A0A060W912_ONCMY Loading...

Dephospho-CoA kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A060W912, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene dcakd, Length 229 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
1M93.3Very high94.2Very high16 Ų1610 Ų108%0.0796%0.061CC..  0140.50-170.2177.269.800107.4L3 I99 F102 F103 Y107 R108 V110M1-L3 HydrophobicContact CE-CD2 4.36Å; M1-I99 HydrophobicContact CE-CB 4.49Å; M1-I99 HydrophobicContact CE-CG2 3.65Å; M1-I99 WeakPolarHBondContact CE-O 3.3Å; M1-F102 HydrophobicContact CE-CB 4.38Å; M1-F102 HydrophobicContact SD-CB 3.88Å; M1-F103 HydrophobicContact CB-CD2 3.74Å; M1-F103 HydrophobicContact CE-CB 4.02Å; M1-F103 HydrophobicContact SD-CB 4.48Å; M1-Y107 WeakPolarHBondContact CB-O 3.47Å; M1-Y107 WeakPolarHBondContact CG-O 3.34Å; M1-R108 CarbonylContact C-O 3.45Å; M1-R108 WeakPolarHBondContact CA-O 3.15Å; M1-R108 WeakPolarHBondContact CG-O 3.25Å; M1-V110 HydrophobicContact CE-CB 4.08Å; M1-V110 HydrophobicContact CE-CG1 3.49Å; M1-V110 VanDerWaalsContact CE-CG1 3.49Å; M1-V110 HydrophobicContact SD-CB 3.91Å; M1-V110 HydrophobicContact SD-CG1 3.95Å
2F95.1Very high94.1Very high4 Ų49.3 Ų9.32%0.0186%0.056CC..EExtended strand (participates in β ladder)trans-112.1163.8172.661.8-99.4000111.6V4 R108 Y109 V110 N128 H129 L196 E201 F202F2-V4 HydrophobicContact CD2-CG2 3.86Å; F2-V4 HydrophobicContact CE2-CG2 3.6Å; F2-R108 WeakPolarHBondContact CD1-O 3.28Å; F2-R108 PolarHBondContact N-O 3.36Å; F2-Y109 AromaticContact CE2-CG 3.94Å; F2-Y109 HydrophobicContact CE2-CG 3.94Å; F2-Y109 HydrophobicContact CZ-CD1 4.18Å; F2-Y109 HydrophobicContact CZ-CG 4.02Å; F2-Y109 VanDerWaalsContact O-CA 3.24Å; F2-Y109 WeakPolarHBondContact O-CA 3.42Å; F2-Y109 WeakPolarHBondContact O-CB 3.5Å; F2-V110 PolarHBondContact O-N 3.35Å; F2-V110 VanDerWaalsContact O-N 3.16Å; F2-N128 HydrophobicContact CB-CB 4.03Å; F2-N128 WeakPolarHBondContact CB-OD1 3.48Å; F2-N128 HydrophobicContact CD2-CB 4.08Å; F2-N128 HydrophobicContact CG-CB 4.39Å; F2-H129 AromaticContact CE2-CD2 3.65Å; F2-L196 HydrophobicContact CE2-CD2 4.17Å; F2-L196 HydrophobicContact CZ-CB 4.44Å; F2-L196 WeakPolarHBondContact CZ-O 3.36Å; F2-E201 HydrophobicContact CB-CB 4.49Å; F2-E201 HydrophobicContact CD1-CB 3.87Å; F2-E201 HydrophobicContact CE1-CB 4.38Å; F2-E201 HydrophobicContact CG-CB 4.31Å; F2-F202 HydrophobicContact CD1-CB 3.88Å; F2-F202 HydrophobicContact CE1-CB 4.39Å
3L96.7Very high94Very high30 Ų309.6 Ų9.616%0.1576%0.063CC..EExtended strand (participates in β ladder)trans-105.5131.5-174.5-54.6-176.5000111.1M1 I99 V110 L112 F126 L127 N128 H129M1-L3 HydrophobicContact CE-CD2 4.36Å; L3-I99 HydrophobicContact CD1-CD1 4.37Å; L3-I99 HydrophobicContact CD2-CD1 4.28Å; L3-I99 HydrophobicContact CD2-CG1 4.39Å; L3-I99 HydrophobicContact CD2-CG2 3.99Å; L3-V110 HydrophobicContact CD2-CG1 3.37Å; L3-L112 HydrophobicContact CD1-CD1 4.37Å; L3-F126 HydrophobicContact CD1-CB 4.45Å; L3-L127 HydrophobicContact CB-CD2 3.73Å; L3-N128 PolarHBondContact N-OD1 3.44Å; L3-N128 PolarHBondContact O-N 3.28Å; L3-H129 PolarHBondContact O-N 2.92Å
4V97.7Very high94.1Very high1 Ų111.2 Ų11.21%0.0067%0.068CC..EExtended strand (participates in β ladder)trans-116.1122.4177.2-177.50000109F2 Y109 V110 V111 L112 H129 V131 L196F2-V4 HydrophobicContact CD2-CG2 3.86Å; F2-V4 HydrophobicContact CE2-CG2 3.6Å; V4-Y109 HydrophobicContact CB-CD2 4.4Å; V4-Y109 HydrophobicContact CG2-CD2 3.71Å; V4-Y109 HydrophobicContact CG2-CE2 4.46Å; V4-Y109 HydrophobicContact CG2-CG 4.3Å; V4-V110 PolarHBondContact N-O 2.86Å; V4-V111 HydrophobicContact CB-CG2 4.25Å; V4-V111 HydrophobicContact CG1-CG2 4.48Å; V4-V111 CarbonylContact O-C 3.55Å; V4-V111 VanDerWaalsContact O-CA 3.27Å; V4-V111 WeakPolarHBondContact O-CA 3.47Å; V4-L112 PolarHBondContact O-N 2.82Å; V4-H129 CarbonylContact C-O 3.55Å; V4-H129 WeakPolarHBondContact CA-O 3.32Å; V4-H129 HydrophobicContact CG1-CB 4.23Å; V4-H129 HydrophobicContact CG2-CB 4.3Å; V4-V131 HydrophobicContact CG1-CG2 3.69Å; V4-L196 HydrophobicContact CG1-CD1 4.29Å; V4-L196 HydrophobicContact CG2-CD1 4.26Å; V4-L196 HydrophobicContact CG2-CD2 4.16Å
5G97.3Very high94Very high0 Ų015.8 Ų15.80%010%0.101CC..EExtended strand (participates in β ladder)trans-88.6123.5174.300000111.1L112 H129 T130 V131G5-L112 WeakPolarHBondContact CA-O 3.2Å; G5-H129 PolarHBondContact N-O 3.32Å; G5-T130 CarbonylContact O-C 3.58Å; G5-T130 WeakPolarHBondContact O-CA 3.29Å; G5-V131 PolarHBondContact O-N 2.98Å
6L97.8Very high94.1Very high1 Ų117.8 Ų17.81%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-100.7125170.1179.867.3000109.1K14 V17 L21 V111 L112 V114 V131 V133L6-K14 HydrophobicContact CD2-CG 4.16Å; L6-K14 HydrophobicContact CG-CG 4.04Å; L6-V17 HydrophobicContact CD1-CG1 4Å; L6-V17 HydrophobicContact CD2-CG1 4.41Å; L6-L21 HydrophobicContact CD2-CD1 4.45Å; L6-V111 HydrophobicContact CB-CG1 3.46Å; L6-V111 VanDerWaalsContact CB-CG1 3.46Å; L6-V111 HydrophobicContact CD2-CG1 4.22Å; L6-V111 HydrophobicContact CG-CG1 4.46Å; L6-L112 PolarHBondContact N-O 3.05Å; L6-V114 PolarHBondContact O-N 2.86Å; L6-V131 HydrophobicContact CD1-CB 3.98Å; L6-V131 HydrophobicContact CD1-CG1 3.8Å; L6-V133 HydrophobicContact CD1-CG2 3.67Å
7T96.3Very high94.3Very high0 Ų016.8 Ų16.80%011%0.107CC..EExtended strand (participates in β ladder)trans-140.4172.2178.8-159.40000111.3V114 P115 L117 F118 V131 V132 V133T7-V114 VanDerWaalsContact CB-O 3.26Å; T7-V114 WeakPolarHBondContact CB-O 3.07Å; T7-V114 PolarHBondContact OG1-O 3.28Å; T7-P115 PolarHBondContact OG1-O 3.41Å; T7-L117 HydrophobicContact CG2-CB 4.18Å; T7-L117 HydrophobicContact CG2-CD2 4.19Å; T7-F118 HydrophobicContact CG2-CD2 3.93Å; T7-F118 HydrophobicContact CG2-CE2 3.74Å; T7-V131 PolarHBondContact N-O 3.16Å; T7-V132 HydrophobicContact CG2-CG2 3.53Å; T7-V132 WeakPolarHBondContact O-CA 3.41Å; T7-V133 PolarHBondContact O-N 3.49Å
8G93.3Very high94.4Very high2 Ų215.9 Ų15.92%0.02110%0.101CC..EExtended strand (participates in β ladder)trans-178.1170.2-17800000111.1K168G8-K168 PolarHBondContact O-NZ 2.92Å
9G89.6Confident94.5Very high9 Ų917.8 Ų17.89%0.09312%0.115CC..  trans-80.2164.4170.400000111.2A11 S12 L165G9-A11 PolarHBondContact O-N 3.32Å; G9-S12 PolarHBondContact N-OG 2.93Å; G9-S12 WeakPolarHBondContact O-CB 3.21Å; G9-S12 PolarHBondContact O-N 2.74Å; G9-S12 VanDerWaalsContact O-N 3.1Å; G9-S12 PolarHBondContact O-OG 3.2Å; G9-S12 VanDerWaalsContact O-OG 3.14Å; G9-L165 VanDerWaalsContact N-CD1 3.27Å
10I88.9Confident94.6Very high32 Ų3217.3 Ų17.316%0.16411%0.111CC..THydrogen-bonded Turntrans-51.3135.9166-168.9169.9000109.8S12 Q140 L144 R158 V159I10-S12 PolarHBondContact O-N 2.8Å; I10-Q140 WeakPolarHBondContact O-CG 3.33Å; I10-Q140 PolarHBondContact O-NE2 3.42Å; I10-L144 HydrophobicContact CD1-CD1 3.59Å; I10-L144 HydrophobicContact CD1-CD2 4Å; I10-L144 HydrophobicContact CD1-CG 4.48Å; I10-L144 HydrophobicContact CG1-CD1 3.84Å; I10-L144 HydrophobicContact CG1-CD2 4.35Å; I10-L144 HydrophobicContact CG2-CD2 4.06Å; I10-R158 HydrophobicContact CD1-CB 4.45Å; I10-V159 HydrophobicContact CG2-CG2 3.85Å
11A90.6Very high94.8Very high15 Ų1516.7 Ų16.712%0.12411%0.107CC..THydrogen-bonded Turntrans57.815.1-178.100000116.3G9 G13 R143 L144G9-A11 PolarHBondContact O-N 3.32Å; A11-G13 PolarHBondContact O-N 2.86Å; A11-R143 HydrophobicContact CB-CB 4.02Å; A11-L144 HydrophobicContact CB-CB 3.79Å; A11-L144 HydrophobicContact CB-CD1 4.45Å
12S92.9Very high94.9Very high1 Ų120.9 Ų20.91%0.00712%0.122CC..SBendtrans-74.8-8.4175.6810000114.3G9 I10 V133 N178G9-S12 PolarHBondContact N-OG 2.93Å; G9-S12 WeakPolarHBondContact O-CB 3.21Å; G9-S12 PolarHBondContact O-N 2.74Å; G9-S12 VanDerWaalsContact O-N 3.1Å; G9-S12 PolarHBondContact O-OG 3.2Å; G9-S12 VanDerWaalsContact O-OG 3.14Å; I10-S12 PolarHBondContact O-N 2.8Å; S12-V133 VanDerWaalsContact CB-O 3.25Å; S12-V133 WeakPolarHBondContact CB-O 3.17Å; S12-V133 WeakPolarHBondContact O-CG1 3.45Å; S12-V133 PolarHBondContact OG-O 3.1Å; S12-N178 PolarHBondContact O-ND2 2.96Å
13G92.4Very high95Very high14 Ų1427 Ų2714%0.14415%0.151CC..  trans79.327.4-17800000114.3A11 S15 T16 V17 N178A11-G13 PolarHBondContact O-N 2.86Å; G13-S15 PolarHBondContact O-N 3.37Å; G13-T16 VanDerWaalsContact O-CB 3.26Å; G13-T16 WeakPolarHBondContact O-CB 3.17Å; G13-T16 PolarHBondContact O-N 3.24Å; G13-V17 PolarHBondContact O-N 3.18Å; G13-N178 WeakPolarHBondContact CA-ND2 3.25Å
14K95.1Very high95Very high32 Ų3228.8 Ų28.814%0.13916%0.16CC..Hα-helixtrans-48.9-40.7169.6-17618063.467.50113.1L6 T16 V17 S18 D113 V133L6-K14 HydrophobicContact CD2-CG 4.16Å; L6-K14 HydrophobicContact CG-CG 4.04Å; K14-T16 VanDerWaalsContact C-N 3.29Å; K14-T16 PolarHBondContact O-N 3.19Å; K14-V17 PolarHBondContact O-N 3.14Å; K14-S18 VanDerWaalsContact O-CB 3.25Å; K14-S18 WeakPolarHBondContact O-CB 3.44Å; K14-S18 PolarHBondContact O-N 3.09Å; K14-D113 VanDerWaalsContact CD-OD1 3.23Å; K14-D113 WeakPolarHBondContact CD-OD1 3.46Å; K14-D113 VanDerWaalsContact CE-OD1 3.3Å; K14-D113 WeakPolarHBondContact CE-OD1 3.42Å; K14-D113 VanDerWaalsContact NZ-CG 3.28Å; K14-D113 IonicContact NZ-OD1 2.61Å; K14-D113 PolarHBondContact NZ-OD1 3.37Å; K14-D113 IonicContact NZ-OD2 3.56Å; K14-D113 PolarHBondContact NZ-OD2 2.89Å; K14-V133 HydrophobicContact CB-CB 4.44Å; K14-V133 HydrophobicContact CB-CG2 4.39Å; K14-V133 HydrophobicContact CG-CG2 4.44Å
15S93.6Very high95Very high80 Ų8031 Ų3156%0.55918%0.183SC*.Hα-helixtrans-60.6-37.2176.451.80000112.4G13 S18 S19G13-S15 PolarHBondContact O-N 3.37Å; S15-S18 PolarHBondContact O-N 3.41Å; S15-S19 WeakPolarHBondContact O-CB 3.33Å; S15-S19 PolarHBondContact O-N 3.06Å; S15-S19 PolarHBondContact O-OG 3.45Å; S15-S19 VanDerWaalsContact O-OG 3.08Å
16T95.1Very high94.9Very high48 Ų4831.4 Ų31.429%0.29419%0.186SC..Hα-helixtrans-62.5-48.6176.4-53.80000110.7G13 K14 S19 L20G13-T16 VanDerWaalsContact O-CB 3.26Å; G13-T16 WeakPolarHBondContact O-CB 3.17Å; G13-T16 PolarHBondContact O-N 3.24Å; K14-T16 VanDerWaalsContact C-N 3.29Å; K14-T16 PolarHBondContact O-N 3.19Å; T16-S19 PolarHBondContact O-N 2.92Å; T16-L20 HydrophobicContact CG2-CD1 4.28Å; T16-L20 WeakPolarHBondContact O-CG 3.45Å; T16-L20 PolarHBondContact O-N 3.31Å
17V97.1Very high94.9Very high0 Ų031.8 Ų31.80%019%0.189CC..Hα-helixtrans-63.8-42.9177.3171.80000111.6L6 G13 K14 S19 L20 L21 V133 V176 T185 V189L6-V17 HydrophobicContact CD1-CG1 4Å; L6-V17 HydrophobicContact CD2-CG1 4.41Å; G13-V17 PolarHBondContact O-N 3.18Å; K14-V17 PolarHBondContact O-N 3.14Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.1Å; V17-L20 PolarHBondContact O-N 3.45Å; V17-L21 HydrophobicContact CG1-CD1 4.07Å; V17-L21 WeakPolarHBondContact O-CG 3.29Å; V17-L21 PolarHBondContact O-N 3.08Å; V17-V133 HydrophobicContact CB-CG2 3.77Å; V17-V133 HydrophobicContact CG1-CG2 3.93Å; V17-V133 HydrophobicContact CG2-CB 4.37Å; V17-V133 HydrophobicContact CG2-CG1 3.73Å; V17-V133 HydrophobicContact CG2-CG2 3.68Å; V17-V176 HydrophobicContact CG2-CB 4.46Å; V17-V176 HydrophobicContact CG2-CG1 3.77Å; V17-T185 HydrophobicContact CG2-CG2 3.94Å; V17-V189 HydrophobicContact CB-CG2 4.33Å; V17-V189 HydrophobicContact CG1-CG2 3.85Å; V17-V189 HydrophobicContact CG2-CG2 4.12Å
18S96.5Very high94.9Very high1 Ų132.8 Ų32.81%0.00719%0.193CC..Hα-helixtrans-58.4-43174.9-169.30000111K14 S15 R22 I28 D113K14-S18 VanDerWaalsContact O-CB 3.25Å; K14-S18 WeakPolarHBondContact O-CB 3.44Å; K14-S18 PolarHBondContact O-N 3.09Å; S15-S18 PolarHBondContact O-N 3.41Å; S18-R22 WeakPolarHBondContact O-CG 3.39Å; S18-R22 PolarHBondContact O-N 3.42Å; S18-R22 VanDerWaalsContact O-N 3.11Å; S18-R22 PolarHBondContact O-NH1 3.22Å; S18-R22 PolarHBondContact OG-NH1 3.29Å; S18-R22 PolarHBondContact OG-NH2 3.09Å; S18-I28 WeakPolarHBondContact O-CD1 3.43Å; S18-D113 WeakPolarHBondContact CB-OD2 3.5Å; S18-D113 PolarHBondContact OG-OD2 3.42Å
19S96.4Very high95.1Very high53 Ų5332.7 Ų32.737%0.37119%0.192SC..Hα-helixtrans-65.8-46.2175.1-65.20000112.8S15 T16 V17 L21 R22 E23S15-S19 WeakPolarHBondContact O-CB 3.33Å; S15-S19 PolarHBondContact O-N 3.06Å; S15-S19 PolarHBondContact O-OG 3.45Å; S15-S19 VanDerWaalsContact O-OG 3.08Å; T16-S19 PolarHBondContact O-N 2.92Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.1Å; S19-L21 VanDerWaalsContact C-N 3.3Å; S19-L21 PolarHBondContact O-N 2.88Å; S19-R22 WeakPolarHBondContact O-CB 3.43Å; S19-R22 PolarHBondContact O-N 3.07Å; S19-R22 VanDerWaalsContact O-N 3.07Å; S19-E23 WeakPolarHBondContact O-CG 3.4Å; S19-E23 PolarHBondContact O-N 3.3Å
20L97.4Very high95.4Very high7 Ų733.9 Ų33.94%0.03720%0.197CC..Hα-helixtrans-59.6-40.7177.6-70.9169000111.9T16 V17 E23 L24 T185 Q186 V189T16-L20 HydrophobicContact CG2-CD1 4.28Å; T16-L20 WeakPolarHBondContact O-CG 3.45Å; T16-L20 PolarHBondContact O-N 3.31Å; V17-L20 PolarHBondContact O-N 3.45Å; L20-E23 PolarHBondContact O-N 3.09Å; L20-L24 WeakPolarHBondContact O-CG 3.42Å; L20-L24 PolarHBondContact O-N 3.48Å; L20-T185 HydrophobicContact CD1-CG2 4.26Å; L20-Q186 HydrophobicContact CD1-CB 4.4Å; L20-Q186 HydrophobicContact CD2-CB 4.47Å; L20-Q186 HydrophobicContact CD2-CG 4.19Å; L20-V189 HydrophobicContact CB-CB 4.41Å; L20-V189 HydrophobicContact CB-CG1 3.88Å; L20-V189 HydrophobicContact CB-CG2 4.44Å; L20-V189 HydrophobicContact CD1-CB 4.46Å; L20-V189 HydrophobicContact CD1-CG2 4.08Å
21L97.5Very high95.5Very high4 Ų433 Ų332%0.02120%0.195CC..Hα-helixtrans-64.4-39.3174.6-75.3169.6000112L6 V17 S19 E23 L24 G25 C26 I28 V111 V189 H193L6-L21 HydrophobicContact CD2-CD1 4.45Å; V17-L21 HydrophobicContact CG1-CD1 4.07Å; V17-L21 WeakPolarHBondContact O-CG 3.29Å; V17-L21 PolarHBondContact O-N 3.08Å; S19-L21 VanDerWaalsContact C-N 3.3Å; S19-L21 PolarHBondContact O-N 2.88Å; L21-E23 VanDerWaalsContact C-N 3.35Å; L21-L24 PolarHBondContact O-N 3.49Å; L21-G25 PolarHBondContact O-N 2.9Å; L21-C26 HydrophobicContact CB-CB 4.15Å; L21-C26 WeakPolarHBondContact O-CB 3.37Å; L21-C26 PolarHBondContact O-N 2.97Å; L21-I28 HydrophobicContact CB-CD1 3.81Å; L21-V111 HydrophobicContact CD1-CG2 4.4Å; L21-V189 HydrophobicContact CD2-CG1 3.73Å; L21-V189 HydrophobicContact CG-CG1 3.81Å; L21-H193 HydrophobicContact CD2-CB 4.35Å
22R96.8Very high95.5Very high104 Ų10436 Ų3639%0.39221%0.208SC..Hα-helixtrans-62.9-40.9174.3-72.2-178.3-172.293.60.2112S18 S19 L24 G25 I28S18-R22 WeakPolarHBondContact O-CG 3.39Å; S18-R22 PolarHBondContact O-N 3.42Å; S18-R22 VanDerWaalsContact O-N 3.11Å; S18-R22 PolarHBondContact O-NH1 3.22Å; S18-R22 PolarHBondContact OG-NH1 3.29Å; S18-R22 PolarHBondContact OG-NH2 3.09Å; S19-R22 WeakPolarHBondContact O-CB 3.43Å; S19-R22 PolarHBondContact O-N 3.07Å; S19-R22 VanDerWaalsContact O-N 3.07Å; R22-L24 PolarHBondContact O-N 3.36Å; R22-G25 WeakPolarHBondContact O-CA 3.41Å; R22-G25 PolarHBondContact O-N 3.42Å; R22-I28 HydrophobicContact CG-CB 4.32Å; R22-I28 HydrophobicContact CG-CD1 3.65Å; R22-I28 HydrophobicContact CG-CG1 3.84Å
23E96.9Very high95.5Very high133 Ų13338.8 Ų38.862%0.62123%0.225SC*.Hα-helixtrans-61.3-32.3176.7-71.2168.7-164.600111.9S19 L20 L21 G25S19-E23 WeakPolarHBondContact O-CG 3.4Å; S19-E23 PolarHBondContact O-N 3.3Å; L20-E23 PolarHBondContact O-N 3.09Å; L21-E23 VanDerWaalsContact C-N 3.35Å; E23-G25 PolarHBondContact O-N 3.21Å
24L96.5Very high95.6Very high67 Ų6738.3 Ų38.335%0.35122%0.219SC..THydrogen-bonded Turntrans-78.25.1172.7-63.2171.6000113.6L20 L21 R22 V189 L190 H193L20-L24 WeakPolarHBondContact O-CG 3.42Å; L20-L24 PolarHBondContact O-N 3.48Å; L21-L24 PolarHBondContact O-N 3.49Å; R22-L24 PolarHBondContact O-N 3.36Å; L24-V189 HydrophobicContact CD1-CG1 4.07Å; L24-L190 HydrophobicContact CD1-CD1 4.36Å; L24-L190 HydrophobicContact CD2-CD1 4.08Å; L24-H193 HydrophobicContact CD1-CB 3.87Å
25G96.1Very high95.4Very high48 Ų4838.4 Ų38.450%0.49523%0.226SC..THydrogen-bonded Turntrans82.29.6178.800000114.8L21 R22 E23L21-G25 PolarHBondContact O-N 2.9Å; R22-G25 WeakPolarHBondContact O-CA 3.41Å; R22-G25 PolarHBondContact O-N 3.42Å; E23-G25 PolarHBondContact O-N 3.21Å
26C96.3Very high95.3Very high8 Ų840.7 Ų40.75%0.05422%0.223CC..  trans-71.7130.9178.7-173.90000111.2L21 I28 Y109 V111L21-C26 HydrophobicContact CB-CB 4.15Å; L21-C26 WeakPolarHBondContact O-CB 3.37Å; L21-C26 PolarHBondContact O-N 2.97Å; C26-I28 PolarHBondContact O-N 3.34Å; C26-Y109 WeakPolarHBondContact SG-CE2 3.4Å; C26-Y109 VanDerWaalsContact SG-CZ 3.54Å; C26-Y109 PolarHBondContact SG-OH 2.88Å; C26-V111 WeakPolarHBondContact SG-CG2 3.26Å
27P97.1Very high95.2Very high10 Ų1044.2 Ų44.27%0.06523%0.234CC..  trans-73.4127.317430.8-32.8000109.7F102 Y107 Y109 V110 V111P27-F102 HydrophobicContact CB-CB 4.46Å; P27-F102 HydrophobicContact CB-CD1 3.48Å; P27-F102 VanDerWaalsContact CB-CD1 3.48Å; P27-F102 HydrophobicContact CB-CD2 3.88Å; P27-F102 HydrophobicContact CB-CE1 3.5Å; P27-F102 HydrophobicContact CB-CE2 3.9Å; P27-F102 HydrophobicContact CB-CG 3.69Å; P27-F102 HydrophobicContact CB-CZ 3.72Å; P27-F102 HydrophobicContact CG-CD1 4.27Å; P27-F102 HydrophobicContact CG-CG 4.29Å; P27-Y107 HydrophobicContact CB-CD1 4.28Å; P27-Y107 HydrophobicContact CB-CE1 4.28Å; P27-Y107 VanDerWaalsContact CD-CD1 3.46Å; P27-Y107 HydrophobicContact CG-CD1 3.46Å; P27-Y107 VanDerWaalsContact CG-CD1 3.46Å; P27-Y107 HydrophobicContact CG-CE1 3.89Å; P27-Y107 HydrophobicContact CG-CG 3.79Å; P27-Y109 VanDerWaalsContact CG-O 3.24Å; P27-Y109 WeakPolarHBondContact CG-O 3.36Å; P27-V110 HydrophobicContact CB-CG2 4.08Å; P27-V110 HydrophobicContact CG-CB 4.1Å; P27-V110 HydrophobicContact CG-CG2 4.08Å; P27-V110 WeakPolarHBondContact O-CG2 3.48Å; P27-V111 PolarHBondContact O-N 3.1Å
28I97.4Very high95.1Very high20 Ų2045 Ų4510%0.10324%0.239CC..EExtended strand (participates in β ladder)trans-121.8126.8179-51.5-162.7000110.1S18 L21 R22 C26 V111 D113S18-I28 WeakPolarHBondContact O-CD1 3.43Å; L21-I28 HydrophobicContact CB-CD1 3.81Å; R22-I28 HydrophobicContact CG-CB 4.32Å; R22-I28 HydrophobicContact CG-CD1 3.65Å; R22-I28 HydrophobicContact CG-CG1 3.84Å; C26-I28 PolarHBondContact O-N 3.34Å; I28-V111 CarbonylContact C-O 3.55Å; I28-V111 WeakPolarHBondContact CA-O 3.49Å; I28-V111 HydrophobicContact CG1-CB 4.14Å; I28-V111 HydrophobicContact CG2-CB 4.44Å; I28-V111 HydrophobicContact CG2-CG1 4.39Å; I28-D113 HydrophobicContact CG2-CB 3.86Å
29I97.1Very high94.9Very high0 Ų046.2 Ų46.20%025%0.246CC..EExtended strand (participates in β ladder)trans-104107.6171.9-59172.1000107.4V34 M95 Q98 I99 F102 V110 V111 L112 D113I29-V34 HydrophobicContact CG2-CG2 4.17Å; I29-M95 HydrophobicContact CG2-CE 4.22Å; I29-M95 HydrophobicContact CG2-CG 4.22Å; I29-Q98 HydrophobicContact CD1-CB 3.61Å; I29-Q98 HydrophobicContact CG1-CB 3.96Å; I29-I99 HydrophobicContact CD1-CB 4.37Å; I29-I99 HydrophobicContact CD1-CG1 3.47Å; I29-I99 VanDerWaalsContact CD1-CG1 3.47Å; I29-F102 HydrophobicContact CD1-CD2 4.2Å; I29-F102 HydrophobicContact CD1-CE2 4.34Å; I29-F102 HydrophobicContact CG1-CD2 4.29Å; I29-F102 HydrophobicContact CG1-CE2 3.96Å; I29-V110 HydrophobicContact CD1-CG2 3.71Å; I29-V110 HydrophobicContact CG1-CG2 3.83Å; I29-V111 PolarHBondContact N-O 3.37Å; I29-L112 HydrophobicContact CB-CD2 3.89Å; I29-L112 HydrophobicContact CD1-CD2 3.86Å; I29-L112 HydrophobicContact CG1-CD2 4.34Å; I29-L112 HydrophobicContact CG2-CD2 4.42Å; I29-D113 PolarHBondContact O-N 2.87Å
30D95.4Very high94.8Very high34 Ų3448.7 Ų48.718%0.18225%0.252CS..EExtended strand (participates in β ladder)trans-86.3114.1178.1-176.3-38.4000110.4D32 V33 V34D30-D32 VanDerWaalsContact C-N 3.3Å; D30-D32 PolarHBondContact O-N 2.98Å; D30-D32 WeakPolarHBondContact OD1-CA 3.42Å; D30-D32 WeakPolarHBondContact OD1-CB 3.47Å; D30-D32 PolarHBondContact OD1-N 2.96Å; D30-V33 HydrophobicContact CB-CB 3.95Å; D30-V33 HydrophobicContact CB-CG2 3.89Å; D30-V33 PolarHBondContact O-N 2.93Å; D30-V33 PolarHBondContact OD1-N 3.47Å; D30-V34 VanDerWaalsContact O-CG2 3.31Å; D30-V34 WeakPolarHBondContact O-CG2 3.38Å; D30-V34 PolarHBondContact O-N 3.23Å
31A91.6Very high94.6Very high15 Ų1550.5 Ų50.512%0.12426%0.264CS..Hα-helixtrans-65.5-32.7-176.800000112.9V34 A35 M95 D113 V114A31-V34 PolarHBondContact O-N 3.35Å; A31-A35 VanDerWaalsContact O-CB 3.3Å; A31-A35 WeakPolarHBondContact O-CB 3.43Å; A31-A35 PolarHBondContact O-N 3.16Å; A31-M95 HydrophobicContact CB-CE 4.48Å; A31-M95 HydrophobicContact CB-SD 4.48Å; A31-D113 WeakPolarHBondContact CB-O 3.31Å; A31-D113 PolarHBondContact N-O 3.07Å; A31-V114 HydrophobicContact CB-CG2 4.02Å
32D90.2Very high94.2Very high76 Ų7658.6 Ų58.641%0.40630%0.301SS..Hα-helixtrans-71.1-42.2177.7-70-18.5000110.1D30 V34 A35 R36D30-D32 VanDerWaalsContact C-N 3.3Å; D30-D32 PolarHBondContact O-N 2.98Å; D30-D32 WeakPolarHBondContact OD1-CA 3.42Å; D30-D32 WeakPolarHBondContact OD1-CB 3.47Å; D30-D32 PolarHBondContact OD1-N 2.96Å; D32-V34 VanDerWaalsContact C-N 3.32Å; D32-V34 PolarHBondContact O-N 3.43Å; D32-A35 PolarHBondContact O-N 3.14Å; D32-R36 WeakPolarHBondContact O-CG 3.46Å; D32-R36 PolarHBondContact O-N 2.9Å
33V93Very high94Very high60 Ų6054.5 Ų54.536%0.36429%0.289SS..Hα-helixtrans-62.5-42.3174.2174.20000110.7D30 R36 K37D30-V33 HydrophobicContact CB-CB 3.95Å; D30-V33 HydrophobicContact CB-CG2 3.89Å; D30-V33 PolarHBondContact O-N 2.93Å; D30-V33 PolarHBondContact OD1-N 3.47Å; V33-R36 PolarHBondContact O-N 3.34Å; V33-K37 HydrophobicContact CG1-CD 4.2Å; V33-K37 WeakPolarHBondContact O-CG 3.23Å; V33-K37 PolarHBondContact O-N 3.21Å
34V94.3Very high93.9Very high4 Ų452.1 Ų52.12%0.02428%0.284CS..Hα-helixtrans-63-46.6176.2173.50000111.3I29 D30 A31 D32 R36 K37 V38 I91 A94 M95I29-V34 HydrophobicContact CG2-CG2 4.17Å; D30-V34 VanDerWaalsContact O-CG2 3.31Å; D30-V34 WeakPolarHBondContact O-CG2 3.38Å; D30-V34 PolarHBondContact O-N 3.23Å; A31-V34 PolarHBondContact O-N 3.35Å; D32-V34 VanDerWaalsContact C-N 3.32Å; D32-V34 PolarHBondContact O-N 3.43Å; V34-R36 PolarHBondContact O-N 3.48Å; V34-K37 PolarHBondContact O-N 3.28Å; V34-K37 VanDerWaalsContact O-N 3.12Å; V34-V38 HydrophobicContact CG1-CG1 4.2Å; V34-V38 WeakPolarHBondContact O-CG1 3.08Å; V34-V38 PolarHBondContact O-N 3.35Å; V34-I91 HydrophobicContact CG1-CG2 4.18Å; V34-A94 HydrophobicContact CG1-CB 3.64Å; V34-M95 HydrophobicContact CB-CG 4.39Å; V34-M95 HydrophobicContact CG1-CG 3.97Å; V34-M95 HydrophobicContact CG2-CG 4.36Å
35A91.1Very high93.8Very high34 Ų3448.9 Ų48.928%0.28127%0.268SS..Hα-helixtrans-57.6-34.317800000112.6A31 D32 V38 I91A31-A35 VanDerWaalsContact O-CB 3.3Å; A31-A35 WeakPolarHBondContact O-CB 3.43Å; A31-A35 PolarHBondContact O-N 3.16Å; D32-A35 PolarHBondContact O-N 3.14Å; A35-V38 WeakPolarHBondContact O-CG2 3.24Å; A35-I91 HydrophobicContact CB-CD1 3.81Å; A35-I91 HydrophobicContact CB-CG1 4.32Å
36R91.7Very high93.8Very high129 Ų12948 Ų4849%0.48725%0.25SC..Hα-helixtrans-70.9-45.7174.8-67.2173-177-1725.5112.3D32 V33 V34 V38 V39 R66D32-R36 WeakPolarHBondContact O-CG 3.46Å; D32-R36 PolarHBondContact O-N 2.9Å; V33-R36 PolarHBondContact O-N 3.34Å; V34-R36 PolarHBondContact O-N 3.48Å; R36-V38 VanDerWaalsContact C-N 3.35Å; R36-V38 PolarHBondContact O-N 3.04Å; R36-V39 VanDerWaalsContact O-CG2 3.25Å; R36-V39 WeakPolarHBondContact O-CG2 3.41Å; R36-V39 PolarHBondContact O-N 3.5Å; R36-R66 VanDerWaalsContact CG-NH2 3.35Å
37K93.5Very high93.7Very high122 Ų12251 Ų5153%0.5327%0.27SS..Hα-helixtrans-65-36.4-177.4-74.8-177.3175.1-172.70113.1V33 V34 V39 E40V33-K37 HydrophobicContact CG1-CD 4.2Å; V33-K37 WeakPolarHBondContact O-CG 3.23Å; V33-K37 PolarHBondContact O-N 3.21Å; V34-K37 PolarHBondContact O-N 3.28Å; V34-K37 VanDerWaalsContact O-N 3.12Å; K37-V39 PolarHBondContact O-N 3.27Å; K37-E40 WeakPolarHBondContact O-CB 3.02Å; K37-E40 PolarHBondContact O-N 2.9Å
38V94Very high93.7Very high16 Ų1654.9 Ų54.910%0.09728%0.283CS..THydrogen-bonded Turntrans-71.6-10.5-177.3-61.40000114V34 A35 R36 S43 A45 E90 I91 A94V34-V38 HydrophobicContact CG1-CG1 4.2Å; V34-V38 WeakPolarHBondContact O-CG1 3.08Å; V34-V38 PolarHBondContact O-N 3.35Å; A35-V38 WeakPolarHBondContact O-CG2 3.24Å; R36-V38 VanDerWaalsContact C-N 3.35Å; R36-V38 PolarHBondContact O-N 3.04Å; V38-S43 WeakPolarHBondContact O-CB 3.1Å; V38-S43 PolarHBondContact O-OG 3.17Å; V38-A45 WeakPolarHBondContact O-CB 3.21Å; V38-E90 HydrophobicContact CB-CB 4.06Å; V38-E90 HydrophobicContact CG1-CB 4.33Å; V38-E90 HydrophobicContact CG2-CB 4.48Å; V38-I91 HydrophobicContact CG2-CG1 3.63Å; V38-A94 HydrophobicContact CG1-CB 3.68Å
39V93.7Very high93.6Very high26 Ų2654 Ų5416%0.15828%0.279CS..THydrogen-bonded Turntrans-112.811.1176.2-56.90000112.7R36 K37 A45 I49 I64 T87R36-V39 VanDerWaalsContact O-CG2 3.25Å; R36-V39 WeakPolarHBondContact O-CG2 3.41Å; R36-V39 PolarHBondContact O-N 3.5Å; K37-V39 PolarHBondContact O-N 3.27Å; V39-A45 HydrophobicContact CG1-CB 4.22Å; V39-I49 HydrophobicContact CB-CD1 4.2Å; V39-I49 HydrophobicContact CG1-CD1 3.61Å; V39-I64 HydrophobicContact CB-CD1 4.17Å; V39-T87 HydrophobicContact CG1-CG2 3.87Å
40E93.1Very high93.5Very high105 Ų10555.4 Ų55.449%0.49129%0.287SS..SBendtrans-61.7154.4173.1-78.1173.2-174.300111K37 H42 S43 Y46K37-E40 WeakPolarHBondContact O-CB 3.02Å; K37-E40 PolarHBondContact O-N 2.9Å; E40-H42 PolarHBondContact O-N 3.46Å; E40-S43 WeakPolarHBondContact O-CB 3.43Å; E40-S43 PolarHBondContact O-N 3.24Å; E40-S43 PolarHBondContact O-OG 3.06Å; E40-Y46 WeakPolarHBondContact O-CB 3.4Å
41P93Very high93.5Very high45 Ų4562.3 Ų62.329%0.29232%0.315SS..THydrogen-bonded Turntrans-47.1142.4178-29.436.1000112.5S43 E63P41-S43 PolarHBondContact O-N 2.87Å; P41-E63 HydrophobicContact CG-CG 3.98Å
42H89.2Confident93.6Very high175 Ų17566.8 Ų66.881%0.8133%0.334SS*.THydrogen-bonded Turntrans68.7-1.6-177.1-43.5-70.9000116.3E40E40-H42 PolarHBondContact O-N 3.46Å
43S93.8Very high93.7Very high18 Ų1863.7 Ų63.713%0.12632%0.317CS..SBendtrans-70.5152.8171.467.50000112.1V38 E40 P41 A45 Y46 C47V38-S43 WeakPolarHBondContact O-CB 3.1Å; V38-S43 PolarHBondContact O-OG 3.17Å; E40-S43 WeakPolarHBondContact O-CB 3.43Å; E40-S43 PolarHBondContact O-N 3.24Å; E40-S43 PolarHBondContact O-OG 3.06Å; P41-S43 PolarHBondContact O-N 2.87Å; S43-A45 PolarHBondContact O-N 3.12Å; S43-Y46 WeakPolarHBondContact O-CB 3.25Å; S43-Y46 PolarHBondContact O-N 3.17Å; S43-Y46 VanDerWaalsContact O-N 3.17Å; S43-Y46 WeakPolarHBondContact OG-CB 3.47Å; S43-Y46 PolarHBondContact OG-N 2.66Å; S43-Y46 VanDerWaalsContact OG-N 3.12Å; S43-C47 PolarHBondContact O-N 3.24Å; S43-C47 PolarHBondContact O-SG 2.81Å
44P93.6Very high93.8Very high82 Ų8261.6 Ų61.653%0.53231%0.307SS..Hα-helixtrans-60-30.1176-25.434.6000114R48P44-R48 WeakPolarHBondContact O-CG 3.44Å; P44-R48 PolarHBondContact O-N 3.49Å; P44-R48 PolarHBondContact O-NE 2.7Å; P44-R48 VanDerWaalsContact O-NE 3.14Å
45A94.9Very high93.7Very high0 Ų065.9 Ų65.90%034%0.335CS..Hα-helixtrans-73.2-45.5175.500000110.4V38 V39 S43 C47 R48 I49 I86 E90V38-A45 WeakPolarHBondContact O-CB 3.21Å; V39-A45 HydrophobicContact CG1-CB 4.22Å; S43-A45 PolarHBondContact O-N 3.12Å; A45-C47 PolarHBondContact O-N 3.44Å; A45-R48 PolarHBondContact O-N 2.84Å; A45-I49 VanDerWaalsContact O-CG1 3.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.19Å; A45-I49 PolarHBondContact O-N 3.47Å; A45-I86 HydrophobicContact CB-CG2 4.28Å; A45-E90 HydrophobicContact CB-CB 4.35Å; A45-E90 HydrophobicContact CB-CG 3.93Å
46Y96.1Very high93.7Very high30 Ų3070 Ų7012%0.11835%0.348CS..Hα-helixtrans-52.4-53.1175.3172.2-90.6000111.9E40 S43 R48 I49 V50 L58 G62 I64E40-Y46 WeakPolarHBondContact O-CB 3.4Å; S43-Y46 WeakPolarHBondContact O-CB 3.25Å; S43-Y46 PolarHBondContact O-N 3.17Å; S43-Y46 VanDerWaalsContact O-N 3.17Å; S43-Y46 WeakPolarHBondContact OG-CB 3.47Å; S43-Y46 PolarHBondContact OG-N 2.66Å; S43-Y46 VanDerWaalsContact OG-N 3.12Å; Y46-R48 VanDerWaalsContact C-N 3.27Å; Y46-R48 PolarHBondContact O-N 3.35Å; Y46-I49 PolarHBondContact O-N 2.93Å; Y46-I49 VanDerWaalsContact O-N 3.1Å; Y46-V50 HydrophobicContact CD1-CG2 4.38Å; Y46-V50 HydrophobicContact CD2-CG2 4.28Å; Y46-V50 HydrophobicContact CE1-CG2 3.98Å; Y46-V50 HydrophobicContact CE2-CG2 3.87Å; Y46-V50 HydrophobicContact CG-CG2 4.49Å; Y46-V50 WeakPolarHBondContact O-CG2 3.46Å; Y46-V50 PolarHBondContact O-N 3.2Å; Y46-L58 HydrophobicContact CE2-CD2 3.78Å; Y46-L58 WeakPolarHBondContact OH-CD2 3.29Å; Y46-G62 WeakPolarHBondContact CE2-O 3.32Å; Y46-G62 PolarHBondContact OH-O 3.35Å; Y46-I64 HydrophobicContact CD2-CD1 3.81Å; Y46-I64 HydrophobicContact CD2-CG1 3.79Å; Y46-I64 HydrophobicContact CE2-CD1 4.39Å; Y46-I64 HydrophobicContact CE2-CG1 3.87Å
47C94.4Very high93.9Very high71 Ų7163.9 Ų63.948%0.4833%0.325SS..Hα-helixtrans-59-38.9-178.6-64.20000112.4S43 A45 K51S43-C47 PolarHBondContact O-N 3.24Å; S43-C47 PolarHBondContact O-SG 2.81Å; A45-C47 PolarHBondContact O-N 3.44Å; C47-K51 VanDerWaalsContact O-CB 3.29Å; C47-K51 WeakPolarHBondContact O-CB 3.28Å; C47-K51 PolarHBondContact O-N 3.31Å; C47-K51 VanDerWaalsContact O-N 3.08Å
48R95.8Very high93.9Very high91 Ų9159.8 Ų59.834%0.34331%0.309SS..Hα-helixtrans-70.1-41.2176.5-76.4-175.4-73.1-176.8-3.5112.1P44 A45 Y46 K51 H52 I86 E90P44-R48 WeakPolarHBondContact O-CG 3.44Å; P44-R48 PolarHBondContact O-N 3.49Å; P44-R48 PolarHBondContact O-NE 2.7Å; P44-R48 VanDerWaalsContact O-NE 3.14Å; A45-R48 PolarHBondContact O-N 2.84Å; Y46-R48 VanDerWaalsContact C-N 3.27Å; Y46-R48 PolarHBondContact O-N 3.35Å; R48-K51 PolarHBondContact O-N 3.13Å; R48-H52 PolarHBondContact O-CD2 3.34Å; R48-H52 PolarHBondContact O-N 2.92Å; R48-H52 VanDerWaalsContact O-N 3.14Å; R48-I86 HydrophobicContact CB-CD1 4.3Å; R48-I86 HydrophobicContact CB-CG1 4.43Å; R48-I86 HydrophobicContact CB-CG2 3.7Å; R48-E90 IonicContact CZ-OE1 3.73Å; R48-E90 IonicContact NH2-OE1 2.67Å; R48-E90 PolarHBondContact NH2-OE1 3.07Å
49I95.5Very high93.9Very high1 Ų162.5 Ų62.51%0.00532%0.323CS..Hα-helixtrans-61.3-52.6177.5-67.2164.5000109.6V39 A45 Y46 K51 H52 F53 I57 I64 L69 L83 I86 T87V39-I49 HydrophobicContact CB-CD1 4.2Å; V39-I49 HydrophobicContact CG1-CD1 3.61Å; A45-I49 VanDerWaalsContact O-CG1 3.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.19Å; A45-I49 PolarHBondContact O-N 3.47Å; Y46-I49 PolarHBondContact O-N 2.93Å; Y46-I49 VanDerWaalsContact O-N 3.1Å; I49-K51 VanDerWaalsContact C-N 3.29Å; I49-K51 PolarHBondContact O-N 3.32Å; I49-H52 PolarHBondContact O-N 3.4Å; I49-H52 VanDerWaalsContact O-N 3.09Å; I49-F53 HydrophobicContact CG2-CD2 3.99Å; I49-F53 WeakPolarHBondContact O-CB 3.21Å; I49-F53 WeakPolarHBondContact O-CD2 3.46Å; I49-F53 PolarHBondContact O-N 3.03Å; I49-I57 HydrophobicContact CG2-CD1 3.69Å; I49-I64 HydrophobicContact CB-CD1 4.37Å; I49-I64 HydrophobicContact CD1-CD1 4.13Å; I49-I64 HydrophobicContact CG2-CD1 4.02Å; I49-L69 HydrophobicContact CG2-CD2 4.31Å; I49-L83 HydrophobicContact CD1-CD1 3.7Å; I49-L83 HydrophobicContact CG1-CD1 3.75Å; I49-L83 HydrophobicContact CG2-CD1 4.3Å; I49-I86 HydrophobicContact CG1-CD1 4.46Å; I49-I86 HydrophobicContact CG1-CG2 3.98Å; I49-T87 HydrophobicContact CD1-CG2 3.98Å
50V95.3Very high93.8Very high30 Ų3071.4 Ų71.418%0.18236%0.363CS..Hα-helixtrans-60.2-39.1179.41780000111.7Y46 H52 G54 L58Y46-V50 HydrophobicContact CD1-CG2 4.38Å; Y46-V50 HydrophobicContact CD2-CG2 4.28Å; Y46-V50 HydrophobicContact CE1-CG2 3.98Å; Y46-V50 HydrophobicContact CE2-CG2 3.87Å; Y46-V50 HydrophobicContact CG-CG2 4.49Å; Y46-V50 WeakPolarHBondContact O-CG2 3.46Å; Y46-V50 PolarHBondContact O-N 3.2Å; V50-H52 VanDerWaalsContact C-N 3.31Å; V50-H52 PolarHBondContact O-N 2.85Å; V50-G54 CarbonylContact O-C 3.47Å; V50-G54 VanDerWaalsContact O-CA 3.25Å; V50-G54 WeakPolarHBondContact O-CA 3.36Å; V50-G54 PolarHBondContact O-N 2.74Å; V50-L58 HydrophobicContact CG1-CD1 4.11Å; V50-L58 HydrophobicContact CG2-CD1 4.24Å; V50-L58 HydrophobicContact CG2-CD2 3.75Å; V50-L58 HydrophobicContact CG2-CG 4.31Å
51K94.9Very high93.7Very high178 Ų17871.3 Ų71.377%0.77437%0.366SS*.Hα-helixtrans-60.8-37.5176.2-177.1178.4179.3-179.50113.1C47 R48 I49C47-K51 VanDerWaalsContact O-CB 3.29Å; C47-K51 WeakPolarHBondContact O-CB 3.28Å; C47-K51 PolarHBondContact O-N 3.31Å; C47-K51 VanDerWaalsContact O-N 3.08Å; R48-K51 PolarHBondContact O-N 3.13Å; I49-K51 VanDerWaalsContact C-N 3.29Å; I49-K51 PolarHBondContact O-N 3.32Å
52H94.3Very high93.6Very high109 Ų10970.4 Ų70.451%0.50536%0.364SS..Hα-helixtrans-89.9-36-175.4-80.9-67.2000114R48 I49 V50 L82R48-H52 PolarHBondContact O-CD2 3.34Å; R48-H52 PolarHBondContact O-N 2.92Å; R48-H52 VanDerWaalsContact O-N 3.14Å; I49-H52 PolarHBondContact O-N 3.4Å; I49-H52 VanDerWaalsContact O-N 3.09Å; V50-H52 VanDerWaalsContact C-N 3.31Å; V50-H52 PolarHBondContact O-N 2.85Å; H52-L82 HydrophobicContact CB-CD2 4.01Å
53F93.6Very high93.7Very high12 Ų1266.6 Ų66.65%0.05335%0.346CS..Hα-helixtrans-102-3.7-174.1-72.2-93.7000113.1I49 E56 I57 L69 I73 K79 L82 L83I49-F53 HydrophobicContact CG2-CD2 3.99Å; I49-F53 WeakPolarHBondContact O-CB 3.21Å; I49-F53 WeakPolarHBondContact O-CD2 3.46Å; I49-F53 PolarHBondContact O-N 3.03Å; F53-E56 VanDerWaalsContact O-OE1 3.04Å; F53-I57 HydrophobicContact CB-CD1 3.51Å; F53-I57 HydrophobicContact CB-CG2 3.95Å; F53-I57 HydrophobicContact CG-CD1 4.49Å; F53-L69 HydrophobicContact CD1-CD1 3.8Å; F53-L69 HydrophobicContact CE1-CD1 4Å; F53-L69 HydrophobicContact CG-CD1 4.11Å; F53-L69 HydrophobicContact CZ-CD1 4.49Å; F53-I73 HydrophobicContact CE1-CG2 4.08Å; F53-I73 HydrophobicContact CZ-CG2 4.36Å; F53-K79 HydrophobicContact CE1-CB 3.94Å; F53-K79 HydrophobicContact CE1-CD 4.32Å; F53-K79 HydrophobicContact CE1-CG 4.19Å; F53-K79 HydrophobicContact CZ-CB 4.36Å; F53-K79 WeakPolarHBondContact CZ-O 3.31Å; F53-L82 HydrophobicContact CE2-CD2 4.21Å; F53-L82 HydrophobicContact CE2-CG 4.31Å; F53-L82 HydrophobicContact CZ-CD2 4.4Å; F53-L83 HydrophobicContact CE2-CB 4.3Å; F53-L83 HydrophobicContact CE2-CD1 4.46Å; F53-L83 HydrophobicContact CZ-CB 4Å
54G93.3Very high93.7Very high16 Ų1666.6 Ų66.617%0.16535%0.345CS..  trans77.4167.4178.200000113.9V50 E56 I57V50-G54 CarbonylContact O-C 3.47Å; V50-G54 VanDerWaalsContact O-CA 3.25Å; V50-G54 WeakPolarHBondContact O-CA 3.36Å; V50-G54 PolarHBondContact O-N 2.74Å; G54-E56 WeakPolarHBondContact CA-OE2 3.49Å; G54-E56 PolarHBondContact O-N 2.86Å; G54-I57 WeakPolarHBondContact O-CD1 3.35Å; G54-I57 WeakPolarHBondContact O-CG1 3.42Å
55P92.6Very high93.8Very high93 Ų9363.8 Ų63.860%0.60433%0.326SS*.G310 helixtrans-70.7-12.8-179.830.6-35.9000113.6I57 L58P55-I57 PolarHBondContact O-N 3.14Å; P55-I57 VanDerWaalsContact O-N 3.16Å; P55-L58 HydrophobicContact CB-CD1 4.4Å; P55-L58 VanDerWaalsContact O-CB 3.28Å; P55-L58 WeakPolarHBondContact O-CB 3.3Å; P55-L58 WeakPolarHBondContact O-CG 3.42Å; P55-L58 PolarHBondContact O-N 2.95Å
56E92.3Very high93.5Very high121 Ų12170.5 Ų70.557%0.56535%0.351SS*.G310 helixtrans-62.2-20.4179.261.1-92.8-14600114.1F53 G54 L58 K68F53-E56 VanDerWaalsContact O-OE1 3.04Å; G54-E56 WeakPolarHBondContact CA-OE2 3.49Å; G54-E56 PolarHBondContact O-N 2.86Å; E56-L58 PolarHBondContact O-N 2.96Å; E56-K68 WeakPolarHBondContact O-CD 3.33Å
57I94Very high93.2Very high0 Ų076 Ų760%038%0.378CS..G310 helixtrans-82.50175.576.4-166.3000112.5I49 F53 G54 P55 D65 L72I49-I57 HydrophobicContact CG2-CD1 3.69Å; F53-I57 HydrophobicContact CB-CD1 3.51Å; F53-I57 HydrophobicContact CB-CG2 3.95Å; F53-I57 HydrophobicContact CG-CD1 4.49Å; G54-I57 WeakPolarHBondContact O-CD1 3.35Å; G54-I57 WeakPolarHBondContact O-CG1 3.42Å; P55-I57 PolarHBondContact O-N 3.14Å; P55-I57 VanDerWaalsContact O-N 3.16Å; I57-D65 WeakPolarHBondContact O-CA 3.34Å; I57-D65 VanDerWaalsContact O-CB 3.29Å; I57-D65 WeakPolarHBondContact O-CB 3.43Å; I57-D65 PolarHBondContact O-N 3.48Å; I57-L72 HydrophobicContact CG2-CD1 3.7Å
58L94.7Very high93Very high36 Ų3677.1 Ų77.119%0.18837%0.374CS..BIsolated β-bridgetrans-93.9146.6-178.6-59.4178.2000111.1Y46 V50 P55 E56 E63 I64Y46-L58 HydrophobicContact CE2-CD2 3.78Å; Y46-L58 WeakPolarHBondContact OH-CD2 3.29Å; V50-L58 HydrophobicContact CG1-CD1 4.11Å; V50-L58 HydrophobicContact CG2-CD1 4.24Å; V50-L58 HydrophobicContact CG2-CD2 3.75Å; V50-L58 HydrophobicContact CG2-CG 4.31Å; P55-L58 HydrophobicContact CB-CD1 4.4Å; P55-L58 VanDerWaalsContact O-CB 3.28Å; P55-L58 WeakPolarHBondContact O-CB 3.3Å; P55-L58 WeakPolarHBondContact O-CG 3.42Å; P55-L58 PolarHBondContact O-N 2.95Å; E56-L58 PolarHBondContact O-N 2.96Å; L58-E63 CarbonylContact C-O 3.53Å; L58-E63 WeakPolarHBondContact CA-O 3.32Å; L58-I64 HydrophobicContact CD2-CG1 4.13Å
59L93.7Very high92.8Very high74 Ų7473.5 Ų73.539%0.38736%0.362SS..  trans-78.4166.7163.4-65.6176.3000109.7N61 G62 E63 D65L59-N61 WeakPolarHBondContact CB-OD1 3.2Å; L59-N61 PolarHBondContact O-N 2.99Å; L59-G62 PolarHBondContact O-N 3.12Å; L59-E63 HydrophobicContact CD1-CB 4.36Å; L59-E63 PolarHBondContact N-O 3.23Å; L59-D65 HydrophobicContact CD2-CB 3.74Å; L59-D65 HydrophobicContact CG-CB 3.9Å
60E91.2Very high92.5Very high213 Ų21374 Ų74100%0.99537%0.367SS*.THydrogen-bonded Turntrans-59.9-29178.1-63.8-178.4176.800112.9G62E60-G62 PolarHBondContact O-N 3.22Å
61N91Very high92.3Very high103 Ų10378.3 Ų78.355%0.55139%0.386SS*.THydrogen-bonded Turntrans-78.80.1176.170.2-7.2000113.7L59 E63L59-N61 WeakPolarHBondContact CB-OD1 3.2Å; L59-N61 PolarHBondContact O-N 2.99Å; N61-E63 VanDerWaalsContact C-N 3.33Å; N61-E63 VanDerWaalsContact ND2-CD 3.35Å; N61-E63 PolarHBondContact ND2-OE2 3.06Å; N61-E63 VanDerWaalsContact ND2-OE2 3.1Å; N61-E63 WeakPolarHBondContact OD1-CB 3.38Å; N61-E63 PolarHBondContact OD1-N 3.04Å
62G90.9Very high92Very high25 Ų2572.4 Ų72.426%0.25836%0.362SS..SBendtrans80.36.1-177.900000114.8Y46 L59 E60Y46-G62 WeakPolarHBondContact CE2-O 3.32Å; Y46-G62 PolarHBondContact OH-O 3.35Å; L59-G62 PolarHBondContact O-N 3.12Å; E60-G62 PolarHBondContact O-N 3.22Å
63E92.8Very high91.9Very high95 Ų9568.6 Ų68.644%0.44435%0.345SS..SBendtrans-81.4158.1170.8-65-177.6156.700111.5P41 L58 L59 N61 D65P41-E63 HydrophobicContact CG-CG 3.98Å; L58-E63 CarbonylContact C-O 3.53Å; L58-E63 WeakPolarHBondContact CA-O 3.32Å; L59-E63 HydrophobicContact CD1-CB 4.36Å; L59-E63 PolarHBondContact N-O 3.23Å; N61-E63 VanDerWaalsContact C-N 3.33Å; N61-E63 VanDerWaalsContact ND2-CD 3.35Å; N61-E63 PolarHBondContact ND2-OE2 3.06Å; N61-E63 VanDerWaalsContact ND2-OE2 3.1Å; N61-E63 WeakPolarHBondContact OD1-CB 3.38Å; N61-E63 PolarHBondContact OD1-N 3.04Å; E63-D65 PolarHBondContact O-N 3.32Å
64I93.4Very high91.4Very high18 Ų1876.4 Ų76.49%0.09238%0.379CS..BIsolated β-bridgetrans-70.5121.1174-65.4172.8000109.8V39 Y46 I49 L58 R66 L69V39-I64 HydrophobicContact CB-CD1 4.17Å; Y46-I64 HydrophobicContact CD2-CD1 3.81Å; Y46-I64 HydrophobicContact CD2-CG1 3.79Å; Y46-I64 HydrophobicContact CE2-CD1 4.39Å; Y46-I64 HydrophobicContact CE2-CG1 3.87Å; I49-I64 HydrophobicContact CB-CD1 4.37Å; I49-I64 HydrophobicContact CD1-CD1 4.13Å; I49-I64 HydrophobicContact CG2-CD1 4.02Å; L58-I64 HydrophobicContact CD2-CG1 4.13Å; I64-R66 PolarHBondContact O-N 3.18Å; I64-L69 HydrophobicContact CG2-CB 4.16Å; I64-L69 HydrophobicContact CG2-CD2 3.66Å
65D94.1Very high91.1Very high24 Ų2480 Ų8013%0.12841%0.407CS..  trans-67.899.3165.6-173.8-26.6000109.3I57 L59 E63 Q67 K68 L69I57-D65 WeakPolarHBondContact O-CA 3.34Å; I57-D65 VanDerWaalsContact O-CB 3.29Å; I57-D65 WeakPolarHBondContact O-CB 3.43Å; I57-D65 PolarHBondContact O-N 3.48Å; L59-D65 HydrophobicContact CD2-CB 3.74Å; L59-D65 HydrophobicContact CG-CB 3.9Å; E63-D65 PolarHBondContact O-N 3.32Å; D65-Q67 PolarHBondContact O-N 3.06Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.48Å; D65-Q67 PolarHBondContact OD1-N 2.98Å; D65-K68 HydrophobicContact CB-CB 4.06Å; D65-K68 HydrophobicContact CB-CD 4.1Å; D65-K68 HydrophobicContact CB-CG 4.28Å; D65-K68 PolarHBondContact O-N 3.36Å; D65-K68 PolarHBondContact OD1-N 3.45Å; D65-K68 WeakPolarHBondContact OD2-CD 3.36Å; D65-K68 WeakPolarHBondContact OD2-CE 3.21Å; D65-K68 VanDerWaalsContact OD2-CG 3.25Å; D65-K68 WeakPolarHBondContact OD2-CG 3.45Å; D65-K68 IonicContact OD2-NZ 3.81Å; D65-L69 WeakPolarHBondContact O-CB 3.49Å; D65-L69 PolarHBondContact O-N 3.48Å
66R90.1Very high91.1Very high141 Ų14177.1 Ų77.153%0.53239%0.39SS..Hα-helixtrans-66.6-28.2-177.9-61.6-175.6-176.5178.14.4112.9R36 I64 G70R36-R66 VanDerWaalsContact CG-NH2 3.35Å; I64-R66 PolarHBondContact O-N 3.18Å; R66-G70 WeakPolarHBondContact O-CA 3.28Å; R66-G70 PolarHBondContact O-N 3.5Å
67Q88.4Confident91.1Very high146 Ų14676 Ų7668%0.68238%0.384SS*.Hα-helixtrans-71.8-48.2179.4-175.5174.8-17.400109.3D65 G70 Q71D65-Q67 PolarHBondContact O-N 3.06Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.48Å; D65-Q67 PolarHBondContact OD1-N 2.98Å; Q67-G70 PolarHBondContact O-N 3.08Å; Q67-Q71 WeakPolarHBondContact O-CG 3.31Å; Q67-Q71 PolarHBondContact O-N 3.16Å
68K91.5Very high91.1Very high94 Ų9481.6 Ų81.641%0.40941%0.414SS..Hα-helixtrans-62.2-49.5174.3-74.2-180-170.2170.50112.2E56 D65 G70 Q71 L72E56-K68 WeakPolarHBondContact O-CD 3.33Å; D65-K68 HydrophobicContact CB-CB 4.06Å; D65-K68 HydrophobicContact CB-CD 4.1Å; D65-K68 HydrophobicContact CB-CG 4.28Å; D65-K68 PolarHBondContact O-N 3.36Å; D65-K68 PolarHBondContact OD1-N 3.45Å; D65-K68 WeakPolarHBondContact OD2-CD 3.36Å; D65-K68 WeakPolarHBondContact OD2-CE 3.21Å; D65-K68 VanDerWaalsContact OD2-CG 3.25Å; D65-K68 WeakPolarHBondContact OD2-CG 3.45Å; D65-K68 IonicContact OD2-NZ 3.81Å; K68-G70 VanDerWaalsContact C-N 3.26Å; K68-G70 PolarHBondContact O-N 3Å; K68-Q71 PolarHBondContact O-N 3.34Å; K68-L72 WeakPolarHBondContact O-CG 3.35Å; K68-L72 PolarHBondContact O-N 3.4Å; K68-L72 VanDerWaalsContact O-N 3.09Å
69L92.1Very high91Very high15 Ų1584.1 Ų84.18%0.07942%0.424CS..Hα-helixtrans-60.1-40.9178.4-178.560.5000111.1I49 F53 I64 D65 L72 I73 L83I49-L69 HydrophobicContact CG2-CD2 4.31Å; F53-L69 HydrophobicContact CD1-CD1 3.8Å; F53-L69 HydrophobicContact CE1-CD1 4Å; F53-L69 HydrophobicContact CG-CD1 4.11Å; F53-L69 HydrophobicContact CZ-CD1 4.49Å; I64-L69 HydrophobicContact CG2-CB 4.16Å; I64-L69 HydrophobicContact CG2-CD2 3.66Å; D65-L69 WeakPolarHBondContact O-CB 3.49Å; D65-L69 PolarHBondContact O-N 3.48Å; L69-L72 PolarHBondContact O-N 2.87Å; L69-I73 HydrophobicContact CD1-CG2 4.24Å; L69-I73 WeakPolarHBondContact O-CG1 3.32Å; L69-I73 PolarHBondContact O-N 3.44Å; L69-L83 HydrophobicContact CD2-CD1 4.15Å; L69-L83 HydrophobicContact CD2-CD2 4.1Å; L69-L83 HydrophobicContact CG-CD2 4.32Å
70G89.1Confident90.9Very high12 Ų1286 Ų8612%0.12443%0.426CS..Hα-helixtrans-54.8-53.5173.400000112.2R66 Q67 K68 L72 I73 F74R66-G70 WeakPolarHBondContact O-CA 3.28Å; R66-G70 PolarHBondContact O-N 3.5Å; Q67-G70 PolarHBondContact O-N 3.08Å; K68-G70 VanDerWaalsContact C-N 3.26Å; K68-G70 PolarHBondContact O-N 3Å; G70-L72 VanDerWaalsContact C-N 3.28Å; G70-L72 PolarHBondContact O-N 3.02Å; G70-I73 VanDerWaalsContact O-CG1 3.24Å; G70-I73 WeakPolarHBondContact O-CG1 3.5Å; G70-I73 PolarHBondContact O-N 3.42Å; G70-F74 WeakPolarHBondContact O-CB 3.33Å; G70-F74 WeakPolarHBondContact O-CD2 3.37Å; G70-F74 PolarHBondContact O-N 2.98Å
71Q90Very high90.9Very high120 Ų12082.7 Ų82.756%0.56140%0.404SS*.Hα-helixtrans-55.7-43178.1-71.6171.2-1.300112.1Q67 K68 F74 A75Q67-Q71 WeakPolarHBondContact O-CG 3.31Å; Q67-Q71 PolarHBondContact O-N 3.16Å; K68-Q71 PolarHBondContact O-N 3.34Å; Q71-F74 PolarHBondContact O-N 3.43Å; Q71-A75 WeakPolarHBondContact O-CB 3.37Å; Q71-A75 PolarHBondContact O-N 3.4Å; Q71-A75 VanDerWaalsContact O-N 3.09Å
72L89.4Confident91.1Very high54 Ų5480.6 Ų80.628%0.28339%0.393SS..Hα-helixtrans-64-41.8179.1-68.2173.6000113.1I57 K68 L69 G70 S76 K79I57-L72 HydrophobicContact CG2-CD1 3.7Å; K68-L72 WeakPolarHBondContact O-CG 3.35Å; K68-L72 PolarHBondContact O-N 3.4Å; K68-L72 VanDerWaalsContact O-N 3.09Å; L69-L72 PolarHBondContact O-N 2.87Å; G70-L72 VanDerWaalsContact C-N 3.28Å; G70-L72 PolarHBondContact O-N 3.02Å; L72-S76 PolarHBondContact O-N 2.99Å; L72-K79 HydrophobicContact CB-CD 4.43Å
73I91Very high91.2Very high29 Ų2980.3 Ų80.315%0.14939%0.385CS..Hα-helixtrans-81.4-24.8-179.467.1177.7000112.9F53 L69 G70 S76 K79 R80 L83F53-I73 HydrophobicContact CE1-CG2 4.08Å; F53-I73 HydrophobicContact CZ-CG2 4.36Å; L69-I73 HydrophobicContact CD1-CG2 4.24Å; L69-I73 WeakPolarHBondContact O-CG1 3.32Å; L69-I73 PolarHBondContact O-N 3.44Å; G70-I73 VanDerWaalsContact O-CG1 3.24Å; G70-I73 WeakPolarHBondContact O-CG1 3.5Å; G70-I73 PolarHBondContact O-N 3.42Å; I73-S76 VanDerWaalsContact O-O 3.07Å; I73-K79 HydrophobicContact CG2-CB 4.37Å; I73-R80 HydrophobicContact CB-CB 4.13Å; I73-L83 HydrophobicContact CD1-CD2 3.64Å; I73-L83 HydrophobicContact CG2-CB 4.27Å; I73-L83 HydrophobicContact CG2-CD2 3.91Å
74F82.9Confident91.1Very high175 Ų17578.3 Ų78.377%0.76838%0.377SS*.Hα-helixtrans-72.1-34.1172.3-81.3-62.3000111.4G70 Q71 S76G70-F74 WeakPolarHBondContact O-CB 3.33Å; G70-F74 WeakPolarHBondContact O-CD2 3.37Å; G70-F74 PolarHBondContact O-N 2.98Å; Q71-F74 PolarHBondContact O-N 3.43Å; F74-S76 VanDerWaalsContact C-N 3.35Å
75A88.1Confident91.2Very high91 Ų9180.9 Ų80.975%0.75240%0.397SS*.SBendtrans-77.1-16.1178.100000114.2Q71Q71-A75 WeakPolarHBondContact O-CB 3.37Å; Q71-A75 PolarHBondContact O-N 3.4Å; Q71-A75 VanDerWaalsContact O-N 3.09Å
76S92.4Very high91.2Very high34 Ų3480.1 Ų80.124%0.23839%0.393CS..  trans-143.9119-175.3170.90000112.4L72 I73 F74 D78 K79 R80L72-S76 PolarHBondContact O-N 2.99Å; I73-S76 VanDerWaalsContact O-O 3.07Å; F74-S76 VanDerWaalsContact C-N 3.35Å; S76-D78 VanDerWaalsContact C-N 3.32Å; S76-D78 PolarHBondContact O-N 3.48Å; S76-K79 PolarHBondContact O-N 3.33Å; S76-K79 PolarHBondContact OG-N 3.29Å; S76-R80 PolarHBondContact O-N 3.19Å
77E91.4Very high91.3Very high97 Ų9774.1 Ų74.145%0.45337%0.372SS..Hα-helixtrans-62-39.4176.1-176.9171.4-170.800112.3K79 R80 R81E77-K79 PolarHBondContact O-N 3.06Å; E77-R80 WeakPolarHBondContact O-CB 3.41Å; E77-R80 PolarHBondContact O-N 3.23Å; E77-R80 IonicContact OE1-NH2 3.38Å; E77-R81 VanDerWaalsContact CD-NH2 3.31Å; E77-R81 HydrophobicContact CG-CG 4.36Å; E77-R81 WeakPolarHBondContact O-CG 3.47Å; E77-R81 PolarHBondContact O-N 3.15Å; E77-R81 IonicContact OE1-CZ 3.26Å; E77-R81 VanDerWaalsContact OE1-CZ 3.26Å; E77-R81 IonicContact OE1-NE 3.13Å; E77-R81 PolarHBondContact OE1-NE 3.44Å; E77-R81 VanDerWaalsContact OE1-NE 3.13Å; E77-R81 IonicContact OE1-NH2 2.7Å; E77-R81 PolarHBondContact OE1-NH2 2.94Å; E77-R81 IonicContact OE2-NH2 3.79Å
78D94.2Very high91.4Very high117 Ų11769.4 Ų69.463%0.62635%0.35SS*.Hα-helixtrans-63.9-42.4178.9-66.3-32.7000111.7S76 R80 R81 L82S76-D78 VanDerWaalsContact C-N 3.32Å; S76-D78 PolarHBondContact O-N 3.48Å; D78-R80 VanDerWaalsContact C-N 3.34Å; D78-R80 PolarHBondContact O-N 2.91Å; D78-R81 PolarHBondContact O-N 3.46Å; D78-L82 WeakPolarHBondContact O-CB 3.34Å; D78-L82 PolarHBondContact O-N 2.94Å
79K93.4Very high91.4Very high89 Ų8968.2 Ų68.239%0.38735%0.351SS..Hα-helixtrans-61.7-42.7173.4-73.6-173.5-178.8-177.60111.4F53 L72 I73 S76 E77 L82 L83F53-K79 HydrophobicContact CE1-CB 3.94Å; F53-K79 HydrophobicContact CE1-CD 4.32Å; F53-K79 HydrophobicContact CE1-CG 4.19Å; F53-K79 HydrophobicContact CZ-CB 4.36Å; F53-K79 WeakPolarHBondContact CZ-O 3.31Å; L72-K79 HydrophobicContact CB-CD 4.43Å; I73-K79 HydrophobicContact CG2-CB 4.37Å; S76-K79 PolarHBondContact O-N 3.33Å; S76-K79 PolarHBondContact OG-N 3.29Å; E77-K79 PolarHBondContact O-N 3.06Å; K79-L82 PolarHBondContact O-N 2.9Å; K79-L83 PolarHBondContact O-N 2.99Å
80R92.1Very high91.5Very high113 Ų11369.3 Ų69.343%0.42636%0.356SS..Hα-helixtrans-61.6-43.7175.2-172.6178.163.2175.3-1.9112.1I73 S76 E77 D78 L83 N84I73-R80 HydrophobicContact CB-CB 4.13Å; S76-R80 PolarHBondContact O-N 3.19Å; E77-R80 WeakPolarHBondContact O-CB 3.41Å; E77-R80 PolarHBondContact O-N 3.23Å; E77-R80 IonicContact OE1-NH2 3.38Å; D78-R80 VanDerWaalsContact C-N 3.34Å; D78-R80 PolarHBondContact O-N 2.91Å; R80-L83 PolarHBondContact O-N 3.21Å; R80-N84 VanDerWaalsContact O-CB 3.28Å; R80-N84 WeakPolarHBondContact O-CB 3.39Å; R80-N84 PolarHBondContact O-N 2.88Å; R80-N84 PolarHBondContact O-ND2 3.27Å
81R90.6Very high91.7Very high145 Ų14569.9 Ų69.955%0.54736%0.356SS..Hα-helixtrans-63.2-41.7176.8-73175.2-177.3-176.82.1111.4E77 D78 N84 S85E77-R81 VanDerWaalsContact CD-NH2 3.31Å; E77-R81 HydrophobicContact CG-CG 4.36Å; E77-R81 WeakPolarHBondContact O-CG 3.47Å; E77-R81 PolarHBondContact O-N 3.15Å; E77-R81 IonicContact OE1-CZ 3.26Å; E77-R81 VanDerWaalsContact OE1-CZ 3.26Å; E77-R81 IonicContact OE1-NE 3.13Å; E77-R81 PolarHBondContact OE1-NE 3.44Å; E77-R81 VanDerWaalsContact OE1-NE 3.13Å; E77-R81 IonicContact OE1-NH2 2.7Å; E77-R81 PolarHBondContact OE1-NH2 2.94Å; E77-R81 IonicContact OE2-NH2 3.79Å; D78-R81 PolarHBondContact O-N 3.46Å; R81-N84 PolarHBondContact O-N 2.86Å; R81-S85 PolarHBondContact O-N 3.35Å
82L94Very high91.7Very high59 Ų5968.7 Ų68.731%0.30935%0.35SS..Hα-helixtrans-63.6-47.6176.1179.361.7000112.3H52 F53 D78 K79 N84 S85 I86H52-L82 HydrophobicContact CB-CD2 4.01Å; F53-L82 HydrophobicContact CE2-CD2 4.21Å; F53-L82 HydrophobicContact CE2-CG 4.31Å; F53-L82 HydrophobicContact CZ-CD2 4.4Å; D78-L82 WeakPolarHBondContact O-CB 3.34Å; D78-L82 PolarHBondContact O-N 2.94Å; K79-L82 PolarHBondContact O-N 2.9Å; L82-N84 VanDerWaalsContact C-N 3.27Å; L82-N84 PolarHBondContact O-N 3.34Å; L82-S85 PolarHBondContact O-N 3Å; L82-S85 PolarHBondContact O-OG 3.42Å; L82-I86 HydrophobicContact CD1-CD1 4.21Å; L82-I86 HydrophobicContact CG-CD1 4.21Å; L82-I86 WeakPolarHBondContact O-CG1 3.43Å; L82-I86 PolarHBondContact O-N 2.88Å; L82-I86 VanDerWaalsContact O-N 3.16Å
83L93.9Very high91.9Very high18 Ų1873 Ų739%0.09437%0.367CS..Hα-helixtrans-58.9-43.4176.5-179.864.5000111.1I49 F53 L69 I73 K79 R80 I86 T87I49-L83 HydrophobicContact CD1-CD1 3.7Å; I49-L83 HydrophobicContact CG1-CD1 3.75Å; I49-L83 HydrophobicContact CG2-CD1 4.3Å; F53-L83 HydrophobicContact CE2-CB 4.3Å; F53-L83 HydrophobicContact CE2-CD1 4.46Å; F53-L83 HydrophobicContact CZ-CB 4Å; L69-L83 HydrophobicContact CD2-CD1 4.15Å; L69-L83 HydrophobicContact CD2-CD2 4.1Å; L69-L83 HydrophobicContact CG-CD2 4.32Å; I73-L83 HydrophobicContact CD1-CD2 3.64Å; I73-L83 HydrophobicContact CG2-CB 4.27Å; I73-L83 HydrophobicContact CG2-CD2 3.91Å; K79-L83 PolarHBondContact O-N 2.99Å; R80-L83 PolarHBondContact O-N 3.21Å; L83-I86 PolarHBondContact O-N 3.24Å; L83-T87 HydrophobicContact CD1-CG2 3.99Å; L83-T87 HydrophobicContact CG-CG2 4.34Å; L83-T87 WeakPolarHBondContact O-CB 3.43Å; L83-T87 WeakPolarHBondContact O-CG2 3.28Å; L83-T87 PolarHBondContact O-N 2.85Å; L83-T87 PolarHBondContact O-OG1 2.98Å
84N91.8Very high92.2Very high54 Ų5472.9 Ų72.929%0.28937%0.371SS..Hα-helixtrans-64.5-38.2178.6-77.9-10.4000112.8R80 R81 L82 I86 T87 H88R80-N84 VanDerWaalsContact O-CB 3.28Å; R80-N84 WeakPolarHBondContact O-CB 3.39Å; R80-N84 PolarHBondContact O-N 2.88Å; R80-N84 PolarHBondContact O-ND2 3.27Å; R81-N84 PolarHBondContact O-N 2.86Å; L82-N84 VanDerWaalsContact C-N 3.27Å; L82-N84 PolarHBondContact O-N 3.34Å; N84-I86 VanDerWaalsContact C-N 3.29Å; N84-I86 PolarHBondContact O-N 3.37Å; N84-T87 PolarHBondContact O-N 3Å; N84-H88 VanDerWaalsContact CB-CE1 3.46Å; N84-H88 WeakPolarHBondContact CB-CE1 3.33Å; N84-H88 WeakPolarHBondContact O-CB 3.38Å; N84-H88 PolarHBondContact O-N 3.49Å; N84-H88 PolarHBondContact O-ND1 2.87Å
85S93.8Very high92.7Very high72 Ų7265.1 Ų65.150%0.50334%0.337SS..Hα-helixtrans-68.9-29.917873.50000112.4R81 L82 P89R81-S85 PolarHBondContact O-N 3.35Å; L82-S85 PolarHBondContact O-N 3Å; L82-S85 PolarHBondContact O-OG 3.42Å; S85-P89 WeakPolarHBondContact O-CD 3.33Å; S85-P89 WeakPolarHBondContact O-CG 3.34Å
86I93.9Very high93Very high8 Ų866.2 Ų66.24%0.04133%0.329CS..Hα-helixtrans-75.8-45174.5-63.2165000111.1A45 R48 I49 L82 L83 N84A45-I86 HydrophobicContact CB-CG2 4.28Å; R48-I86 HydrophobicContact CB-CD1 4.3Å; R48-I86 HydrophobicContact CB-CG1 4.43Å; R48-I86 HydrophobicContact CB-CG2 3.7Å; I49-I86 HydrophobicContact CG1-CD1 4.46Å; I49-I86 HydrophobicContact CG1-CG2 3.98Å; L82-I86 HydrophobicContact CD1-CD1 4.21Å; L82-I86 HydrophobicContact CG-CD1 4.21Å; L82-I86 WeakPolarHBondContact O-CG1 3.43Å; L82-I86 PolarHBondContact O-N 2.88Å; L82-I86 VanDerWaalsContact O-N 3.16Å; L83-I86 PolarHBondContact O-N 3.24Å; N84-I86 VanDerWaalsContact C-N 3.29Å; N84-I86 PolarHBondContact O-N 3.37Å
87T93Very high93.2Very high14 Ų1472.4 Ų72.49%0.08635%0.352CS..Hα-helixtrans-82.7-41.3-170.253.70000113.6V39 I49 L83 N84 E90 I91V39-T87 HydrophobicContact CG1-CG2 3.87Å; I49-T87 HydrophobicContact CD1-CG2 3.98Å; L83-T87 HydrophobicContact CD1-CG2 3.99Å; L83-T87 HydrophobicContact CG-CG2 4.34Å; L83-T87 WeakPolarHBondContact O-CB 3.43Å; L83-T87 WeakPolarHBondContact O-CG2 3.28Å; L83-T87 PolarHBondContact O-N 2.85Å; L83-T87 PolarHBondContact O-OG1 2.98Å; N84-T87 PolarHBondContact O-N 3Å; T87-E90 PolarHBondContact O-N 3.47Å; T87-E90 VanDerWaalsContact O-N 3.14Å; T87-I91 WeakPolarHBondContact O-CG1 3.46Å; T87-I91 PolarHBondContact O-N 3.14Å
88H91.2Very high93.5Very high48 Ų4870.9 Ų70.922%0.22235%0.345CS..Hα-helixtrans-57-44.3-173.8-66.4159000114.4N84 E90 I91 H92 R122N84-H88 VanDerWaalsContact CB-CE1 3.46Å; N84-H88 WeakPolarHBondContact CB-CE1 3.33Å; N84-H88 WeakPolarHBondContact O-CB 3.38Å; N84-H88 PolarHBondContact O-N 3.49Å; N84-H88 PolarHBondContact O-ND1 2.87Å; H88-E90 VanDerWaalsContact C-N 3.31Å; H88-E90 PolarHBondContact O-N 3.5Å; H88-I91 PolarHBondContact O-N 2.97Å; H88-H92 WeakPolarHBondContact O-CB 3.24Å; H88-H92 PolarHBondContact O-CD2 2.9Å; H88-H92 VanDerWaalsContact O-CG 3.23Å; H88-H92 PolarHBondContact O-N 3.38Å; H88-R122 PolarHBondContact CE1-NH1 3.27Å; H88-R122 PolarHBondContact CE1-NH2 3.27Å; H88-R122 VanDerWaalsContact CE1-NH2 3.29Å; H88-R122 PolarHBondContact ND1-NH1 2.86Å; H88-R122 VanDerWaalsContact ND1-NH1 3.19Å; H88-R122 PolarHBondContact NE2-NH1 3.22Å
89P91.4Very high93.6Very high68 Ų6866.8 Ų66.844%0.44232%0.322SS..Hα-helixtrans-60.5-40.7178.2-23.735.4000112.6S85 H92 K93S85-P89 WeakPolarHBondContact O-CD 3.33Å; S85-P89 WeakPolarHBondContact O-CG 3.34Å; P89-H92 PolarHBondContact O-N 3.46Å; P89-K93 WeakPolarHBondContact O-CB 3.41Å; P89-K93 PolarHBondContact O-N 2.98Å
90E93.9Very high93.7Very high38 Ų3867 Ų6718%0.17833%0.328CS..Hα-helixtrans-70.1-39.4179.4-59.2-55.3144.900111.6V38 A45 R48 T87 H88 K93 A94V38-E90 HydrophobicContact CB-CB 4.06Å; V38-E90 HydrophobicContact CG1-CB 4.33Å; V38-E90 HydrophobicContact CG2-CB 4.48Å; A45-E90 HydrophobicContact CB-CB 4.35Å; A45-E90 HydrophobicContact CB-CG 3.93Å; R48-E90 IonicContact CZ-OE1 3.73Å; R48-E90 IonicContact NH2-OE1 2.67Å; R48-E90 PolarHBondContact NH2-OE1 3.07Å; T87-E90 PolarHBondContact O-N 3.47Å; T87-E90 VanDerWaalsContact O-N 3.14Å; H88-E90 VanDerWaalsContact C-N 3.31Å; H88-E90 PolarHBondContact O-N 3.5Å; E90-K93 PolarHBondContact O-N 3.4Å; E90-A94 WeakPolarHBondContact O-CB 3.44Å; E90-A94 PolarHBondContact O-N 3.34Å
91I92.6Very high93.9Very high25 Ų2566.7 Ų66.713%0.12833%0.329CS..Hα-helixtrans-59.7-50.9173.6-65.5170.3000110.1V34 A35 V38 T87 H88 K93 A94 M95V34-I91 HydrophobicContact CG1-CG2 4.18Å; A35-I91 HydrophobicContact CB-CD1 3.81Å; A35-I91 HydrophobicContact CB-CG1 4.32Å; V38-I91 HydrophobicContact CG2-CG1 3.63Å; T87-I91 WeakPolarHBondContact O-CG1 3.46Å; T87-I91 PolarHBondContact O-N 3.14Å; H88-I91 PolarHBondContact O-N 2.97Å; I91-K93 VanDerWaalsContact C-N 3.32Å; I91-K93 PolarHBondContact O-N 3.19Å; I91-A94 PolarHBondContact O-N 3.48Å; I91-M95 HydrophobicContact CG2-CG 4.31Å; I91-M95 HydrophobicContact CG2-SD 4.01Å; I91-M95 WeakPolarHBondContact O-CG 2.92Å; I91-M95 PolarHBondContact O-N 3.4Å
92H91.6Very high94.2Very high94 Ų9461.3 Ų61.344%0.43531%0.31SS..Hα-helixtrans-60.2-43.5-179.6-67.7174.5000111.5H88 P89 M95 L96H88-H92 WeakPolarHBondContact O-CB 3.24Å; H88-H92 PolarHBondContact O-CD2 2.9Å; H88-H92 VanDerWaalsContact O-CG 3.23Å; H88-H92 PolarHBondContact O-N 3.38Å; P89-H92 PolarHBondContact O-N 3.46Å; H92-M95 PolarHBondContact O-N 3.45Å; H92-L96 VanDerWaalsContact O-CB 3.28Å; H92-L96 WeakPolarHBondContact O-CB 3.41Å; H92-L96 PolarHBondContact O-N 3.46Å
93K93.6Very high94.2Very high144 Ų14461.2 Ų61.263%0.62631%0.307SS*.Hα-helixtrans-61.3-45.1176.6-175.6-179.9178.8-177.70111.8P89 E90 I91 L96 K97P89-K93 WeakPolarHBondContact O-CB 3.41Å; P89-K93 PolarHBondContact O-N 2.98Å; E90-K93 PolarHBondContact O-N 3.4Å; I91-K93 VanDerWaalsContact C-N 3.32Å; I91-K93 PolarHBondContact O-N 3.19Å; K93-L96 PolarHBondContact O-N 2.98Å; K93-K97 WeakPolarHBondContact O-CB 3.26Å; K93-K97 PolarHBondContact O-N 3.38Å
94A95.5Very high94.2Very high28 Ų2866.7 Ų66.723%0.23134%0.336CS..Hα-helixtrans-66.8-41.3179.500000112.5V34 V38 E90 I91 K97 Q98V34-A94 HydrophobicContact CG1-CB 3.64Å; V38-A94 HydrophobicContact CG1-CB 3.68Å; E90-A94 WeakPolarHBondContact O-CB 3.44Å; E90-A94 PolarHBondContact O-N 3.34Å; I91-A94 PolarHBondContact O-N 3.48Å; A94-K97 PolarHBondContact O-N 2.67Å; A94-Q98 PolarHBondContact O-N 3.31Å
95M94.9Very high94.3Very high11 Ų1172 Ų725%0.05435%0.352CS..Hα-helixtrans-63.6-47.2173.7-70.5-175.47400111.1I29 A31 V34 I91 H92 K97 Q98 I99 L112 L123I29-M95 HydrophobicContact CG2-CE 4.22Å; I29-M95 HydrophobicContact CG2-CG 4.22Å; A31-M95 HydrophobicContact CB-CE 4.48Å; A31-M95 HydrophobicContact CB-SD 4.48Å; V34-M95 HydrophobicContact CB-CG 4.39Å; V34-M95 HydrophobicContact CG1-CG 3.97Å; V34-M95 HydrophobicContact CG2-CG 4.36Å; I91-M95 HydrophobicContact CG2-CG 4.31Å; I91-M95 HydrophobicContact CG2-SD 4.01Å; I91-M95 WeakPolarHBondContact O-CG 2.92Å; I91-M95 PolarHBondContact O-N 3.4Å; H92-M95 PolarHBondContact O-N 3.45Å; M95-K97 VanDerWaalsContact C-N 3.29Å; M95-K97 PolarHBondContact O-N 3.44Å; M95-Q98 PolarHBondContact O-N 3.1Å; M95-Q98 VanDerWaalsContact O-N 3.1Å; M95-I99 WeakPolarHBondContact O-CG1 3.34Å; M95-I99 PolarHBondContact O-N 2.88Å; M95-L112 HydrophobicContact CE-CD1 4.21Å; M95-L112 HydrophobicContact CE-CD2 4.17Å; M95-L123 HydrophobicContact CE-CD1 4.21Å
96L94.8Very high94.3Very high114 Ų11470.4 Ų70.460%0.59735%0.347SS*.Hα-helixtrans-59.6-40.3178.8-178.161.8000111.8H92 K93 Q98 I99 L100H92-L96 VanDerWaalsContact O-CB 3.28Å; H92-L96 WeakPolarHBondContact O-CB 3.41Å; H92-L96 PolarHBondContact O-N 3.46Å; K93-L96 PolarHBondContact O-N 2.98Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 2.9Å; L96-I99 PolarHBondContact O-N 3.47Å; L96-L100 WeakPolarHBondContact O-CB 3.37Å; L96-L100 PolarHBondContact O-N 3.47Å
97K96.3Very high94.3Very high165 Ų16574 Ų7472%0.71736%0.36SS*.Hα-helixtrans-59.7-42.6175.4-171.8179.6-179.4-177.40111.8K93 A94 M95 F101K93-K97 WeakPolarHBondContact O-CB 3.26Å; K93-K97 PolarHBondContact O-N 3.38Å; A94-K97 PolarHBondContact O-N 2.67Å; M95-K97 VanDerWaalsContact C-N 3.29Å; M95-K97 PolarHBondContact O-N 3.44Å; K97-F101 WeakPolarHBondContact O-CB 3.19Å; K97-F101 PolarHBondContact O-N 3.15Å
98Q97.4Very high94.4Very high64 Ų6476.7 Ų76.730%0.29937%0.369SS..Hα-helixtrans-69.6-41.4177.1-71179.458.500112.3I29 A94 M95 L96 L100 F101 F102I29-Q98 HydrophobicContact CD1-CB 3.61Å; I29-Q98 HydrophobicContact CG1-CB 3.96Å; A94-Q98 PolarHBondContact O-N 3.31Å; M95-Q98 PolarHBondContact O-N 3.1Å; M95-Q98 VanDerWaalsContact O-N 3.1Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 2.9Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 3.01Å; Q98-F101 WeakPolarHBondContact O-CB 3.41Å; Q98-F101 PolarHBondContact O-N 3.33Å; Q98-F102 WeakPolarHBondContact O-CD2 3.43Å; Q98-F102 PolarHBondContact O-N 3.23Å
99I96.1Very high94.7Very high31 Ų3174.4 Ų74.416%0.15936%0.358CS..Hα-helixtrans-57.3-48.6174.3-68.7169.6000109.8M1 L3 I29 M95 L96 F101 F102 F103 V110 L112M1-I99 HydrophobicContact CE-CB 4.49Å; M1-I99 HydrophobicContact CE-CG2 3.65Å; M1-I99 WeakPolarHBondContact CE-O 3.3Å; L3-I99 HydrophobicContact CD1-CD1 4.37Å; L3-I99 HydrophobicContact CD2-CD1 4.28Å; L3-I99 HydrophobicContact CD2-CG1 4.39Å; L3-I99 HydrophobicContact CD2-CG2 3.99Å; I29-I99 HydrophobicContact CD1-CB 4.37Å; I29-I99 HydrophobicContact CD1-CG1 3.47Å; I29-I99 VanDerWaalsContact CD1-CG1 3.47Å; M95-I99 WeakPolarHBondContact O-CG1 3.34Å; M95-I99 PolarHBondContact O-N 2.88Å; L96-I99 PolarHBondContact O-N 3.47Å; I99-F101 VanDerWaalsContact C-N 3.34Å; I99-F101 PolarHBondContact O-N 3.01Å; I99-F102 PolarHBondContact O-N 2.97Å; I99-F103 WeakPolarHBondContact O-CB 3.23Å; I99-F103 PolarHBondContact O-N 2.89Å; I99-V110 HydrophobicContact CG1-CG1 4.48Å; I99-L112 HydrophobicContact CD1-CD1 4.47Å; I99-L112 HydrophobicContact CD1-CD2 4.16Å; I99-L112 HydrophobicContact CG1-CD2 4.23Å
100L95.1Very high95Very high95 Ų9571.2 Ų71.250%0.49734%0.337SS..Hα-helixtrans-63.5-40.7179-17761.5000111.8L96 Q98 F102 F103 L104L96-L100 WeakPolarHBondContact O-CB 3.37Å; L96-L100 PolarHBondContact O-N 3.47Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 3.01Å; L100-F102 PolarHBondContact O-N 2.87Å; L100-F103 HydrophobicContact CD1-CD1 4.33Å; L100-F103 WeakPolarHBondContact O-CB 3.25Å; L100-F103 PolarHBondContact O-N 3.39Å; L100-L104 HydrophobicContact CD1-CD1 4.38Å; L100-L104 HydrophobicContact CD1-CG 4.24Å; L100-L104 HydrophobicContact CG-CD1 4.13Å; L100-L104 HydrophobicContact CG-CG 4.43Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.25Å; L100-L104 PolarHBondContact O-N 2.9Å
101F97Very high95.2Very high105 Ų10569.5 Ų69.546%0.46133%0.329SS..Hα-helixtrans-56.9-48.5175.2173.3-97.4000111.9K97 Q98 I99 L104 R105K97-F101 WeakPolarHBondContact O-CB 3.19Å; K97-F101 PolarHBondContact O-N 3.15Å; Q98-F101 WeakPolarHBondContact O-CB 3.41Å; Q98-F101 PolarHBondContact O-N 3.33Å; I99-F101 VanDerWaalsContact C-N 3.34Å; I99-F101 PolarHBondContact O-N 3.01Å; F101-L104 PolarHBondContact O-N 2.81Å; F101-R105 VanDerWaalsContact CZ-NH1 3.28Å; F101-R105 WeakPolarHBondContact O-CG 3.48Å; F101-R105 PolarHBondContact O-N 3.21Å; F101-R105 VanDerWaalsContact O-N 3.16Å
102F96.9Very high95.4Very high33 Ų3368.5 Ų68.515%0.14532%0.324CS..Hα-helixtrans-69.3-34.9177.6-67-58.6000112.8M1 P27 I29 Q98 I99 L100 L104 R105 G106 Y107 V110M1-F102 HydrophobicContact CE-CB 4.38Å; M1-F102 HydrophobicContact SD-CB 3.88Å; P27-F102 HydrophobicContact CB-CB 4.46Å; P27-F102 HydrophobicContact CB-CD1 3.48Å; P27-F102 VanDerWaalsContact CB-CD1 3.48Å; P27-F102 HydrophobicContact CB-CD2 3.88Å; P27-F102 HydrophobicContact CB-CE1 3.5Å; P27-F102 HydrophobicContact CB-CE2 3.9Å; P27-F102 HydrophobicContact CB-CG 3.69Å; P27-F102 HydrophobicContact CB-CZ 3.72Å; P27-F102 HydrophobicContact CG-CD1 4.27Å; P27-F102 HydrophobicContact CG-CG 4.29Å; I29-F102 HydrophobicContact CD1-CD2 4.2Å; I29-F102 HydrophobicContact CD1-CE2 4.34Å; I29-F102 HydrophobicContact CG1-CD2 4.29Å; I29-F102 HydrophobicContact CG1-CE2 3.96Å; Q98-F102 WeakPolarHBondContact O-CD2 3.43Å; Q98-F102 PolarHBondContact O-N 3.23Å; I99-F102 PolarHBondContact O-N 2.97Å; L100-F102 PolarHBondContact O-N 2.87Å; F102-L104 VanDerWaalsContact C-N 3.35Å; F102-L104 PolarHBondContact O-N 2.88Å; F102-R105 PolarHBondContact O-N 3.32Å; F102-G106 PolarHBondContact O-N 2.57Å; F102-Y107 HydrophobicContact CB-CD2 4.02Å; F102-Y107 HydrophobicContact CB-CG 4.43Å; F102-Y107 AromaticContact CD1-CD2 3.81Å; F102-Y107 HydrophobicContact CD1-CD2 3.81Å; F102-Y107 AromaticContact CD1-CE2 3.7Å; F102-Y107 HydrophobicContact CD1-CE2 3.7Å; F102-Y107 HydrophobicContact CE1-CE2 4.39Å; F102-Y107 HydrophobicContact CG-CD2 4.39Å; F102-Y107 WeakPolarHBondContact O-CD2 3.26Å; F102-Y107 PolarHBondContact O-N 3.34Å; F102-V110 HydrophobicContact CD2-CG2 3.89Å; F102-V110 HydrophobicContact CE2-CG2 4.42Å
103F94.2Very high95.6Very high57 Ų5764.1 Ų64.125%0.2530%0.304CS..Hα-helixtrans-57.5-48.4173.1177.7-96.4000111.5M1 I99 L100 R105 G106 A209M1-F103 HydrophobicContact CB-CD2 3.74Å; M1-F103 HydrophobicContact CE-CB 4.02Å; M1-F103 HydrophobicContact SD-CB 4.48Å; I99-F103 WeakPolarHBondContact O-CB 3.23Å; I99-F103 PolarHBondContact O-N 2.89Å; L100-F103 HydrophobicContact CD1-CD1 4.33Å; L100-F103 WeakPolarHBondContact O-CB 3.25Å; L100-F103 PolarHBondContact O-N 3.39Å; F103-R105 VanDerWaalsContact C-N 3.29Å; F103-R105 PolarHBondContact O-N 2.76Å; F103-G106 PolarHBondContact O-N 3.26Å; F103-G106 VanDerWaalsContact O-N 3.08Å; F103-A209 HydrophobicContact CE1-CB 4.35Å; F103-A209 HydrophobicContact CZ-CB 3.8Å
104L93.1Very high95.6Very high132 Ų13257.9 Ų57.969%0.69128%0.278SS*.Hα-helixtrans-66.9-28.1-179.9-68.3173.5000113L100 F101 F102 G106L100-L104 HydrophobicContact CD1-CD1 4.38Å; L100-L104 HydrophobicContact CD1-CG 4.24Å; L100-L104 HydrophobicContact CG-CD1 4.13Å; L100-L104 HydrophobicContact CG-CG 4.43Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.25Å; L100-L104 PolarHBondContact O-N 2.9Å; F101-L104 PolarHBondContact O-N 2.81Å; F102-L104 VanDerWaalsContact C-N 3.35Å; F102-L104 PolarHBondContact O-N 2.88Å; L104-G106 PolarHBondContact O-N 3.14Å
105R95Very high95Very high167 Ų16757.9 Ų57.963%0.6328%0.276SS*.THydrogen-bonded Turntrans-78.51.2173.5-66.6-167.892.8122.94114F101 F102 F103 Y107F101-R105 VanDerWaalsContact CZ-NH1 3.28Å; F101-R105 WeakPolarHBondContact O-CG 3.48Å; F101-R105 PolarHBondContact O-N 3.21Å; F101-R105 VanDerWaalsContact O-N 3.16Å; F102-R105 PolarHBondContact O-N 3.32Å; F103-R105 VanDerWaalsContact C-N 3.29Å; F103-R105 PolarHBondContact O-N 2.76Å; R105-Y107 HydrophobicContact CB-CD2 3.81Å; R105-Y107 HydrophobicContact CB-CE2 3.79Å
106G92.4Very high94.6Very high38 Ų3861 Ų6139%0.39229%0.293SS..THydrogen-bonded Turntrans82.615.3173.900000114.7F102 F103 L104 R206F102-G106 PolarHBondContact O-N 2.57Å; F103-G106 PolarHBondContact O-N 3.26Å; F103-G106 VanDerWaalsContact O-N 3.08Å; L104-G106 PolarHBondContact O-N 3.14Å; G106-R206 PolarHBondContact O-NH2 3.39Å
107Y95.1Very high94.3Very high83 Ų8355.7 Ų55.733%0.32526%0.264SS..  trans-62142.7173.6-73.9-90.3000111.1M1 P27 F102 R105M1-Y107 WeakPolarHBondContact CB-O 3.47Å; M1-Y107 WeakPolarHBondContact CG-O 3.34Å; P27-Y107 HydrophobicContact CB-CD1 4.28Å; P27-Y107 HydrophobicContact CB-CE1 4.28Å; P27-Y107 VanDerWaalsContact CD-CD1 3.46Å; P27-Y107 HydrophobicContact CG-CD1 3.46Å; P27-Y107 VanDerWaalsContact CG-CD1 3.46Å; P27-Y107 HydrophobicContact CG-CE1 3.89Å; P27-Y107 HydrophobicContact CG-CG 3.79Å; F102-Y107 HydrophobicContact CB-CD2 4.02Å; F102-Y107 HydrophobicContact CB-CG 4.43Å; F102-Y107 AromaticContact CD1-CD2 3.81Å; F102-Y107 HydrophobicContact CD1-CD2 3.81Å; F102-Y107 AromaticContact CD1-CE2 3.7Å; F102-Y107 HydrophobicContact CD1-CE2 3.7Å; F102-Y107 HydrophobicContact CE1-CE2 4.39Å; F102-Y107 HydrophobicContact CG-CD2 4.39Å; F102-Y107 WeakPolarHBondContact O-CD2 3.26Å; F102-Y107 PolarHBondContact O-N 3.34Å; R105-Y107 HydrophobicContact CB-CD2 3.81Å; R105-Y107 HydrophobicContact CB-CE2 3.79Å
108R94.9Very high94Very high70 Ų7048.4 Ų48.426%0.26423%0.233SC..SBendtrans-78-38.4179.2-63179.483145.8-9.2111.3M1 F2 E197 S199 F202M1-R108 CarbonylContact C-O 3.45Å; M1-R108 WeakPolarHBondContact CA-O 3.15Å; M1-R108 WeakPolarHBondContact CG-O 3.25Å; F2-R108 WeakPolarHBondContact CD1-O 3.28Å; F2-R108 PolarHBondContact N-O 3.36Å; R108-E197 WeakPolarHBondContact CD-OE2 3.4Å; R108-E197 PolarHBondContact NE-O 3.35Å; R108-E197 PolarHBondContact NH1-O 3.32Å; R108-E197 PolarHBondContact NH2-O 3.5Å; R108-S199 PolarHBondContact NH2-O 3.49Å; R108-F202 HydrophobicContact CB-CD1 4.34Å; R108-F202 HydrophobicContact CB-CG 4.34Å; R108-F202 HydrophobicContact CG-CD1 4.41Å; R108-F202 HydrophobicContact CG-CG 4.47Å; R108-F202 VanDerWaalsContact NE-CE1 3.3Å; R108-F202 WeakPolarHBondContact O-CB 3.45Å
109Y96.9Very high93.5Very high1 Ų148.2 Ų48.20%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-145.3165.2174.372.8-84.3000112F2 V4 C26 P27 V111 H193 L196 E197F2-Y109 AromaticContact CE2-CG 3.94Å; F2-Y109 HydrophobicContact CE2-CG 3.94Å; F2-Y109 HydrophobicContact CZ-CD1 4.18Å; F2-Y109 HydrophobicContact CZ-CG 4.02Å; F2-Y109 VanDerWaalsContact O-CA 3.24Å; F2-Y109 WeakPolarHBondContact O-CA 3.42Å; F2-Y109 WeakPolarHBondContact O-CB 3.5Å; V4-Y109 HydrophobicContact CB-CD2 4.4Å; V4-Y109 HydrophobicContact CG2-CD2 3.71Å; V4-Y109 HydrophobicContact CG2-CE2 4.46Å; V4-Y109 HydrophobicContact CG2-CG 4.3Å; C26-Y109 WeakPolarHBondContact SG-CE2 3.4Å; C26-Y109 VanDerWaalsContact SG-CZ 3.54Å; C26-Y109 PolarHBondContact SG-OH 2.88Å; P27-Y109 VanDerWaalsContact CG-O 3.24Å; P27-Y109 WeakPolarHBondContact CG-O 3.36Å; Y109-V111 HydrophobicContact CD2-CG2 4.16Å; Y109-V111 HydrophobicContact CE2-CG2 3.79Å; Y109-H193 AromaticContact CZ-ND1 3.91Å; Y109-H193 PolarHBondContact OH-ND1 3.41Å; Y109-L196 HydrophobicContact CD1-CB 4.12Å; Y109-L196 HydrophobicContact CD2-CD1 4.44Å; Y109-L196 HydrophobicContact CE1-CB 3.81Å; Y109-L196 HydrophobicContact CE2-CB 4.35Å; Y109-L196 HydrophobicContact CE2-CD1 3.9Å; Y109-E197 HydrophobicContact CE1-CG 4.1Å; Y109-E197 WeakPolarHBondContact CE1-OE1 3.45Å
110V97.6Very high92.8Very high0 Ų049.8 Ų49.80%024%0.243CC..EExtended strand (participates in β ladder)trans-133.8141.7171.664.40000109.8M1 F2 L3 V4 P27 I29 I99 F102 L112M1-V110 HydrophobicContact CE-CB 4.08Å; M1-V110 HydrophobicContact CE-CG1 3.49Å; M1-V110 VanDerWaalsContact CE-CG1 3.49Å; M1-V110 HydrophobicContact SD-CB 3.91Å; M1-V110 HydrophobicContact SD-CG1 3.95Å; F2-V110 PolarHBondContact O-N 3.35Å; F2-V110 VanDerWaalsContact O-N 3.16Å; L3-V110 HydrophobicContact CD2-CG1 3.37Å; V4-V110 PolarHBondContact N-O 2.86Å; P27-V110 HydrophobicContact CB-CG2 4.08Å; P27-V110 HydrophobicContact CG-CB 4.1Å; P27-V110 HydrophobicContact CG-CG2 4.08Å; P27-V110 WeakPolarHBondContact O-CG2 3.48Å; I29-V110 HydrophobicContact CD1-CG2 3.71Å; I29-V110 HydrophobicContact CG1-CG2 3.83Å; I99-V110 HydrophobicContact CG1-CG1 4.48Å; F102-V110 HydrophobicContact CD2-CG2 3.89Å; F102-V110 HydrophobicContact CE2-CG2 4.42Å; V110-L112 HydrophobicContact CG1-CD2 4.49Å
111V98Very high92.3Very high2 Ų253.5 Ų53.51%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-94.3123178.1178.10000109.5V4 L6 L21 C26 P27 I28 I29 Y109V4-V111 HydrophobicContact CB-CG2 4.25Å; V4-V111 HydrophobicContact CG1-CG2 4.48Å; V4-V111 CarbonylContact O-C 3.55Å; V4-V111 VanDerWaalsContact O-CA 3.27Å; V4-V111 WeakPolarHBondContact O-CA 3.47Å; L6-V111 HydrophobicContact CB-CG1 3.46Å; L6-V111 VanDerWaalsContact CB-CG1 3.46Å; L6-V111 HydrophobicContact CD2-CG1 4.22Å; L6-V111 HydrophobicContact CG-CG1 4.46Å; L21-V111 HydrophobicContact CD1-CG2 4.4Å; C26-V111 WeakPolarHBondContact SG-CG2 3.26Å; P27-V111 PolarHBondContact O-N 3.1Å; I28-V111 CarbonylContact C-O 3.55Å; I28-V111 WeakPolarHBondContact CA-O 3.49Å; I28-V111 HydrophobicContact CG1-CB 4.14Å; I28-V111 HydrophobicContact CG2-CB 4.44Å; I28-V111 HydrophobicContact CG2-CG1 4.39Å; I29-V111 PolarHBondContact N-O 3.37Å; Y109-V111 HydrophobicContact CD2-CG2 4.16Å; Y109-V111 HydrophobicContact CE2-CG2 3.79Å
112L97.4Very high91.7Very high4 Ų454.3 Ų54.32%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-93.2106.4168.9-53.2-170.2000107.9L3 V4 G5 L6 I29 M95 I99 V110 V114 L127L3-L112 HydrophobicContact CD1-CD1 4.37Å; V4-L112 PolarHBondContact O-N 2.82Å; G5-L112 WeakPolarHBondContact CA-O 3.2Å; L6-L112 PolarHBondContact N-O 3.05Å; I29-L112 HydrophobicContact CB-CD2 3.89Å; I29-L112 HydrophobicContact CD1-CD2 3.86Å; I29-L112 HydrophobicContact CG1-CD2 4.34Å; I29-L112 HydrophobicContact CG2-CD2 4.42Å; M95-L112 HydrophobicContact CE-CD1 4.21Å; M95-L112 HydrophobicContact CE-CD2 4.17Å; I99-L112 HydrophobicContact CD1-CD1 4.47Å; I99-L112 HydrophobicContact CD1-CD2 4.16Å; I99-L112 HydrophobicContact CG1-CD2 4.23Å; V110-L112 HydrophobicContact CG1-CD2 4.49Å; L112-V114 HydrophobicContact CB-CG2 4.14Å; L112-V114 PolarHBondContact O-N 3.45Å; L112-L127 HydrophobicContact CD1-CD2 3.95Å; L112-L127 HydrophobicContact CG-CD2 4.4Å
113D95.9Very high91.1Very high2 Ų254.5 Ų54.51%0.01125%0.253CS..EExtended strand (participates in β ladder)trans-84.4106.2178.5-169.9-11.8000109.5K14 S18 I28 I29 A31K14-D113 VanDerWaalsContact CD-OD1 3.23Å; K14-D113 WeakPolarHBondContact CD-OD1 3.46Å; K14-D113 VanDerWaalsContact CE-OD1 3.3Å; K14-D113 WeakPolarHBondContact CE-OD1 3.42Å; K14-D113 VanDerWaalsContact NZ-CG 3.28Å; K14-D113 IonicContact NZ-OD1 2.61Å; K14-D113 PolarHBondContact NZ-OD1 3.37Å; K14-D113 IonicContact NZ-OD2 3.56Å; K14-D113 PolarHBondContact NZ-OD2 2.89Å; S18-D113 WeakPolarHBondContact CB-OD2 3.5Å; S18-D113 PolarHBondContact OG-OD2 3.42Å; I28-D113 HydrophobicContact CG2-CB 3.86Å; I29-D113 PolarHBondContact O-N 2.87Å; A31-D113 WeakPolarHBondContact CB-O 3.31Å; A31-D113 PolarHBondContact N-O 3.07Å
114V92.5Very high90.8Very high13 Ų1353.8 Ų53.88%0.07925%0.253CS..  trans-136.3104.4-169.8-172.60000110.1L6 T7 A31 L112 L116 L117 L123L6-V114 PolarHBondContact O-N 2.86Å; T7-V114 VanDerWaalsContact CB-O 3.26Å; T7-V114 WeakPolarHBondContact CB-O 3.07Å; T7-V114 PolarHBondContact OG1-O 3.28Å; A31-V114 HydrophobicContact CB-CG2 4.02Å; L112-V114 HydrophobicContact CB-CG2 4.14Å; L112-V114 PolarHBondContact O-N 3.45Å; V114-L116 PolarHBondContact O-N 3.4Å; V114-L117 HydrophobicContact CB-CB 4.17Å; V114-L117 HydrophobicContact CB-CD1 4.26Å; V114-L117 HydrophobicContact CG1-CB 4.18Å; V114-L117 HydrophobicContact CG1-CD1 4.34Å; V114-L117 WeakPolarHBondContact O-CB 3.49Å; V114-L117 PolarHBondContact O-N 3.22Å; V114-L123 HydrophobicContact CG2-CD1 3.92Å
115P84.1Confident90.6Very high28 Ų2857 Ų5718%0.18226%0.256CS..THydrogen-bonded Turntrans-60.1-37.7-177.5-24.532.2000115T7 K168T7-P115 PolarHBondContact OG1-O 3.41Å; P115-K168 PolarHBondContact O-NZ 3.08Å
116L84.8Confident90.4Very high78 Ų7854.1 Ų54.141%0.40825%0.248SC..THydrogen-bonded Turntrans-106.139.5-176.3-59.9179.6000112.5V114 F118 E119 T120V114-L116 PolarHBondContact O-N 3.4Å; L116-F118 PolarHBondContact O-N 2.95Å; L116-E119 VanDerWaalsContact CA-OE2 3.24Å; L116-E119 WeakPolarHBondContact CA-OE2 3.42Å; L116-E119 HydrophobicContact CB-CB 4.37Å; L116-E119 HydrophobicContact CD2-CG 4.39Å; L116-T120 HydrophobicContact CB-CG2 4.21Å; L116-T120 WeakPolarHBondContact O-CG2 3.31Å; L116-T120 PolarHBondContact O-N 3.28Å; L116-T120 PolarHBondContact O-OG1 3.46Å
117L89.1Confident90.4Very high1 Ų153.4 Ų53.41%0.00524%0.235CC..Hα-helixtrans-60.1-47.7-171-179.759.6000112.6T7 V114 R121 L123 T124 L127 T130T7-L117 HydrophobicContact CG2-CB 4.18Å; T7-L117 HydrophobicContact CG2-CD2 4.19Å; V114-L117 HydrophobicContact CB-CB 4.17Å; V114-L117 HydrophobicContact CB-CD1 4.26Å; V114-L117 HydrophobicContact CG1-CB 4.18Å; V114-L117 HydrophobicContact CG1-CD1 4.34Å; V114-L117 WeakPolarHBondContact O-CB 3.49Å; V114-L117 PolarHBondContact O-N 3.22Å; L117-R121 PolarHBondContact O-N 2.94Å; L117-L123 HydrophobicContact CD1-CB 3.96Å; L117-T124 HydrophobicContact CD1-CG2 4.28Å; L117-T124 HydrophobicContact CG-CG2 4.22Å; L117-L127 HydrophobicContact CD1-CD1 3.67Å; L117-L127 HydrophobicContact CD2-CD1 3.72Å; L117-L127 HydrophobicContact CG-CD1 4.21Å; L117-T130 HydrophobicContact CD2-CG2 4.14Å
118F90.4Very high90.4Very high13 Ų1352.9 Ų52.96%0.05724%0.238CC..Hα-helixtrans-85-27.8-175.7-68.3-56.9000113.1T7 L116 R121 T124 T130 V132 M163 K168 L171 A172T7-F118 HydrophobicContact CG2-CD2 3.93Å; T7-F118 HydrophobicContact CG2-CE2 3.74Å; L116-F118 PolarHBondContact O-N 2.95Å; F118-R121 WeakPolarHBondContact O-CG 3.45Å; F118-T124 HydrophobicContact CD1-CG2 3.88Å; F118-T124 HydrophobicContact CE1-CG2 4.23Å; F118-T130 HydrophobicContact CE1-CG2 4.11Å; F118-T130 HydrophobicContact CZ-CG2 4.08Å; F118-V132 HydrophobicContact CD2-CG2 4.48Å; F118-V132 HydrophobicContact CE2-CG2 3.64Å; F118-M163 HydrophobicContact CB-CE 4.44Å; F118-M163 HydrophobicContact CB-SD 3.87Å; F118-K168 HydrophobicContact CD2-CB 4.02Å; F118-K168 HydrophobicContact CD2-CD 4.48Å; F118-K168 HydrophobicContact CD2-CG 4.05Å; F118-K168 HydrophobicContact CE2-CB 4.35Å; F118-L171 HydrophobicContact CB-CD1 4.08Å; F118-L171 HydrophobicContact CD1-CB 4.05Å; F118-L171 HydrophobicContact CD1-CD1 4.11Å; F118-L171 HydrophobicContact CD2-CB 4.37Å; F118-L171 HydrophobicContact CD2-CD1 4.46Å; F118-L171 HydrophobicContact CE1-CB 3.8Å; F118-L171 HydrophobicContact CE2-CB 4.11Å; F118-L171 HydrophobicContact CG-CB 4.33Å; F118-L171 HydrophobicContact CG-CD1 3.99Å; F118-L171 HydrophobicContact CZ-CB 3.83Å; F118-A172 HydrophobicContact CE2-CB 4.45Å; F118-A172 HydrophobicContact CZ-CB 4.31Å
119E86.4Confident90.5Very high59 Ų5950.8 Ų50.828%0.27623%0.232SC..Hα-helixtrans-66.6-41.7176.9-64.391.6148.500111.1L116 M163 K168L116-E119 VanDerWaalsContact CA-OE2 3.24Å; L116-E119 WeakPolarHBondContact CA-OE2 3.42Å; L116-E119 HydrophobicContact CB-CB 4.37Å; L116-E119 HydrophobicContact CD2-CG 4.39Å; E119-M163 HydrophobicContact CG-CB 3.81Å; E119-M163 PolarHBondContact OE1-N 3.3Å; E119-K168 WeakPolarHBondContact OE1-CE 3.42Å; E119-K168 IonicContact OE1-NZ 2.57Å; E119-K168 PolarHBondContact OE1-NZ 2.86Å; E119-K168 IonicContact OE2-NZ 3.32Å; E119-K168 PolarHBondContact OE2-NZ 3.33Å
120T82.7Confident90.5Very high65 Ų6551.3 Ų51.340%0.39924%0.235SC..Hα-helixtrans-85.1-26.5-178.562.30000113L116 R122L116-T120 HydrophobicContact CB-CG2 4.21Å; L116-T120 WeakPolarHBondContact O-CG2 3.31Å; L116-T120 PolarHBondContact O-N 3.28Å; L116-T120 PolarHBondContact O-OG1 3.46Å; T120-R122 WeakPolarHBondContact O-CG 3.43Å; T120-R122 PolarHBondContact O-N 2.91Å
121R84.8Confident90.5Very high173 Ų17351.5 Ų51.565%0.65324%0.236SC*.  trans52.110.2-176.2-56.2-172.8178.9-176.1-0.6115.4L117 F118 T124L117-R121 PolarHBondContact O-N 2.94Å; F118-R121 WeakPolarHBondContact O-CG 3.45Å; R121-T124 PolarHBondContact O-OG1 3.35Å; R121-T124 VanDerWaalsContact O-OG1 3.08Å
122R83.2Confident90.5Very high122 Ų12251.4 Ų51.446%0.4624%0.235SC..THydrogen-bonded Turntrans-72.2-38.3-173.7-70.3-173.4-178.11654.9112.3H88 T120 F126H88-R122 PolarHBondContact CE1-NH1 3.27Å; H88-R122 PolarHBondContact CE1-NH2 3.27Å; H88-R122 VanDerWaalsContact CE1-NH2 3.29Å; H88-R122 PolarHBondContact ND1-NH1 2.86Å; H88-R122 VanDerWaalsContact ND1-NH1 3.19Å; H88-R122 PolarHBondContact NE2-NH1 3.22Å; T120-R122 WeakPolarHBondContact O-CG 3.43Å; T120-R122 PolarHBondContact O-N 2.91Å; R122-F126 WeakPolarHBondContact O-CE2 3.22Å
123L85.6Confident90.5Very high37 Ų3751.2 Ų51.219%0.19423%0.234CC..THydrogen-bonded Turntrans-98.1-21-175.3-65.4177.9000113M95 V114 L117 R125 F126 L127M95-L123 HydrophobicContact CE-CD1 4.21Å; V114-L123 HydrophobicContact CG2-CD1 3.92Å; L117-L123 HydrophobicContact CD1-CB 3.96Å; L123-R125 PolarHBondContact O-N 2.85Å; L123-R125 VanDerWaalsContact O-N 3.11Å; L123-F126 HydrophobicContact CD2-CD2 4.49Å; L123-F126 PolarHBondContact O-N 2.83Å; L123-L127 WeakPolarHBondContact O-CG 3.1Å; L123-L127 PolarHBondContact O-N 2.85Å
124T87.1Confident90.5Very high42 Ų4252.1 Ų52.126%0.25824%0.238SC..G310 helixtrans-53.7-38.9-172.652.40000113.1L117 F118 R121 F126 L127L117-T124 HydrophobicContact CD1-CG2 4.28Å; L117-T124 HydrophobicContact CG-CG2 4.22Å; F118-T124 HydrophobicContact CD1-CG2 3.88Å; F118-T124 HydrophobicContact CE1-CG2 4.23Å; R121-T124 PolarHBondContact O-OG1 3.35Å; R121-T124 VanDerWaalsContact O-OG1 3.08Å; T124-F126 PolarHBondContact O-N 3.27Å; T124-L127 PolarHBondContact O-N 3.08Å
125R88.8Confident90.7Very high199 Ų19951.5 Ų51.575%0.75123%0.234SC*.G310 helixtrans-66.3-17.4178.773.6-176.5-146.7111.6-0.9115.2L123L123-R125 PolarHBondContact O-N 2.85Å; L123-R125 VanDerWaalsContact O-N 3.11Å
126F90Very high91.1Very high106 Ų10652.3 Ų52.347%0.46524%0.237SC..G310 helixtrans-101.4-5.1-180-56.4-76.4000112.3L3 R122 L123 T124L3-F126 HydrophobicContact CD1-CB 4.45Å; R122-F126 WeakPolarHBondContact O-CE2 3.22Å; L123-F126 HydrophobicContact CD2-CD2 4.49Å; L123-F126 PolarHBondContact O-N 2.83Å; T124-F126 PolarHBondContact O-N 3.27Å
127L93.7Very high91.5Very high23 Ų2352.5 Ų52.512%0.1224%0.243CC..  trans-92.6134.8-177.6-63.2178.2000110.5L3 L112 L117 L123 T124 T130L3-L127 HydrophobicContact CB-CD2 3.73Å; L112-L127 HydrophobicContact CD1-CD2 3.95Å; L112-L127 HydrophobicContact CG-CD2 4.4Å; L117-L127 HydrophobicContact CD1-CD1 3.67Å; L117-L127 HydrophobicContact CD2-CD1 3.72Å; L117-L127 HydrophobicContact CG-CD1 4.21Å; L123-L127 WeakPolarHBondContact O-CG 3.1Å; L123-L127 PolarHBondContact O-N 2.85Å; T124-L127 PolarHBondContact O-N 3.08Å; L127-T130 HydrophobicContact CB-CG2 4.31Å; L127-T130 HydrophobicContact CD1-CG2 3.82Å
128N95.4Very high91.7Very high72 Ų7255.9 Ų55.939%0.38527%0.271SS..SBendtrans-80.1-39.1172.7-70.181.2000111.3F2 L3 E201F2-N128 HydrophobicContact CB-CB 4.03Å; F2-N128 WeakPolarHBondContact CB-OD1 3.48Å; F2-N128 HydrophobicContact CD2-CB 4.08Å; F2-N128 HydrophobicContact CG-CB 4.39Å; L3-N128 PolarHBondContact N-OD1 3.44Å; L3-N128 PolarHBondContact O-N 3.28Å; N128-E201 WeakPolarHBondContact CB-OE2 3.49Å; N128-E201 PolarHBondContact ND2-OE2 2.88Å
129H96Very high91.8Very high27 Ų2756.9 Ų56.913%0.12528%0.278CS..EExtended strand (participates in β ladder)trans-133.6147.8176.6-58.8-54.4000110.5F2 L3 V4 G5 H174 L196 E201F2-H129 AromaticContact CE2-CD2 3.65Å; L3-H129 PolarHBondContact O-N 2.92Å; V4-H129 CarbonylContact C-O 3.55Å; V4-H129 WeakPolarHBondContact CA-O 3.32Å; V4-H129 HydrophobicContact CG1-CB 4.23Å; V4-H129 HydrophobicContact CG2-CB 4.3Å; G5-H129 PolarHBondContact N-O 3.32Å; H129-H174 AromaticContact CG-NE2 3.67Å; H129-H174 AromaticContact ND1-NE2 3.62Å; H129-L196 HydrophobicContact CB-CD2 4.31Å; H129-L196 WeakPolarHBondContact CD2-CD2 3.43Å; H129-E201 IonicContact CE1-OE1 3.26Å; H129-E201 PolarHBondContact CE1-OE1 3.44Å; H129-E201 VanDerWaalsContact CE1-OE1 3.26Å; H129-E201 IonicContact NE2-OE1 3.08Å; H129-E201 PolarHBondContact NE2-OE1 3.46Å; H129-E201 IonicContact NE2-OE2 2.74Å
130T96.9Very high92.2Very high12 Ų1254.6 Ų54.67%0.07427%0.267CS..EExtended strand (participates in β ladder)trans-121.2136.6170.751.10000109.4G5 L117 F118 L127 A172 S173 H174G5-T130 CarbonylContact O-C 3.58Å; G5-T130 WeakPolarHBondContact O-CA 3.29Å; L117-T130 HydrophobicContact CD2-CG2 4.14Å; F118-T130 HydrophobicContact CE1-CG2 4.11Å; F118-T130 HydrophobicContact CZ-CG2 4.08Å; L127-T130 HydrophobicContact CB-CG2 4.31Å; L127-T130 HydrophobicContact CD1-CG2 3.82Å; T130-A172 WeakPolarHBondContact OG1-CA 3.24Å; T130-S173 PolarHBondContact N-OG 3.24Å; T130-S173 VanDerWaalsContact N-OG 3.15Å; T130-S173 WeakPolarHBondContact O-CB 3.36Å; T130-S173 PolarHBondContact O-N 3.27Å; T130-S173 PolarHBondContact OG1-N 2.95Å; T130-S173 PolarHBondContact OG1-OG 3.44Å; T130-H174 PolarHBondContact O-N 3.46Å
131V97.9Very high92.7Very high3 Ų353 Ų532%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-122120.2-178.3-176.30000107.6V4 G5 L6 T7 H174 V176 L192V4-V131 HydrophobicContact CG1-CG2 3.69Å; G5-V131 PolarHBondContact O-N 2.98Å; L6-V131 HydrophobicContact CD1-CB 3.98Å; L6-V131 HydrophobicContact CD1-CG1 3.8Å; T7-V131 PolarHBondContact N-O 3.16Å; V131-H174 WeakPolarHBondContact CA-O 3.13Å; V131-H174 HydrophobicContact CG2-CB 4.31Å; V131-V176 HydrophobicContact CG1-CG2 3.86Å; V131-L192 HydrophobicContact CB-CD2 4.42Å; V131-L192 HydrophobicContact CG1-CD2 3.64Å; V131-L192 HydrophobicContact CG2-CD1 4.26Å; V131-L192 HydrophobicContact CG2-CD2 3.87Å
132V97.8Very high93.2Very high0 Ų047.5 Ų47.50%025%0.245CC..EExtended strand (participates in β ladder)trans-102.1127.8171.5167.50000109.6T7 F118 L165 K168 A172 H174 V175 V176T7-V132 HydrophobicContact CG2-CG2 3.53Å; T7-V132 WeakPolarHBondContact O-CA 3.41Å; F118-V132 HydrophobicContact CD2-CG2 4.48Å; F118-V132 HydrophobicContact CE2-CG2 3.64Å; V132-L165 HydrophobicContact CG1-CD1 4.07Å; V132-K168 HydrophobicContact CG1-CB 4.34Å; V132-K168 HydrophobicContact CG2-CB 4.01Å; V132-A172 HydrophobicContact CB-CB 3.92Å; V132-A172 HydrophobicContact CG2-CB 3.51Å; V132-H174 PolarHBondContact N-O 3.36Å; V132-V175 WeakPolarHBondContact O-CA 3.41Å; V132-V176 PolarHBondContact O-N 2.89Å
133V97.6Very high93.7Very high0 Ų045.5 Ų45.50%024%0.237CC..EExtended strand (participates in β ladder)trans-87.4108.7166-172.50000108.2L6 T7 S12 K14 V17 V176 N178L6-V133 HydrophobicContact CD1-CG2 3.67Å; T7-V133 PolarHBondContact O-N 3.49Å; S12-V133 VanDerWaalsContact CB-O 3.25Å; S12-V133 WeakPolarHBondContact CB-O 3.17Å; S12-V133 WeakPolarHBondContact O-CG1 3.45Å; S12-V133 PolarHBondContact OG-O 3.1Å; K14-V133 HydrophobicContact CB-CB 4.44Å; K14-V133 HydrophobicContact CB-CG2 4.39Å; K14-V133 HydrophobicContact CG-CG2 4.44Å; V17-V133 HydrophobicContact CB-CG2 3.77Å; V17-V133 HydrophobicContact CG1-CG2 3.93Å; V17-V133 HydrophobicContact CG2-CB 4.37Å; V17-V133 HydrophobicContact CG2-CG1 3.73Å; V17-V133 HydrophobicContact CG2-CG2 3.68Å; V133-V176 WeakPolarHBondContact CA-O 3.38Å; V133-N178 HydrophobicContact CG1-CB 3.89Å
134Y96.6Very high94.2Very high21 Ų2143.7 Ų43.78%0.08223%0.228CC..EExtended strand (participates in β ladder)trans-102.9145.2-176176.8-81.6000110.9L165 N166 R169 V176 E177 N178Y134-L165 HydrophobicContact CD2-CB 4.33Å; Y134-L165 HydrophobicContact CD2-CD2 4.01Å; Y134-L165 HydrophobicContact CD2-CG 3.68Å; Y134-L165 HydrophobicContact CE2-CB 4.42Å; Y134-L165 HydrophobicContact CE2-CD2 4.48Å; Y134-L165 HydrophobicContact CE2-CG 4.22Å; Y134-L165 HydrophobicContact CG-CD2 4.37Å; Y134-L165 HydrophobicContact CG-CG 4.39Å; Y134-N166 VanDerWaalsContact CE2-OD1 3.26Å; Y134-N166 WeakPolarHBondContact CE2-OD1 3.43Å; Y134-N166 PolarHBondContact OH-OD1 3.23Å; Y134-R169 HydrophobicContact CD2-CB 4.31Å; Y134-V176 PolarHBondContact N-O 3.32Å; Y134-E177 WeakPolarHBondContact CB-OE2 3.46Å; Y134-E177 HydrophobicContact CD1-CG 4.25Å; Y134-E177 WeakPolarHBondContact CD1-OE1 3.43Å; Y134-E177 VanDerWaalsContact CE1-OE1 3.26Å; Y134-E177 WeakPolarHBondContact CE1-OE1 3.08Å; Y134-N178 PolarHBondContact O-N 3.02Å
135C95.1Very high94.6Very high0 Ų044.3 Ų44.30%023%0.228CC..  trans-141.1156159.166.20000108.7T139 Q140 L165 S179C135-T139 HydrophobicContact CB-CG2 4.3Å; C135-Q140 VanDerWaalsContact SG-CB 3.54Å; C135-L165 WeakPolarHBondContact O-CD2 3.41Å; C135-S179 VanDerWaalsContact CA-OG 3.3Å; C135-S179 WeakPolarHBondContact CA-OG 3.26Å
136D94.1Very high94.8Very high46 Ų4641.1 Ų41.125%0.24623%0.226CC..  trans-61152.2174.768.290.5000111.4A138 T139 Q140 S179D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 3.22Å; D136-A138 WeakPolarHBondContact OD1-CB 3.41Å; D136-A138 PolarHBondContact OD1-N 3.39Å; D136-T139 VanDerWaalsContact CG-OG1 3.26Å; D136-T139 PolarHBondContact O-N 3.04Å; D136-T139 PolarHBondContact OD1-N 2.93Å; D136-T139 PolarHBondContact OD1-OG1 2.75Å; D136-T139 WeakPolarHBondContact OD2-CB 3.3Å; D136-T139 PolarHBondContact OD2-OG1 2.84Å; D136-Q140 WeakPolarHBondContact O-CB 3.48Å; D136-Q140 PolarHBondContact O-N 3.16Å; D136-S179 PolarHBondContact N-OG 3.39Å; D136-S179 VanDerWaalsContact OD2-CB 3.24Å; D136-S179 WeakPolarHBondContact OD2-CB 3.04Å; D136-S179 PolarHBondContact OD2-OG 3.26Å
137P92.1Very high95Very high81 Ų8143.2 Ų43.253%0.52623%0.231SC..Hα-helixtrans-58-36.3-175.9-27.535.8000114.4Q140 L141P137-Q140 WeakPolarHBondContact O-CB 3.39Å; P137-Q140 PolarHBondContact O-N 2.93Å; P137-L141 WeakPolarHBondContact O-CB 3.46Å; P137-L141 PolarHBondContact O-N 2.89Å
138A92.8Very high94.9Very high73 Ų7344.9 Ų44.960%0.60324%0.24SC*.Hα-helixtrans-67.6-45.3-179.100000110.9D136 Q140 L141 S142D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 3.22Å; D136-A138 WeakPolarHBondContact OD1-CB 3.41Å; D136-A138 PolarHBondContact OD1-N 3.39Å; A138-Q140 VanDerWaalsContact C-N 3.35Å; A138-L141 PolarHBondContact O-N 2.86Å; A138-S142 VanDerWaalsContact O-CB 3.31Å; A138-S142 WeakPolarHBondContact O-CB 3.43Å; A138-S142 PolarHBondContact O-N 2.95Å
139T93.8Very high94.7Very high34 Ų3444.8 Ų44.821%0.20926%0.256CS..Hα-helixtrans-62.2-42.3173-63.40000111.6C135 D136 R143C135-T139 HydrophobicContact CB-CG2 4.3Å; D136-T139 VanDerWaalsContact CG-OG1 3.26Å; D136-T139 PolarHBondContact O-N 3.04Å; D136-T139 PolarHBondContact OD1-N 2.93Å; D136-T139 PolarHBondContact OD1-OG1 2.75Å; D136-T139 WeakPolarHBondContact OD2-CB 3.3Å; D136-T139 PolarHBondContact OD2-OG1 2.84Å; T139-R143 HydrophobicContact CG2-CG 4.33Å; T139-R143 WeakPolarHBondContact O-CB 3.45Å; T139-R143 VanDerWaalsContact O-CG 3.26Å; T139-R143 WeakPolarHBondContact O-CG 3.24Å; T139-R143 PolarHBondContact O-N 3.03Å
140Q94.2Very high94.5Very high10 Ų1044.5 Ų44.55%0.04726%0.256CS..Hα-helixtrans-59-49.4178.6-166-179.19.200111.5I10 C135 D136 P137 A138 L144 V159I10-Q140 WeakPolarHBondContact O-CG 3.33Å; I10-Q140 PolarHBondContact O-NE2 3.42Å; C135-Q140 VanDerWaalsContact SG-CB 3.54Å; D136-Q140 WeakPolarHBondContact O-CB 3.48Å; D136-Q140 PolarHBondContact O-N 3.16Å; P137-Q140 WeakPolarHBondContact O-CB 3.39Å; P137-Q140 PolarHBondContact O-N 2.93Å; A138-Q140 VanDerWaalsContact C-N 3.35Å; Q140-L144 WeakPolarHBondContact O-CB 3.46Å; Q140-L144 PolarHBondContact O-N 2.82Å; Q140-V159 HydrophobicContact CG-CG2 4.48Å
141L94.3Very high94.4Very high31 Ų3147.1 Ų47.116%0.16227%0.271CS..Hα-helixtrans-64.7-49.6-178.9-171.970.8000111.2P137 A138 R143 L144 M145 Q152 A155 E156P137-L141 WeakPolarHBondContact O-CB 3.46Å; P137-L141 PolarHBondContact O-N 2.89Å; A138-L141 PolarHBondContact O-N 2.86Å; L141-R143 VanDerWaalsContact C-N 3.35Å; L141-R143 PolarHBondContact O-N 3.11Å; L141-L144 PolarHBondContact O-N 2.56Å; L141-L144 VanDerWaalsContact O-N 3.14Å; L141-M145 HydrophobicContact CG-SD 4Å; L141-M145 WeakPolarHBondContact O-CG 3.41Å; L141-M145 PolarHBondContact O-N 3.32Å; L141-Q152 HydrophobicContact CD2-CG 4.18Å; L141-A155 HydrophobicContact CD1-CB 3.46Å; L141-A155 VanDerWaalsContact CD1-CB 3.46Å; L141-A155 HydrophobicContact CG-CB 4.47Å; L141-E156 HydrophobicContact CD1-CG 3.77Å; L141-E156 HydrophobicContact CD2-CG 4.32Å
142S94.4Very high94.2Very high59 Ų5951.6 Ų51.641%0.41329%0.292SS..Hα-helixtrans-56.9-46.1177.7176.10000112A138 L144 M145 N146A138-S142 VanDerWaalsContact O-CB 3.31Å; A138-S142 WeakPolarHBondContact O-CB 3.43Å; A138-S142 PolarHBondContact O-N 2.95Å; S142-L144 PolarHBondContact O-N 2.68Å; S142-M145 PolarHBondContact O-N 2.92Å; S142-N146 WeakPolarHBondContact O-CB 3.41Å; S142-N146 VanDerWaalsContact O-CG 3.23Å; S142-N146 PolarHBondContact O-N 3.35Å; S142-N146 PolarHBondContact O-ND2 3.26Å; S142-N146 PolarHBondContact OG-ND2 3.17Å
143R94.4Very high94Very high79 Ų7957 Ų5730%0.29832%0.318SS..Hα-helixtrans-63.6-40.9176.6-74.7176.5179.51672.6112.3A11 T139 L141 R147 N178A11-R143 HydrophobicContact CB-CB 4.02Å; T139-R143 HydrophobicContact CG2-CG 4.33Å; T139-R143 WeakPolarHBondContact O-CB 3.45Å; T139-R143 VanDerWaalsContact O-CG 3.26Å; T139-R143 WeakPolarHBondContact O-CG 3.24Å; T139-R143 PolarHBondContact O-N 3.03Å; L141-R143 VanDerWaalsContact C-N 3.35Å; L141-R143 PolarHBondContact O-N 3.11Å; R143-R147 WeakPolarHBondContact O-CB 3.34Å; R143-R147 PolarHBondContact O-N 2.95Å; R143-N178 VanDerWaalsContact CZ-O 3.29Å; R143-N178 PolarHBondContact NH1-ND2 2.81Å; R143-N178 PolarHBondContact NH1-O 3.32Å; R143-N178 PolarHBondContact NH2-O 2.81Å
144L94.4Very high93.7Very high0 Ų061.3 Ų61.30%034%0.337CS..Hα-helixtrans-65.4-46.3179.3-17954.6000111.4I10 A11 Q140 L141 S142 R147 D148 L150 A155 R158 V159I10-L144 HydrophobicContact CD1-CD1 3.59Å; I10-L144 HydrophobicContact CD1-CD2 4Å; I10-L144 HydrophobicContact CD1-CG 4.48Å; I10-L144 HydrophobicContact CG1-CD1 3.84Å; I10-L144 HydrophobicContact CG1-CD2 4.35Å; I10-L144 HydrophobicContact CG2-CD2 4.06Å; A11-L144 HydrophobicContact CB-CB 3.79Å; A11-L144 HydrophobicContact CB-CD1 4.45Å; Q140-L144 WeakPolarHBondContact O-CB 3.46Å; Q140-L144 PolarHBondContact O-N 2.82Å; L141-L144 PolarHBondContact O-N 2.56Å; L141-L144 VanDerWaalsContact O-N 3.14Å; S142-L144 PolarHBondContact O-N 2.68Å; L144-R147 PolarHBondContact O-N 3.15Å; L144-D148 HydrophobicContact CD1-CB 4.48Å; L144-D148 VanDerWaalsContact CD1-OD2 3.31Å; L144-D148 WeakPolarHBondContact CD1-OD2 3.47Å; L144-D148 WeakPolarHBondContact O-CB 3.42Å; L144-D148 PolarHBondContact O-N 3.33Å; L144-L150 HydrophobicContact CD1-CD1 4.29Å; L144-L150 HydrophobicContact CG-CD1 4.12Å; L144-A155 HydrophobicContact CD2-CB 3.99Å; L144-A155 HydrophobicContact CG-CB 4.16Å; L144-R158 HydrophobicContact CD2-CB 4.08Å; L144-V159 HydrophobicContact CD2-CG2 3.94Å
145M95.5Very high93.4Very high54 Ų5460.3 Ų60.327%0.26633%0.333SS..Hα-helixtrans-59.5-48.7176.5-68.9170.766.300111.3L141 S142 R147 G149 L150 Q152 A155L141-M145 HydrophobicContact CG-SD 4Å; L141-M145 WeakPolarHBondContact O-CG 3.41Å; L141-M145 PolarHBondContact O-N 3.32Å; S142-M145 PolarHBondContact O-N 2.92Å; M145-R147 PolarHBondContact O-N 3.49Å; M145-G149 VanDerWaalsContact O-CA 3.29Å; M145-G149 WeakPolarHBondContact O-CA 3.34Å; M145-G149 PolarHBondContact O-N 2.95Å; M145-L150 PolarHBondContact O-N 3.07Å; M145-Q152 HydrophobicContact CE-CB 4.14Å; M145-Q152 HydrophobicContact SD-CB 4.23Å; M145-A155 HydrophobicContact CG-CB 3.62Å
146N94.3Very high93.3Very high132 Ų13264.6 Ų64.671%0.70635%0.354SS*.Hα-helixtrans-65.4-36.9-179.2-71.7-31.2000113.1S142S142-N146 WeakPolarHBondContact O-CB 3.41Å; S142-N146 VanDerWaalsContact O-CG 3.23Å; S142-N146 PolarHBondContact O-N 3.35Å; S142-N146 PolarHBondContact O-ND2 3.26Å; S142-N146 PolarHBondContact OG-ND2 3.17Å
147R93.4Very high93.2Very high151 Ų15169 Ų6957%0.5737%0.373SS*.Hα-helixtrans-73.9-42.1-178.8-172-167.872-178.20112.4R143 L144 M145R143-R147 WeakPolarHBondContact O-CB 3.34Å; R143-R147 PolarHBondContact O-N 2.95Å; L144-R147 PolarHBondContact O-N 3.15Å; M145-R147 PolarHBondContact O-N 3.49Å
148D91.3Very high93.1Very high57 Ų5770.6 Ų70.631%0.30537%0.368SS..Hα-helixtrans-106.7-2.7-169.5-67.82.2000113.2L144 L150 R158L144-D148 HydrophobicContact CD1-CB 4.48Å; L144-D148 VanDerWaalsContact CD1-OD2 3.31Å; L144-D148 WeakPolarHBondContact CD1-OD2 3.47Å; L144-D148 WeakPolarHBondContact O-CB 3.42Å; L144-D148 PolarHBondContact O-N 3.33Å; D148-L150 HydrophobicContact CB-CD1 3.72Å; D148-L150 HydrophobicContact CB-CD2 4.23Å; D148-L150 HydrophobicContact CB-CG 3.61Å; D148-R158 IonicContact OD2-NH1 3.9Å; D148-R158 PolarHBondContact OD2-NH1 3.11Å; D148-R158 VanDerWaalsContact OD2-NH1 3.08Å
149G92.4Very high93Very high71 Ų7169 Ų6973%0.73235%0.351SS*.THydrogen-bonded Turntrans65.336.6-179.500000113.6M145M145-G149 VanDerWaalsContact O-CA 3.29Å; M145-G149 WeakPolarHBondContact O-CA 3.34Å; M145-G149 PolarHBondContact O-N 2.95Å
150L91.1Very high92.8Very high21 Ų2171.2 Ų71.211%0.1137%0.373CS..  trans-95.4154.4-172.1-57.4174.2000112.6L144 M145 D148 Q154 A155L144-L150 HydrophobicContact CD1-CD1 4.29Å; L144-L150 HydrophobicContact CG-CD1 4.12Å; M145-L150 PolarHBondContact O-N 3.07Å; D148-L150 HydrophobicContact CB-CD1 3.72Å; D148-L150 HydrophobicContact CB-CD2 4.23Å; D148-L150 HydrophobicContact CB-CG 3.61Å; L150-Q154 HydrophobicContact CB-CB 4.12Å; L150-Q154 HydrophobicContact CD2-CB 4.49Å; L150-A155 HydrophobicContact CB-CB 4.38Å; L150-A155 HydrophobicContact CD1-CB 4.42Å
151T94.3Very high92.4Very high66 Ų6674.9 Ų74.941%0.40541%0.405SS..  trans-68.7162.4163.382.50000110.6E153 Q154 A155T151-E153 VanDerWaalsContact C-N 3.32Å; T151-E153 WeakPolarHBondContact CB-OE2 3.41Å; T151-E153 PolarHBondContact O-N 3.36Å; T151-E153 PolarHBondContact OG1-N 3.01Å; T151-E153 PolarHBondContact OG1-OE2 3.18Å; T151-Q154 VanDerWaalsContact N-OE1 3.13Å; T151-Q154 PolarHBondContact O-N 2.97Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.47Å; T151-Q154 PolarHBondContact OG1-N 3.41Å; T151-A155 WeakPolarHBondContact O-CB 3.48Å; T151-A155 PolarHBondContact O-N 3.49Å
152Q93.9Very high92Very high98 Ų9875.7 Ų75.746%0.45841%0.408SS..Hα-helixtrans-57-46.7176.6171.8163.1-5.100111.4L141 M145 Q154 A155 E156L141-Q152 HydrophobicContact CD2-CG 4.18Å; M145-Q152 HydrophobicContact CE-CB 4.14Å; M145-Q152 HydrophobicContact SD-CB 4.23Å; Q152-Q154 VanDerWaalsContact C-N 3.34Å; Q152-Q154 PolarHBondContact O-N 3Å; Q152-A155 PolarHBondContact O-N 3.25Å; Q152-A155 VanDerWaalsContact O-N 3.16Å; Q152-E156 HydrophobicContact CG-CG 4.35Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.42Å; Q152-E156 PolarHBondContact NE2-OE1 3.44Å; Q152-E156 WeakPolarHBondContact O-CG 3.24Å; Q152-E156 PolarHBondContact O-N 3.31Å
153E93.6Very high91.8Very high114 Ų11474.3 Ų74.353%0.53340%0.395SS..Hα-helixtrans-62.8-41.7-178.4-5676.7-167.600111.4T151 A155 E156 Q157T151-E153 VanDerWaalsContact C-N 3.32Å; T151-E153 WeakPolarHBondContact CB-OE2 3.41Å; T151-E153 PolarHBondContact O-N 3.36Å; T151-E153 PolarHBondContact OG1-N 3.01Å; T151-E153 PolarHBondContact OG1-OE2 3.18Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 3.16Å; E153-E156 PolarHBondContact O-N 3.25Å; E153-Q157 WeakPolarHBondContact O-CB 3.27Å; E153-Q157 VanDerWaalsContact O-CG 3.28Å; E153-Q157 WeakPolarHBondContact O-CG 3.33Å; E153-Q157 PolarHBondContact O-N 3.15Å
154Q90.9Very high91.7Very high89 Ų8974.3 Ų74.342%0.41641%0.406SS..Hα-helixtrans-64.2-40.1176.5-71.5176-23.200111.9L150 T151 Q152 R158L150-Q154 HydrophobicContact CB-CB 4.12Å; L150-Q154 HydrophobicContact CD2-CB 4.49Å; T151-Q154 VanDerWaalsContact N-OE1 3.13Å; T151-Q154 PolarHBondContact O-N 2.97Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.47Å; T151-Q154 PolarHBondContact OG1-N 3.41Å; Q152-Q154 VanDerWaalsContact C-N 3.34Å; Q152-Q154 PolarHBondContact O-N 3Å; Q154-R158 WeakPolarHBondContact O-CG 3.43Å; Q154-R158 PolarHBondContact O-N 3.47Å
155A91.9Very high91.5Very high0 Ų074.9 Ų74.90%041%0.409CS..Hα-helixtrans-69.3-41.5178.500000111.3L141 L144 M145 L150 T151 Q152 E153 R158 V159L141-A155 HydrophobicContact CD1-CB 3.46Å; L141-A155 VanDerWaalsContact CD1-CB 3.46Å; L141-A155 HydrophobicContact CG-CB 4.47Å; L144-A155 HydrophobicContact CD2-CB 3.99Å; L144-A155 HydrophobicContact CG-CB 4.16Å; M145-A155 HydrophobicContact CG-CB 3.62Å; L150-A155 HydrophobicContact CB-CB 4.38Å; L150-A155 HydrophobicContact CD1-CB 4.42Å; T151-A155 WeakPolarHBondContact O-CB 3.48Å; T151-A155 PolarHBondContact O-N 3.49Å; Q152-A155 PolarHBondContact O-N 3.25Å; Q152-A155 VanDerWaalsContact O-N 3.16Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 3.16Å; A155-R158 PolarHBondContact O-N 3.23Å; A155-V159 WeakPolarHBondContact O-CG2 3.35Å; A155-V159 PolarHBondContact O-N 3.22Å
156E93.1Very high91.4Very high90 Ų9076.1 Ų76.142%0.42142%0.416SS..Hα-helixtrans-60.1-46174.2-74.3173.9-178.700111.8L141 Q152 E153 R158 V159 A160L141-E156 HydrophobicContact CD1-CG 3.77Å; L141-E156 HydrophobicContact CD2-CG 4.32Å; Q152-E156 HydrophobicContact CG-CG 4.35Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.42Å; Q152-E156 PolarHBondContact NE2-OE1 3.44Å; Q152-E156 WeakPolarHBondContact O-CG 3.24Å; Q152-E156 PolarHBondContact O-N 3.31Å; E153-E156 PolarHBondContact O-N 3.25Å; E156-R158 VanDerWaalsContact C-N 3.29Å; E156-R158 PolarHBondContact O-N 2.9Å; E156-V159 PolarHBondContact O-N 3.49Å; E156-A160 WeakPolarHBondContact O-CB 3.44Å; E156-A160 PolarHBondContact O-N 3.46Å
157Q91.3Very high91.3Very high139 Ų13974.6 Ų74.665%0.6541%0.405SS*.Hα-helixtrans-58.1-41.1175.8-75.6176.4-0.700112.3E153 A160 A161E153-Q157 WeakPolarHBondContact O-CB 3.27Å; E153-Q157 VanDerWaalsContact O-CG 3.28Å; E153-Q157 WeakPolarHBondContact O-CG 3.33Å; E153-Q157 PolarHBondContact O-N 3.15Å; Q157-A160 PolarHBondContact O-N 3.4Å; Q157-A161 PolarHBondContact O-N 3.08Å; Q157-A161 VanDerWaalsContact O-N 3.15Å
158R90Very high91.3Very high114 Ų11467.4 Ų67.443%0.4338%0.378SS..Hα-helixtrans-68.7-38.5177.8-73.4-177.4-173.3-1622.1112.7I10 L144 D148 Q154 A155 E156I10-R158 HydrophobicContact CD1-CB 4.45Å; L144-R158 HydrophobicContact CD2-CB 4.08Å; D148-R158 IonicContact OD2-NH1 3.9Å; D148-R158 PolarHBondContact OD2-NH1 3.11Å; D148-R158 VanDerWaalsContact OD2-NH1 3.08Å; Q154-R158 WeakPolarHBondContact O-CG 3.43Å; Q154-R158 PolarHBondContact O-N 3.47Å; A155-R158 PolarHBondContact O-N 3.23Å; E156-R158 VanDerWaalsContact C-N 3.29Å; E156-R158 PolarHBondContact O-N 2.9Å
159V90.3Very high91.5Very high39 Ų3969.8 Ų69.824%0.23638%0.382CS..Hα-helixtrans-66.2-44.1175.6172.30000110.2I10 Q140 L144 A155 E156 A161 Q162I10-V159 HydrophobicContact CG2-CG2 3.85Å; Q140-V159 HydrophobicContact CG-CG2 4.48Å; L144-V159 HydrophobicContact CD2-CG2 3.94Å; A155-V159 WeakPolarHBondContact O-CG2 3.35Å; A155-V159 PolarHBondContact O-N 3.22Å; E156-V159 PolarHBondContact O-N 3.49Å; V159-A161 PolarHBondContact O-N 3.39Å; V159-Q162 PolarHBondContact O-N 3.16Å; V159-Q162 VanDerWaalsContact O-N 3.15Å
160A89Confident91.5Very high82 Ų8269.7 Ų69.768%0.67838%0.381SS*.Hα-helixtrans-66.2-21.5-18000000114E156 Q157 Q162E156-A160 WeakPolarHBondContact O-CB 3.44Å; E156-A160 PolarHBondContact O-N 3.46Å; Q157-A160 PolarHBondContact O-N 3.4Å; A160-Q162 PolarHBondContact O-N 2.93Å
161A86.3Confident91.7Very high87 Ų8772.7 Ų72.772%0.71940%0.397SS*.THydrogen-bonded Turntrans-71.5-1017500000113.8Q157 V159Q157-A161 PolarHBondContact O-N 3.08Å; Q157-A161 VanDerWaalsContact O-N 3.15Å; V159-A161 PolarHBondContact O-N 3.39Å
162Q86.6Confident91.7Very high47 Ų4770.5 Ų70.522%0.2239%0.386CS..SBendtrans-109.7160.4177.4-61.9-173.6-15.600110.8V159 A160V159-Q162 PolarHBondContact O-N 3.16Å; V159-Q162 VanDerWaalsContact O-N 3.15Å; A160-Q162 PolarHBondContact O-N 2.93Å
163M89Confident91.8Very high31 Ų3169 Ų6915%0.15339%0.387CS..  trans-57.1132.2170.2173.6-179.5-80.800109.6F118 E119 L165 E167 K168 L171F118-M163 HydrophobicContact CB-CE 4.44Å; F118-M163 HydrophobicContact CB-SD 3.87Å; E119-M163 HydrophobicContact CG-CB 3.81Å; E119-M163 PolarHBondContact OE1-N 3.3Å; M163-L165 PolarHBondContact O-N 2.85Å; M163-E167 HydrophobicContact CG-CB 4.07Å; M163-E167 HydrophobicContact CG-CG 4.28Å; M163-E167 WeakPolarHBondContact CG-OE2 3.39Å; M163-E167 HydrophobicContact SD-CG 4.29Å; M163-K168 HydrophobicContact CB-CG 4.26Å; M163-K168 HydrophobicContact CG-CG 3.88Å; M163-K168 HydrophobicContact SD-CG 3.74Å; M163-L171 HydrophobicContact CE-CD1 4.31Å; M163-L171 HydrophobicContact SD-CD1 3.91Å
164P92.4Very high92Very high79 Ų7964.9 Ų64.951%0.51337%0.367SS..  trans-50.2135178.5-28.834.7000112.2N166 E167 K168P164-N166 PolarHBondContact O-N 2.75Å; P164-E167 HydrophobicContact CB-CB 4.25Å; P164-E167 WeakPolarHBondContact O-CA 3.46Å; P164-E167 WeakPolarHBondContact O-CB 3.42Å; P164-E167 PolarHBondContact O-N 3.44Å; P164-K168 PolarHBondContact O-N 3.15Å
165L91.2Very high92.3Very high12 Ų1263.1 Ų63.16%0.06336%0.362CS..Hα-helixtrans-63.6-31.8-174-16355.6000112.5G9 V132 Y134 C135 M163 E167 K168 R169G9-L165 VanDerWaalsContact N-CD1 3.27Å; V132-L165 HydrophobicContact CG1-CD1 4.07Å; Y134-L165 HydrophobicContact CD2-CB 4.33Å; Y134-L165 HydrophobicContact CD2-CD2 4.01Å; Y134-L165 HydrophobicContact CD2-CG 3.68Å; Y134-L165 HydrophobicContact CE2-CB 4.42Å; Y134-L165 HydrophobicContact CE2-CD2 4.48Å; Y134-L165 HydrophobicContact CE2-CG 4.22Å; Y134-L165 HydrophobicContact CG-CD2 4.37Å; Y134-L165 HydrophobicContact CG-CG 4.39Å; C135-L165 WeakPolarHBondContact O-CD2 3.41Å; M163-L165 PolarHBondContact O-N 2.85Å; L165-E167 VanDerWaalsContact C-N 3.33Å; L165-K168 HydrophobicContact CD1-CD 4.22Å; L165-K168 PolarHBondContact O-N 3.06Å; L165-R169 WeakPolarHBondContact O-CB 3.5Å; L165-R169 PolarHBondContact O-N 3.25Å
166N92.1Very high92.6Very high80 Ų8063.3 Ų63.343%0.42836%0.363SS..Hα-helixtrans-62.9-37171.6-82.8-42.6000113Y134 P164 R169 G170Y134-N166 VanDerWaalsContact CE2-OD1 3.26Å; Y134-N166 WeakPolarHBondContact CE2-OD1 3.43Å; Y134-N166 PolarHBondContact OH-OD1 3.23Å; P164-N166 PolarHBondContact O-N 2.75Å; N166-R169 WeakPolarHBondContact O-CB 3.2Å; N166-R169 PolarHBondContact O-N 3.1Å; N166-G170 PolarHBondContact O-N 3.03Å
167E93.5Very high92.7Very high100 Ų10061.8 Ų61.847%0.46736%0.356SS..Hα-helixtrans-69.8-45.7175.9-168.1-175.217600110.1M163 P164 L165 R169 G170 L171M163-E167 HydrophobicContact CG-CB 4.07Å; M163-E167 HydrophobicContact CG-CG 4.28Å; M163-E167 WeakPolarHBondContact CG-OE2 3.39Å; M163-E167 HydrophobicContact SD-CG 4.29Å; P164-E167 HydrophobicContact CB-CB 4.25Å; P164-E167 WeakPolarHBondContact O-CA 3.46Å; P164-E167 WeakPolarHBondContact O-CB 3.42Å; P164-E167 PolarHBondContact O-N 3.44Å; L165-E167 VanDerWaalsContact C-N 3.33Å; E167-R169 PolarHBondContact O-N 3.37Å; E167-G170 PolarHBondContact O-N 3.24Å; E167-L171 PolarHBondContact O-N 2.98Å
168K93.8Very high93Very high0 Ų055.6 Ų55.60%033%0.327CS..Hα-helixtrans-54.5-43173-66.4-169.3179.7-168.90111.6G8 P115 F118 E119 V132 M163 P164 L165 G170 L171 A172G8-K168 PolarHBondContact O-NZ 2.92Å; P115-K168 PolarHBondContact O-NZ 3.08Å; F118-K168 HydrophobicContact CD2-CB 4.02Å; F118-K168 HydrophobicContact CD2-CD 4.48Å; F118-K168 HydrophobicContact CD2-CG 4.05Å; F118-K168 HydrophobicContact CE2-CB 4.35Å; E119-K168 WeakPolarHBondContact OE1-CE 3.42Å; E119-K168 IonicContact OE1-NZ 2.57Å; E119-K168 PolarHBondContact OE1-NZ 2.86Å; E119-K168 IonicContact OE2-NZ 3.32Å; E119-K168 PolarHBondContact OE2-NZ 3.33Å; V132-K168 HydrophobicContact CG1-CB 4.34Å; V132-K168 HydrophobicContact CG2-CB 4.01Å; M163-K168 HydrophobicContact CB-CG 4.26Å; M163-K168 HydrophobicContact CG-CG 3.88Å; M163-K168 HydrophobicContact SD-CG 3.74Å; P164-K168 PolarHBondContact O-N 3.15Å; L165-K168 HydrophobicContact CD1-CD 4.22Å; L165-K168 PolarHBondContact O-N 3.06Å; K168-G170 VanDerWaalsContact C-N 3.28Å; K168-G170 PolarHBondContact O-N 2.88Å; K168-L171 PolarHBondContact O-N 3.27Å; K168-L171 VanDerWaalsContact O-N 3.1Å; K168-A172 PolarHBondContact O-N 3.46Å
169R94.1Very high93.1Very high106 Ų10652 Ų5240%0.432%0.32SS..Hα-helixtrans-57.2-40.9177.5-170.1-178.767.8169.2-0111.8Y134 L165 N166 E167 L171 A172 V175Y134-R169 HydrophobicContact CD2-CB 4.31Å; L165-R169 WeakPolarHBondContact O-CB 3.5Å; L165-R169 PolarHBondContact O-N 3.25Å; N166-R169 WeakPolarHBondContact O-CB 3.2Å; N166-R169 PolarHBondContact O-N 3.1Å; E167-R169 PolarHBondContact O-N 3.37Å; R169-L171 VanDerWaalsContact C-N 3.29Å; R169-L171 PolarHBondContact O-N 3.4Å; R169-A172 PolarHBondContact O-N 3.27Å; R169-V175 HydrophobicContact CG-CB 4.41Å; R169-V175 HydrophobicContact CG-CG1 3.91Å; R169-V175 HydrophobicContact CG-CG2 3.59Å
170G93.8Very high93.1Very high69 Ų6952.4 Ų52.471%0.71133%0.332SS*.Hα-helixtrans-70.2-21177.700000114.6N166 E167 K168N166-G170 PolarHBondContact O-N 3.03Å; E167-G170 PolarHBondContact O-N 3.24Å; K168-G170 VanDerWaalsContact C-N 3.28Å; K168-G170 PolarHBondContact O-N 2.88Å
171L93.6Very high93.3Very high84 Ų8450.7 Ų50.744%0.4432%0.315SS..Hα-helixtrans-90.9-11.9177.9-60.9174.7000113.3F118 M163 E167 K168 R169F118-L171 HydrophobicContact CB-CD1 4.08Å; F118-L171 HydrophobicContact CD1-CB 4.05Å; F118-L171 HydrophobicContact CD1-CD1 4.11Å; F118-L171 HydrophobicContact CD2-CB 4.37Å; F118-L171 HydrophobicContact CD2-CD1 4.46Å; F118-L171 HydrophobicContact CE1-CB 3.8Å; F118-L171 HydrophobicContact CE2-CB 4.11Å; F118-L171 HydrophobicContact CG-CB 4.33Å; F118-L171 HydrophobicContact CG-CD1 3.99Å; F118-L171 HydrophobicContact CZ-CB 3.83Å; M163-L171 HydrophobicContact CE-CD1 4.31Å; M163-L171 HydrophobicContact SD-CD1 3.91Å; E167-L171 PolarHBondContact O-N 2.98Å; K168-L171 PolarHBondContact O-N 3.27Å; K168-L171 VanDerWaalsContact O-N 3.1Å; R169-L171 VanDerWaalsContact C-N 3.29Å; R169-L171 PolarHBondContact O-N 3.4Å
172A95.3Very high93.6Very high21 Ų2153.9 Ų53.917%0.17431%0.308CS..  trans-89145.2-170.600000113.2F118 T130 V132 K168 R169 H174F118-A172 HydrophobicContact CE2-CB 4.45Å; F118-A172 HydrophobicContact CZ-CB 4.31Å; T130-A172 WeakPolarHBondContact OG1-CA 3.24Å; V132-A172 HydrophobicContact CB-CB 3.92Å; V132-A172 HydrophobicContact CG2-CB 3.51Å; K168-A172 PolarHBondContact O-N 3.46Å; R169-A172 PolarHBondContact O-N 3.27Å; A172-H174 WeakPolarHBondContact CB-O 3.34Å
173S95.8Very high94.1Very high67 Ų6757.1 Ų57.147%0.46932%0.324SS..SBendtrans-71.6-33.5172.3-44.10000112T130T130-S173 PolarHBondContact N-OG 3.24Å; T130-S173 VanDerWaalsContact N-OG 3.15Å; T130-S173 WeakPolarHBondContact O-CB 3.36Å; T130-S173 PolarHBondContact O-N 3.27Å; T130-S173 PolarHBondContact OG1-N 2.95Å; T130-S173 PolarHBondContact OG1-OG 3.44Å
174H97.3Very high94.4Very high27 Ų2758.3 Ų58.313%0.12533%0.33CS..EExtended strand (participates in β ladder)trans-139.7151.4179.2-47.7-88.8000110.2H129 T130 V131 V132 A172 L192H129-H174 AromaticContact CG-NE2 3.67Å; H129-H174 AromaticContact ND1-NE2 3.62Å; T130-H174 PolarHBondContact O-N 3.46Å; V131-H174 WeakPolarHBondContact CA-O 3.13Å; V131-H174 HydrophobicContact CG2-CB 4.31Å; V132-H174 PolarHBondContact N-O 3.36Å; A172-H174 WeakPolarHBondContact CB-O 3.34Å; H174-L192 HydrophobicContact CB-CD1 3.85Å
175V97.6Very high94.6Very high52 Ų5254.5 Ų54.532%0.31531%0.306SS..EExtended strand (participates in β ladder)trans-127.3134.6178.6-170.60000108.3V132 R169 E177V132-V175 WeakPolarHBondContact O-CA 3.41Å; R169-V175 HydrophobicContact CG-CB 4.41Å; R169-V175 HydrophobicContact CG-CG1 3.91Å; R169-V175 HydrophobicContact CG-CG2 3.59Å; V175-E177 WeakPolarHBondContact CG1-OE2 3.26Å
176V97.9Very high94.8Very high3 Ų358.8 Ų58.82%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-113.2115171.4178.30000108.1V17 V131 V132 V133 Y134 T185 Q188 V189 L192V17-V176 HydrophobicContact CG2-CB 4.46Å; V17-V176 HydrophobicContact CG2-CG1 3.77Å; V131-V176 HydrophobicContact CG1-CG2 3.86Å; V132-V176 PolarHBondContact O-N 2.89Å; V133-V176 WeakPolarHBondContact CA-O 3.38Å; Y134-V176 PolarHBondContact N-O 3.32Å; V176-T185 HydrophobicContact CG1-CG2 4.08Å; V176-Q188 HydrophobicContact CG1-CB 4.25Å; V176-V189 HydrophobicContact CG1-CG2 4.04Å; V176-L192 HydrophobicContact CG2-CD2 3.83Å
177E96.8Very high95.1Very high58 Ų5863 Ų6327%0.27134%0.335SS..EExtended strand (participates in β ladder)trans-86.2116.6-176.1-133.465.6170.200110.5Y134 V175 Q188Y134-E177 WeakPolarHBondContact CB-OE2 3.46Å; Y134-E177 HydrophobicContact CD1-CG 4.25Å; Y134-E177 WeakPolarHBondContact CD1-OE1 3.43Å; Y134-E177 VanDerWaalsContact CE1-OE1 3.26Å; Y134-E177 WeakPolarHBondContact CE1-OE1 3.08Å; V175-E177 WeakPolarHBondContact CG1-OE2 3.26Å; E177-Q188 PolarHBondContact O-NE2 3.08Å
178N96.1Very high95.3Very high9 Ų961 Ų615%0.04833%0.326CS..  trans-121.226.7-173.8-171.545.5000112.3S12 G13 V133 Y134 R143 T185S12-N178 PolarHBondContact O-ND2 2.96Å; G13-N178 WeakPolarHBondContact CA-ND2 3.25Å; V133-N178 HydrophobicContact CG1-CB 3.89Å; Y134-N178 PolarHBondContact O-N 3.02Å; R143-N178 VanDerWaalsContact CZ-O 3.29Å; R143-N178 PolarHBondContact NH1-ND2 2.81Å; R143-N178 PolarHBondContact NH1-O 3.32Å; R143-N178 PolarHBondContact NH2-O 2.81Å; N178-T185 HydrophobicContact CB-CG2 4.37Å; N178-T185 PolarHBondContact OD1-OG1 3.44Å
179S93.2Very high95.5Very high40 Ų4061 Ų6128%0.2833%0.326SS..SBendtrans-81.5-30168.1-76.80000113.3C135 D136C135-S179 VanDerWaalsContact CA-OG 3.3Å; C135-S179 WeakPolarHBondContact CA-OG 3.26Å; D136-S179 PolarHBondContact N-OG 3.39Å; D136-S179 VanDerWaalsContact OD2-CB 3.24Å; D136-S179 WeakPolarHBondContact OD2-CB 3.04Å; D136-S179 PolarHBondContact OD2-OG 3.26Å
180G90.5Very high95.7Very high47 Ų4760.2 Ų60.249%0.48533%0.329SS..SBendtrans-84.1-151-176.100000113.7
181S92.9Very high95.9Very high45 Ų4566.5 Ų66.532%0.31533%0.332SS..  trans-71.5161.9178.371.20000112.2E183 D184 T185S181-E183 WeakPolarHBondContact CB-OE2 2.85Å; S181-E183 PolarHBondContact O-N 3.31Å; S181-D184 WeakPolarHBondContact CB-OD2 3.37Å; S181-D184 PolarHBondContact N-OD2 3.26Å; S181-D184 VanDerWaalsContact N-OD2 3.16Å; S181-D184 PolarHBondContact O-N 3Å; S181-D184 PolarHBondContact OG-N 2.81Å; S181-D184 VanDerWaalsContact OG-N 3.09Å; S181-D184 PolarHBondContact OG-OD2 2.87Å; S181-T185 PolarHBondContact O-N 2.89Å; S181-T185 PolarHBondContact O-OG1 3.26Å
182R92.9Very high96.1Very high155 Ų15563.2 Ų63.259%0.58531%0.314SS*.Hα-helixtrans-64.8-34.8175.7-175.3176.9177.4-179.1-2.3110.6T185 Q186R182-T185 WeakPolarHBondContact O-CB 3.38Å; R182-T185 PolarHBondContact O-N 3.45Å; R182-Q186 WeakPolarHBondContact O-CB 3.32Å; R182-Q186 PolarHBondContact O-N 2.87Å
183E95.6Very high96.2Very high115 Ų11563.6 Ų63.654%0.53731%0.312SS..Hα-helixtrans-64.8-40.3177.3-63.472-159.100111.3S181 T185 Q186 R187S181-E183 WeakPolarHBondContact CB-OE2 2.85Å; S181-E183 PolarHBondContact O-N 3.31Å; E183-T185 VanDerWaalsContact C-N 3.32Å; E183-T185 PolarHBondContact O-N 3.35Å; E183-Q186 PolarHBondContact O-N 3.21Å; E183-R187 WeakPolarHBondContact O-CG 3.49Å; E183-R187 PolarHBondContact O-N 3.28Å
184D95.4Very high96.2Very high55 Ų5563.4 Ų63.429%0.29431%0.309SS..Hα-helixtrans-61.9-43.5173.8-63.6-37.6000111.4S181 R187 Q188S181-D184 WeakPolarHBondContact CB-OD2 3.37Å; S181-D184 PolarHBondContact N-OD2 3.26Å; S181-D184 VanDerWaalsContact N-OD2 3.16Å; S181-D184 PolarHBondContact O-N 3Å; S181-D184 PolarHBondContact OG-N 2.81Å; S181-D184 VanDerWaalsContact OG-N 3.09Å; S181-D184 PolarHBondContact OG-OD2 2.87Å; D184-R187 PolarHBondContact O-N 3.42Å; D184-R187 IonicContact OD1-CZ 3.92Å; D184-R187 IonicContact OD1-NE 3.43Å; D184-R187 IonicContact OD1-NH2 3.89Å; D184-R187 PolarHBondContact OD1-NH2 3.31Å; D184-Q188 WeakPolarHBondContact O-CG 3.36Å; D184-Q188 PolarHBondContact O-N 2.91Å; D184-Q188 VanDerWaalsContact O-N 3.08Å; D184-Q188 PolarHBondContact O-NE2 3.42Å
185T96.3Very high96.2Very high0 Ų068.2 Ų68.20%033%0.329CS..Hα-helixtrans-63.6-44.9177.6-55.40000110.4V17 L20 V176 N178 S181 R182 E183 R187 Q188 V189V17-T185 HydrophobicContact CG2-CG2 3.94Å; L20-T185 HydrophobicContact CD1-CG2 4.26Å; V176-T185 HydrophobicContact CG1-CG2 4.08Å; N178-T185 HydrophobicContact CB-CG2 4.37Å; N178-T185 PolarHBondContact OD1-OG1 3.44Å; S181-T185 PolarHBondContact O-N 2.89Å; S181-T185 PolarHBondContact O-OG1 3.26Å; R182-T185 WeakPolarHBondContact O-CB 3.38Å; R182-T185 PolarHBondContact O-N 3.45Å; E183-T185 VanDerWaalsContact C-N 3.32Å; E183-T185 PolarHBondContact O-N 3.35Å; T185-R187 PolarHBondContact O-N 2.87Å; T185-Q188 PolarHBondContact O-N 3.21Å; T185-V189 HydrophobicContact CG2-CG2 4.42Å; T185-V189 WeakPolarHBondContact O-CG2 3.38Å; T185-V189 PolarHBondContact O-N 2.96Å
186Q97.3Very high96.1Very high102 Ų10265.9 Ų65.948%0.47732%0.315SS..Hα-helixtrans-60.6-43.6177.8-174.6176.25.200112.2L20 R182 E183 Q188 V189 L190L20-Q186 HydrophobicContact CD1-CB 4.4Å; L20-Q186 HydrophobicContact CD2-CB 4.47Å; L20-Q186 HydrophobicContact CD2-CG 4.19Å; R182-Q186 WeakPolarHBondContact O-CB 3.32Å; R182-Q186 PolarHBondContact O-N 2.87Å; E183-Q186 PolarHBondContact O-N 3.21Å; Q186-Q188 VanDerWaalsContact C-N 3.33Å; Q186-Q188 PolarHBondContact O-N 3.49Å; Q186-V189 PolarHBondContact O-N 2.61Å; Q186-L190 WeakPolarHBondContact O-CB 3.35Å; Q186-L190 PolarHBondContact O-N 3.09Å
187R97.7Very high95.9Very high167 Ų16768.4 Ų68.463%0.6333%0.327SS*.Hα-helixtrans-61-41.3175.5-74.5-173.2-73.8170.2-9112.3E183 D184 T185 R191E183-R187 WeakPolarHBondContact O-CG 3.49Å; E183-R187 PolarHBondContact O-N 3.28Å; D184-R187 PolarHBondContact O-N 3.42Å; D184-R187 IonicContact OD1-CZ 3.92Å; D184-R187 IonicContact OD1-NE 3.43Å; D184-R187 IonicContact OD1-NH2 3.89Å; D184-R187 PolarHBondContact OD1-NH2 3.31Å; T185-R187 PolarHBondContact O-N 2.87Å; R187-R191 PolarHBondContact O-N 2.64Å
188Q98.2Very high95.7Very high59 Ų5971.2 Ų71.228%0.27634%0.344SS..Hα-helixtrans-66.7-42.6176.4-72.2175.276.100112.2V176 E177 D184 T185 Q186 R191 L192V176-Q188 HydrophobicContact CG1-CB 4.25Å; E177-Q188 PolarHBondContact O-NE2 3.08Å; D184-Q188 WeakPolarHBondContact O-CG 3.36Å; D184-Q188 PolarHBondContact O-N 2.91Å; D184-Q188 VanDerWaalsContact O-N 3.08Å; D184-Q188 PolarHBondContact O-NE2 3.42Å; T185-Q188 PolarHBondContact O-N 3.21Å; Q186-Q188 VanDerWaalsContact C-N 3.33Å; Q186-Q188 PolarHBondContact O-N 3.49Å; Q188-R191 PolarHBondContact O-N 3.44Å; Q188-L192 WeakPolarHBondContact O-CB 3.42Å; Q188-L192 PolarHBondContact O-N 3.22Å
189V98Very high95.5Very high1 Ų171.7 Ų71.71%0.00635%0.348CS..Hα-helixtrans-62.7-42.2176.6172.50000111.3V17 L20 L21 L24 V176 T185 Q186 L192 H193V17-V189 HydrophobicContact CB-CG2 4.33Å; V17-V189 HydrophobicContact CG1-CG2 3.85Å; V17-V189 HydrophobicContact CG2-CG2 4.12Å; L20-V189 HydrophobicContact CB-CB 4.41Å; L20-V189 HydrophobicContact CB-CG1 3.88Å; L20-V189 HydrophobicContact CB-CG2 4.44Å; L20-V189 HydrophobicContact CD1-CB 4.46Å; L20-V189 HydrophobicContact CD1-CG2 4.08Å; L21-V189 HydrophobicContact CD2-CG1 3.73Å; L21-V189 HydrophobicContact CG-CG1 3.81Å; L24-V189 HydrophobicContact CD1-CG1 4.07Å; V176-V189 HydrophobicContact CG1-CG2 4.04Å; T185-V189 HydrophobicContact CG2-CG2 4.42Å; T185-V189 WeakPolarHBondContact O-CG2 3.38Å; T185-V189 PolarHBondContact O-N 2.96Å; Q186-V189 PolarHBondContact O-N 2.61Å; V189-L192 PolarHBondContact O-N 3.01Å; V189-H193 WeakPolarHBondContact O-CB 3.48Å; V189-H193 PolarHBondContact O-N 3.02Å
190L97.9Very high95.4Very high88 Ų8875.3 Ų75.346%0.46136%0.362SS..Hα-helixtrans-61.5-47.6175.9-177.563.2000111.1L24 Q186 L192 H193 T194L24-L190 HydrophobicContact CD1-CD1 4.36Å; L24-L190 HydrophobicContact CD2-CD1 4.08Å; Q186-L190 WeakPolarHBondContact O-CB 3.35Å; Q186-L190 PolarHBondContact O-N 3.09Å; L190-L192 VanDerWaalsContact C-N 3.31Å; L190-L192 PolarHBondContact O-N 3.21Å; L190-H193 PolarHBondContact O-N 3.49Å; L190-T194 PolarHBondContact O-N 2.89Å; L190-T194 PolarHBondContact O-OG1 3.33Å; L190-T194 VanDerWaalsContact O-OG1 3.1Å
191R97.9Very high95.3Very high202 Ų20276.9 Ų76.976%0.76236%0.356SS*.Hα-helixtrans-59.2-42.9176.9-177-177.3-70.1-179.2-2.7111.9R187 Q188 K195R187-R191 PolarHBondContact O-N 2.64Å; Q188-R191 PolarHBondContact O-N 3.44Å; R191-K195 WeakPolarHBondContact O-CB 3.49Å; R191-K195 PolarHBondContact O-N 2.94Å
192L97.7Very high95.1Very high14 Ų1475.4 Ų75.47%0.07334%0.344CS..Hα-helixtrans-62.1-48.6175.9174.165000110.8V131 H174 V176 Q188 V189 L190 K195 L196V131-L192 HydrophobicContact CB-CD2 4.42Å; V131-L192 HydrophobicContact CG1-CD2 3.64Å; V131-L192 HydrophobicContact CG2-CD1 4.26Å; V131-L192 HydrophobicContact CG2-CD2 3.87Å; H174-L192 HydrophobicContact CB-CD1 3.85Å; V176-L192 HydrophobicContact CG2-CD2 3.83Å; Q188-L192 WeakPolarHBondContact O-CB 3.42Å; Q188-L192 PolarHBondContact O-N 3.22Å; V189-L192 PolarHBondContact O-N 3.01Å; L190-L192 VanDerWaalsContact C-N 3.31Å; L190-L192 PolarHBondContact O-N 3.21Å; L192-K195 PolarHBondContact O-N 3.47Å; L192-L196 HydrophobicContact CD1-CD1 3.93Å; L192-L196 HydrophobicContact CD1-CG 4.1Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 HydrophobicContact CG-CG 4.45Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 2.93Å
193H97.5Very high94.9Very high29 Ų2971.7 Ų71.713%0.13434%0.335CS..Hα-helixtrans-57.9-50178.617257.3000111.6L21 L24 Y109 V189 L190 K195 L196 E197L21-H193 HydrophobicContact CD2-CB 4.35Å; L24-H193 HydrophobicContact CD1-CB 3.87Å; Y109-H193 AromaticContact CZ-ND1 3.91Å; Y109-H193 PolarHBondContact OH-ND1 3.41Å; V189-H193 WeakPolarHBondContact O-CB 3.48Å; V189-H193 PolarHBondContact O-N 3.02Å; L190-H193 PolarHBondContact O-N 3.49Å; H193-K195 VanDerWaalsContact C-N 3.33Å; H193-K195 PolarHBondContact O-N 2.88Å; H193-L196 PolarHBondContact O-N 3.37Å; H193-L196 VanDerWaalsContact O-N 3.16Å; H193-E197 WeakPolarHBondContact CE1-CG 3.43Å; H193-E197 IonicContact CE1-OE1 3.85Å; H193-E197 PolarHBondContact O-N 3.02Å
194T96.8Very high94.5Very high64 Ų6472 Ų7239%0.39334%0.34SS..Hα-helixtrans-56.7-46.6176.4-56.30000111.4L190 L196 E197 D198L190-T194 PolarHBondContact O-N 2.89Å; L190-T194 PolarHBondContact O-OG1 3.33Å; L190-T194 VanDerWaalsContact O-OG1 3.1Å; T194-L196 VanDerWaalsContact C-N 3.31Å; T194-L196 PolarHBondContact O-N 3.05Å; T194-E197 PolarHBondContact O-N 3.02Å; T194-D198 WeakPolarHBondContact O-CB 3.46Å; T194-D198 VanDerWaalsContact O-CG 3.3Å; T194-D198 PolarHBondContact O-N 2.95Å
195K96.2Very high94Very high127 Ų12771 Ų7155%0.55234%0.34SS*.Hα-helixtrans-60.6-39.1178.3-175.1178.4-179.3-176.50112.8R191 L192 H193 S199R191-K195 WeakPolarHBondContact O-CB 3.49Å; R191-K195 PolarHBondContact O-N 2.94Å; L192-K195 PolarHBondContact O-N 3.47Å; H193-K195 VanDerWaalsContact C-N 3.33Å; H193-K195 PolarHBondContact O-N 2.88Å; K195-S199 PolarHBondContact O-N 2.98Å
196L95.9Very high93.7Very high3 Ų374.9 Ų74.92%0.01635%0.354CS..Hα-helixtrans-72.8-40.4177.7-65.9172.7000111.5F2 V4 Y109 H129 L192 H193 T194 D198 S199F2-L196 HydrophobicContact CE2-CD2 4.17Å; F2-L196 HydrophobicContact CZ-CB 4.44Å; F2-L196 WeakPolarHBondContact CZ-O 3.36Å; V4-L196 HydrophobicContact CG1-CD1 4.29Å; V4-L196 HydrophobicContact CG2-CD1 4.26Å; V4-L196 HydrophobicContact CG2-CD2 4.16Å; Y109-L196 HydrophobicContact CD1-CB 4.12Å; Y109-L196 HydrophobicContact CD2-CD1 4.44Å; Y109-L196 HydrophobicContact CE1-CB 3.81Å; Y109-L196 HydrophobicContact CE2-CB 4.35Å; Y109-L196 HydrophobicContact CE2-CD1 3.9Å; H129-L196 HydrophobicContact CB-CD2 4.31Å; H129-L196 WeakPolarHBondContact CD2-CD2 3.43Å; L192-L196 HydrophobicContact CD1-CD1 3.93Å; L192-L196 HydrophobicContact CD1-CG 4.1Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 HydrophobicContact CG-CG 4.45Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 2.93Å; H193-L196 PolarHBondContact O-N 3.37Å; H193-L196 VanDerWaalsContact O-N 3.16Å; T194-L196 VanDerWaalsContact C-N 3.31Å; T194-L196 PolarHBondContact O-N 3.05Å; L196-D198 VanDerWaalsContact C-N 3.35Å; L196-S199 VanDerWaalsContact O-CB 3.3Å; L196-S199 WeakPolarHBondContact O-CB 3.42Å; L196-S199 PolarHBondContact O-N 3.39Å
197E93.4Very high93.3Very high57 Ų5772.7 Ų72.727%0.26635%0.354SS..Hα-helixtrans-61.8-42174.5-81.4-63.6138.600111.6R108 Y109 H193 T194 S199R108-E197 WeakPolarHBondContact CD-OE2 3.4Å; R108-E197 PolarHBondContact NE-O 3.35Å; R108-E197 PolarHBondContact NH1-O 3.32Å; R108-E197 PolarHBondContact NH2-O 3.5Å; Y109-E197 HydrophobicContact CE1-CG 4.1Å; Y109-E197 WeakPolarHBondContact CE1-OE1 3.45Å; H193-E197 WeakPolarHBondContact CE1-CG 3.43Å; H193-E197 IonicContact CE1-OE1 3.85Å; H193-E197 PolarHBondContact O-N 3.02Å; T194-E197 PolarHBondContact O-N 3.02Å; E197-S199 PolarHBondContact O-N 3.37Å
198D92.9Very high92.9Very high117 Ų11769.4 Ų69.463%0.62635%0.348SS*.THydrogen-bonded Turntrans-70.8-13.9179.6-68.5-22.6000113.3T194 L196T194-D198 WeakPolarHBondContact O-CB 3.46Å; T194-D198 VanDerWaalsContact O-CG 3.3Å; T194-D198 PolarHBondContact O-N 2.95Å; L196-D198 VanDerWaalsContact C-N 3.35Å
199S92.4Very high92.4Very high19 Ų1968.3 Ų68.313%0.13335%0.349CS..  trans-63.5140178-1780000111.8R108 K195 L196 E197 E201 F202R108-S199 PolarHBondContact NH2-O 3.49Å; K195-S199 PolarHBondContact O-N 2.98Å; L196-S199 VanDerWaalsContact O-CB 3.3Å; L196-S199 WeakPolarHBondContact O-CB 3.42Å; L196-S199 PolarHBondContact O-N 3.39Å; E197-S199 PolarHBondContact O-N 3.37Å; S199-E201 WeakPolarHBondContact OG-CG 3.32Å; S199-E201 PolarHBondContact OG-N 3.04Å; S199-F202 WeakPolarHBondContact O-CD1 3.03Å; S199-F202 VanDerWaalsContact O-CE1 3.25Å; S199-F202 WeakPolarHBondContact O-CE1 3.32Å
200M90.3Very high91.9Very high116 Ų11674 Ų7457%0.57138%0.378SS*.  trans-99.22.1177.2-66-63.7-98.800112.9F202 L203M200-F202 PolarHBondContact O-N 2.93Å; M200-F202 HydrophobicContact SD-CE1 3.88Å; M200-F202 HydrophobicContact SD-CZ 4.3Å; M200-L203 HydrophobicContact CB-CD1 4.25Å; M200-L203 HydrophobicContact CE-CD1 3.36Å; M200-L203 HydrophobicContact CE-CG 4.31Å; M200-L203 VanDerWaalsContact O-CB 3.29Å; M200-L203 WeakPolarHBondContact O-CB 3.32Å; M200-L203 PolarHBondContact O-N 3.27Å; M200-L203 HydrophobicContact SD-CD1 4.03Å; M200-L203 HydrophobicContact SD-CG 4.44Å
201E89.3Confident91.6Very high79 Ų7973 Ų7337%0.36938%0.382SS..THydrogen-bonded Turntrans-58.1-25.5-179-71.2-176.9-152.700113.1F2 N128 H129 S199 L203F2-E201 HydrophobicContact CB-CB 4.49Å; F2-E201 HydrophobicContact CD1-CB 3.87Å; F2-E201 HydrophobicContact CE1-CB 4.38Å; F2-E201 HydrophobicContact CG-CB 4.31Å; N128-E201 WeakPolarHBondContact CB-OE2 3.49Å; N128-E201 PolarHBondContact ND2-OE2 2.88Å; H129-E201 IonicContact CE1-OE1 3.26Å; H129-E201 PolarHBondContact CE1-OE1 3.44Å; H129-E201 VanDerWaalsContact CE1-OE1 3.26Å; H129-E201 IonicContact NE2-OE1 3.08Å; H129-E201 PolarHBondContact NE2-OE1 3.46Å; H129-E201 IonicContact NE2-OE2 2.74Å; S199-E201 WeakPolarHBondContact OG-CG 3.32Å; S199-E201 PolarHBondContact OG-N 3.04Å; E201-L203 PolarHBondContact O-N 3Å
202F88.2Confident91.3Very high14 Ų1467.1 Ų67.16%0.06137%0.369CS..Hα-helixtrans-66.7-22.3177.575.2-82.6000113F2 R108 S199 M200 R206F2-F202 HydrophobicContact CD1-CB 3.88Å; F2-F202 HydrophobicContact CE1-CB 4.39Å; R108-F202 HydrophobicContact CB-CD1 4.34Å; R108-F202 HydrophobicContact CB-CG 4.34Å; R108-F202 HydrophobicContact CG-CD1 4.41Å; R108-F202 HydrophobicContact CG-CG 4.47Å; R108-F202 VanDerWaalsContact NE-CE1 3.3Å; R108-F202 WeakPolarHBondContact O-CB 3.45Å; S199-F202 WeakPolarHBondContact O-CD1 3.03Å; S199-F202 VanDerWaalsContact O-CE1 3.25Å; S199-F202 WeakPolarHBondContact O-CE1 3.32Å; M200-F202 PolarHBondContact O-N 2.93Å; M200-F202 HydrophobicContact SD-CE1 3.88Å; M200-F202 HydrophobicContact SD-CZ 4.3Å; F202-R206 HydrophobicContact CD2-CG 4.44Å; F202-R206 WeakPolarHBondContact O-CG 3.3Å; F202-R206 PolarHBondContact O-N 2.94Å
203L89.2Confident90.9Very high77 Ų7769.5 Ų69.540%0.40339%0.39SS..Hα-helixtrans-66.6-40.7-177.8-72.8-176.6000112M200 E201 A205 R206 A207M200-L203 HydrophobicContact CB-CD1 4.25Å; M200-L203 HydrophobicContact CE-CD1 3.36Å; M200-L203 HydrophobicContact CE-CG 4.31Å; M200-L203 VanDerWaalsContact O-CB 3.29Å; M200-L203 WeakPolarHBondContact O-CB 3.32Å; M200-L203 PolarHBondContact O-N 3.27Å; M200-L203 HydrophobicContact SD-CD1 4.03Å; M200-L203 HydrophobicContact SD-CG 4.44Å; E201-L203 PolarHBondContact O-N 3Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 PolarHBondContact O-N 2.71Å; L203-R206 PolarHBondContact O-N 3.48Å; L203-R206 VanDerWaalsContact O-N 3.11Å; L203-A207 WeakPolarHBondContact O-CB 3.28Å; L203-A207 PolarHBondContact O-N 3.42Å
204L86.7Confident90.6Very high121 Ų12171.3 Ų71.363%0.63441%0.411SS*.Hα-helixtrans-59.3-48.317917961.7000110.8R206 A207 I208L204-R206 VanDerWaalsContact C-N 3.27Å; L204-R206 PolarHBondContact O-N 3.4Å; L204-A207 PolarHBondContact O-N 3.48Å; L204-I208 HydrophobicContact CD1-CD1 4.14Å; L204-I208 HydrophobicContact CD1-CG1 4.45Å; L204-I208 HydrophobicContact CG-CD1 4.06Å; L204-I208 WeakPolarHBondContact O-CG1 3.1Å; L204-I208 PolarHBondContact O-N 3.36Å
205A84.7Confident90.3Very high36 Ų3670.1 Ų70.130%0.29841%0.411SS..Hα-helixtrans-60.6-36.3176.700000112.4L203 A209L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 PolarHBondContact O-N 2.71Å; A205-A209 WeakPolarHBondContact O-CB 3.2Å; A205-A209 PolarHBondContact O-N 3.16Å; A205-A209 VanDerWaalsContact O-N 3.16Å
206R89.4Confident90.1Very high80 Ų8069 Ų6930%0.30241%0.411SS..Hα-helixtrans-70.9-43.5176.1-73.9-174.5-179.6178.57112.2G106 F202 L203 L204 I208 A209 I210G106-R206 PolarHBondContact O-NH2 3.39Å; F202-R206 HydrophobicContact CD2-CG 4.44Å; F202-R206 WeakPolarHBondContact O-CG 3.3Å; F202-R206 PolarHBondContact O-N 2.94Å; L203-R206 PolarHBondContact O-N 3.48Å; L203-R206 VanDerWaalsContact O-N 3.11Å; L204-R206 VanDerWaalsContact C-N 3.27Å; L204-R206 PolarHBondContact O-N 3.4Å; R206-I208 VanDerWaalsContact C-N 3.33Å; R206-I208 PolarHBondContact O-N 2.9Å; R206-A209 PolarHBondContact O-N 3.29Å; R206-I210 VanDerWaalsContact O-CG1 3.29Å; R206-I210 WeakPolarHBondContact O-CG1 3.36Å; R206-I210 PolarHBondContact O-N 2.89Å
207A89.3Confident89.8Confident56 Ų5670.3 Ų70.346%0.46343%0.425SS..Hα-helixtrans-59.8-45.1178.200000111.1L203 L204 A209 I210 A211L203-A207 WeakPolarHBondContact O-CB 3.28Å; L203-A207 PolarHBondContact O-N 3.42Å; L204-A207 PolarHBondContact O-N 3.48Å; A207-A209 PolarHBondContact O-N 2.87Å; A207-I210 PolarHBondContact O-N 3.17Å; A207-A211 WeakPolarHBondContact O-CB 3.34Å; A207-A211 PolarHBondContact O-N 3.11Å
208I88.3Confident89.7Confident98 Ų9869.5 Ų69.550%0.50343%0.432SS..Hα-helixtrans-59.5-46.3174.6-66.8167.2000110.8L204 R206 I210 A211 T212L204-I208 HydrophobicContact CD1-CD1 4.14Å; L204-I208 HydrophobicContact CD1-CG1 4.45Å; L204-I208 HydrophobicContact CG-CD1 4.06Å; L204-I208 WeakPolarHBondContact O-CG1 3.1Å; L204-I208 PolarHBondContact O-N 3.36Å; R206-I208 VanDerWaalsContact C-N 3.33Å; R206-I208 PolarHBondContact O-N 2.9Å; I208-I210 PolarHBondContact O-N 3.47Å; I208-A211 PolarHBondContact O-N 3.19Å; I208-T212 WeakPolarHBondContact O-CB 3.39Å; I208-T212 PolarHBondContact O-N 2.99Å; I208-T212 PolarHBondContact O-OG1 2.76Å
209A87.7Confident89.6Confident37 Ų3769.4 Ų69.431%0.30643%0.43SS..Hα-helixtrans-63-42.2179.900000112.5F103 A205 R206 A207 T212 A213F103-A209 HydrophobicContact CE1-CB 4.35Å; F103-A209 HydrophobicContact CZ-CB 3.8Å; A205-A209 WeakPolarHBondContact O-CB 3.2Å; A205-A209 PolarHBondContact O-N 3.16Å; A205-A209 VanDerWaalsContact O-N 3.16Å; R206-A209 PolarHBondContact O-N 3.29Å; A207-A209 PolarHBondContact O-N 2.87Å; A209-T212 PolarHBondContact O-N 3.43Å; A209-A213 WeakPolarHBondContact O-CB 3.4Å; A209-A213 PolarHBondContact O-N 3.25Å
210I89.4Confident89.6Confident121 Ų12174.5 Ų74.562%0.62146%0.456SS*.Hα-helixtrans-64.2-48.8177.1-68.5164.9000110.6R206 A207 I208 T212 A213 A214R206-I210 VanDerWaalsContact O-CG1 3.29Å; R206-I210 WeakPolarHBondContact O-CG1 3.36Å; R206-I210 PolarHBondContact O-N 2.89Å; A207-I210 PolarHBondContact O-N 3.17Å; I208-I210 PolarHBondContact O-N 3.47Å; I210-T212 VanDerWaalsContact C-N 3.31Å; I210-T212 PolarHBondContact O-N 3.4Å; I210-A213 PolarHBondContact O-N 2.84Å; I210-A214 WeakPolarHBondContact O-CB 3.39Å; I210-A214 PolarHBondContact O-N 3.16Å
211A91.1Very high89.7Confident65 Ų6574.8 Ų74.854%0.53746%0.459SS..Hα-helixtrans-60-42.2178.900000111.8A207 I208 A214 G215A207-A211 WeakPolarHBondContact O-CB 3.34Å; A207-A211 PolarHBondContact O-N 3.11Å; I208-A211 PolarHBondContact O-N 3.19Å; A211-A214 PolarHBondContact O-N 3.35Å; A211-G215 PolarHBondContact O-N 2.96Å
212T90.5Very high89.9Confident79 Ų7978.1 Ų78.149%0.48547%0.469SS..Hα-helixtrans-63.2-45.5177.3-52.30000111.5I208 A209 I210 G215 L216I208-T212 WeakPolarHBondContact O-CB 3.39Å; I208-T212 PolarHBondContact O-N 2.99Å; I208-T212 PolarHBondContact O-OG1 2.76Å; A209-T212 PolarHBondContact O-N 3.43Å; I210-T212 VanDerWaalsContact C-N 3.31Å; I210-T212 PolarHBondContact O-N 3.4Å; T212-G215 PolarHBondContact O-N 3.43Å; T212-L216 HydrophobicContact CG2-CD1 4.16Å; T212-L216 WeakPolarHBondContact O-CG 3.33Å; T212-L216 PolarHBondContact O-N 3.21Å
213A89.2Confident90.1Very high64 Ų6479.6 Ų79.653%0.52948%0.484SS..Hα-helixtrans-63.6-43.5178.400000111.9A209 I210 L216 G217A209-A213 WeakPolarHBondContact O-CB 3.4Å; A209-A213 PolarHBondContact O-N 3.25Å; I210-A213 PolarHBondContact O-N 2.84Å; A213-L216 PolarHBondContact O-N 3.25Å; A213-G217 PolarHBondContact O-N 2.84Å
214A90.9Very high90.2Very high68 Ų6878.7 Ų78.756%0.56249%0.488SS*.Hα-helixtrans-62.4-44176.900000111.9I210 A211 G217 G218I210-A214 WeakPolarHBondContact O-CB 3.39Å; I210-A214 PolarHBondContact O-N 3.16Å; A211-A214 PolarHBondContact O-N 3.35Å; A214-G217 PolarHBondContact O-N 3.26Å; A214-G218 PolarHBondContact O-N 3.39Å
215G92.1Very high90.5Very high39 Ų3980.6 Ų80.640%0.40249%0.491SS..Hα-helixtrans-62.4-45.6177.800000113.1A211 T212 G218 L219A211-G215 PolarHBondContact O-N 2.96Å; T212-G215 PolarHBondContact O-N 3.43Å; G215-G218 PolarHBondContact O-N 3.38Å; G215-L219 PolarHBondContact O-N 2.89Å
216L91.8Very high90.8Very high103 Ų10383.1 Ų83.154%0.53950%0.499SS..Hα-helixtrans-63.4-41.7176-73169.9000112.1T212 A213 G218 L219 L220T212-L216 HydrophobicContact CG2-CD1 4.16Å; T212-L216 WeakPolarHBondContact O-CG 3.33Å; T212-L216 PolarHBondContact O-N 3.21Å; A213-L216 PolarHBondContact O-N 3.25Å; L216-G218 PolarHBondContact O-N 3.33Å; L216-L219 PolarHBondContact O-N 3.06Å; L216-L220 WeakPolarHBondContact O-CG 3.43Å; L216-L220 PolarHBondContact O-N 3.1Å
217G90.1Very high90.9Very high31 Ų3186.7 Ų86.732%0.3252%0.523SS..Hα-helixtrans-60.8-43.3174.800000112.4A213 A214 L220 L221A213-G217 PolarHBondContact O-N 2.84Å; A214-G217 PolarHBondContact O-N 3.26Å; G217-L220 PolarHBondContact O-N 2.91Å; G217-L221 WeakPolarHBondContact O-CG 3.29Å; G217-L221 PolarHBondContact O-N 3.33Å
218G90.6Very high90.7Very high39 Ų3988.4 Ų88.440%0.40254%0.537SS..Hα-helixtrans-61.3-44.2175.500000113A214 G215 L216 L221 Y222A214-G218 PolarHBondContact O-N 3.39Å; G215-G218 PolarHBondContact O-N 3.38Å; L216-G218 PolarHBondContact O-N 3.33Å; G218-L221 PolarHBondContact O-N 3.06Å; G218-Y222 WeakPolarHBondContact O-CB 3.43Å; G218-Y222 PolarHBondContact O-N 2.95Å
219L91.3Very high90.1Very high115 Ų11590.3 Ų90.360%0.60256%0.559SS**Hα-helixtrans-61.5-43.6176.4-83.8159.1000112.4G215 L216 Y222 A223G215-L219 PolarHBondContact O-N 2.89Å; L216-L219 PolarHBondContact O-N 3.06Å; L219-Y222 PolarHBondContact O-N 2.93Å; L219-A223 WeakPolarHBondContact O-CB 3.29Å; L219-A223 PolarHBondContact O-N 2.79Å
220L92.1Very high90.2Very high127 Ų12793 Ų9367%0.66557%0.572SS**Hα-helixtrans-63.5-43177.3-74.2169.7000111.9L216 G217 Y222 A223 A224L216-L220 WeakPolarHBondContact O-CG 3.43Å; L216-L220 PolarHBondContact O-N 3.1Å; G217-L220 PolarHBondContact O-N 2.91Å; L220-Y222 VanDerWaalsContact C-N 3.34Å; L220-A223 PolarHBondContact O-N 3.26Å; L220-A224 WeakPolarHBondContact O-CB 3.41Å; L220-A224 PolarHBondContact O-N 3.27Å
221L92Very high90.2Very high122 Ų12291.5 Ų91.564%0.63957%0.569SS**Hα-helixtrans-64.5-39.2176.2-71.6172.8000112.1G217 G218 A224 K225G217-L221 WeakPolarHBondContact O-CG 3.29Å; G217-L221 PolarHBondContact O-N 3.33Å; G218-L221 PolarHBondContact O-N 3.06Å; L221-A224 PolarHBondContact O-N 2.95Å; L221-K225 WeakPolarHBondContact O-CG 3.25Å; L221-K225 PolarHBondContact O-N 3.05Å
222Y93.1Very high90.2Very high148 Ų14892.9 Ų92.958%0.5857%0.571SS**Hα-helixtrans-64.9-46175.5179.6-106.2000111.8G218 L219 L220 A224 K225 L226G218-Y222 WeakPolarHBondContact O-CB 3.43Å; G218-Y222 PolarHBondContact O-N 2.95Å; L219-Y222 PolarHBondContact O-N 2.93Å; L220-Y222 VanDerWaalsContact C-N 3.34Å; Y222-A224 VanDerWaalsContact C-N 3.35Å; Y222-A224 PolarHBondContact O-N 3.46Å; Y222-K225 PolarHBondContact O-N 3.01Å; Y222-L226 HydrophobicContact CD1-CD1 3.88Å; Y222-L226 HydrophobicContact CE1-CD1 3.33Å; Y222-L226 HydrophobicContact CE1-CG 4.18Å; Y222-L226 HydrophobicContact CE2-CD1 4.48Å; Y222-L226 PolarHBondContact O-N 3.3Å
223A91.8Very high90.2Very high46 Ų4693.8 Ų93.838%0.3858%0.576SS.*Hα-helixtrans-61.9-41.3175.600000112.1L219 L220 K225 L226 L227L219-A223 WeakPolarHBondContact O-CB 3.29Å; L219-A223 PolarHBondContact O-N 2.79Å; L220-A223 PolarHBondContact O-N 3.26Å; A223-K225 VanDerWaalsContact C-N 3.32Å; A223-K225 PolarHBondContact O-N 3.44Å; A223-L226 PolarHBondContact O-N 3.33Å; A223-L227 WeakPolarHBondContact O-CG 3.19Å; A223-L227 PolarHBondContact O-N 3.26Å
224A92.1Very high90.2Very high58 Ų5895.6 Ų95.648%0.47958%0.579SS.*Hα-helixtrans-62.3-38.6175.500000112.2L220 L221 Y222 L227 A228L220-A224 WeakPolarHBondContact O-CB 3.41Å; L220-A224 PolarHBondContact O-N 3.27Å; L221-A224 PolarHBondContact O-N 2.95Å; Y222-A224 VanDerWaalsContact C-N 3.35Å; Y222-A224 PolarHBondContact O-N 3.46Å; A224-L227 PolarHBondContact O-N 3.18Å; A224-A228 WeakPolarHBondContact O-CB 3.48Å; A224-A228 PolarHBondContact O-N 3.22Å; A224-A228 VanDerWaalsContact O-N 3.15Å
225K92.4Very high90.2Very high160 Ų16097.5 Ų97.570%0.69658%0.58SS**Hα-helixtrans-64.8-42.4173.7-79.2-175.4177.7-175.60112.5L221 Y222 A223 L227 A228 S229L221-K225 WeakPolarHBondContact O-CG 3.25Å; L221-K225 PolarHBondContact O-N 3.05Å; Y222-K225 PolarHBondContact O-N 3.01Å; A223-K225 VanDerWaalsContact C-N 3.32Å; A223-K225 PolarHBondContact O-N 3.44Å; K225-L227 VanDerWaalsContact C-N 3.32Å; K225-L227 PolarHBondContact O-N 3.43Å; K225-A228 PolarHBondContact O-N 2.81Å; K225-S229 PolarHBondContact O-N 3.41Å; K225-S229 PolarHBondContact O-OG 2.96Å
226L91.5Very high90.1Very high90 Ų90101.6 Ų101.647%0.47159%0.593SS.*Hα-helixtrans-65.9-31.8177.6-77.6172.9000113.4Y222 A223 A228 S229Y222-L226 HydrophobicContact CD1-CD1 3.88Å; Y222-L226 HydrophobicContact CE1-CD1 3.33Å; Y222-L226 HydrophobicContact CE1-CG 4.18Å; Y222-L226 HydrophobicContact CE2-CD1 4.48Å; Y222-L226 PolarHBondContact O-N 3.3Å; A223-L226 PolarHBondContact O-N 3.33Å; L226-A228 VanDerWaalsContact C-N 3.34Å; L226-S229 PolarHBondContact O-OG 2.89Å
227L90.7Very high89.9Confident155 Ų155101.5 Ų101.581%0.81260%0.597SS**Hα-helixtrans-78.7-20.8175.7-71.2169.8000112.9A223 A224 K225A223-L227 WeakPolarHBondContact O-CG 3.19Å; A223-L227 PolarHBondContact O-N 3.26Å; A224-L227 PolarHBondContact O-N 3.18Å; K225-L227 VanDerWaalsContact C-N 3.32Å; K225-L227 PolarHBondContact O-N 3.43Å
228A86.1Confident89.9Confident91 Ų91107.4 Ų107.475%0.75262%0.62SS**  trans-90.9-7.3177.700000113.4A224 K225 L226A224-A228 WeakPolarHBondContact O-CB 3.48Å; A224-A228 PolarHBondContact O-N 3.22Å; A224-A228 VanDerWaalsContact O-N 3.15Å; K225-A228 PolarHBondContact O-N 2.81Å; L226-A228 VanDerWaalsContact C-N 3.34Å
229S75.3Confident89.9Confident138 Ų138113.6 Ų113.697%0.96564%0.64SS**  trans-100.70173.6610000111.2K225 L226K225-S229 PolarHBondContact O-N 3.41Å; K225-S229 PolarHBondContact O-OG 2.96Å; L226-S229 PolarHBondContact O-OG 2.89Å

Retrieved 229 of 229 residues in 1611.8 ms (Link to these results)

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