HydrophobicContact CB-CD1 3.72Å; F1141-L1210 HydrophobicContact CD2-CD1 4.19Å; F1141-L1210 HydrophobicContact CG-CD1 4.46Å; L1144-L1210 HydrophobicContact CD1-CD2 4.42Å; F1208-L1210 HydrophobicContact CD2-CD2 3.96Å; F1208-L1210 HydrophobicContact CD2-CG 4.26Å; F1208-L1210 HydrophobicContact CE2-CD2 3.61Å; F1208-L1210 HydrophobicContact CE2-CG 3.96Å; L1210-K1212 PolarHBondContact O-N 3.09Å; L1210-K1212 VanDerWaalsContact O-N 3.15Å; L1210-L1213 HydrophobicContact CD2-CD1 3.83Å; L1210-L1213 PolarHBondContact O-N 2.65Å; L1210-L1221 HydrophobicContact CD2-CD1 4.03Å
1211R87.5Confident82Confident139 Ų13971.6 Ų71.653%0.52537%0.372SS..G310 helixtrans-67.7-14179.6-57164-59.6-1785113D1134 L1137 D1209D1134-R1211 WeakPolarHBondContact OD1-CD 3.32Å; L1137-R1211 HydrophobicContact CD1-CB 4.25Å; L1137-R1211 HydrophobicContact CD1-CG 3.54Å; D1209-R1211 PolarHBondContact O-N 3.05Å; D1209-R1211 WeakPolarHBondContact OD1-CB 3.38Å; D1209-R1211 IonicContact OD1-CZ 3.94Å; D1209-R1211 PolarHBondContact OD1-N 3.17Å; D1209-R1211 VanDerWaalsContact OD1-N 3.07Å; D1209-R1211 IonicContact OD1-NE 3.16Å; D1209-R1211 PolarHBondContact OD1-NE 2.93Å; D1209-R1211 IonicContact OD1-NH2 3.05Å; D1209-R1211 PolarHBondContact OD1-NH2 2.84Å; D1209-R1211 IonicContact OD2-CZ 2.59Å; D1209-R1211 IonicContact OD2-NE 3.15Å; D1209-R1211 PolarHBondContact OD2-NE 3.47Å; D1209-R1211 IonicContact OD2-NH2 3.15Å; D1209-R1211 PolarHBondContact OD2-NH2 3.36Å
1212K87.8Confident84.1Confident153 Ų15368.4 Ų68.467%0.66536%0.358SS*.G310 helixtrans-102.2-10.6175.3-57.3-175.2-172.8-178.90112.7K1167 D1209 L1210K1167-K1212 PolarHBondContact NZ-O 3.15Å; D1209-K1212 HydrophobicContact CB-CB 4.29Å; D1209-K1212 HydrophobicContact CB-CD 3.98Å; D1209-K1212 HydrophobicContact CB-CG 3.95Å; D1209-K1212 WeakPolarHBondContact O-CA 3.4Å; D1209-K1212 WeakPolarHBondContact O-CB 3.34Å; D1209-K1212 PolarHBondContact O-N 3.46Å; D1209-K1212 WeakPolarHBondContact OD2-CE 3.25Å; L1210-K1212 PolarHBondContact O-N 3.09Å; L1210-K1212 VanDerWaalsContact O-N 3.15Å
1213L88.9Confident86.2Confident13 Ų1364.8 Ų64.87%0.06835%0.346CS..SBendtrans-75.1147.2178.3-63.8-176.4000110.8L1160 F1208 D1209 L1210 C1217 I1218 L1221L1160-L1213 HydrophobicContact CD2-CD1 3.87Å; F1208-L1213 HydrophobicContact CD2-CD1 4.04Å; D1209-L1213 PolarHBondContact O-N 2.79Å; L1210-L1213 HydrophobicContact CD2-CD1 3.83Å; L1210-L1213 PolarHBondContact O-N 2.65Å; L1213-C1217 HydrophobicContact CB-CB 4.24Å; L1213-I1218 HydrophobicContact CB-CG1 4.21Å; L1213-L1221 HydrophobicContact CD1-CD1 3.94Å
1214P91.9Very high87.8Confident49 Ų4959.7 Ų59.732%0.31831%0.313SS..  trans-67.1151.8173.9-17.533.1000110.8Y1163 S1216 C1217 I1218Y1163-P1214 HydrophobicContact CD1-CG 3.9Å; Y1163-P1214 HydrophobicContact CE1-CG 4.31Å; P1214-S1216 PolarHBondContact O-N 2.92Å; P1214-C1217 WeakPolarHBondContact O-CA 3.45Å; P1214-C1217 VanDerWaalsContact O-CB 3.26Å; P1214-C1217 WeakPolarHBondContact O-CB 3.44Å; P1214-C1217 PolarHBondContact O-N 3.21Å; P1214-I1218 PolarHBondContact O-N 2.89Å
1215N88.5Confident89.2Confident58 Ų5854.8 Ų54.831%0.3129%0.292SS..Hα-helixtrans-53.9-39.9178.5-67.26.7000112.1C1217 I1218 E1219N1215-C1217 PolarHBondContact O-N 3.17Å; N1215-C1217 VanDerWaalsContact O-N 3.15Å; N1215-I1218 CarbonylContact O-C 3.53Å; N1215-I1218 WeakPolarHBondContact O-CA 3.39Å; N1215-I1218 WeakPolarHBondContact O-CB 3.15Å; N1215-I1218 PolarHBondContact O-N 3.32Å; N1215-E1219 VanDerWaalsContact C-OE1 3.22Å; N1215-E1219 WeakPolarHBondContact CB-OE1 3.39Å; N1215-E1219 VanDerWaalsContact O-CG 3.31Å; N1215-E1219 WeakPolarHBondContact O-CG 3.35Å; N1215-E1219 PolarHBondContact O-N 3.19Å
1216S91.2Very high90.1Very high52 Ų5255.1 Ų55.136%0.36429%0.288SS..Hα-helixtrans-65.5-17176.466.40000115.4Y1163 P1214 E1219 K1220Y1163-S1216 PolarHBondContact OH-O 3.47Å; Y1163-S1216 PolarHBondContact OH-OG 3.49Å; Y1163-S1216 VanDerWaalsContact OH-OG 3.1Å; P1214-S1216 PolarHBondContact O-N 2.92Å; S1216-E1219 WeakPolarHBondContact CA-OE2 3.06Å; S1216-K1220 WeakPolarHBondContact O-CD 3.47Å; S1216-K1220 WeakPolarHBondContact O-CG 3.5Å
1217C93.7Very high90.7Very high0 Ų057.3 Ų57.30%030%0.298CS..Hα-helixtrans-80.2-44.8166.8-1750000110.7Y1163 L1213 P1214 N1215 E1219 K1220 L1221Y1163-C1217 HydrophobicContact CD1-CB 3.87Å; Y1163-C1217 HydrophobicContact CD2-CB 3.45Å; Y1163-C1217 VanDerWaalsContact CD2-CB 3.45Å; Y1163-C1217 WeakPolarHBondContact CD2-SG 3.19Å; Y1163-C1217 HydrophobicContact CE1-CB 4.03Å; Y1163-C1217 HydrophobicContact CE2-CB 3.68Å; Y1163-C1217 HydrophobicContact CG-CB 3.56Å; L1213-C1217 HydrophobicContact CB-CB 4.24Å; P1214-C1217 WeakPolarHBondContact O-CA 3.45Å; P1214-C1217 VanDerWaalsContact O-CB 3.26Å; P1214-C1217 WeakPolarHBondContact O-CB 3.44Å; P1214-C1217 PolarHBondContact O-N 3.21Å; N1215-C1217 PolarHBondContact O-N 3.17Å; N1215-C1217 VanDerWaalsContact O-N 3.15Å; C1217-E1219 VanDerWaalsContact C-N 3.31Å; C1217-E1219 PolarHBondContact O-N 2.71Å; C1217-K1220 PolarHBondContact O-N 3.2Å; C1217-L1221 VanDerWaalsContact O-CG 3.3Å; C1217-L1221 WeakPolarHBondContact O-CG 3.39Å; C1217-L1221 PolarHBondContact O-N 3.47Å
1218I93.5Very high91.3Very high17 Ų1753.7 Ų53.79%0.08727%0.267CS..Hα-helixtrans-61.7-39.5178.5-61.4169.3000111P1132 L1137 L1140 L1213 P1214 N1215 L1221 T1222P1132-I1218 HydrophobicContact CG-CD1 4.04Å; P1132-I1218 HydrophobicContact CG-CG2 4.46Å; L1137-I1218 HydrophobicContact CD2-CD1 4.25Å; L1137-I1218 HydrophobicContact CD2-CG2 4.48Å; L1140-I1218 HydrophobicContact CD2-CG2 3.81Å; L1213-I1218 HydrophobicContact CB-CG1 4.21Å; P1214-I1218 PolarHBondContact O-N 2.89Å; N1215-I1218 CarbonylContact O-C 3.53Å; N1215-I1218 WeakPolarHBondContact O-CA 3.39Å; N1215-I1218 WeakPolarHBondContact O-CB 3.15Å; N1215-I1218 PolarHBondContact O-N 3.32Å; I1218-L1221 PolarHBondContact O-N 2.95Å; I1218-T1222 WeakPolarHBondContact O-CB 3.49Å; I1218-T1222 PolarHBondContact O-N 2.92Å; I1218-T1222 PolarHBondContact O-OG1 2.9Å
1219E92.7Very high91.6Very high118 Ų11853.6 Ų53.655%0.55127%0.268SS*.Hα-helixtrans-59.4-49.1172.6-71.5151.9-143.800111.6N1215 S1216 C1217 L1221 T1222 A1223N1215-E1219 VanDerWaalsContact C-OE1 3.22Å; N1215-E1219 WeakPolarHBondContact CB-OE1 3.39Å; N1215-E1219 VanDerWaalsContact O-CG 3.31Å; N1215-E1219 WeakPolarHBondContact O-CG 3.35Å; N1215-E1219 PolarHBondContact O-N 3.19Å; S1216-E1219 WeakPolarHBondContact CA-OE2 3.06Å; C1217-E1219 VanDerWaalsContact C-N 3.31Å; C1217-E1219 PolarHBondContact O-N 2.71Å; E1219-L1221 PolarHBondContact O-N 2.86Å; E1219-T1222 WeakPolarHBondContact O-CB 3.41Å; E1219-T1222 PolarHBondContact O-N 3.37Å; E1219-A1223 PolarHBondContact O-N 3.43Å
1220K93.6Very high91.8Very high93 Ų9354.4 Ų54.440%0.40427%0.272SS..Hα-helixtrans-63.1-40.1176.3-74.6170.1178.3172.30112.5I1159 Y1163 S1216 C1217 T1222 A1223 L1224I1159-K1220 HydrophobicContact CD1-CB 4.06Å; I1159-K1220 HydrophobicContact CG1-CB 4.49Å; I1159-K1220 HydrophobicContact CG2-CB 4.09Å; Y1163-K1220 HydrophobicContact CE2-CD 3.88Å; Y1163-K1220 PolarHBondContact OH-NZ 3.48Å; S1216-K1220 WeakPolarHBondContact O-CD 3.47Å; S1216-K1220 WeakPolarHBondContact O-CG 3.5Å; C1217-K1220 PolarHBondContact O-N 3.2Å; K1220-T1222 VanDerWaalsContact C-N 3.33Å; K1220-A1223 WeakPolarHBondContact O-CB 3.3Å; K1220-A1223 PolarHBondContact O-N 3.07Å; K1220-L1224 PolarHBondContact O-N 3.18Å
1221L94.9Very high91.8Very high0 Ų056 Ų560%028%0.28CS..Hα-helixtrans-64.6-37.5174-69.1171.8000111.8L1144 M1156 I1159 L1160 L1210 L1213 C1217 I1218 E1219 L1224 I1225L1144-L1221 HydrophobicContact CD1-CB 4.16Å; L1144-L1221 HydrophobicContact CD1-CD1 4.12Å; L1144-L1221 HydrophobicContact CD1-CD2 4.21Å; L1144-L1221 HydrophobicContact CD1-CG 4.4Å; L1144-L1221 HydrophobicContact CD2-CB 4.09Å; L1144-L1221 HydrophobicContact CD2-CD2 4.19Å; M1156-L1221 HydrophobicContact CG-CD2 3.55Å; M1156-L1221 HydrophobicContact SD-CD2 4.43Å; I1159-L1221 HydrophobicContact CG2-CD2 4.14Å; I1159-L1221 HydrophobicContact CG2-CG 4.29Å; L1160-L1221 HydrophobicContact CD2-CD1 4.13Å; L1160-L1221 HydrophobicContact CD2-CD2 4.34Å; L1160-L1221 HydrophobicContact CG-CD2 4.3Å; L1210-L1221 HydrophobicContact CD2-CD1 4.03Å; L1213-L1221 HydrophobicContact CD1-CD1 3.94Å; C1217-L1221 VanDerWaalsContact O-CG 3.3Å; C1217-L1221 WeakPolarHBondContact O-CG 3.39Å; C1217-L1221 PolarHBondContact O-N 3.47Å; I1218-L1221 PolarHBondContact O-N 2.95Å; E1219-L1221 PolarHBondContact O-N 2.86Å; L1221-L1224 HydrophobicContact CD2-CD1 4.41Å; L1221-L1224 PolarHBondContact O-N 3.13Å; L1221-I1225 PolarHBondContact O-N 3.06Å
1222T93.9Very high91.8Very high70 Ų7052.5 Ų52.543%0.42927%0.269SS..Hα-helixtrans-68.3-36.7175.2-54.10000111.5L1140 I1218 E1219 K1220 L1224 I1225 K1226L1140-T1222 WeakPolarHBondContact CD1-OG1 3.46Å; I1218-T1222 WeakPolarHBondContact O-CB 3.49Å; I1218-T1222 PolarHBondContact O-N 2.92Å; I1218-T1222 PolarHBondContact O-OG1 2.9Å; E1219-T1222 WeakPolarHBondContact O-CB 3.41Å; E1219-T1222 PolarHBondContact O-N 3.37Å; K1220-T1222 VanDerWaalsContact C-N 3.33Å; T1222-L1224 PolarHBondContact O-N 3.38Å; T1222-I1225 PolarHBondContact O-N 3.15Å; T1222-K1226 PolarHBondContact O-N 3.23Å; T1222-K1226 VanDerWaalsContact O-N 3.12Å
1223A93.6Very high91.6Very high55 Ų5550.7 Ų50.746%0.45526%0.257SS..Hα-helixtrans-62.5-39.2174.900000112.7E1219 K1220 I1225 K1226 E1227E1219-A1223 PolarHBondContact O-N 3.43Å; K1220-A1223 WeakPolarHBondContact O-CB 3.3Å; K1220-A1223 PolarHBondContact O-N 3.07Å; A1223-I1225 VanDerWaalsContact C-N 3.32Å; A1223-I1225 PolarHBondContact O-N 3.49Å; A1223-K1226 WeakPolarHBondContact O-CB 3.42Å; A1223-K1226 PolarHBondContact O-N 3.46Å; A1223-E1227 PolarHBondContact O-N 3.42Å
1224L93.8Very high91.5Very high2 Ų256.8 Ų56.81%0.0128%0.284CS..Hα-helixtrans-59.9-40.6173.7-64.9174.2000112.3L1152 R1155 M1156 I1159 K1220 L1221 T1222 K1226 E1227 D1228L1152-L1224 HydrophobicContact CD2-CD2 3.81Å; R1155-L1224 HydrophobicContact CB-CD2 3.96Å; M1156-L1224 HydrophobicContact CB-CD1 3.65Å; M1156-L1224 HydrophobicContact CG-CD1 3.97Å; I1159-L1224 HydrophobicContact CD1-CD1 3.93Å; I1159-L1224 HydrophobicContact CD1-CD2 4.36Å; I1159-L1224 HydrophobicContact CD1-CG 4.23Å; K1220-L1224 PolarHBondContact O-N 3.18Å; L1221-L1224 HydrophobicContact CD2-CD1 4.41Å; L1221-L1224 PolarHBondContact O-N 3.13Å; T1222-L1224 PolarHBondContact O-N 3.38Å; L1224-K1226 VanDerWaalsContact C-N 3.33Å; L1224-K1226 PolarHBondContact O-N 2.96Å; L1224-E1227 PolarHBondContact O-N 2.79Å; L1224-D1228 PolarHBondContact O-N 2.93Å
1225I93.2Very high90.9Very high18 Ų1860.1 Ų60.19%0.09229%0.294CS..Hα-helixtrans-66.5-36.5177.4-67.8161.6000111.1L1140 R1143 L1144 L1147 L1221 T1222 A1223 E1227 E1229L1140-I1225 HydrophobicContact CD1-CD1 3.53Å; L1140-I1225 HydrophobicContact CG-CD1 4.33Å; R1143-I1225 HydrophobicContact CB-CD1 3.71Å; R1143-I1225 HydrophobicContact CB-CG1 4.22Å; R1143-I1225 HydrophobicContact CB-CG2 4.37Å; L1144-I1225 HydrophobicContact CD2-CD1 3.73Å; L1144-I1225 HydrophobicContact CD2-CG1 3.92Å; L1144-I1225 HydrophobicContact CG-CD1 3.96Å; L1147-I1225 HydrophobicContact CD2-CG1 4.28Å; L1221-I1225 PolarHBondContact O-N 3.06Å; T1222-I1225 PolarHBondContact O-N 3.15Å; A1223-I1225 VanDerWaalsContact C-N 3.32Å; A1223-I1225 PolarHBondContact O-N 3.49Å; I1225-E1227 VanDerWaalsContact C-N 3.31Å; I1225-E1229 WeakPolarHBondContact O-CG 3.39Å; I1225-E1229 PolarHBondContact O-N 3.29Å
1226K92.6Very high90.2Very high138 Ų13859.9 Ų59.960%0.629%0.293SS*.Hα-helixtrans-63.3-40.7173.2-174.4-179.3175.7-177.10111.2T1222 A1223 L1224 E1229 D1230T1222-K1226 PolarHBondContact O-N 3.23Å; T1222-K1226 VanDerWaalsContact O-N 3.12Å; A1223-K1226 WeakPolarHBondContact O-CB 3.42Å; A1223-K1226 PolarHBondContact O-N 3.46Å; L1224-K1226 VanDerWaalsContact C-N 3.33Å; L1224-K1226 PolarHBondContact O-N 2.96Å; K1226-E1229 PolarHBondContact O-N 2.96Å; K1226-D1230 PolarHBondContact O-N 3Å
1227E93.8Very high89.3Confident63 Ų6363.2 Ų63.229%0.29431%0.306SS..Hα-helixtrans-67-41.4179.3-161.3172.6163.200112.6L1152 R1155 A1223 L1224 I1225 E1229 D1230 I1231L1152-E1227 HydrophobicContact CD1-CB 4.25Å; L1152-E1227 HydrophobicContact CD2-CB 4.11Å; L1152-E1227 HydrophobicContact CD2-CG 4.02Å; R1155-E1227 IonicContact CZ-OE1 2.61Å; R1155-E1227 IonicContact CZ-OE2 2.67Å; R1155-E1227 VanDerWaalsContact NH1-CD 3.25Å; R1155-E1227 IonicContact NH1-OE1 2.77Å; R1155-E1227 PolarHBondContact NH1-OE1 3.45Å; R1155-E1227 IonicContact NH1-OE2 3.51Å; R1155-E1227 PolarHBondContact NH1-OE2 3.49Å; R1155-E1227 VanDerWaalsContact NH1-OE2 3.11Å; R1155-E1227 IonicContact NH2-OE1 3.79Å; R1155-E1227 IonicContact NH2-OE2 3.44Å; R1155-E1227 PolarHBondContact NH2-OE2 2.88Å; A1223-E1227 PolarHBondContact O-N 3.42Å; L1224-E1227 PolarHBondContact O-N 2.79Å; I1225-E1227 VanDerWaalsContact C-N 3.31Å; E1227-E1229 VanDerWaalsContact C-N 3.29Å; E1227-E1229 PolarHBondContact O-N 3.3Å; E1227-D1230 PolarHBondContact O-N 2.78Å; E1227-I1231 HydrophobicContact CG-CD1 4.33Å; E1227-I1231 VanDerWaalsContact O-CG1 3.31Å; E1227-I1231 WeakPolarHBondContact O-CG1 3.09Å; E1227-I1231 PolarHBondContact O-N 2.94Å
1228D93.2Very high88Confident3 Ų366.3 Ų66.32%0.01633%0.326CS..Hα-helixtrans-58.6-41.4173.8-164.283000111.4L1147 R1148 E1149 L1152 L1224 I1231 F1232L1147-D1228 HydrophobicContact CD2-CB 3.77Å; R1148-D1228 PolarHBondContact N-OD1 2.85Å; R1148-D1228 PolarHBondContact N-OD2 3.36Å; E1149-D1228 PolarHBondContact N-OD1 3.18Å; L1152-D1228 VanDerWaalsContact CD1-CA 3.47Å; L1152-D1228 HydrophobicContact CD1-CB 3.58Å; L1152-D1228 VanDerWaalsContact CD1-N 3.33Å; L1224-D1228 PolarHBondContact O-N 2.93Å; D1228-I1231 PolarHBondContact O-N 2.97Å; D1228-F1232 WeakPolarHBondContact O-CB 3.42Å; D1228-F1232 PolarHBondContact O-N 3.49Å
1229E90.6Very high86.4Confident37 Ų3768.7 Ų68.717%0.17334%0.341CS..Hα-helixtrans-71.4-36.1175.9-71.1-60.1145.600113.7R1143 I1225 K1226 E1227 I1231 F1232 R1233R1143-E1229 IonicContact CZ-OE1 3.45Å; R1143-E1229 IonicContact NH1-OE1 3.49Å; R1143-E1229 PolarHBondContact NH1-OE1 2.78Å; R1143-E1229 IonicContact NH2-OE1 2.85Å; R1143-E1229 PolarHBondContact NH2-OE1 2.73Å; I1225-E1229 WeakPolarHBondContact O-CG 3.39Å; I1225-E1229 PolarHBondContact O-N 3.29Å; K1226-E1229 PolarHBondContact O-N 2.96Å; E1227-E1229 VanDerWaalsContact C-N 3.29Å; E1227-E1229 PolarHBondContact O-N 3.3Å; E1229-I1231 VanDerWaalsContact C-N 3.34Å; E1229-F1232 PolarHBondContact O-N 3.44Å; E1229-R1233 WeakPolarHBondContact O-CB 3.45Å; E1229-R1233 WeakPolarHBondContact O-CG 3.47Å; E1229-R1233 PolarHBondContact O-N 2.97Å
1230D90.3Very high84.6Confident54 Ų5467.8 Ų67.829%0.28934%0.339SS..Hα-helixtrans-69.7-32.5175-76.8-29.1000111.8K1226 E1227 R1233 K1234K1226-D1230 PolarHBondContact O-N 3Å; E1227-D1230 PolarHBondContact O-N 2.78Å; D1230-R1233 IonicContact OD1-CZ 3.95Å; D1230-R1233 VanDerWaalsContact OD1-CZ 3.3Å; D1230-R1233 IonicContact OD1-NE 3.88Å; D1230-R1233 PolarHBondContact OD1-NE 3.08Å; D1230-R1233 IonicContact OD1-NH2 2.67Å; D1230-R1233 PolarHBondContact OD1-NH2 3.4Å; D1230-K1234 WeakPolarHBondContact O-CD 3.3Å; D1230-K1234 WeakPolarHBondContact O-CG 3.38Å; D1230-K1234 PolarHBondContact O-N 3.37Å; D1230-K1234 VanDerWaalsContact O-N 3.15Å
1231I89.5Confident82.6Confident43 Ų4365.9 Ų65.922%0.22134%0.338CS..Hα-helixtrans-69.6-46171.1-67167.4000110.5E1149 L1152 E1227 D1228 E1229 R1233 K1234 H1235E1149-I1231 HydrophobicContact CG-CD1 4.06Å; E1149-I1231 HydrophobicContact CG-CG2 3.97Å; L1152-I1231 HydrophobicContact CD1-CD1 4.29Å; E1227-I1231 HydrophobicContact CG-CD1 4.33Å; E1227-I1231 VanDerWaalsContact O-CG1 3.31Å; E1227-I1231 WeakPolarHBondContact O-CG1 3.09Å; E1227-I1231 PolarHBondContact O-N 2.94Å; D1228-I1231 PolarHBondContact O-N 2.97Å; E1229-I1231 VanDerWaalsContact C-N 3.34Å; I1231-R1233 PolarHBondContact O-N 3.28Å; I1231-K1234 PolarHBondContact O-N 3.09Å; I1231-H1235 PolarHBondContact O-N 3.14Å
1232F86.2Confident80.7Confident67 Ų6772.4 Ų72.429%0.29437%0.366SS..Hα-helixtrans-60.1-43.3176.4179.1-123.2000112.4R1148 D1228 E1229 H1235 N1236R1148-F1232 VanDerWaalsContact NH1-CD1 3.25Å; R1148-F1232 VanDerWaalsContact NH2-CE2 3.34Å; R1148-F1232 VanDerWaalsContact NH2-CZ 3.28Å; D1228-F1232 WeakPolarHBondContact O-CB 3.42Å; D1228-F1232 PolarHBondContact O-N 3.49Å; E1229-F1232 PolarHBondContact O-N 3.44Å; F1232-H1235 PolarHBondContact O-N 3.29Å; F1232-N1236 WeakPolarHBondContact CE1-ND2 3.5Å; F1232-N1236 WeakPolarHBondContact CE2-ND2 3.32Å; F1232-N1236 WeakPolarHBondContact CZ-ND2 3.16Å; F1232-N1236 PolarHBondContact O-N 2.94Å; F1232-N1236 PolarHBondContact O-ND2 2.94Å
1233R85Confident78.6Confident114 Ų11470.9 Ų70.943%0.4336%0.358SS..Hα-helixtrans-56-51.8172.2-81.8-175.7-81.8-82.13.4111.5E1229 D1230 I1231 H1235 N1236 L1237E1229-R1233 WeakPolarHBondContact O-CB 3.45Å; E1229-R1233 WeakPolarHBondContact O-CG 3.47Å; E1229-R1233 PolarHBondContact O-N 2.97Å; D1230-R1233 IonicContact OD1-CZ 3.95Å; D1230-R1233 VanDerWaalsContact OD1-CZ 3.3Å; D1230-R1233 IonicContact OD1-NE 3.88Å; D1230-R1233 PolarHBondContact OD1-NE 3.08Å; D1230-R1233 IonicContact OD1-NH2 2.67Å; D1230-R1233 PolarHBondContact OD1-NH2 3.4Å; I1231-R1233 PolarHBondContact O-N 3.28Å; R1233-H1235 VanDerWaalsContact C-N 3.34Å; R1233-H1235 PolarHBondContact O-N 2.8Å; R1233-N1236 PolarHBondContact O-N 3.2Å; R1233-L1237 VanDerWaalsContact O-CD1 3.31Å; R1233-L1237 WeakPolarHBondContact O-CD1 3.41Å; R1233-L1237 PolarHBondContact O-N 3.27Å
1234K85.3Confident76.5Confident142 Ų14272.4 Ų72.462%0.61736%0.359SS*.Hα-helixtrans-59.2-42.1178.9-73.4165.8-174.3173.30112.3D1230 I1231 L1237 T1238D1230-K1234 WeakPolarHBondContact O-CD 3.3Å; D1230-K1234 WeakPolarHBondContact O-CG 3.38Å; D1230-K1234 PolarHBondContact O-N 3.37Å; D1230-K1234 VanDerWaalsContact O-N 3.15Å; I1231-K1234 PolarHBondContact O-N 3.09Å; K1234-L1237 PolarHBondContact O-N 3.1Å; K1234-T1238 WeakPolarHBondContact O-CB 3.39Å; K1234-T1238 PolarHBondContact O-N 3.01Å; K1234-T1238 PolarHBondContact O-OG1 3.04Å
1235H80.3Confident74.6Confident118 Ų11876.7 Ų76.755%0.54638%0.382SS..Hα-helixtrans-62.9-45.6177.9-171.4-86000111.7I1231 F1232 R1233 T1238 T1239I1231-H1235 PolarHBondContact O-N 3.14Å; F1232-H1235 PolarHBondContact O-N 3.29Å; R1233-H1235 VanDerWaalsContact C-N 3.34Å; R1233-H1235 PolarHBondContact O-N 2.8Å; H1235-T1238 WeakPolarHBondContact O-CB 3.24Å; H1235-T1238 PolarHBondContact O-N 3.1Å; H1235-T1238 VanDerWaalsContact O-N 3.13Å; H1235-T1239 PolarHBondContact O-N 3.43Å; H1235-T1239 PolarHBondContact O-OG1 2.68Å
1236N74.1Confident72.7Confident54 Ų5480.1 Ų80.129%0.28940%0.403SS..Hα-helixtrans-66.8-37.8179.3-66.6-20.2000113.1F1232 R1233 T1238 T1239 L1240F1232-N1236 WeakPolarHBondContact CE1-ND2 3.5Å; F1232-N1236 WeakPolarHBondContact CE2-ND2 3.32Å; F1232-N1236 WeakPolarHBondContact CZ-ND2 3.16Å; F1232-N1236 PolarHBondContact O-N 2.94Å; F1232-N1236 PolarHBondContact O-ND2 2.94Å; R1233-N1236 PolarHBondContact O-N 3.2Å; N1236-T1238 VanDerWaalsContact C-N 3.27Å; N1236-T1238 PolarHBondContact O-N 3.15Å; N1236-T1239 PolarHBondContact O-N 2.88Å; N1236-T1239 PolarHBondContact O-OG1 3.19Å; N1236-L1240 WeakPolarHBondContact O-CB 3.38Å; N1236-L1240 PolarHBondContact O-N 3.21Å
1237L72.1Confident70.7Confident121 Ų12178.6 Ų78.663%0.63440%0.397SS*.Hα-helixtrans-62.7-37.6171.6-92.570.3000111.2R1233 K1234 L1240 S1241R1233-L1237 VanDerWaalsContact O-CD1 3.31Å; R1233-L1237 WeakPolarHBondContact O-CD1 3.41Å; R1233-L1237 PolarHBondContact O-N 3.27Å; K1234-L1237 PolarHBondContact O-N 3.1Å; L1237-L1240 PolarHBondContact O-N 2.67Å; L1237-S1241 PolarHBondContact O-N 3.35Å; L1237-S1241 PolarHBondContact O-OG 2.66Å
1238T66.4Low68.4Low66 Ų6678 Ų7841%0.40540%0.4SS..Hα-helixtrans-72.7-30.2179.5-53.60000113.2K1234 H1235 N1236 S1241 K1242K1234-T1238 WeakPolarHBondContact O-CB 3.39Å; K1234-T1238 PolarHBondContact O-N 3.01Å; K1234-T1238 PolarHBondContact O-OG1 3.04Å; H1235-T1238 WeakPolarHBondContact O-CB 3.24Å; H1235-T1238 PolarHBondContact O-N 3.1Å; H1235-T1238 VanDerWaalsContact O-N 3.13Å; N1236-T1238 VanDerWaalsContact C-N 3.27Å; N1236-T1238 PolarHBondContact O-N 3.15Å; T1238-S1241 PolarHBondContact O-OG 3.34Å; T1238-K1242 WeakPolarHBondContact O-CB 3.45Å; T1238-K1242 WeakPolarHBondContact O-CG 3.48Å; T1238-K1242 PolarHBondContact O-N 3.34Å
1239T59.7Low66.3Low66 Ų6681.9 Ų81.941%0.40543%0.427SS..Hα-helixtrans-77.7-36.4171.855.30000111.7H1235 N1236 S1243H1235-T1239 PolarHBondContact O-N 3.43Å; H1235-T1239 PolarHBondContact O-OG1 2.68Å; N1236-T1239 PolarHBondContact O-N 2.88Å; N1236-T1239 PolarHBondContact O-OG1 3.19Å; T1239-S1243 VanDerWaalsContact O-CB 3.28Å; T1239-S1243 WeakPolarHBondContact O-CB 3.31Å; T1239-S1243 PolarHBondContact O-N 3.01Å
1240L54Low64.3Low99 Ų9985.5 Ų85.552%0.51845%0.446SS..Hα-helixtrans-62.8-48.8174.8-85.2161.9000112N1236 L1237 S1243 N1244N1236-L1240 WeakPolarHBondContact O-CB 3.38Å; N1236-L1240 PolarHBondContact O-N 3.21Å; L1237-L1240 PolarHBondContact O-N 2.67Å; L1240-S1243 PolarHBondContact O-N 2.61Å; L1240-S1243 PolarHBondContact O-OG 3.21Å; L1240-N1244 VanDerWaalsContact O-CG 3.32Å; L1240-N1244 PolarHBondContact O-N 3.21Å
1241S51.2Low62Low54 Ų5487.2 Ų87.238%0.37846%0.462SS..Hα-helixtrans-58.3-54.2176.7580000111.6L1237 T1238 S1243 N1244 D1245L1237-S1241 PolarHBondContact O-N 3.35Å; L1237-S1241 PolarHBondContact O-OG 2.66Å; T1238-S1241 PolarHBondContact O-OG 3.34Å; S1241-S1243 PolarHBondContact O-N 3Å; S1241-N1244 CarbonylContact O-C 3.06Å; S1241-N1244 WeakPolarHBondContact O-CA 3.46Å; S1241-N1244 WeakPolarHBondContact O-CB 3.26Å; S1241-N1244 PolarHBondContact O-N 3.24Å; S1241-D1245 VanDerWaalsContact O-CG 3.28Å; S1241-D1245 PolarHBondContact O-N 3.11Å
1242K55.8Low60Low137 Ų13791.3 Ų91.360%0.59648%0.484SS*.Hα-helixtrans-56.9-35.3176.1-71.4-179.9178.2-174.40113.2T1238 N1244 V1246T1238-K1242 WeakPolarHBondContact O-CB 3.45Å; T1238-K1242 WeakPolarHBondContact O-CG 3.48Å; T1238-K1242 PolarHBondContact O-N 3.34Å; K1242-N1244 VanDerWaalsContact C-N 3.31Å; K1242-V1246 WeakPolarHBondContact O-CG2 3.39Å; K1242-V1246 PolarHBondContact O-N 2.82Å; K1242-V1246 VanDerWaalsContact O-N 3.07Å
1243S50.7Low58.2Low38 Ų3892.2 Ų92.227%0.26650%0.503SS..Hα-helixtrans-71.3-26.3175.688.30000113.2T1239 L1240 S1241 K1247T1239-S1243 VanDerWaalsContact O-CB 3.28Å; T1239-S1243 WeakPolarHBondContact O-CB 3.31Å; T1239-S1243 PolarHBondContact O-N 3.01Å; L1240-S1243 PolarHBondContact O-N 2.61Å; L1240-S1243 PolarHBondContact O-OG 3.21Å; S1241-S1243 PolarHBondContact O-N 3Å; S1243-K1247 WeakPolarHBondContact O-CB 3.36Å; S1243-K1247 WeakPolarHBondContact O-CD 3.29Å; S1243-K1247 WeakPolarHBondContact O-CE 3.41Å; S1243-K1247 WeakPolarHBondContact O-CG 3.48Å; S1243-K1247 PolarHBondContact O-N 3Å; S1243-K1247 PolarHBondContact OG-NZ 2.9Å
1244N49.7Very low56.2Low86 Ų8697.5 Ų97.546%0.4652%0.523SS..Hα-helixtrans-84-36.2176.6-70.4-11.3000111L1240 S1241 K1242 K1247 S1248L1240-N1244 VanDerWaalsContact O-CG 3.32Å; L1240-N1244 PolarHBondContact O-N 3.21Å; S1241-N1244 CarbonylContact O-C 3.06Å; S1241-N1244 WeakPolarHBondContact O-CA 3.46Å; S1241-N1244 WeakPolarHBondContact O-CB 3.26Å; S1241-N1244 PolarHBondContact O-N 3.24Å; K1242-N1244 VanDerWaalsContact C-N 3.31Å; N1244-K1247 CarbonylContact O-C 3.46Å; N1244-K1247 PolarHBondContact O-N 3.32Å; N1244-S1248 WeakPolarHBondContact O-CB 3.12Å; N1244-S1248 PolarHBondContact O-N 3.06Å; N1244-S1248 PolarHBondContact O-OG 2.56Å
1245D53.6Low53.8Low93 Ų93102 Ų10250%0.49754%0.537SS..Hα-helixtrans-62.8-42.8172.3-60.5-34000111.4S1241 K1247 S1248 S1249S1241-D1245 VanDerWaalsContact O-CG 3.28Å; S1241-D1245 PolarHBondContact O-N 3.11Å; D1245-K1247 PolarHBondContact O-N 3.39Å; D1245-S1248 WeakPolarHBondContact CA-OG 3.49Å; D1245-S1248 PolarHBondContact O-N 2.77Å; D1245-S1248 PolarHBondContact O-OG 3.03Å; D1245-S1249 WeakPolarHBondContact O-CB 3.14Å; D1245-S1249 PolarHBondContact O-N 3.22Å; D1245-S1249 VanDerWaalsContact O-N 3.07Å; D1245-S1249 PolarHBondContact O-OG 3.37Å
1246V53.3Low51.8Low89 Ų89101.4 Ų101.454%0.53955%0.546SS..Hα-helixtrans-67.3-35.51741720000111.6K1242 I1250K1242-V1246 WeakPolarHBondContact O-CG2 3.39Å; K1242-V1246 PolarHBondContact O-N 2.82Å; K1242-V1246 VanDerWaalsContact O-N 3.07Å; V1246-I1250 HydrophobicContact CG1-CD1 3.83Å; V1246-I1250 WeakPolarHBondContact O-CB 3.05Å; V1246-I1250 WeakPolarHBondContact O-CD1 3.38Å; V1246-I1250 VanDerWaalsContact O-CG1 3.23Å; V1246-I1250 WeakPolarHBondContact O-CG1 3.2Å; V1246-I1250 PolarHBondContact O-N 2.8Å; V1246-I1250 VanDerWaalsContact O-N 3.14Å
1247K48.9Very low50.1Low106 Ų106105 Ų10546%0.46157%0.569SS.*Hα-helixtrans-71.4-39.2175.6-75.3165.2-164.2150.20112.5S1243 N1244 D1245 I1250 C1251S1243-K1247 WeakPolarHBondContact O-CB 3.36Å; S1243-K1247 WeakPolarHBondContact O-CD 3.29Å; S1243-K1247 WeakPolarHBondContact O-CE 3.41Å; S1243-K1247 WeakPolarHBondContact O-CG 3.48Å; S1243-K1247 PolarHBondContact O-N 3Å; S1243-K1247 PolarHBondContact OG-NZ 2.9Å; N1244-K1247 CarbonylContact O-C 3.46Å; N1244-K1247 PolarHBondContact O-N 3.32Å; D1245-K1247 PolarHBondContact O-N 3.39Å; K1247-I1250 PolarHBondContact O-N 2.99Å; K1247-C1251 WeakPolarHBondContact O-CB 3.27Å; K1247-C1251 PolarHBondContact O-N 3.48Å; K1247-C1251 PolarHBondContact O-SG 3.14Å
1248S46.6Very low48.2Very low52 Ų52106.2 Ų106.236%0.36458%0.576SS.*Hα-helixtrans-67.3-44178.8620000110.9N1244 D1245 I1250 C1251 N1252N1244-S1248 WeakPolarHBondContact O-CB 3.12Å; N1244-S1248 PolarHBondContact O-N 3.06Å; N1244-S1248 PolarHBondContact O-OG 2.56Å; D1245-S1248 WeakPolarHBondContact CA-OG 3.49Å; D1245-S1248 PolarHBondContact O-N 2.77Å; D1245-S1248 PolarHBondContact O-OG 3.03Å; S1248-I1250 PolarHBondContact O-N 3.4Å; S1248-C1251 PolarHBondContact O-N 3.09Å; S1248-N1252 WeakPolarHBondContact O-CB 3.27Å; S1248-N1252 VanDerWaalsContact O-CG 3.26Å; S1248-N1252 PolarHBondContact O-N 3.11Å
1249S49.3Very low46.8Very low83 Ų83107.5 Ų107.558%0.5858%0.583SS**Hα-helixtrans-61.1-39.8173.4-67.40000113D1245 A1253D1245-S1249 WeakPolarHBondContact O-CB 3.14Å; D1245-S1249 PolarHBondContact O-N 3.22Å; D1245-S1249 VanDerWaalsContact O-N 3.07Å; D1245-S1249 PolarHBondContact O-OG 3.37Å; S1249-A1253 PolarHBondContact O-N 2.67Å
1250I48.7Very low45.7Very low113 Ų113112.8 Ų112.858%0.57960%0.604SS**Hα-helixtrans-70.4-32.5175.8-70.4170.9000112.4V1246 K1247 S1248V1246-I1250 HydrophobicContact CG1-CD1 3.83Å; V1246-I1250 WeakPolarHBondContact O-CB 3.05Å; V1246-I1250 WeakPolarHBondContact O-CD1 3.38Å; V1246-I1250 VanDerWaalsContact O-CG1 3.23Å; V1246-I1250 WeakPolarHBondContact O-CG1 3.2Å; V1246-I1250 PolarHBondContact O-N 2.8Å; V1246-I1250 VanDerWaalsContact O-N 3.14Å; K1247-I1250 PolarHBondContact O-N 2.99Å; S1248-I1250 PolarHBondContact O-N 3.4Å
1251C42.3Very low44.8Very low91 Ų91115.6 Ų115.662%0.61562%0.619SS**Hα-helixtrans-75.8-37176.2-72.30000112.9K1247 S1248 A1253K1247-C1251 WeakPolarHBondContact O-CB 3.27Å; K1247-C1251 PolarHBondContact O-N 3.48Å; K1247-C1251 PolarHBondContact O-SG 3.14Å; S1248-C1251 PolarHBondContact O-N 3.09Å; C1251-A1253 VanDerWaalsContact C-N 3.35Å
1252N46.7Very low44.2Very low129 Ų129117.6 Ų117.669%0.6964%0.639SS**Hα-helixtrans-72.5-27.1-179-71.5-9.4000112.6S1248 R1254S1248-N1252 WeakPolarHBondContact O-CB 3.27Å; S1248-N1252 VanDerWaalsContact O-CG 3.26Å; S1248-N1252 PolarHBondContact O-N 3.11Å; N1252-R1254 PolarHBondContact O-N 3.1Å
1253A47.6Very low43.2Very low85 Ų85114.7 Ų114.770%0.70265%0.648SS**THydrogen-bonded Turntrans-72.811178.500000115.4S1249 C1251S1249-A1253 PolarHBondContact O-N 2.67Å; C1251-A1253 VanDerWaalsContact C-N 3.35Å
1254R44.8Very low42.5Very low225 Ų225124 Ų12485%0.84968%0.677SS**THydrogen-bonded Turntrans-134.217.4-172.6-78.4-167171.1-156.7-1.7116.3N1252N1252-R1254 PolarHBondContact O-N 3.1Å
1255R34.1Very low41.9Very low237 Ų237125.7 Ų125.789%0.89469%0.686SS**  trans-132.2109.8173.1-179172.2-80.9-113.70.7112.1
1256S38.7Very low41.2Very low106 Ų106126.8 Ų126.874%0.74169%0.692SS**  trans-125.4137.116944.10000110.3
1257V37Very low40.3Very low129 Ų129128.2 Ų128.278%0.78270%0.697SS**  trans74.9113150.71760000118.3
1258L33.9Very low39.7Very low146 Ų146132 Ų13276%0.76471%0.714SS**  trans93.694.2154.9-65.4168000122.4
1259T36.4Very low39.2Very low93 Ų93138 Ų13857%0.57174%0.735SS**  52.7123.2117.357.10000123.4
1260E36.7Very low38.5Very low177 Ų177140.9 Ų140.983%0.82774%0.744SS**  62.4146.3126.6-64.7155.6-156.400120
1261D35.8Very low38Very low158 Ų158140.4 Ų140.485%0.84575%0.748SS**  cis-144179.66.5-156.1-6.7000112.2
1262A37.7Very low37.6Very low96 Ų96143.1 Ų143.179%0.79376%0.757SS**  trans-90.1162.9-16700000116.8
1263G35.4Very low37.2Very low76 Ų76148.8 Ų148.878%0.78477%0.768SS**  trans-167.246-171.700000121.6
1264R35.3Very low36.5Very low235 Ų235155.5 Ų155.589%0.88778%0.776SS**  trans60.8117.2149.2-77.3-175174.31571.3123.7
1265N37.9Very low36.1Very low121 Ų121156 Ų15665%0.64778%0.779SS**  73.9121117.3-7358.2000124.6
1266D37.3Very low36.1Very low116 Ų116153 Ų15362%0.6278%0.775SS**  98.2113.3117.7-67.1-1.9000123.9
1267N35.6Very low35.8Very low119 Ų119153.3 Ų153.364%0.63678%0.776SS**  trans61.7122131-54.7-38.1000120.9
1268F35.3Very low35.7Very low186 Ų186151.7 Ų151.782%0.81677%0.771SS**  177.113889.6-99.2-72.7000115.1
1269H37.8Very low35.7Very low177 Ų177151.1 Ų151.182%0.81977%0.769SS**  trans31.3139.6143.5-98.149.9000125.8
1270N32.7Very low35.7Very low144 Ų144153.6 Ų153.677%0.7777%0.773SS**  trans-55.5174.7151.6-136.914.3000112.1
1271P40.3Very low35.6Very low102 Ų102154.3 Ų154.366%0.66277%0.768SS**  cis-143.4-179.88.345.2-25.8000117.6
1272D33.4Very low35.5Very low148 Ų148152.8 Ų152.879%0.79176%0.76SS**  trans26109.4140.7-144.1-10.8000120
1273R37.8Very low35.4Very low248 Ų248153.2 Ų153.294%0.93676%0.758SS**  trans-161.7149.3148.2-113.6166.4-159.1-151.53.9114.5
1274R32.3Very low35.4Very low227 Ų227155.8 Ų155.886%0.85776%0.764SS**  trans-71.7149.3-178.3-49.4170.5-171.8166.20.5112.5
1275Y37.5Very low35.4Very low235 Ų235147.5 Ų147.592%0.92275%0.751SS**  trans-144.9162.9141-104-75.5000110.2
1276E32.6Very low35.4Very low173 Ų173148.3 Ų148.381%0.80877%0.766SS**  trans-109.1175.9-162.9-61.7175.2106.300114
1277C32.5Very low35.5Very low113 Ų113146 Ų14676%0.76477%0.77SS**  trans72102154.8-72.10000120.6
1278S35.7Very low35.6Very low95 Ų95146.3 Ų146.366%0.66477%0.772SS**  74.7101.3115.2-74.80000122.2
1279D33.7Very low35.6Very low135 Ų135149.2 Ų149.272%0.72279%0.794SS**  78.5145.8116.6-63.7-62.3000121.1
1280H36.5Very low35.5Very low144 Ų144147.8 Ų147.867%0.66779%0.793SS**  trans77.6135.5167.5-68.37.6000118
1281R35.1Very low35.7Very low192 Ų192148 Ų14873%0.72579%0.794SS**  cis-162.9136.8-17.6-132.4172.1178.9154.3-1.5113.5
1282D32.8Very low35.4Very low127 Ų127150.6 Ų150.668%0.67980%0.802SS**  trans40.5114.8142.2-80.2-62.5000124.2
1283S35.6Very low35.5Very low105 Ų105150.7 Ų150.773%0.73480%0.802SS**  64.382.9109.2-530000121
1284S34.9Very low35.4Very low130 Ų130144.6 Ų144.691%0.90979%0.794SS**  trans-166.9159.8140.449.80000109.3
1285G36.6Very low35.6Very low60 Ų60139.1 Ų139.162%0.61979%0.79SS**  cis173.6-173.1-2.600000110.8
1286S38.1Very low35.5Very low138 Ų138132.3 Ų132.397%0.96578%0.78SS**  trans66146.9-17576.90000115.8
1287G39.5Very low35.7Very low69 Ų69129.2 Ų129.271%0.71178%0.778SS**  cis-153.2155.5-6.100000110.8
1288D37.2Very low35.9Very low125 Ų125130.5 Ų130.567%0.66878%0.779SS**  trans-78.2138.5-164.3-39.9-130.7000114.6I809I809-D1288 HydrophobicContact CD1-CB 3.49Å; I809-D1288 VanDerWaalsContact CD1-CB 3.49Å; I809-D1288 WeakPolarHBondContact CD1-OD2 3.37Å
1289L35.6Very low36Very low246 Ų246133.7 Ų133.7100%1.28879%0.79SS**  trans-160.60132-111.2168.4000111.7

Retrieved 1,289 of 1,289 residues in 304.5 ms (Link to these results)

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