A0A077Z2D3_TRITR Loading...

GPN-loop GTPase 2

Small GTPase required for proper localization of RNA polymerase II and III (RNAPII and RNAPIII). May act at an RNAP assembly step prior to nuclear import.

AlphaFold DB , UniProt , Accession A0A077Z2D3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 253 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
1M33.7Very low56.2Low250 Ų250123.3 Ų123.3100%1.23264%0.637SS**  079.30-73.7172.4163.700108.6
2S39Very low59.6Low117 Ų117113.2 Ų113.282%0.81859%0.586SS**  trans-90.4115.6161.854.10000105.8N4S2-N4 PolarHBondContact O-N 3.47Å
3S44.1Very low62.5Low83 Ų83105.5 Ų105.558%0.5855%0.546SS*.  trans-45.3136.8176.742.50000111R5S3-R5 PolarHBondContact O-N 3.33Å
4N42.4Very low65Low166 Ų16698 Ų9889%0.88851%0.507SS*.  trans-56.878.3154.8-82.8-9.4000107.4S2 W6S2-N4 PolarHBondContact O-N 3.47Å; N4-W6 PolarHBondContact O-N 2.7Å
5R41Very low67Low212 Ų21291.5 Ų91.580%0.847%0.473SS*.  trans-66.4122.8161-65.7-173.5-154.2-160.25.2103.6S3S3-R5 PolarHBondContact O-N 3.33Å
6W40.5Very low68.8Low195 Ų19585.8 Ų85.874%0.73944%0.443SS*.  trans-42.8136.5163.1-78.139.6000107.8N4 S8N4-W6 PolarHBondContact O-N 2.7Å; W6-S8 PolarHBondContact O-N 3.13Å; W6-S8 VanDerWaalsContact O-N 3.13Å
7P48.5Very low70.1Confident111 Ų11180.8 Ų80.872%0.72142%0.419SS*.  trans-47.9130.4171.721.2-30.2000106.5S9P7-S9 VanDerWaalsContact C-N 3.28Å; P7-S9 WeakPolarHBondContact O-CA 3.43Å; P7-S9 PolarHBondContact O-N 2.65Å
8S59.6Low71.3Confident83 Ų8378.3 Ų78.358%0.5841%0.408SS*.  trans-5592.8-167.348.50000110.1W6 V10 K111W6-S8 PolarHBondContact O-N 3.13Å; W6-S8 VanDerWaalsContact O-N 3.13Å; S8-V10 PolarHBondContact O-N 3Å; S8-K111 PolarHBondContact OG-NZ 3.27Å
9S81.5Confident72.2Confident24 Ų2478.5 Ų78.517%0.16841%0.414CS..  trans-74.9126.1-165.954.90000108.2P7 Y11P7-S9 VanDerWaalsContact C-N 3.28Å; P7-S9 WeakPolarHBondContact O-CA 3.43Å; P7-S9 PolarHBondContact O-N 2.65Å; S9-Y11 WeakPolarHBondContact O-CD2 3.09Å; S9-Y11 WeakPolarHBondContact O-CE2 3.36Å; S9-Y11 WeakPolarHBondContact OG-CE2 3.36Å; S9-Y11 VanDerWaalsContact OG-CZ 3.23Å; S9-Y11 PolarHBondContact OG-OH 3.42Å
10V92.2Very high73Confident15 Ų1577.4 Ų77.49%0.09142%0.423CS..EExtended strand (participates in β ladder)trans-80134.9171.9179.10000107.7S8 L104 I113 C143 H144S8-V10 PolarHBondContact O-N 3Å; V10-L104 HydrophobicContact CG2-CD1 4.3Å; V10-I113 HydrophobicContact CG1-CD1 3.67Å; V10-I113 HydrophobicContact CG1-CG1 3.87Å; V10-C143 HydrophobicContact CB-CB 3.86Å; V10-C143 HydrophobicContact CG1-CB 4.01Å; V10-C143 CarbonylContact O-C 3.53Å; V10-C143 WeakPolarHBondContact O-CA 3.45Å; V10-C143 VanDerWaalsContact O-CB 3.28Å; V10-C143 WeakPolarHBondContact O-CB 3.46Å; V10-H144 PolarHBondContact O-N 3.13Å
11Y95.7Very high73.8Confident100 Ų10073.7 Ų73.739%0.39240%0.402SS..EExtended strand (participates in β ladder)trans-110.4152.6173.9-63.4-89000109.4S9 K111 Y112 I113 H144S9-Y11 WeakPolarHBondContact O-CD2 3.09Å; S9-Y11 WeakPolarHBondContact O-CE2 3.36Å; S9-Y11 WeakPolarHBondContact OG-CE2 3.36Å; S9-Y11 VanDerWaalsContact OG-CZ 3.23Å; S9-Y11 PolarHBondContact OG-OH 3.42Å; Y11-K111 PolarHBondContact N-O 3.43Å; Y11-Y112 CarbonylContact O-C 3.57Å; Y11-Y112 VanDerWaalsContact O-CA 3.28Å; Y11-Y112 WeakPolarHBondContact O-CA 3.43Å; Y11-I113 PolarHBondContact O-N 3.17Å; Y11-H144 CarbonylContact C-O 3.58Å; Y11-H144 WeakPolarHBondContact CA-O 3.16Å; Y11-H144 HydrophobicContact CD1-CB 3.95Å; Y11-H144 HydrophobicContact CE1-CB 4.22Å
12G96.6Very high76.6Confident2 Ų262.7 Ų62.72%0.02135%0.354CS..EExtended strand (participates in β ladder)trans-145.7152.5172.400000114.8I113 H144 L145 V146G12-I113 CarbonylContact C-O 3.09Å; G12-I113 WeakPolarHBondContact CA-O 3.41Å; G12-H144 PolarHBondContact N-O 3.2Å; G12-L145 WeakPolarHBondContact O-CA 3.3Å; G12-V146 PolarHBondContact O-N 3.26Å
13Q97.6Very high79.2Confident14 Ų1457.7 Ų57.77%0.06532%0.317CS..EExtended strand (participates in β ladder)trans-105.4130.7169.3-58.517513.200109.4V15 Y26 Y112 I113 L114 F115 V146 V148Q13-V15 HydrophobicContact CB-CG2 4.31Å; Q13-Y26 VanDerWaalsContact OE1-CE1 3.32Å; Q13-Y26 PolarHBondContact OE1-OH 3Å; Q13-Y112 HydrophobicContact CG-CE1 3.69Å; Q13-Y112 WeakPolarHBondContact CG-OH 3.47Å; Q13-Y112 PolarHBondContact NE2-OH 2.86Å; Q13-I113 PolarHBondContact N-O 2.9Å; Q13-L114 HydrophobicContact CB-CD2 3.65Å; Q13-L114 VanDerWaalsContact CD-CD2 3.48Å; Q13-L114 HydrophobicContact CG-CD2 3.8Å; Q13-F115 PolarHBondContact O-N 2.84Å; Q13-V146 CarbonylContact C-O 3.26Å; Q13-V146 VanDerWaalsContact CA-O 3.3Å; Q13-V146 WeakPolarHBondContact CA-O 3.42Å; Q13-V148 HydrophobicContact CB-CG2 4.11Å; Q13-V148 HydrophobicContact CG-CG2 4.21Å
14V97.1Very high81.5Confident0 Ų055.4 Ų55.40%030%0.3CS..EExtended strand (participates in β ladder)trans-102.2105.8172.9175.40000106.3I16 F115 L117 L134 L145 V146 C147 V148 L178V14-I16 HydrophobicContact CG1-CG2 3.97Å; V14-F115 HydrophobicContact CG2-CD2 4.33Å; V14-L117 HydrophobicContact CB-CD1 4.34Å; V14-L117 HydrophobicContact CG1-CD1 3.43Å; V14-L117 VanDerWaalsContact CG1-CD1 3.43Å; V14-L117 HydrophobicContact CG1-CD2 4.21Å; V14-L117 HydrophobicContact CG1-CG 4.48Å; V14-L134 HydrophobicContact CB-CD2 4.36Å; V14-L134 HydrophobicContact CG1-CD1 3.69Å; V14-L134 HydrophobicContact CG1-CD2 3.76Å; V14-L134 HydrophobicContact CG1-CG 4.38Å; V14-L134 HydrophobicContact CG2-CD1 4.43Å; V14-L134 HydrophobicContact CG2-CD2 3.6Å; V14-L145 HydrophobicContact CG2-CB 4.07Å; V14-L145 HydrophobicContact CG2-CD1 3.78Å; V14-L145 HydrophobicContact CG2-CD2 4.24Å; V14-L145 HydrophobicContact CG2-CG 4.24Å; V14-V146 PolarHBondContact N-O 2.92Å; V14-C147 CarbonylContact O-C 3.59Å; V14-C147 WeakPolarHBondContact O-CA 3.33Å; V14-V148 PolarHBondContact O-N 3.37Å; V14-L178 HydrophobicContact CG2-CD1 4.31Å
15V96.2Very high83.8Confident0 Ų050.5 Ų50.50%028%0.276CS..EExtended strand (participates in β ladder)trans-95.8113.6-173.3-172.80000109.2Q13 K23 Y26 C27 F115 L117 V148 V150Q13-V15 HydrophobicContact CB-CG2 4.31Å; V15-K23 HydrophobicContact CG1-CB 3.87Å; V15-K23 HydrophobicContact CG1-CG 4.04Å; V15-Y26 HydrophobicContact CB-CD1 4.48Å; V15-Y26 HydrophobicContact CG1-CD1 3.8Å; V15-Y26 HydrophobicContact CG1-CE1 4.35Å; V15-Y26 HydrophobicContact CG2-CD1 3.82Å; V15-Y26 HydrophobicContact CG2-CE1 3.72Å; V15-C27 WeakPolarHBondContact CG2-SG 3.39Å; V15-F115 WeakPolarHBondContact CB-O 3.35Å; V15-F115 PolarHBondContact N-O 3.03Å; V15-L117 WeakPolarHBondContact O-CB 3.36Å; V15-L117 PolarHBondContact O-N 3.17Å; V15-V148 WeakPolarHBondContact CA-O 3.38Å; V15-V148 HydrophobicContact CG2-CB 4.4Å; V15-V150 HydrophobicContact CG1-CG2 3.74Å
16I94.7Very high86.4Confident0 Ų041.3 Ų41.30%024%0.241CC..EExtended strand (participates in β ladder)trans-123.3170-178.171.4169000110.9V14 K23 L117 Y124 C147 V148 H149 V150 L176V14-I16 HydrophobicContact CG1-CG2 3.97Å; I16-K23 VanDerWaalsContact C-CD 3.45Å; I16-L117 HydrophobicContact CG2-CB 4.37Å; I16-L117 HydrophobicContact CG2-CD1 4.37Å; I16-L117 HydrophobicContact CG2-CD2 4.31Å; I16-Y124 HydrophobicContact CB-CD1 4.32Å; I16-Y124 HydrophobicContact CB-CE1 3.83Å; I16-Y124 HydrophobicContact CB-CE2 4.28Å; I16-Y124 HydrophobicContact CG2-CD1 4.01Å; I16-Y124 HydrophobicContact CG2-CE1 3.38Å; I16-C147 WeakPolarHBondContact CD1-SG 3.09Å; I16-C147 VanDerWaalsContact CG1-SG 3.56Å; I16-V148 PolarHBondContact N-O 2.74Å; I16-H149 HydrophobicContact CD1-CB 4.3Å; I16-H149 HydrophobicContact CG1-CB 4.01Å; I16-V150 PolarHBondContact O-N 2.91Å; I16-L176 HydrophobicContact CD1-CD1 3.69Å; I16-L176 HydrophobicContact CG2-CD1 4.44Å
17G92.1Very high88.9Confident2 Ų232 Ų322%0.02121%0.206CC..  trans138.8165.8177.900000113.2K23 V150G17-K23 WeakPolarHBondContact O-CD 3.39Å; G17-K23 WeakPolarHBondContact O-CE 2.86Å; G17-K23 PolarHBondContact O-NZ 2.93Å; G17-V150 WeakPolarHBondContact CA-O 3.31Å
18P90.4Very high91.1Very high35 Ų3528.6 Ų28.623%0.22718%0.18CC..SBendtrans-63.4167.8-172.824.3-32.2000113S21 K23 G119P18-S21 WeakPolarHBondContact O-CB 3.42Å; P18-S21 PolarHBondContact O-N 2.8Å; P18-S21 PolarHBondContact O-OG 3.32Å; P18-K23 PolarHBondContact O-NZ 3.41Å; P18-G119 CarbonylContact C-O 3.6Å; P18-G119 VanDerWaalsContact C-O 3.29Å; P18-G119 VanDerWaalsContact CA-O 3.31Å; P18-G119 WeakPolarHBondContact CA-O 3.48Å
19P88.5Confident92.7Very high82 Ų8225.7 Ų25.753%0.53216%0.161SC..THydrogen-bonded Turntrans-60.1143175.6-19.734.4000110.3S21 G119P19-S21 PolarHBondContact O-N 2.95Å; P19-S21 VanDerWaalsContact O-N 3.16Å; P19-G119 WeakPolarHBondContact CD-O 3.18Å; P19-G119 WeakPolarHBondContact CG-O 3.37Å; P19-G119 VanDerWaalsContact N-O 3.13Å
20G88.4Confident93.3Very high56 Ų5626.3 Ų26.358%0.57716%0.161SC*.THydrogen-bonded Turntrans72.4-0.2179.300000115.8G22 K186G20-G22 PolarHBondContact O-N 2.91Å; G20-K186 WeakPolarHBondContact O-CE 3.47Å; G20-K186 PolarHBondContact O-NZ 3.32Å
21S91Very high93.4Very high0 Ų027.3 Ų27.30%016%0.164CC..SBendtrans-69.4-11.9177.273.40000114.1P18 P19 V150 S185P18-S21 WeakPolarHBondContact O-CB 3.42Å; P18-S21 PolarHBondContact O-N 2.8Å; P18-S21 PolarHBondContact O-OG 3.32Å; P19-S21 PolarHBondContact O-N 2.95Å; P19-S21 VanDerWaalsContact O-N 3.16Å; S21-V150 WeakPolarHBondContact CB-O 3.48Å; S21-V150 VanDerWaalsContact O-CG1 3.27Å; S21-V150 WeakPolarHBondContact O-CG1 3.47Å; S21-V150 PolarHBondContact OG-O 3.15Å; S21-S185 VanDerWaalsContact O-CB 3.29Å; S21-S185 WeakPolarHBondContact O-CB 3.39Å; S21-S185 PolarHBondContact O-OG 3.29Å
22G91.2Very high93.3Very high20 Ų2026 Ų2621%0.20617%0.167CC..  trans9221.417800000115.2G20 T24 T25 Y26G20-G22 PolarHBondContact O-N 2.91Å; G22-T24 PolarHBondContact O-N 3.22Å; G22-T25 WeakPolarHBondContact O-CB 3.39Å; G22-T25 PolarHBondContact O-N 2.94Å; G22-Y26 WeakPolarHBondContact O-CB 3.45Å; G22-Y26 PolarHBondContact O-N 2.88Å
23K93.1Very high93.2Very high12 Ų1231.8 Ų31.85%0.05219%0.192CC..Hα-helixtrans-49.8-56.6174.3-64-178.8-64.1-62.90113.4V15 I16 G17 P18 T25 Y26 C27 L117 V150V15-K23 HydrophobicContact CG1-CB 3.87Å; V15-K23 HydrophobicContact CG1-CG 4.04Å; I16-K23 VanDerWaalsContact C-CD 3.45Å; G17-K23 WeakPolarHBondContact O-CD 3.39Å; G17-K23 WeakPolarHBondContact O-CE 2.86Å; G17-K23 PolarHBondContact O-NZ 2.93Å; P18-K23 PolarHBondContact O-NZ 3.41Å; K23-T25 VanDerWaalsContact C-N 3.31Å; K23-T25 PolarHBondContact O-N 3.17Å; K23-Y26 CarbonylContact O-C 3.39Å; K23-Y26 WeakPolarHBondContact O-CA 3.28Å; K23-Y26 VanDerWaalsContact O-CB 3.28Å; K23-Y26 WeakPolarHBondContact O-CB 3.21Å; K23-Y26 PolarHBondContact O-N 3.33Å; K23-Y26 VanDerWaalsContact O-N 3.07Å; K23-C27 PolarHBondContact O-N 3.43Å; K23-C27 PolarHBondContact O-SG 3.39Å; K23-C27 VanDerWaalsContact O-SG 3.32Å; K23-L117 WeakPolarHBondContact CE-O 3.22Å; K23-V150 HydrophobicContact CG-CB 4.3Å
24T92.6Very high93.1Very high35 Ų3531.4 Ų31.422%0.21519%0.19CC..Hα-helixtrans-60.6-40.7179.9-57.70000112.1G22 Y26 C27 K28 Y57 D116G22-T24 PolarHBondContact O-N 3.22Å; T24-Y26 VanDerWaalsContact C-N 3.34Å; T24-Y26 PolarHBondContact O-N 3.07Å; T24-C27 PolarHBondContact O-N 3.49Å; T24-K28 HydrophobicContact CG2-CD 4.15Å; T24-K28 VanDerWaalsContact O-CG 3.27Å; T24-K28 WeakPolarHBondContact O-CG 3.36Å; T24-K28 PolarHBondContact O-N 3.17Å; T24-Y57 WeakPolarHBondContact CG2-OH 3.35Å; T24-D116 VanDerWaalsContact CA-OD2 3.23Å; T24-D116 WeakPolarHBondContact CA-OD2 3.44Å; T24-D116 VanDerWaalsContact CB-OD2 3.28Å; T24-D116 WeakPolarHBondContact CB-OD2 3.37Å; T24-D116 PolarHBondContact OG1-OD2 3.04Å
25T92.2Very high92.9Very high62 Ų6234.7 Ų34.738%0.3821%0.21SC..Hα-helixtrans-60.4-44.8174.1-52.40000111.3G22 K23 A29 V252G22-T25 WeakPolarHBondContact O-CB 3.39Å; G22-T25 PolarHBondContact O-N 2.94Å; K23-T25 VanDerWaalsContact C-N 3.31Å; K23-T25 PolarHBondContact O-N 3.17Å; T25-A29 WeakPolarHBondContact O-CB 3.2Å; T25-A29 PolarHBondContact O-N 2.92Å; T25-V252 HydrophobicContact CG2-CG2 3.7Å
26Y94.2Very high92.7Very high19 Ų1941.9 Ų41.98%0.07524%0.244CC..Hα-helixtrans-59.8-50.3174.7171-90.5000111.6Q13 V15 G22 K23 T24 K28 A29 M30 V148 V150 L248Q13-Y26 VanDerWaalsContact OE1-CE1 3.32Å; Q13-Y26 PolarHBondContact OE1-OH 3Å; V15-Y26 HydrophobicContact CB-CD1 4.48Å; V15-Y26 HydrophobicContact CG1-CD1 3.8Å; V15-Y26 HydrophobicContact CG1-CE1 4.35Å; V15-Y26 HydrophobicContact CG2-CD1 3.82Å; V15-Y26 HydrophobicContact CG2-CE1 3.72Å; G22-Y26 WeakPolarHBondContact O-CB 3.45Å; G22-Y26 PolarHBondContact O-N 2.88Å; K23-Y26 CarbonylContact O-C 3.39Å; K23-Y26 WeakPolarHBondContact O-CA 3.28Å; K23-Y26 VanDerWaalsContact O-CB 3.28Å; K23-Y26 WeakPolarHBondContact O-CB 3.21Å; K23-Y26 PolarHBondContact O-N 3.33Å; K23-Y26 VanDerWaalsContact O-N 3.07Å; T24-Y26 VanDerWaalsContact C-N 3.34Å; T24-Y26 PolarHBondContact O-N 3.07Å; Y26-K28 VanDerWaalsContact C-N 3.32Å; Y26-K28 PolarHBondContact O-N 3.43Å; Y26-A29 PolarHBondContact O-N 3.47Å; Y26-M30 HydrophobicContact CE1-CB 4.31Å; Y26-M30 HydrophobicContact CE1-CG 4.45Å; Y26-M30 HydrophobicContact CE2-CE 3.8Å; Y26-M30 WeakPolarHBondContact O-CB 3.47Å; Y26-M30 PolarHBondContact O-N 3.45Å; Y26-M30 VanDerWaalsContact OH-CE 3.3Å; Y26-M30 WeakPolarHBondContact OH-CE 3.5Å; Y26-V148 HydrophobicContact CE1-CB 4.31Å; Y26-V148 HydrophobicContact CE1-CG1 3.96Å; Y26-V148 HydrophobicContact CE1-CG2 4.39Å; Y26-V148 HydrophobicContact CE2-CG1 4.3Å; Y26-V150 HydrophobicContact CG-CG2 4.37Å; Y26-L248 HydrophobicContact CD2-CD2 3.43Å; Y26-L248 VanDerWaalsContact CD2-CD2 3.43Å; Y26-L248 HydrophobicContact CE2-CD2 3.61Å
27C94.6Very high92.6Very high0 Ų045.2 Ų45.20%027%0.267CS..Hα-helixtrans-56.8-45.2-179.6-72.10000112.1V15 K23 T24 K31 L43 L114 D116V15-C27 WeakPolarHBondContact CG2-SG 3.39Å; K23-C27 PolarHBondContact O-N 3.43Å; K23-C27 PolarHBondContact O-SG 3.39Å; K23-C27 VanDerWaalsContact O-SG 3.32Å; T24-C27 PolarHBondContact O-N 3.49Å; C27-K31 WeakPolarHBondContact O-CB 3.19Å; C27-K31 PolarHBondContact O-N 2.99Å; C27-L43 HydrophobicContact CB-CD1 3.7Å; C27-L114 WeakPolarHBondContact O-CD1 3.48Å; C27-D116 HydrophobicContact CB-CB 4.43Å
28K93.3Very high92.6Very high40 Ų4048.4 Ų48.417%0.17430%0.3CS..Hα-helixtrans-64.1-50.9177.8-68.7172.2176.7-146.90111.9T24 Y26 M30 K31 V32 L43 E56 V252T24-K28 HydrophobicContact CG2-CD 4.15Å; T24-K28 VanDerWaalsContact O-CG 3.27Å; T24-K28 WeakPolarHBondContact O-CG 3.36Å; T24-K28 PolarHBondContact O-N 3.17Å; Y26-K28 VanDerWaalsContact C-N 3.32Å; Y26-K28 PolarHBondContact O-N 3.43Å; K28-M30 VanDerWaalsContact C-N 3.32Å; K28-M30 PolarHBondContact O-N 2.83Å; K28-K31 PolarHBondContact O-N 2.75Å; K28-V32 PolarHBondContact O-N 3.2Å; K28-L43 HydrophobicContact CG-CD2 4.42Å; K28-E56 WeakPolarHBondContact CD-OE2 3.39Å; K28-E56 WeakPolarHBondContact CE-OE2 3.33Å; K28-E56 IonicContact NZ-OE2 2.73Å; K28-E56 PolarHBondContact NZ-OE2 2.7Å; K28-V252 HydrophobicContact CB-CG2 4.36Å
29A93.3Very high92.7Very high22 Ų2254 Ų5418%0.18232%0.317CS..Hα-helixtrans-62-40.7178.500000112T25 Y26 V32 F33 A250 V252T25-A29 WeakPolarHBondContact O-CB 3.2Å; T25-A29 PolarHBondContact O-N 2.92Å; Y26-A29 PolarHBondContact O-N 3.47Å; A29-V32 PolarHBondContact O-N 3.42Å; A29-F33 WeakPolarHBondContact O-CB 3.24Å; A29-F33 PolarHBondContact O-N 3.03Å; A29-A250 HydrophobicContact CB-CB 4.3Å; A29-V252 HydrophobicContact CB-CG2 4.39Å
30M94.8Very high92.9Very high36 Ų3653.4 Ų53.418%0.17731%0.307CS..Hα-helixtrans-66.1-40.3178.2-176.156.171.900111.8Y26 K28 V32 F33 L34 L114Y26-M30 HydrophobicContact CE1-CB 4.31Å; Y26-M30 HydrophobicContact CE1-CG 4.45Å; Y26-M30 HydrophobicContact CE2-CE 3.8Å; Y26-M30 WeakPolarHBondContact O-CB 3.47Å; Y26-M30 PolarHBondContact O-N 3.45Å; Y26-M30 VanDerWaalsContact OH-CE 3.3Å; Y26-M30 WeakPolarHBondContact OH-CE 3.5Å; K28-M30 VanDerWaalsContact C-N 3.32Å; K28-M30 PolarHBondContact O-N 2.83Å; M30-V32 VanDerWaalsContact C-N 3.34Å; M30-V32 PolarHBondContact O-N 2.89Å; M30-F33 PolarHBondContact O-N 3.31Å; M30-F33 HydrophobicContact SD-CD1 3.98Å; M30-L34 HydrophobicContact CG-CD1 3.74Å; M30-L34 HydrophobicContact CG-CG 4.19Å; M30-L34 WeakPolarHBondContact O-CB 3.47Å; M30-L34 VanDerWaalsContact O-CG 3.26Å; M30-L34 WeakPolarHBondContact O-CG 3.49Å; M30-L34 PolarHBondContact O-N 3.45Å; M30-L34 HydrophobicContact SD-CD1 3.84Å; M30-L34 HydrophobicContact SD-CD2 4.24Å; M30-L34 HydrophobicContact SD-CG 3.74Å; M30-L114 HydrophobicContact CB-CD1 4.05Å; M30-L114 HydrophobicContact CG-CD1 3.98Å; M30-L114 HydrophobicContact CG-CD2 3.97Å
31K94.9Very high93.3Very high36 Ų3651 Ų5116%0.15728%0.281CS..Hα-helixtrans-57.3-48.4174.7-170.3-168.8-166.9175.10111C27 K28 T35 T41 L43 E56 D58 L114C27-K31 WeakPolarHBondContact O-CB 3.19Å; C27-K31 PolarHBondContact O-N 2.99Å; K28-K31 PolarHBondContact O-N 2.75Å; K31-T35 VanDerWaalsContact O-CB 3.27Å; K31-T35 WeakPolarHBondContact O-CB 3.39Å; K31-T35 PolarHBondContact O-N 2.94Å; K31-T35 PolarHBondContact O-OG1 3.38Å; K31-T41 WeakPolarHBondContact CE-O 3.33Å; K31-L43 HydrophobicContact CD-CB 3.69Å; K31-L43 HydrophobicContact CD-CD2 4.02Å; K31-L43 HydrophobicContact CD-CG 4.5Å; K31-L43 HydrophobicContact CG-CB 4.3Å; K31-E56 PolarHBondContact NZ-O 2.87Å; K31-D58 VanDerWaalsContact CE-OD2 3.26Å; K31-D58 WeakPolarHBondContact CE-OD2 3.45Å; K31-D58 IonicContact NZ-OD1 3.05Å; K31-D58 IonicContact NZ-OD2 3.98Å; K31-D58 PolarHBondContact NZ-OD2 2.78Å; K31-L114 HydrophobicContact CB-CD1 3.98Å
32V93.6Very high93.5Very high73 Ų7351.1 Ų51.144%0.44228%0.282SS..Hα-helixtrans-60.8-53.1178.1174.60000110.2K28 A29 M30 L34 T35 E36K28-V32 PolarHBondContact O-N 3.2Å; A29-V32 PolarHBondContact O-N 3.42Å; M30-V32 VanDerWaalsContact C-N 3.34Å; M30-V32 PolarHBondContact O-N 2.89Å; V32-L34 PolarHBondContact O-N 2.84Å; V32-T35 PolarHBondContact O-N 2.79Å; V32-E36 HydrophobicContact CG1-CG 4.24Å; V32-E36 WeakPolarHBondContact O-CB 3.47Å; V32-E36 WeakPolarHBondContact O-CG 3.33Å; V32-E36 PolarHBondContact O-N 3.4Å
33F93.8Very high93.8Very high124 Ų12450.1 Ų50.154%0.54427%0.272SS..Hα-helixtrans-55.7-46.3-179.3173.1-101.2000113.1A29 M30 S37A29-F33 WeakPolarHBondContact O-CB 3.24Å; A29-F33 PolarHBondContact O-N 3.03Å; M30-F33 PolarHBondContact O-N 3.31Å; M30-F33 HydrophobicContact SD-CD1 3.98Å; F33-S37 WeakPolarHBondContact O-CB 3.46Å; F33-S37 PolarHBondContact O-N 3.36Å; F33-S37 PolarHBondContact O-OG 3.43Å
34L94.3Very high94Very high5 Ų549.6 Ų49.63%0.02627%0.269CS..Hα-helixtrans-66.5-44.2178.8-71.1171.3000111.4M30 V32 S37 G38 R39 T41 Y112 L114M30-L34 HydrophobicContact CG-CD1 3.74Å; M30-L34 HydrophobicContact CG-CG 4.19Å; M30-L34 WeakPolarHBondContact O-CB 3.47Å; M30-L34 VanDerWaalsContact O-CG 3.26Å; M30-L34 WeakPolarHBondContact O-CG 3.49Å; M30-L34 PolarHBondContact O-N 3.45Å; M30-L34 HydrophobicContact SD-CD1 3.84Å; M30-L34 HydrophobicContact SD-CD2 4.24Å; M30-L34 HydrophobicContact SD-CG 3.74Å; V32-L34 PolarHBondContact O-N 2.84Å; L34-S37 CarbonylContact O-C 3.51Å; L34-S37 WeakPolarHBondContact O-CA 3.17Å; L34-S37 WeakPolarHBondContact O-CB 3.48Å; L34-S37 PolarHBondContact O-N 3.42Å; L34-S37 VanDerWaalsContact O-N 3.13Å; L34-G38 PolarHBondContact O-N 3.34Å; L34-R39 CarbonylContact C-O 3.41Å; L34-R39 VanDerWaalsContact C-O 3.26Å; L34-R39 HydrophobicContact CB-CB 4.2Å; L34-R39 HydrophobicContact CD2-CB 4.48Å; L34-R39 CarbonylContact O-C 3.54Å; L34-R39 WeakPolarHBondContact O-CA 3.48Å; L34-R39 WeakPolarHBondContact O-CB 2.98Å; L34-R39 PolarHBondContact O-N 2.81Å; L34-T41 WeakPolarHBondContact CB-OG1 3.49Å; L34-T41 HydrophobicContact CD1-CG2 4.16Å; L34-Y112 HydrophobicContact CD1-CD1 3.39Å; L34-Y112 HydrophobicContact CD1-CE1 3.44Å; L34-Y112 VanDerWaalsContact CD1-CE1 3.44Å; L34-Y112 HydrophobicContact CD1-CG 4.16Å; L34-L114 HydrophobicContact CD1-CD2 4.41Å
35T92.9Very high94.1Very high69 Ų6947.9 Ų47.942%0.42326%0.259SS..Hα-helixtrans-63.7-44.9-179.5-56.60000111.2K31 V32 S37 G38 R39K31-T35 VanDerWaalsContact O-CB 3.27Å; K31-T35 WeakPolarHBondContact O-CB 3.39Å; K31-T35 PolarHBondContact O-N 2.94Å; K31-T35 PolarHBondContact O-OG1 3.38Å; V32-T35 PolarHBondContact O-N 2.79Å; T35-S37 PolarHBondContact O-N 3.19Å; T35-G38 PolarHBondContact O-N 2.98Å; T35-R39 PolarHBondContact N-O 3.12Å
36E93.2Very high94.2Very high151 Ų15145.1 Ų45.171%0.70624%0.242SC*.Hα-helixtrans-63.5-29.2174.7-70.9-176.5165.700112.5V32 G38V32-E36 HydrophobicContact CG1-CG 4.24Å; V32-E36 WeakPolarHBondContact O-CB 3.47Å; V32-E36 WeakPolarHBondContact O-CG 3.33Å; V32-E36 PolarHBondContact O-N 3.4Å; E36-G38 PolarHBondContact O-N 3.3Å
37S93.2Very high94.2Very high70 Ų7045.3 Ų45.349%0.4924%0.244SC..THydrogen-bonded Turntrans-80.39.1173.3-57.80000113.7F33 L34 T35 R39F33-S37 WeakPolarHBondContact O-CB 3.46Å; F33-S37 PolarHBondContact O-N 3.36Å; F33-S37 PolarHBondContact O-OG 3.43Å; L34-S37 CarbonylContact O-C 3.51Å; L34-S37 WeakPolarHBondContact O-CA 3.17Å; L34-S37 WeakPolarHBondContact O-CB 3.48Å; L34-S37 PolarHBondContact O-N 3.42Å; L34-S37 VanDerWaalsContact O-N 3.13Å; T35-S37 PolarHBondContact O-N 3.19Å; S37-R39 VanDerWaalsContact C-N 3.35Å
38G91.6Very high94Very high70 Ų7045.8 Ų45.872%0.72225%0.247SC*.THydrogen-bonded Turntrans77.216.118000000114.5L34 T35 E36L34-G38 PolarHBondContact O-N 3.34Å; T35-G38 PolarHBondContact O-N 2.98Å; E36-G38 PolarHBondContact O-N 3.3Å
39R92.3Very high93.8Very high153 Ų15345.3 Ų45.358%0.57725%0.253SS*.  trans-106.989.9175.2-61.1178.9-177.3175.11.4109.3L34 T35 S37 T41L34-R39 CarbonylContact C-O 3.41Å; L34-R39 VanDerWaalsContact C-O 3.26Å; L34-R39 HydrophobicContact CB-CB 4.2Å; L34-R39 HydrophobicContact CD2-CB 4.48Å; L34-R39 CarbonylContact O-C 3.54Å; L34-R39 WeakPolarHBondContact O-CA 3.48Å; L34-R39 WeakPolarHBondContact O-CB 2.98Å; L34-R39 PolarHBondContact O-N 2.81Å; T35-R39 PolarHBondContact N-O 3.12Å; S37-R39 VanDerWaalsContact C-N 3.35Å; R39-T41 PolarHBondContact O-N 3.14Å; R39-T41 PolarHBondContact O-OG1 3.39Å
40E92.9Very high93.4Very high69 Ų6944.8 Ų44.832%0.32225%0.248SC..  trans-57.9128.5175.2-174.3177.3-169.300110.2K107 C110 K111E40-K107 WeakPolarHBondContact OE1-CD 3.43Å; E40-C110 HydrophobicContact CB-CB 4.21Å; E40-C110 HydrophobicContact CG-CB 3.89Å; E40-C110 WeakPolarHBondContact O-CA 3.28Å; E40-C110 PolarHBondContact O-SG 3.48Å; E40-C110 PolarHBondContact OE2-N 3.25Å; E40-K111 PolarHBondContact O-N 3.45Å
41T95.8Very high92.5Very high6 Ų651.3 Ų51.34%0.03728%0.278CS..EExtended strand (participates in β ladder)trans-132.9128.6-165.9-61.50000110.6K31 L34 R39 Y112 L114K31-T41 WeakPolarHBondContact CE-O 3.33Å; L34-T41 WeakPolarHBondContact CB-OG1 3.49Å; L34-T41 HydrophobicContact CD1-CG2 4.16Å; R39-T41 PolarHBondContact O-N 3.14Å; R39-T41 PolarHBondContact O-OG1 3.39Å; T41-Y112 CarbonylContact C-O 3.56Å; T41-Y112 WeakPolarHBondContact CA-O 3.04Å; T41-Y112 HydrophobicContact CG2-CD1 3.92Å; T41-L114 HydrophobicContact CG2-CD1 3.72Å; T41-L114 HydrophobicContact CG2-CG 3.6Å
42L96.7Very high91.5Very high1 Ų156.9 Ų56.91%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-81.8134.4167.3-65-178000109.7I44 D58 I100 M103 L104 K107 Y112 I113 L114L42-I44 HydrophobicContact CB-CG1 4.48Å; L42-D58 WeakPolarHBondContact CA-OD2 3.15Å; L42-D58 HydrophobicContact CD2-CB 4.04Å; L42-I100 HydrophobicContact CD1-CG2 4.48Å; L42-M103 HydrophobicContact CD1-CB 4.02Å; L42-M103 HydrophobicContact CD1-CE 4.48Å; L42-M103 HydrophobicContact CD2-CE 4.04Å; L42-L104 HydrophobicContact CD1-CD2 3.74Å; L42-L104 HydrophobicContact CD1-CG 4.05Å; L42-L104 HydrophobicContact CG-CD2 4.43Å; L42-K107 HydrophobicContact CD2-CD 4.19Å; L42-Y112 PolarHBondContact N-O 2.94Å; L42-I113 HydrophobicContact CB-CG2 4.38Å; L42-I113 CarbonylContact O-C 3.48Å; L42-I113 WeakPolarHBondContact O-CA 3.43Å; L42-L114 PolarHBondContact O-N 3.31Å
43L96.8Very high90.3Very high0 Ų059.9 Ų59.90%032%0.315CS..EExtended strand (participates in β ladder)trans-110.3120.4171.1175.558.6000109.6C27 K28 K31 Y57 D58 L59 L114C27-L43 HydrophobicContact CB-CD1 3.7Å; K28-L43 HydrophobicContact CG-CD2 4.42Å; K31-L43 HydrophobicContact CD-CB 3.69Å; K31-L43 HydrophobicContact CD-CD2 4.02Å; K31-L43 HydrophobicContact CD-CG 4.5Å; K31-L43 HydrophobicContact CG-CB 4.3Å; L43-Y57 HydrophobicContact CD1-CD1 4.28Å; L43-Y57 HydrophobicContact CD1-CE1 4.07Å; L43-Y57 HydrophobicContact CD2-CD1 4.04Å; L43-Y57 HydrophobicContact CD2-CE1 4.06Å; L43-Y57 HydrophobicContact CG-CD1 3.63Å; L43-Y57 HydrophobicContact CG-CE1 3.84Å; L43-D58 PolarHBondContact N-OD2 2.97Å; L43-D58 PolarHBondContact O-N 2.87Å; L43-L59 PolarHBondContact O-N 3.24Å; L43-L114 HydrophobicContact CD1-CB 3.75Å; L43-L114 HydrophobicContact CD1-CD1 4.44Å
44I96.8Very high89.4Confident0 Ų055.4 Ų55.40%030%0.299CS..EExtended strand (participates in β ladder)trans-120.1121.4-171.7-57.1-173.3000109.5L42 L46 L59 F96 I100 I113 L114 F115 D116L42-I44 HydrophobicContact CB-CG1 4.48Å; I44-L46 HydrophobicContact CG2-CD2 4.18Å; I44-L46 HydrophobicContact CG2-CG 4.36Å; I44-L59 CarbonylContact C-O 3.58Å; I44-L59 WeakPolarHBondContact CA-O 3.37Å; I44-L59 HydrophobicContact CD1-CD2 4.44Å; I44-L59 HydrophobicContact CG1-CB 4.21Å; I44-L59 HydrophobicContact CG2-CB 4.25Å; I44-L59 HydrophobicContact CG2-CD2 4.35Å; I44-L59 HydrophobicContact CG2-CG 4.4Å; I44-F96 HydrophobicContact CG2-CE1 4.25Å; I44-F96 HydrophobicContact CG2-CZ 3.56Å; I44-I100 HydrophobicContact CD1-CD1 3.54Å; I44-I100 HydrophobicContact CD1-CG1 3.7Å; I44-I100 HydrophobicContact CD1-CG2 4.39Å; I44-I113 HydrophobicContact CD1-CG2 3.51Å; I44-I113 HydrophobicContact CG1-CG2 3.99Å; I44-L114 PolarHBondContact N-O 3.36Å; I44-F115 HydrophobicContact CB-CD1 3.99Å; I44-F115 HydrophobicContact CB-CE1 4.34Å; I44-F115 HydrophobicContact CD1-CD1 4.28Å; I44-F115 HydrophobicContact CD1-CE1 3.75Å; I44-F115 HydrophobicContact CD1-CZ 4.39Å; I44-F115 HydrophobicContact CG2-CD1 4.06Å; I44-F115 HydrophobicContact CG2-CE1 4.32Å; I44-D116 PolarHBondContact O-N 3.49Å
45N95.7Very high88.8Confident0 Ų063.5 Ų63.50%034%0.342CS..EExtended strand (participates in β ladder)trans-81.8120.2171.4179.545.2000109.8D47 Y57 L59 D60 V61N45-D47 PolarHBondContact ND2-O 2.85Å; N45-D47 PolarHBondContact OD1-N 2.87Å; N45-D47 VanDerWaalsContact OD1-N 3.09Å; N45-D47 PolarHBondContact OD1-O 2.91Å; N45-Y57 HydrophobicContact CB-CD1 3.56Å; N45-Y57 HydrophobicContact CB-CD2 4.19Å; N45-Y57 HydrophobicContact CB-CE1 3.64Å; N45-Y57 HydrophobicContact CB-CE2 4.21Å; N45-Y57 HydrophobicContact CB-CG 3.88Å; N45-L59 PolarHBondContact N-O 3.08Å; N45-D60 HydrophobicContact CB-CB 4.36Å; N45-D60 PolarHBondContact ND2-OD1 2.94Å; N45-D60 PolarHBondContact ND2-OD2 2.87Å; N45-V61 WeakPolarHBondContact O-CB 3.44Å; N45-V61 WeakPolarHBondContact O-CG1 3.26Å; N45-V61 PolarHBondContact O-N 3.28Å
46L94.6Very high88.6Confident4 Ų463.3 Ų63.32%0.02134%0.337CS..  trans-109.39.1171.2-67.6-174.9000112.7I44 P48 V61 L89 F96 F115 D116 L117 P118I44-L46 HydrophobicContact CG2-CD2 4.18Å; I44-L46 HydrophobicContact CG2-CG 4.36Å; L46-P48 VanDerWaalsContact O-CD 3.3Å; L46-P48 WeakPolarHBondContact O-CD 3.27Å; L46-V61 HydrophobicContact CD2-CB 4.47Å; L46-L89 HydrophobicContact CD2-CD2 3.95Å; L46-F96 HydrophobicContact CD2-CE1 3.61Å; L46-F96 HydrophobicContact CD2-CE2 4.33Å; L46-F96 HydrophobicContact CD2-CZ 3.39Å; L46-F115 HydrophobicContact CD1-CB 4.04Å; L46-F115 HydrophobicContact CD1-CD1 3.73Å; L46-F115 HydrophobicContact CD1-CG 4.23Å; L46-F115 HydrophobicContact CG-CD1 4.18Å; L46-D116 WeakPolarHBondContact CA-O 3.47Å; L46-D116 WeakPolarHBondContact CB-O 3.46Å; L46-D116 PolarHBondContact N-O 2.92Å; L46-L117 HydrophobicContact CB-CG 4.37Å; L46-L117 HydrophobicContact CD1-CD1 4.44Å; L46-L117 HydrophobicContact CD1-CG 4.26Å; L46-P118 WeakPolarHBondContact O-CD 3.46Å
47D93Very high88.6Confident23 Ų2357.1 Ų57.112%0.12331%0.307CS..  trans-99.2104.6175.4-172.9-2.9000111.8N45 G49 N50 M82 P118N45-D47 PolarHBondContact ND2-O 2.85Å; N45-D47 PolarHBondContact OD1-N 2.87Å; N45-D47 VanDerWaalsContact OD1-N 3.09Å; N45-D47 PolarHBondContact OD1-O 2.91Å; D47-G49 PolarHBondContact O-N 2.92Å; D47-G49 WeakPolarHBondContact OD1-CA 3.39Å; D47-G49 PolarHBondContact OD1-N 3.28Å; D47-N50 HydrophobicContact CB-CB 4.05Å; D47-N50 WeakPolarHBondContact O-CB 3.35Å; D47-N50 PolarHBondContact O-N 2.82Å; D47-N50 PolarHBondContact OD1-N 2.81Å; D47-M82 WeakPolarHBondContact OD1-CE 3.21Å; D47-P118 HydrophobicContact CB-CB 4.11Å; D47-P118 HydrophobicContact CB-CG 4.19Å; D47-P118 VanDerWaalsContact CG-CA 3.48Å; D47-P118 WeakPolarHBondContact OD2-CA 3.43Å
48P91.4Very high88.7Confident9 Ų956.1 Ų56.16%0.05830%0.296CS..THydrogen-bonded Turntrans-63.9-23.7174.8-18.631.6000113.3L46 V61 L67 M82 C85L46-P48 VanDerWaalsContact O-CD 3.3Å; L46-P48 WeakPolarHBondContact O-CD 3.27Å; P48-V61 HydrophobicContact CG-CG1 4.06Å; P48-L67 HydrophobicContact CB-CB 4.15Å; P48-M82 HydrophobicContact CG-SD 4.2Å; P48-C85 HydrophobicContact CB-CB 4.27Å; P48-C85 HydrophobicContact CG-CB 3.76Å
49G89.4Confident88.9Confident30 Ų3053.2 Ų53.231%0.30926%0.264SS..THydrogen-bonded Turntrans-91.16.1179.300000114D47 E51D47-G49 PolarHBondContact O-N 2.92Å; D47-G49 WeakPolarHBondContact OD1-CA 3.39Å; D47-G49 PolarHBondContact OD1-N 3.28Å; G49-E51 PolarHBondContact O-N 3.18Å
50N84.7Confident89Confident11 Ų1146.3 Ų46.36%0.05924%0.239CC..  trans-69.2102178.7-168.3-13.8000111.1D47 F52 Y57 R62D47-N50 HydrophobicContact CB-CB 4.05Å; D47-N50 WeakPolarHBondContact O-CB 3.35Å; D47-N50 PolarHBondContact O-N 2.82Å; D47-N50 PolarHBondContact OD1-N 2.81Å; N50-F52 PolarHBondContact O-N 3.3Å; N50-F52 PolarHBondContact OD1-N 2.98Å; N50-Y57 PolarHBondContact ND2-OH 3.42Å; N50-R62 VanDerWaalsContact O-CZ 3.31Å; N50-R62 PolarHBondContact O-NH1 3.47Å
51E75.5Confident89.1Confident173 Ų17343.1 Ų43.181%0.80822%0.224SC*.  trans-68.5-19.8-179.9-61.8-176.2168.500113.2G49 L53G49-E51 PolarHBondContact O-N 3.18Å; E51-L53 PolarHBondContact O-N 3.13Å
52F73Confident88.9Confident154 Ų15445.5 Ų45.568%0.67523%0.232SC*.  trans-94.782.2-176.5-56.9-78.5000110.9N50 S54N50-F52 PolarHBondContact O-N 3.3Å; N50-F52 PolarHBondContact OD1-N 2.98Å; F52-S54 PolarHBondContact O-N 3.34Å
53L69Low88.6Confident135 Ų13552.4 Ų52.471%0.70727%0.265SS*.  trans-57.6123.9165.1-84.5152.4000109.7E51 R62E51-L53 PolarHBondContact O-N 3.13Å; L53-R62 VanDerWaalsContact CD2-CZ 3.48Å
54S74.8Confident88.2Confident30 Ų3056 Ų5621%0.2128%0.283CS..  trans-126.6136.1170.5-174.20000108.8F52 E56 Y57F52-S54 PolarHBondContact O-N 3.34Å; S54-E56 WeakPolarHBondContact CB-OE2 3.46Å; S54-E56 PolarHBondContact O-N 2.9Å; S54-E56 WeakPolarHBondContact OG-CB 3.38Å; S54-E56 WeakPolarHBondContact OG-CG 3.45Å; S54-E56 PolarHBondContact OG-N 3.33Å; S54-E56 PolarHBondContact OG-OE2 2.78Å; S54-Y57 WeakPolarHBondContact O-CD2 3.21Å; S54-Y57 PolarHBondContact O-N 3.06Å
55D81.2Confident88Confident175 Ų17556.2 Ų56.294%0.93628%0.284SS*.THydrogen-bonded Turntrans-62.5-6170.6-62.2-34.2000112.3Y57D55-Y57 VanDerWaalsContact C-N 3.27Å; D55-Y57 PolarHBondContact O-N 3.33Å
56E88.3Confident87.8Confident66 Ų6660 Ų6031%0.30831%0.305SS..THydrogen-bonded Turntrans-69.7-20175.2-65.5167.2132.500113.6K28 K31 S54K28-E56 WeakPolarHBondContact CD-OE2 3.39Å; K28-E56 WeakPolarHBondContact CE-OE2 3.33Å; K28-E56 IonicContact NZ-OE2 2.73Å; K28-E56 PolarHBondContact NZ-OE2 2.7Å; K31-E56 PolarHBondContact NZ-O 2.87Å; S54-E56 WeakPolarHBondContact CB-OE2 3.46Å; S54-E56 PolarHBondContact O-N 2.9Å; S54-E56 WeakPolarHBondContact OG-CB 3.38Å; S54-E56 WeakPolarHBondContact OG-CG 3.45Å; S54-E56 PolarHBondContact OG-N 3.33Å; S54-E56 PolarHBondContact OG-OE2 2.78Å
57Y94.8Very high87.6Confident20 Ų2061 Ų618%0.07831%0.31CS..  trans-78.2125.9175-68.8-70000110.7T24 L43 N45 N50 S54 D55 D116T24-Y57 WeakPolarHBondContact CG2-OH 3.35Å; L43-Y57 HydrophobicContact CD1-CD1 4.28Å; L43-Y57 HydrophobicContact CD1-CE1 4.07Å; L43-Y57 HydrophobicContact CD2-CD1 4.04Å; L43-Y57 HydrophobicContact CD2-CE1 4.06Å; L43-Y57 HydrophobicContact CG-CD1 3.63Å; L43-Y57 HydrophobicContact CG-CE1 3.84Å; N45-Y57 HydrophobicContact CB-CD1 3.56Å; N45-Y57 HydrophobicContact CB-CD2 4.19Å; N45-Y57 HydrophobicContact CB-CE1 3.64Å; N45-Y57 HydrophobicContact CB-CE2 4.21Å; N45-Y57 HydrophobicContact CB-CG 3.88Å; N50-Y57 PolarHBondContact ND2-OH 3.42Å; S54-Y57 WeakPolarHBondContact O-CD2 3.21Å; S54-Y57 PolarHBondContact O-N 3.06Å; D55-Y57 VanDerWaalsContact C-N 3.27Å; D55-Y57 PolarHBondContact O-N 3.33Å; Y57-D116 HydrophobicContact CE1-CB 4.26Å; Y57-D116 PolarHBondContact OH-OD2 3.04Å
58D95.3Very high87.5Confident49 Ų4965.5 Ų65.526%0.26233%0.334SS..SBendtrans-76.6-29.9173.4-60.4-87.7000111.5K31 L42 L43 M103 K107K31-D58 VanDerWaalsContact CE-OD2 3.26Å; K31-D58 WeakPolarHBondContact CE-OD2 3.45Å; K31-D58 IonicContact NZ-OD1 3.05Å; K31-D58 IonicContact NZ-OD2 3.98Å; K31-D58 PolarHBondContact NZ-OD2 2.78Å; L42-D58 WeakPolarHBondContact CA-OD2 3.15Å; L42-D58 HydrophobicContact CD2-CB 4.04Å; L43-D58 PolarHBondContact N-OD2 2.97Å; L43-D58 PolarHBondContact O-N 2.87Å; D58-M103 HydrophobicContact CB-CE 3.46Å; D58-M103 VanDerWaalsContact CB-CE 3.46Å; D58-M103 WeakPolarHBondContact O-CE 3.35Å; D58-K107 IonicContact OD1-NZ 2.75Å; D58-K107 PolarHBondContact OD1-NZ 3.07Å
59L95.4Very high87.6Confident10 Ų1068.1 Ų68.15%0.05235%0.35CS..EExtended strand (participates in β ladder)trans-143.1140175.7-178.960.9000110L43 I44 N45 F96 V99 I100 M103L43-L59 PolarHBondContact O-N 3.24Å; I44-L59 CarbonylContact C-O 3.58Å; I44-L59 WeakPolarHBondContact CA-O 3.37Å; I44-L59 HydrophobicContact CD1-CD2 4.44Å; I44-L59 HydrophobicContact CG1-CB 4.21Å; I44-L59 HydrophobicContact CG2-CB 4.25Å; I44-L59 HydrophobicContact CG2-CD2 4.35Å; I44-L59 HydrophobicContact CG2-CG 4.4Å; N45-L59 PolarHBondContact N-O 3.08Å; L59-F96 HydrophobicContact CD2-CD2 4.08Å; L59-F96 HydrophobicContact CD2-CE2 3.47Å; L59-F96 VanDerWaalsContact CD2-CE2 3.47Å; L59-F96 HydrophobicContact CD2-CZ 3.72Å; L59-F96 HydrophobicContact CG-CE2 3.91Å; L59-F96 HydrophobicContact CG-CZ 4.32Å; L59-V99 HydrophobicContact CD1-CG1 3.79Å; L59-V99 HydrophobicContact CD2-CB 4.49Å; L59-V99 HydrophobicContact CD2-CG1 4.01Å; L59-I100 HydrophobicContact CD2-CD1 4.35Å; L59-I100 HydrophobicContact CD2-CG1 3.66Å; L59-M103 HydrophobicContact CB-CE 4.24Å; L59-M103 HydrophobicContact CB-SD 4.14Å; L59-M103 HydrophobicContact CD2-SD 4.4Å
60D94.6Very high87.7Confident8 Ų867.5 Ų67.54%0.04334%0.339CS..EExtended strand (participates in β ladder)trans-129.8123.4-178.6-165.8-36.6000110.9N45 R62 Q63N45-D60 HydrophobicContact CB-CB 4.36Å; N45-D60 PolarHBondContact ND2-OD1 2.94Å; N45-D60 PolarHBondContact ND2-OD2 2.87Å; D60-R62 PolarHBondContact O-N 3.41Å; D60-R62 VanDerWaalsContact O-N 3.08Å; D60-R62 WeakPolarHBondContact OD1-CB 3.48Å; D60-R62 WeakPolarHBondContact OD1-CG 3.26Å; D60-R62 IonicContact OD1-CZ 2.69Å; D60-R62 PolarHBondContact OD1-N 2.84Å; D60-R62 IonicContact OD1-NE 3.28Å; D60-R62 PolarHBondContact OD1-NE 3.23Å; D60-R62 IonicContact OD1-NH2 3.09Å; D60-R62 IonicContact OD2-CZ 3.93Å; D60-R62 VanDerWaalsContact OD2-CZ 3.28Å; D60-R62 IonicContact OD2-NE 2.7Å; D60-R62 PolarHBondContact OD2-NE 3.43Å; D60-R62 VanDerWaalsContact OD2-NE 3.09Å; D60-R62 IonicContact OD2-NH2 3.3Å; D60-R62 PolarHBondContact OD2-NH2 2.86Å; D60-Q63 HydrophobicContact CB-CG 4.39Å; D60-Q63 WeakPolarHBondContact O-CB 3.35Å; D60-Q63 WeakPolarHBondContact O-CG 3.42Å; D60-Q63 PolarHBondContact O-N 3.5Å
61V93.8Very high88Confident1 Ų169.5 Ų69.51%0.00635%0.349CS..G310 helixtrans-55.1-26.7178.468.70000112.9N45 L46 P48 Q63 L64 I65 L89N45-V61 WeakPolarHBondContact O-CB 3.44Å; N45-V61 WeakPolarHBondContact O-CG1 3.26Å; N45-V61 PolarHBondContact O-N 3.28Å; L46-V61 HydrophobicContact CD2-CB 4.47Å; P48-V61 HydrophobicContact CG-CG1 4.06Å; V61-Q63 PolarHBondContact O-N 3.39Å; V61-Q63 VanDerWaalsContact O-N 3.17Å; V61-L64 PolarHBondContact O-N 3.1Å; V61-I65 HydrophobicContact CG2-CD1 4.03Å; V61-I65 PolarHBondContact O-N 3.15Å; V61-L89 HydrophobicContact CG2-CD1 4.12Å; V61-L89 HydrophobicContact CG2-CD2 4.09Å
62R91.7Very high88.9Confident56 Ų5664.5 Ų64.521%0.21134%0.337CS..G310 helixtrans-66.6-16.4179.8-65177.3-65.6-175.4-17.1114.1N50 L53 D60 L64 I65N50-R62 VanDerWaalsContact O-CZ 3.31Å; N50-R62 PolarHBondContact O-NH1 3.47Å; L53-R62 VanDerWaalsContact CD2-CZ 3.48Å; D60-R62 PolarHBondContact O-N 3.41Å; D60-R62 VanDerWaalsContact O-N 3.08Å; D60-R62 WeakPolarHBondContact OD1-CB 3.48Å; D60-R62 WeakPolarHBondContact OD1-CG 3.26Å; D60-R62 IonicContact OD1-CZ 2.69Å; D60-R62 PolarHBondContact OD1-N 2.84Å; D60-R62 IonicContact OD1-NE 3.28Å; D60-R62 PolarHBondContact OD1-NE 3.23Å; D60-R62 IonicContact OD1-NH2 3.09Å; D60-R62 IonicContact OD2-CZ 3.93Å; D60-R62 VanDerWaalsContact OD2-CZ 3.28Å; D60-R62 IonicContact OD2-NE 2.7Å; D60-R62 PolarHBondContact OD2-NE 3.43Å; D60-R62 VanDerWaalsContact OD2-NE 3.09Å; D60-R62 IonicContact OD2-NH2 3.3Å; D60-R62 PolarHBondContact OD2-NH2 2.86Å; R62-L64 PolarHBondContact O-N 3.1Å; R62-I65 WeakPolarHBondContact CA-O 3.44Å
63Q90.2Very high89.8Confident147 Ų14763 Ų6369%0.68734%0.337SS*.G310 helixtrans-68.2-23.3171.1-61.2176.517.300112D60 V61D60-Q63 HydrophobicContact CB-CG 4.39Å; D60-Q63 WeakPolarHBondContact O-CB 3.35Å; D60-Q63 WeakPolarHBondContact O-CG 3.42Å; D60-Q63 PolarHBondContact O-N 3.5Å; V61-Q63 PolarHBondContact O-N 3.39Å; V61-Q63 VanDerWaalsContact O-N 3.17Å
64L90.3Very high90.9Very high76 Ų7664 Ų6440%0.39833%0.331SS..THydrogen-bonded Turntrans-102.1-36.6176.8-59.3179000111.8V61 R62 F96V61-L64 PolarHBondContact O-N 3.1Å; R62-L64 PolarHBondContact O-N 3.1Å; L64-F96 HydrophobicContact CD1-CB 4.25Å; L64-F96 HydrophobicContact CD1-CD2 3.62Å; L64-F96 HydrophobicContact CD1-CE2 4.48Å; L64-F96 HydrophobicContact CD1-CG 4.41Å
65I91.6Very high91.8Very high4 Ų468.3 Ų68.32%0.02136%0.359CS..  trans-131.9110-167.1-60.8166.6000110.5V61 R62 I70 C85 L88 L89V61-I65 HydrophobicContact CG2-CD1 4.03Å; V61-I65 PolarHBondContact O-N 3.15Å; R62-I65 WeakPolarHBondContact CA-O 3.44Å; I65-I70 HydrophobicContact CG2-CD1 3.61Å; I65-C85 WeakPolarHBondContact CD1-O 3.26Å; I65-C85 HydrophobicContact CG2-CB 3.71Å; I65-C85 VanDerWaalsContact CG2-SG 3.59Å; I65-L88 HydrophobicContact CD1-CB 4.08Å; I65-L88 HydrophobicContact CG1-CB 4.45Å; I65-L89 HydrophobicContact CD1-CB 3.63Å; I65-L89 HydrophobicContact CD1-CD1 4.44Å
66D91.1Very high92.2Very high80 Ų8062.8 Ų62.843%0.42833%0.33SS..  trans-94.2108.3174.5-171.8-17.5000111.1N68 T69 I70D66-N68 VanDerWaalsContact C-N 3.29Å; D66-N68 PolarHBondContact O-N 3.4Å; D66-N68 WeakPolarHBondContact OD1-CB 3.47Å; D66-N68 PolarHBondContact OD1-N 3.17Å; D66-T69 VanDerWaalsContact CG-OG1 3.28Å; D66-T69 PolarHBondContact O-N 3.16Å; D66-T69 PolarHBondContact OD1-N 2.94Å; D66-T69 PolarHBondContact OD2-OG1 3.44Å; D66-T69 VanDerWaalsContact OD2-OG1 3.14Å; D66-I70 WeakPolarHBondContact O-CG1 3.47Å; D66-I70 PolarHBondContact O-N 2.97Å; D66-I70 VanDerWaalsContact O-N 3.08Å
67L91.4Very high92.3Very high24 Ų2461.9 Ų61.913%0.12634%0.338CS..Hα-helixtrans-57.3-39.9177.917964.8000112.4P48 I70 I71 A81 M82 C85P48-L67 HydrophobicContact CB-CB 4.15Å; L67-I70 PolarHBondContact O-N 3.49Å; L67-I71 HydrophobicContact CD1-CD1 4.27Å; L67-I71 HydrophobicContact CD1-CG1 4.47Å; L67-I71 HydrophobicContact CG-CD1 4.01Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.42Å; L67-I71 PolarHBondContact O-N 3.23Å; L67-A81 HydrophobicContact CD1-CB 3.68Å; L67-M82 HydrophobicContact CD2-CE 4.5Å; L67-C85 VanDerWaalsContact CD1-SG 3.56Å
68N91.3Very high92Very high118 Ų11865.4 Ų65.463%0.63136%0.363SS*.Hα-helixtrans-71.2-40.1-176.2-68.2-50.5000111.3D66 I70 I71 A72D66-N68 VanDerWaalsContact C-N 3.29Å; D66-N68 PolarHBondContact O-N 3.4Å; D66-N68 WeakPolarHBondContact OD1-CB 3.47Å; D66-N68 PolarHBondContact OD1-N 3.17Å; N68-I70 VanDerWaalsContact C-N 3.31Å; N68-I70 PolarHBondContact O-N 3.23Å; N68-I71 PolarHBondContact O-N 3.47Å; N68-A72 PolarHBondContact O-N 3.32Å; N68-A72 VanDerWaalsContact O-N 3.08Å
69T91.6Very high91.6Very high64 Ų6467.9 Ų67.939%0.39338%0.377SS..Hα-helixtrans-60.1-44172.3-56.50000110.8D66 I71 A72 D73D66-T69 VanDerWaalsContact CG-OG1 3.28Å; D66-T69 PolarHBondContact O-N 3.16Å; D66-T69 PolarHBondContact OD1-N 2.94Å; D66-T69 PolarHBondContact OD2-OG1 3.44Å; D66-T69 VanDerWaalsContact OD2-OG1 3.14Å; T69-I71 PolarHBondContact O-N 2.99Å; T69-A72 PolarHBondContact O-N 3.3Å; T69-D73 WeakPolarHBondContact CG2-OD2 3.46Å; T69-D73 VanDerWaalsContact O-CB 3.31Å; T69-D73 WeakPolarHBondContact O-CB 3.39Å; T69-D73 VanDerWaalsContact O-CG 3.31Å; T69-D73 PolarHBondContact O-N 3.06Å
70I92.2Very high91.3Very high16 Ų1669.1 Ų69.18%0.08239%0.392CS..Hα-helixtrans-63-44.6178.5-72.8164.1000111.8I65 D66 L67 N68 A72 R74 L76 A81 F84 C85 L88I65-I70 HydrophobicContact CG2-CD1 3.61Å; D66-I70 WeakPolarHBondContact O-CG1 3.47Å; D66-I70 PolarHBondContact O-N 2.97Å; D66-I70 VanDerWaalsContact O-N 3.08Å; L67-I70 PolarHBondContact O-N 3.49Å; N68-I70 VanDerWaalsContact C-N 3.31Å; N68-I70 PolarHBondContact O-N 3.23Å; I70-A72 VanDerWaalsContact C-N 3.3Å; I70-A72 PolarHBondContact O-N 3.13Å; I70-R74 HydrophobicContact CG2-CG 4.43Å; I70-R74 VanDerWaalsContact O-CB 3.27Å; I70-R74 WeakPolarHBondContact O-CB 3.29Å; I70-R74 PolarHBondContact O-N 3.41Å; I70-L76 HydrophobicContact CG2-CD1 4.35Å; I70-A81 HydrophobicContact CG2-CB 4.08Å; I70-F84 HydrophobicContact CD1-CD1 4.18Å; I70-F84 HydrophobicContact CG1-CD1 4.31Å; I70-F84 HydrophobicContact CG1-CE1 4.42Å; I70-F84 HydrophobicContact CG2-CD1 3.56Å; I70-F84 HydrophobicContact CG2-CE1 4.22Å; I70-F84 HydrophobicContact CG2-CG 4.4Å; I70-C85 WeakPolarHBondContact CD1-SG 3.5Å; I70-L88 HydrophobicContact CD1-CD1 3.66Å; I70-L88 HydrophobicContact CG1-CD1 4.44Å
71I92Very high91.2Very high54 Ų5468.8 Ų68.828%0.27739%0.39SS..Hα-helixtrans-56.7-47176.4-72.9168.2000110.3L67 N68 T69 C75 L76 A81L67-I71 HydrophobicContact CD1-CD1 4.27Å; L67-I71 HydrophobicContact CD1-CG1 4.47Å; L67-I71 HydrophobicContact CG-CD1 4.01Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.42Å; L67-I71 PolarHBondContact O-N 3.23Å; N68-I71 PolarHBondContact O-N 3.47Å; T69-I71 PolarHBondContact O-N 2.99Å; I71-C75 VanDerWaalsContact O-CA 3.32Å; I71-C75 WeakPolarHBondContact O-CA 3.37Å; I71-C75 PolarHBondContact O-N 2.81Å; I71-C75 VanDerWaalsContact O-N 3.09Å; I71-L76 PolarHBondContact O-N 2.78Å; I71-A81 HydrophobicContact CD1-CB 4.2Å; I71-A81 HydrophobicContact CG1-CB 3.37Å
72A92.9Very high91.1Very high67 Ų6769.3 Ų69.355%0.55439%0.392SS*.Hα-helixtrans-67.6-50.5-179.100000112.4N68 T69 I70N68-A72 PolarHBondContact O-N 3.32Å; N68-A72 VanDerWaalsContact O-N 3.08Å; T69-A72 PolarHBondContact O-N 3.3Å; I70-A72 VanDerWaalsContact C-N 3.3Å; I70-A72 PolarHBondContact O-N 3.13Å
73D93.5Very high91Very high123 Ų12367.6 Ų67.666%0.65839%0.388SS*.Hα-helixtrans-73.2-34.8-172.1-72.1-6.6000112.8T69T69-D73 WeakPolarHBondContact CG2-OD2 3.46Å; T69-D73 VanDerWaalsContact O-CB 3.31Å; T69-D73 WeakPolarHBondContact O-CB 3.39Å; T69-D73 VanDerWaalsContact O-CG 3.31Å; T69-D73 PolarHBondContact O-N 3.06Å
74R92.2Very high91.1Very high157 Ų15762.7 Ų62.759%0.59237%0.365SS*.Hα-helixtrans-98.1-4.4-177.9-58.5-65.6-172.1159.31.1113.3I70 L76 F84I70-R74 HydrophobicContact CG2-CG 4.43Å; I70-R74 VanDerWaalsContact O-CB 3.27Å; I70-R74 WeakPolarHBondContact O-CB 3.29Å; I70-R74 PolarHBondContact O-N 3.41Å; R74-L76 HydrophobicContact CB-CD1 3.69Å; R74-L76 HydrophobicContact CB-CG 3.64Å; R74-L76 HydrophobicContact CG-CD1 4.36Å; R74-L76 PolarHBondContact O-N 2.81Å; R74-F84 HydrophobicContact CG-CE1 4.38Å
75C91.8Very high91.2Very high119 Ų11959.1 Ų59.180%0.80435%0.346SS*.THydrogen-bonded Turntrans52.138.2-174.5-63.50000112.4I71I71-C75 VanDerWaalsContact O-CA 3.32Å; I71-C75 WeakPolarHBondContact O-CA 3.37Å; I71-C75 PolarHBondContact O-N 2.81Å; I71-C75 VanDerWaalsContact O-N 3.09Å
76L91Very high91.3Very high60 Ų6059.2 Ų59.231%0.31435%0.346SS..  trans-90.9146.1-178.8-67.9173.3000111I70 I71 R74 A81 F84I70-L76 HydrophobicContact CG2-CD1 4.35Å; I71-L76 PolarHBondContact O-N 2.78Å; R74-L76 HydrophobicContact CB-CD1 3.69Å; R74-L76 HydrophobicContact CB-CG 3.64Å; R74-L76 HydrophobicContact CG-CD1 4.36Å; R74-L76 PolarHBondContact O-N 2.81Å; L76-A81 HydrophobicContact CB-CB 4.05Å; L76-F84 HydrophobicContact CD1-CB 4.02Å; L76-F84 HydrophobicContact CD1-CG 4.25Å
77G91Very high91.4Very high46 Ų4659.7 Ų59.747%0.47435%0.346SS..  trans-68.9162.7165.600000111.7N79 G80 A81G77-N79 PolarHBondContact O-N 2.87Å; G77-G80 PolarHBondContact O-N 2.84Å; G77-G80 VanDerWaalsContact O-N 3.08Å; G77-A81 PolarHBondContact O-N 2.81Å
78P87.4Confident91.5Very high95 Ų9560.9 Ų60.962%0.61735%0.352SS*.Hα-helixtrans-52.7-45.5-173-28.334.7000114.6A81 M82P78-A81 PolarHBondContact O-N 2.77Å; P78-M82 PolarHBondContact O-N 3.46Å
79N87.4Confident91.7Very high101 Ų10155.4 Ų55.454%0.5432%0.323SS..Hα-helixtrans-68.9-40.6-179.9-66.2-3.9000112.2G77 A81 M82 V83G77-N79 PolarHBondContact O-N 2.87Å; N79-A81 VanDerWaalsContact C-N 3.35Å; N79-M82 PolarHBondContact O-N 2.81Å; N79-V83 WeakPolarHBondContact O-CG2 3.34Å; N79-V83 PolarHBondContact O-N 2.9Å; N79-V83 VanDerWaalsContact O-N 3.11Å
80G89.3Confident91.8Very high36 Ų3654.4 Ų54.437%0.37131%0.314SS..Hα-helixtrans-66.6-37.8177.100000112.1G77 F84G77-G80 PolarHBondContact O-N 2.84Å; G77-G80 VanDerWaalsContact O-N 3.08Å; G80-F84 WeakPolarHBondContact O-CB 3.3Å; G80-F84 PolarHBondContact O-N 2.73Å
81A92.2Very high91.9Very high0 Ų057.5 Ų57.50%034%0.337CS..Hα-helixtrans-65.2-41173.700000111.8L67 I70 I71 L76 G77 P78 N79 V83 F84 C85L67-A81 HydrophobicContact CD1-CB 3.68Å; I70-A81 HydrophobicContact CG2-CB 4.08Å; I71-A81 HydrophobicContact CD1-CB 4.2Å; I71-A81 HydrophobicContact CG1-CB 3.37Å; L76-A81 HydrophobicContact CB-CB 4.05Å; G77-A81 PolarHBondContact O-N 2.81Å; P78-A81 PolarHBondContact O-N 2.77Å; N79-A81 VanDerWaalsContact C-N 3.35Å; A81-V83 PolarHBondContact O-N 2.96Å; A81-F84 WeakPolarHBondContact O-CB 3.42Å; A81-F84 PolarHBondContact O-N 2.78Å; A81-C85 PolarHBondContact O-N 3.45Å; A81-C85 PolarHBondContact O-SG 3.38Å
82M90.6Very high92Very high13 Ų1358.1 Ų58.16%0.06434%0.338CS..Hα-helixtrans-61.2-44176.4-174.56586.600112.6D47 P48 L67 P78 N79 F84 C85 L86 P118 L123D47-M82 WeakPolarHBondContact OD1-CE 3.21Å; P48-M82 HydrophobicContact CG-SD 4.2Å; L67-M82 HydrophobicContact CD2-CE 4.5Å; P78-M82 PolarHBondContact O-N 3.46Å; N79-M82 PolarHBondContact O-N 2.81Å; M82-F84 VanDerWaalsContact C-N 3.34Å; M82-C85 WeakPolarHBondContact O-CB 3.3Å; M82-C85 PolarHBondContact O-N 3.21Å; M82-L86 PolarHBondContact O-N 3.3Å; M82-L86 VanDerWaalsContact O-N 3.16Å; M82-P118 HydrophobicContact CE-CB 4.27Å; M82-P118 HydrophobicContact SD-CB 4.23Å; M82-P118 HydrophobicContact SD-CG 4.3Å; M82-L123 HydrophobicContact CG-CD1 3.7Å; M82-L123 HydrophobicContact CG-CD2 4.19Å
83V90.8Very high92.1Very high19 Ų1954.9 Ų54.912%0.11531%0.312CS..Hα-helixtrans-60.1-47.1174.51730000110.3N79 A81 C85 L86 E87 L123 H127N79-V83 WeakPolarHBondContact O-CG2 3.34Å; N79-V83 PolarHBondContact O-N 2.9Å; N79-V83 VanDerWaalsContact O-N 3.11Å; A81-V83 PolarHBondContact O-N 2.96Å; V83-C85 VanDerWaalsContact C-N 3.31Å; V83-C85 PolarHBondContact O-N 2.82Å; V83-L86 PolarHBondContact O-N 2.7Å; V83-E87 HydrophobicContact CG1-CG 4.47Å; V83-E87 WeakPolarHBondContact O-CG 3.14Å; V83-E87 PolarHBondContact O-N 2.95Å; V83-L123 HydrophobicContact CG2-CD2 3.78Å; V83-H127 WeakPolarHBondContact CG2-NE2 3.34Å
84F92.1Very high92.3Very high45 Ų4554.2 Ų54.220%0.19731%0.305CS..Hα-helixtrans-61.5-38.3178.4-172.7-98.9000112.6I70 R74 L76 G80 A81 M82 L86 E87 L88I70-F84 HydrophobicContact CD1-CD1 4.18Å; I70-F84 HydrophobicContact CG1-CD1 4.31Å; I70-F84 HydrophobicContact CG1-CE1 4.42Å; I70-F84 HydrophobicContact CG2-CD1 3.56Å; I70-F84 HydrophobicContact CG2-CE1 4.22Å; I70-F84 HydrophobicContact CG2-CG 4.4Å; R74-F84 HydrophobicContact CG-CE1 4.38Å; L76-F84 HydrophobicContact CD1-CB 4.02Å; L76-F84 HydrophobicContact CD1-CG 4.25Å; G80-F84 WeakPolarHBondContact O-CB 3.3Å; G80-F84 PolarHBondContact O-N 2.73Å; A81-F84 WeakPolarHBondContact O-CB 3.42Å; A81-F84 PolarHBondContact O-N 2.78Å; M82-F84 VanDerWaalsContact C-N 3.34Å; F84-L86 VanDerWaalsContact C-N 3.3Å; F84-L86 PolarHBondContact O-N 3.42Å; F84-E87 PolarHBondContact O-N 2.68Å; F84-L88 HydrophobicContact CD1-CD1 3.84Å; F84-L88 HydrophobicContact CD1-CG 4.08Å; F84-L88 HydrophobicContact CE1-CD1 3.49Å; F84-L88 VanDerWaalsContact CE1-CD1 3.49Å; F84-L88 HydrophobicContact CE1-CD2 4.14Å; F84-L88 HydrophobicContact CE1-CG 3.76Å; F84-L88 HydrophobicContact CZ-CD1 4.3Å; F84-L88 HydrophobicContact CZ-CD2 4.13Å; F84-L88 HydrophobicContact CZ-CG 4.17Å; F84-L88 WeakPolarHBondContact O-CG 3.43Å; F84-L88 PolarHBondContact O-N 2.82Å
85C93.1Very high92.4Very high0 Ų052.5 Ų52.50%030%0.303CS..Hα-helixtrans-58.4-43172.7-69.10000111.6P48 I65 L67 I70 A81 M82 V83 L88 L89P48-C85 HydrophobicContact CB-CB 4.27Å; P48-C85 HydrophobicContact CG-CB 3.76Å; I65-C85 WeakPolarHBondContact CD1-O 3.26Å; I65-C85 HydrophobicContact CG2-CB 3.71Å; I65-C85 VanDerWaalsContact CG2-SG 3.59Å; L67-C85 VanDerWaalsContact CD1-SG 3.56Å; I70-C85 WeakPolarHBondContact CD1-SG 3.5Å; A81-C85 PolarHBondContact O-N 3.45Å; A81-C85 PolarHBondContact O-SG 3.38Å; M82-C85 WeakPolarHBondContact O-CB 3.3Å; M82-C85 PolarHBondContact O-N 3.21Å; V83-C85 VanDerWaalsContact C-N 3.31Å; V83-C85 PolarHBondContact O-N 2.82Å; C85-L88 PolarHBondContact O-N 3.36Å; C85-L89 PolarHBondContact O-N 2.95Å
86L92.2Very high92.6Very high7 Ų746.9 Ų46.94%0.03727%0.266CS..Hα-helixtrans-69-36.7176.8-68.2-173.5000112.6M82 V83 F84 L88 L89 E90 P118 L123 C129 V130 I133M82-L86 PolarHBondContact O-N 3.3Å; M82-L86 VanDerWaalsContact O-N 3.16Å; V83-L86 PolarHBondContact O-N 2.7Å; F84-L86 VanDerWaalsContact C-N 3.3Å; F84-L86 PolarHBondContact O-N 3.42Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 2.93Å; L86-L89 HydrophobicContact CD2-CD2 4.45Å; L86-L89 PolarHBondContact O-N 3.38Å; L86-E90 WeakPolarHBondContact O-CB 3.4Å; L86-E90 PolarHBondContact O-N 3.44Å; L86-P118 HydrophobicContact CD2-CG 4.39Å; L86-L123 HydrophobicContact CD1-CB 4.18Å; L86-L123 HydrophobicContact CD1-CD1 3.89Å; L86-L123 HydrophobicContact CD1-CD2 4.01Å; L86-L123 HydrophobicContact CD1-CG 4.23Å; L86-C129 HydrophobicContact CB-CB 4.1Å; L86-V130 HydrophobicContact CD1-CG2 3.79Å; L86-I133 HydrophobicContact CB-CD1 4.5Å; L86-I133 HydrophobicContact CD2-CD1 4.49Å
87E92.7Very high92.9Very high89 Ų8944.1 Ų44.142%0.41625%0.251SS..Hα-helixtrans-62.8-40.2173.9-69.3173.5168.500111.6V83 F84 E90 S91V83-E87 HydrophobicContact CG1-CG 4.47Å; V83-E87 WeakPolarHBondContact O-CG 3.14Å; V83-E87 PolarHBondContact O-N 2.95Å; F84-E87 PolarHBondContact O-N 2.68Å; E87-E90 PolarHBondContact O-N 3.5Å; E87-S91 PolarHBondContact O-N 3.21Å
88L94.1Very high93.1Very high50 Ų5046.5 Ų46.526%0.26225%0.253SS..Hα-helixtrans-62.8-47.1172.8-74179.7000111.4I65 I70 F84 C85 L86 E90 S91 Q92I65-L88 HydrophobicContact CD1-CB 4.08Å; I65-L88 HydrophobicContact CG1-CB 4.45Å; I70-L88 HydrophobicContact CD1-CD1 3.66Å; I70-L88 HydrophobicContact CG1-CD1 4.44Å; F84-L88 HydrophobicContact CD1-CD1 3.84Å; F84-L88 HydrophobicContact CD1-CG 4.08Å; F84-L88 HydrophobicContact CE1-CD1 3.49Å; F84-L88 VanDerWaalsContact CE1-CD1 3.49Å; F84-L88 HydrophobicContact CE1-CD2 4.14Å; F84-L88 HydrophobicContact CE1-CG 3.76Å; F84-L88 HydrophobicContact CZ-CD1 4.3Å; F84-L88 HydrophobicContact CZ-CD2 4.13Å; F84-L88 HydrophobicContact CZ-CG 4.17Å; F84-L88 WeakPolarHBondContact O-CG 3.43Å; F84-L88 PolarHBondContact O-N 2.82Å; C85-L88 PolarHBondContact O-N 3.36Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 2.93Å; L88-E90 VanDerWaalsContact C-N 3.3Å; L88-E90 PolarHBondContact O-N 3.04Å; L88-S91 PolarHBondContact O-N 3.39Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 2.98Å; L88-Q92 PolarHBondContact O-N 3.46Å
89L94.9Very high93.5Very high2 Ų244.9 Ų44.91%0.0124%0.241CC..Hα-helixtrans-59-42.9176.4178.760.4000111.4L46 V61 I65 C85 L86 S91 Q92 V93 F96 I133L46-L89 HydrophobicContact CD2-CD2 3.95Å; V61-L89 HydrophobicContact CG2-CD1 4.12Å; V61-L89 HydrophobicContact CG2-CD2 4.09Å; I65-L89 HydrophobicContact CD1-CB 3.63Å; I65-L89 HydrophobicContact CD1-CD1 4.44Å; C85-L89 PolarHBondContact O-N 2.95Å; L86-L89 HydrophobicContact CD2-CD2 4.45Å; L86-L89 PolarHBondContact O-N 3.38Å; L89-S91 VanDerWaalsContact C-N 3.32Å; L89-S91 PolarHBondContact O-N 3.21Å; L89-Q92 CarbonylContact O-C 3.58Å; L89-Q92 PolarHBondContact O-N 3.14Å; L89-V93 WeakPolarHBondContact O-CA 3.12Å; L89-V93 WeakPolarHBondContact O-CB 3.37Å; L89-V93 PolarHBondContact O-N 3.4Å; L89-F96 HydrophobicContact CD1-CB 4.27Å; L89-F96 HydrophobicContact CD1-CD1 4.35Å; L89-F96 HydrophobicContact CD1-CD2 4.28Å; L89-F96 HydrophobicContact CD1-CG 4.05Å; L89-I133 HydrophobicContact CB-CD1 4.34Å; L89-I133 HydrophobicContact CD2-CD1 4.06Å; L89-I133 HydrophobicContact CG-CD1 4.17Å
90E94.6Very high93.9Very high44 Ų4440.1 Ų40.121%0.20622%0.216CC..Hα-helixtrans-59.3-44.6175.7-175.4-178.7175.300111.1L86 E87 L88 Q92 V93 C129 N132 I133 R136L86-E90 WeakPolarHBondContact O-CB 3.4Å; L86-E90 PolarHBondContact O-N 3.44Å; E87-E90 PolarHBondContact O-N 3.5Å; L88-E90 VanDerWaalsContact C-N 3.3Å; L88-E90 PolarHBondContact O-N 3.04Å; E90-Q92 VanDerWaalsContact C-N 3.28Å; E90-Q92 PolarHBondContact O-N 2.98Å; E90-V93 PolarHBondContact O-N 2.83Å; E90-C129 WeakPolarHBondContact OE2-CA 3.48Å; E90-N132 HydrophobicContact CG-CB 4.3Å; E90-N132 WeakPolarHBondContact OE1-CB 3.27Å; E90-N132 PolarHBondContact OE1-ND2 3.17Å; E90-I133 HydrophobicContact CB-CD1 4.12Å; E90-I133 HydrophobicContact CB-CG1 3.76Å; E90-I133 HydrophobicContact CG-CG1 4.17Å; E90-R136 PolarHBondContact O-NH1 2.55Å
91S94.5Very high94.2Very high81 Ų8141.9 Ų41.957%0.56621%0.213SC*.Hα-helixtrans-64.2-33177.877.70000112.9E87 L88 L89E87-S91 PolarHBondContact O-N 3.21Å; L88-S91 PolarHBondContact O-N 3.39Å; L88-S91 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-OG 2.98Å; L89-S91 VanDerWaalsContact C-N 3.32Å; L89-S91 PolarHBondContact O-N 3.21Å
92Q94.3Very high94.4Very high66 Ų6648.6 Ų48.631%0.30824%0.242SC..THydrogen-bonded Turntrans-103.612.3-176.8-66.5179.4-27.600113.9L88 L89 E90 E94 E95 F96L88-Q92 PolarHBondContact O-N 3.46Å; L89-Q92 CarbonylContact O-C 3.58Å; L89-Q92 PolarHBondContact O-N 3.14Å; E90-Q92 VanDerWaalsContact C-N 3.28Å; E90-Q92 PolarHBondContact O-N 2.98Å; Q92-E94 PolarHBondContact O-N 2.95Å; Q92-E94 VanDerWaalsContact O-N 3.1Å; Q92-E95 PolarHBondContact O-N 2.93Å; Q92-E95 VanDerWaalsContact O-N 3.1Å; Q92-F96 PolarHBondContact O-N 3.4Å; Q92-F96 VanDerWaalsContact O-N 3.15Å
93V95.4Very high94.6Very high0 Ų049.5 Ų49.50%025%0.247CC..Hα-helixtrans-62.7-25.8-171.2760000113.1L89 E90 F96 V97 I133 R136 L137 L140L89-V93 WeakPolarHBondContact O-CA 3.12Å; L89-V93 WeakPolarHBondContact O-CB 3.37Å; L89-V93 PolarHBondContact O-N 3.4Å; E90-V93 PolarHBondContact O-N 2.83Å; V93-F96 PolarHBondContact O-N 2.94Å; V93-V97 HydrophobicContact CG2-CG2 4.38Å; V93-V97 WeakPolarHBondContact O-CB 3.16Å; V93-V97 WeakPolarHBondContact O-CG2 3.38Å; V93-V97 PolarHBondContact O-N 3.41Å; V93-I133 HydrophobicContact CG2-CG2 4.35Å; V93-R136 HydrophobicContact CG1-CB 3.92Å; V93-R136 HydrophobicContact CG1-CG 4.44Å; V93-R136 VanDerWaalsContact CG1-NE 3.25Å; V93-R136 HydrophobicContact CG2-CB 4.48Å; V93-L137 HydrophobicContact CG2-CD2 4.04Å; V93-L137 HydrophobicContact CG2-CG 4.3Å; V93-L140 HydrophobicContact CG1-CD1 4.32Å
94E96.1Very high94.7Very high109 Ų10949.6 Ų49.651%0.50925%0.247SC..Hα-helixtrans-64.5-47.4175.1-85169-145.300111.6Q92 F96 V97 D98 R136 L140Q92-E94 PolarHBondContact O-N 2.95Å; Q92-E94 VanDerWaalsContact O-N 3.1Å; E94-F96 VanDerWaalsContact C-N 3.29Å; E94-F96 PolarHBondContact O-N 3.28Å; E94-V97 PolarHBondContact O-N 3.02Å; E94-D98 PolarHBondContact O-N 3.46Å; E94-R136 IonicContact OE1-CZ 3.96Å; E94-R136 IonicContact OE1-NH2 3.97Å; E94-R136 PolarHBondContact OE1-NH2 3.26Å; E94-L140 HydrophobicContact CG-CD1 3.75Å; E94-L140 HydrophobicContact CG-CD2 4.47Å
95E95.4Very high94.7Very high120 Ų12053.4 Ų53.456%0.56127%0.269SS*.Hα-helixtrans-61.8-41.7175.9-61.8179.2-167.800110.6Q92 V97 D98 V99Q92-E95 PolarHBondContact O-N 2.93Å; Q92-E95 VanDerWaalsContact O-N 3.1Å; E95-V97 PolarHBondContact O-N 2.96Å; E95-D98 PolarHBondContact O-N 2.92Å; E95-V99 WeakPolarHBondContact O-CG2 3.39Å; E95-V99 PolarHBondContact O-N 2.82Å
96F96.2Very high94.8Very high2 Ų259 Ų591%0.00930%0.299CS..Hα-helixtrans-61.9-43.4175.7-173.2-107.7000112.2I44 L46 L59 L64 L89 Q92 V93 E94 V99 I100 L137I44-F96 HydrophobicContact CG2-CE1 4.25Å; I44-F96 HydrophobicContact CG2-CZ 3.56Å; L46-F96 HydrophobicContact CD2-CE1 3.61Å; L46-F96 HydrophobicContact CD2-CE2 4.33Å; L46-F96 HydrophobicContact CD2-CZ 3.39Å; L59-F96 HydrophobicContact CD2-CD2 4.08Å; L59-F96 HydrophobicContact CD2-CE2 3.47Å; L59-F96 VanDerWaalsContact CD2-CE2 3.47Å; L59-F96 HydrophobicContact CD2-CZ 3.72Å; L59-F96 HydrophobicContact CG-CE2 3.91Å; L59-F96 HydrophobicContact CG-CZ 4.32Å; L64-F96 HydrophobicContact CD1-CB 4.25Å; L64-F96 HydrophobicContact CD1-CD2 3.62Å; L64-F96 HydrophobicContact CD1-CE2 4.48Å; L64-F96 HydrophobicContact CD1-CG 4.41Å; L89-F96 HydrophobicContact CD1-CB 4.27Å; L89-F96 HydrophobicContact CD1-CD1 4.35Å; L89-F96 HydrophobicContact CD1-CD2 4.28Å; L89-F96 HydrophobicContact CD1-CG 4.05Å; Q92-F96 PolarHBondContact O-N 3.4Å; Q92-F96 VanDerWaalsContact O-N 3.15Å; V93-F96 PolarHBondContact O-N 2.94Å; E94-F96 VanDerWaalsContact C-N 3.29Å; E94-F96 PolarHBondContact O-N 3.28Å; F96-V99 PolarHBondContact O-N 3.36Å; F96-I100 HydrophobicContact CD1-CD1 3.86Å; F96-I100 HydrophobicContact CE1-CD1 3.58Å; F96-I100 HydrophobicContact CZ-CD1 4.25Å; F96-I100 WeakPolarHBondContact O-CG1 3.43Å; F96-I100 PolarHBondContact O-N 3.42Å; F96-L137 HydrophobicContact CD1-CD2 4.3Å
97V95.9Very high94.7Very high1 Ų162 Ų621%0.00631%0.312CS..Hα-helixtrans-64.6-38.9176.1164.60000111.7V93 E94 E95 V99 I100 K101 L137 L140 L141V93-V97 HydrophobicContact CG2-CG2 4.38Å; V93-V97 WeakPolarHBondContact O-CB 3.16Å; V93-V97 WeakPolarHBondContact O-CG2 3.38Å; V93-V97 PolarHBondContact O-N 3.41Å; E94-V97 PolarHBondContact O-N 3.02Å; E95-V97 PolarHBondContact O-N 2.96Å; V97-V99 VanDerWaalsContact C-N 3.28Å; V97-V99 PolarHBondContact O-N 3.22Å; V97-I100 WeakPolarHBondContact O-CB 3.41Å; V97-I100 PolarHBondContact O-N 3.14Å; V97-I100 VanDerWaalsContact O-N 3.12Å; V97-K101 HydrophobicContact CG1-CD 3.98Å; V97-K101 HydrophobicContact CG1-CG 4.14Å; V97-K101 WeakPolarHBondContact O-CG 3.18Å; V97-K101 PolarHBondContact O-N 2.83Å; V97-L137 HydrophobicContact CG2-CD2 3.55Å; V97-L140 HydrophobicContact CB-CB 4.35Å; V97-L140 HydrophobicContact CB-CD1 4.45Å; V97-L140 HydrophobicContact CG1-CB 3.74Å; V97-L140 HydrophobicContact CG2-CB 4.12Å; V97-L140 HydrophobicContact CG2-CD1 4.11Å; V97-L141 HydrophobicContact CG1-CD2 3.7Å; V97-L141 HydrophobicContact CG1-CG 3.91Å; V97-L141 HydrophobicContact CG2-CG 4.23Å
98D96.1Very high94.5Very high97 Ų9762.2 Ų62.252%0.51932%0.32SS..Hα-helixtrans-62.9-37178.6-75.5-19000111.9E94 E95 K101 K102E94-D98 PolarHBondContact O-N 3.46Å; E95-D98 PolarHBondContact O-N 2.92Å; D98-K101 PolarHBondContact O-N 3.08Å; D98-K102 WeakPolarHBondContact O-CB 3.47Å; D98-K102 PolarHBondContact O-N 3.06Å
99V96.4Very high94.2Very high61 Ų6163.2 Ų63.237%0.3734%0.336SS..Hα-helixtrans-61.2-47.2171.4177.50000110.7L59 E95 F96 V97 K101 K102 M103L59-V99 HydrophobicContact CD1-CG1 3.79Å; L59-V99 HydrophobicContact CD2-CB 4.49Å; L59-V99 HydrophobicContact CD2-CG1 4.01Å; E95-V99 WeakPolarHBondContact O-CG2 3.39Å; E95-V99 PolarHBondContact O-N 2.82Å; F96-V99 PolarHBondContact O-N 3.36Å; V97-V99 VanDerWaalsContact C-N 3.28Å; V97-V99 PolarHBondContact O-N 3.22Å; V99-K101 PolarHBondContact O-N 2.98Å; V99-K102 WeakPolarHBondContact O-CB 3.32Å; V99-K102 PolarHBondContact O-N 3.35Å; V99-M103 HydrophobicContact CG1-SD 4.16Å; V99-M103 WeakPolarHBondContact O-CG 3.36Å; V99-M103 PolarHBondContact O-N 3.19Å; V99-M103 VanDerWaalsContact O-N 3.08Å
100I95.8Very high94Very high0 Ų063.2 Ų63.20%034%0.336CS..Hα-helixtrans-61.8-45.1177.9-63.2171.2000111.1L42 I44 L59 F96 V97 K102 M103 L104 I113 F115 L141L42-I100 HydrophobicContact CD1-CG2 4.48Å; I44-I100 HydrophobicContact CD1-CD1 3.54Å; I44-I100 HydrophobicContact CD1-CG1 3.7Å; I44-I100 HydrophobicContact CD1-CG2 4.39Å; L59-I100 HydrophobicContact CD2-CD1 4.35Å; L59-I100 HydrophobicContact CD2-CG1 3.66Å; F96-I100 HydrophobicContact CD1-CD1 3.86Å; F96-I100 HydrophobicContact CE1-CD1 3.58Å; F96-I100 HydrophobicContact CZ-CD1 4.25Å; F96-I100 WeakPolarHBondContact O-CG1 3.43Å; F96-I100 PolarHBondContact O-N 3.42Å; V97-I100 WeakPolarHBondContact O-CB 3.41Å; V97-I100 PolarHBondContact O-N 3.14Å; V97-I100 VanDerWaalsContact O-N 3.12Å; I100-K102 VanDerWaalsContact C-N 3.3Å; I100-K102 PolarHBondContact O-N 3.38Å; I100-M103 WeakPolarHBondContact O-CB 3.31Å; I100-M103 PolarHBondContact O-N 3.32Å; I100-M103 VanDerWaalsContact O-N 3.14Å; I100-L104 HydrophobicContact CG2-CD1 4.02Å; I100-L104 HydrophobicContact CG2-CG 4.33Å; I100-L104 WeakPolarHBondContact O-CG 3.44Å; I100-L104 PolarHBondContact O-N 2.89Å; I100-I113 HydrophobicContact CG2-CD1 3.92Å; I100-F115 HydrophobicContact CD1-CE1 4.16Å; I100-L141 HydrophobicContact CB-CD2 4.08Å; I100-L141 HydrophobicContact CD1-CD1 4.35Å; I100-L141 HydrophobicContact CG2-CD1 4.22Å; I100-L141 HydrophobicContact CG2-CD2 3.69Å
101K94.7Very high93.9Very high74 Ų7464.8 Ų64.832%0.32234%0.342SS..Hα-helixtrans-58.4-43177.4-77177.5175.3172.90111.6V97 D98 V99 M103 L104 N105 L140 L141V97-K101 HydrophobicContact CG1-CD 3.98Å; V97-K101 HydrophobicContact CG1-CG 4.14Å; V97-K101 WeakPolarHBondContact O-CG 3.18Å; V97-K101 PolarHBondContact O-N 2.83Å; D98-K101 PolarHBondContact O-N 3.08Å; V99-K101 PolarHBondContact O-N 2.98Å; K101-M103 VanDerWaalsContact C-N 3.35Å; K101-L104 PolarHBondContact O-N 2.92Å; K101-N105 WeakPolarHBondContact O-CB 3.46Å; K101-N105 PolarHBondContact O-N 3.03Å; K101-N105 PolarHBondContact O-ND2 2.88Å; K101-L140 WeakPolarHBondContact CE-O 3.38Å; K101-L140 PolarHBondContact NZ-O 2.84Å; K101-L141 HydrophobicContact CG-CD2 3.91Å
102K95.7Very high93.9Very high141 Ų14162.9 Ų62.961%0.61332%0.323SS*.Hα-helixtrans-59.4-46.8175.4-174.9-178.4175.5-174.10111.1D98 V99 I100 L104 N105 D106D98-K102 WeakPolarHBondContact O-CB 3.47Å; D98-K102 PolarHBondContact O-N 3.06Å; V99-K102 WeakPolarHBondContact O-CB 3.32Å; V99-K102 PolarHBondContact O-N 3.35Å; I100-K102 VanDerWaalsContact C-N 3.3Å; I100-K102 PolarHBondContact O-N 3.38Å; K102-L104 VanDerWaalsContact C-N 3.34Å; K102-L104 PolarHBondContact O-N 2.89Å; K102-N105 PolarHBondContact O-N 3.1Å; K102-D106 VanDerWaalsContact O-CG 3.3Å; K102-D106 PolarHBondContact O-N 2.94Å
103M95.1Very high94.1Very high32 Ų3259.8 Ų59.816%0.15831%0.308CS..Hα-helixtrans-61.8-40.1177.8-63.9167.67600112.7L42 D58 L59 V99 I100 K101 D106 K107L42-M103 HydrophobicContact CD1-CB 4.02Å; L42-M103 HydrophobicContact CD1-CE 4.48Å; L42-M103 HydrophobicContact CD2-CE 4.04Å; D58-M103 HydrophobicContact CB-CE 3.46Å; D58-M103 VanDerWaalsContact CB-CE 3.46Å; D58-M103 WeakPolarHBondContact O-CE 3.35Å; L59-M103 HydrophobicContact CB-CE 4.24Å; L59-M103 HydrophobicContact CB-SD 4.14Å; L59-M103 HydrophobicContact CD2-SD 4.4Å; V99-M103 HydrophobicContact CG1-SD 4.16Å; V99-M103 WeakPolarHBondContact O-CG 3.36Å; V99-M103 PolarHBondContact O-N 3.19Å; V99-M103 VanDerWaalsContact O-N 3.08Å; I100-M103 WeakPolarHBondContact O-CB 3.31Å; I100-M103 PolarHBondContact O-N 3.32Å; I100-M103 VanDerWaalsContact O-N 3.14Å; K101-M103 VanDerWaalsContact C-N 3.35Å; M103-D106 PolarHBondContact O-N 2.8Å; M103-K107 WeakPolarHBondContact O-CB 3.48Å; M103-K107 PolarHBondContact O-N 3.32Å
104L93.4Very high94.2Very high21 Ų2159.8 Ų59.811%0.1131%0.308CS..Hα-helixtrans-68.2-33.5175.6-68.4172.3000112.7V10 L42 I100 K101 K102 K107 C110 I113V10-L104 HydrophobicContact CG2-CD1 4.3Å; L42-L104 HydrophobicContact CD1-CD2 3.74Å; L42-L104 HydrophobicContact CD1-CG 4.05Å; L42-L104 HydrophobicContact CG-CD2 4.43Å; I100-L104 HydrophobicContact CG2-CD1 4.02Å; I100-L104 HydrophobicContact CG2-CG 4.33Å; I100-L104 WeakPolarHBondContact O-CG 3.44Å; I100-L104 PolarHBondContact O-N 2.89Å; K101-L104 PolarHBondContact O-N 2.92Å; K102-L104 VanDerWaalsContact C-N 3.34Å; K102-L104 PolarHBondContact O-N 2.89Å; L104-K107 CarbonylContact O-C 3.58Å; L104-K107 PolarHBondContact O-N 2.91Å; L104-K107 VanDerWaalsContact O-O 3.04Å; L104-C110 HydrophobicContact CD2-CB 4.26Å; L104-I113 HydrophobicContact CD1-CD1 4.21Å
105N92.7Very high94.2Very high125 Ų12554.6 Ų54.667%0.66828%0.284SS*.Hα-helixtrans-70.1-39.1174.7-71.9-26.9000111.7K101 K102 K107K101-N105 WeakPolarHBondContact O-CB 3.46Å; K101-N105 PolarHBondContact O-N 3.03Å; K101-N105 PolarHBondContact O-ND2 2.88Å; K102-N105 PolarHBondContact O-N 3.1Å; N105-K107 VanDerWaalsContact C-N 3.26Å; N105-K107 PolarHBondContact O-N 2.84Å
106D93.9Very high94.2Very high116 Ų11648.9 Ų48.962%0.6226%0.258SS*.Hα-helixtrans-68.8-27.6175.4-66.7-19.9000111.6K102 M103 P108K102-D106 VanDerWaalsContact O-CG 3.3Å; K102-D106 PolarHBondContact O-N 2.94Å; M103-D106 PolarHBondContact O-N 2.8Å; D106-P108 WeakPolarHBondContact O-CD 3.39Å
107K91.3Very high94.1Very high72 Ų7249.1 Ų49.131%0.31326%0.259SS..  trans-120.472.5178.1-62.7172.7175.8179.40111.3E40 L42 D58 M103 L104 N105 A109 C110E40-K107 WeakPolarHBondContact OE1-CD 3.43Å; L42-K107 HydrophobicContact CD2-CD 4.19Å; D58-K107 IonicContact OD1-NZ 2.75Å; D58-K107 PolarHBondContact OD1-NZ 3.07Å; M103-K107 WeakPolarHBondContact O-CB 3.48Å; M103-K107 PolarHBondContact O-N 3.32Å; L104-K107 CarbonylContact O-C 3.58Å; L104-K107 PolarHBondContact O-N 2.91Å; L104-K107 VanDerWaalsContact O-O 3.04Å; N105-K107 VanDerWaalsContact C-N 3.26Å; N105-K107 PolarHBondContact O-N 2.84Å; K107-A109 PolarHBondContact O-N 3.35Å; K107-A109 VanDerWaalsContact O-N 3.07Å; K107-C110 HydrophobicContact CB-CB 3.92Å; K107-C110 WeakPolarHBondContact O-CB 3.45Å; K107-C110 PolarHBondContact O-N 3.34Å
108P87.2Confident93.9Very high92 Ų9249.1 Ų49.160%0.59726%0.259SS*.THydrogen-bonded Turntrans-65.3-18.6-172.325.7-35.3000114.6D106 C110 K111D106-P108 WeakPolarHBondContact O-CD 3.39Å; P108-C110 VanDerWaalsContact C-N 3.34Å; P108-K111 WeakPolarHBondContact O-CE 3.5Å; P108-K111 PolarHBondContact O-NZ 2.89Å; P108-K111 VanDerWaalsContact O-NZ 3.17Å
109A88.7Confident93.5Very high72 Ų7244.9 Ų44.960%0.59524%0.238SC*.THydrogen-bonded Turntrans-77.8-19.2173.300000112.8K107 K111K107-A109 PolarHBondContact O-N 3.35Å; K107-A109 VanDerWaalsContact O-N 3.07Å; A109-K111 PolarHBondContact O-N 3.01Å
110C91.5Very high92.9Very high1 Ų145.2 Ų45.21%0.00724%0.235CC..  trans-71.7121.8175.2-1720000110.8E40 L104 K107 P108E40-C110 HydrophobicContact CB-CB 4.21Å; E40-C110 HydrophobicContact CG-CB 3.89Å; E40-C110 WeakPolarHBondContact O-CA 3.28Å; E40-C110 PolarHBondContact O-SG 3.48Å; E40-C110 PolarHBondContact OE2-N 3.25Å; L104-C110 HydrophobicContact CD2-CB 4.26Å; K107-C110 HydrophobicContact CB-CB 3.92Å; K107-C110 WeakPolarHBondContact O-CB 3.45Å; K107-C110 PolarHBondContact O-N 3.34Å; P108-C110 VanDerWaalsContact C-N 3.34Å
111K90.9Very high91.9Very high77 Ų7746.7 Ų46.734%0.33525%0.248SC..  trans-130.79.7-180-60-64.3167-159.20112.7S8 Y11 E40 P108 A109S8-K111 PolarHBondContact OG-NZ 3.27Å; Y11-K111 PolarHBondContact N-O 3.43Å; E40-K111 PolarHBondContact O-N 3.45Å; P108-K111 WeakPolarHBondContact O-CE 3.5Å; P108-K111 PolarHBondContact O-NZ 2.89Å; P108-K111 VanDerWaalsContact O-NZ 3.17Å; A109-K111 PolarHBondContact O-N 3.01Å
112Y95.7Very high91Very high42 Ų4247.6 Ų47.617%0.16525%0.253CS..EExtended strand (participates in β ladder)trans-133.4138.4-175.3-144.6-95.6000111.4Y11 Q13 L34 T41 L42 L114Y11-Y112 CarbonylContact O-C 3.57Å; Y11-Y112 VanDerWaalsContact O-CA 3.28Å; Y11-Y112 WeakPolarHBondContact O-CA 3.43Å; Q13-Y112 HydrophobicContact CG-CE1 3.69Å; Q13-Y112 WeakPolarHBondContact CG-OH 3.47Å; Q13-Y112 PolarHBondContact NE2-OH 2.86Å; L34-Y112 HydrophobicContact CD1-CD1 3.39Å; L34-Y112 HydrophobicContact CD1-CE1 3.44Å; L34-Y112 VanDerWaalsContact CD1-CE1 3.44Å; L34-Y112 HydrophobicContact CD1-CG 4.16Å; T41-Y112 CarbonylContact C-O 3.56Å; T41-Y112 WeakPolarHBondContact CA-O 3.04Å; T41-Y112 HydrophobicContact CG2-CD1 3.92Å; L42-Y112 PolarHBondContact N-O 2.94Å; Y112-L114 HydrophobicContact CD1-CD2 4.12Å; Y112-L114 HydrophobicContact CD1-CG 4.46Å; Y112-L114 HydrophobicContact CE1-CD2 3.76Å
113I97.2Very high90.3Very high0 Ų041.1 Ų41.10%023%0.225CC..EExtended strand (participates in β ladder)trans-130.6130.7178.8-50.3175.8000109.5V10 Y11 G12 Q13 L42 I44 I100 L104 F115 L141V10-I113 HydrophobicContact CG1-CD1 3.67Å; V10-I113 HydrophobicContact CG1-CG1 3.87Å; Y11-I113 PolarHBondContact O-N 3.17Å; G12-I113 CarbonylContact C-O 3.09Å; G12-I113 WeakPolarHBondContact CA-O 3.41Å; Q13-I113 PolarHBondContact N-O 2.9Å; L42-I113 HydrophobicContact CB-CG2 4.38Å; L42-I113 CarbonylContact O-C 3.48Å; L42-I113 WeakPolarHBondContact O-CA 3.43Å; I44-I113 HydrophobicContact CD1-CG2 3.51Å; I44-I113 HydrophobicContact CG1-CG2 3.99Å; I100-I113 HydrophobicContact CG2-CD1 3.92Å; L104-I113 HydrophobicContact CD1-CD1 4.21Å; I113-F115 HydrophobicContact CB-CE2 4Å; I113-F115 HydrophobicContact CB-CZ 4.23Å; I113-F115 HydrophobicContact CD1-CZ 4.41Å; I113-F115 HydrophobicContact CG2-CD1 4.35Å; I113-F115 HydrophobicContact CG2-CD2 4.07Å; I113-F115 HydrophobicContact CG2-CE1 3.87Å; I113-F115 HydrophobicContact CG2-CE2 3.54Å; I113-F115 HydrophobicContact CG2-CG 4.45Å; I113-F115 HydrophobicContact CG2-CZ 3.44Å; I113-F115 VanDerWaalsContact CG2-CZ 3.44Å; I113-L141 HydrophobicContact CD1-CD1 4.29Å
114L97.8Very high89.4Confident0 Ų039.9 Ų39.90%022%0.219CC..EExtended strand (participates in β ladder)trans-106.8125171-61.5174.6000108.3Q13 C27 M30 K31 L34 T41 L42 L43 I44 Y112Q13-L114 HydrophobicContact CB-CD2 3.65Å; Q13-L114 VanDerWaalsContact CD-CD2 3.48Å; Q13-L114 HydrophobicContact CG-CD2 3.8Å; C27-L114 WeakPolarHBondContact O-CD1 3.48Å; M30-L114 HydrophobicContact CB-CD1 4.05Å; M30-L114 HydrophobicContact CG-CD1 3.98Å; M30-L114 HydrophobicContact CG-CD2 3.97Å; K31-L114 HydrophobicContact CB-CD1 3.98Å; L34-L114 HydrophobicContact CD1-CD2 4.41Å; T41-L114 HydrophobicContact CG2-CD1 3.72Å; T41-L114 HydrophobicContact CG2-CG 3.6Å; L42-L114 PolarHBondContact O-N 3.31Å; L43-L114 HydrophobicContact CD1-CB 3.75Å; L43-L114 HydrophobicContact CD1-CD1 4.44Å; I44-L114 PolarHBondContact N-O 3.36Å; Y112-L114 HydrophobicContact CD1-CD2 4.12Å; Y112-L114 HydrophobicContact CD1-CG 4.46Å; Y112-L114 HydrophobicContact CE1-CD2 3.76Å
115F97.2Very high88.4Confident0 Ų039.8 Ų39.80%022%0.219CC..EExtended strand (participates in β ladder)trans-106.7116.4173.1-61.6-80.8000108.8Q13 V14 V15 I44 L46 I100 I113 L117 L137 L141 L145Q13-F115 PolarHBondContact O-N 2.84Å; V14-F115 HydrophobicContact CG2-CD2 4.33Å; V15-F115 WeakPolarHBondContact CB-O 3.35Å; V15-F115 PolarHBondContact N-O 3.03Å; I44-F115 HydrophobicContact CB-CD1 3.99Å; I44-F115 HydrophobicContact CB-CE1 4.34Å; I44-F115 HydrophobicContact CD1-CD1 4.28Å; I44-F115 HydrophobicContact CD1-CE1 3.75Å; I44-F115 HydrophobicContact CD1-CZ 4.39Å; I44-F115 HydrophobicContact CG2-CD1 4.06Å; I44-F115 HydrophobicContact CG2-CE1 4.32Å; L46-F115 HydrophobicContact CD1-CB 4.04Å; L46-F115 HydrophobicContact CD1-CD1 3.73Å; L46-F115 HydrophobicContact CD1-CG 4.23Å; L46-F115 HydrophobicContact CG-CD1 4.18Å; I100-F115 HydrophobicContact CD1-CE1 4.16Å; I113-F115 HydrophobicContact CB-CE2 4Å; I113-F115 HydrophobicContact CB-CZ 4.23Å; I113-F115 HydrophobicContact CD1-CZ 4.41Å; I113-F115 HydrophobicContact CG2-CD1 4.35Å; I113-F115 HydrophobicContact CG2-CD2 4.07Å; I113-F115 HydrophobicContact CG2-CE1 3.87Å; I113-F115 HydrophobicContact CG2-CE2 3.54Å; I113-F115 HydrophobicContact CG2-CG 4.45Å; I113-F115 HydrophobicContact CG2-CZ 3.44Å; I113-F115 VanDerWaalsContact CG2-CZ 3.44Å; F115-L117 HydrophobicContact CB-CD1 3.89Å; F115-L117 WeakPolarHBondContact O-CD1 3.29Å; F115-L137 HydrophobicContact CD1-CD1 4.48Å; F115-L137 HydrophobicContact CE1-CD1 4.03Å; F115-L137 HydrophobicContact CZ-CD1 4.14Å; F115-L141 HydrophobicContact CZ-CD1 4.38Å; F115-L145 HydrophobicContact CD2-CD2 4.32Å; F115-L145 HydrophobicContact CE2-CD2 3.84Å
116D95.1Very high87.5Confident1 Ų140.8 Ų40.81%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-91.9109.6172-166.413.7000109.2T24 C27 I44 L46 Y57T24-D116 VanDerWaalsContact CA-OD2 3.23Å; T24-D116 WeakPolarHBondContact CA-OD2 3.44Å; T24-D116 VanDerWaalsContact CB-OD2 3.28Å; T24-D116 WeakPolarHBondContact CB-OD2 3.37Å; T24-D116 PolarHBondContact OG1-OD2 3.04Å; C27-D116 HydrophobicContact CB-CB 4.43Å; I44-D116 PolarHBondContact O-N 3.49Å; L46-D116 WeakPolarHBondContact CA-O 3.47Å; L46-D116 WeakPolarHBondContact CB-O 3.46Å; L46-D116 PolarHBondContact N-O 2.92Å; Y57-D116 HydrophobicContact CE1-CB 4.26Å; Y57-D116 PolarHBondContact OH-OD2 3.04Å
117L94Very high86.9Confident7 Ų738.4 Ų38.44%0.03720%0.204CC..  trans-96.7159.4-175.7-76.889.8000112.6V14 V15 I16 K23 L46 F115 Y124 V130V14-L117 HydrophobicContact CB-CD1 4.34Å; V14-L117 HydrophobicContact CG1-CD1 3.43Å; V14-L117 VanDerWaalsContact CG1-CD1 3.43Å; V14-L117 HydrophobicContact CG1-CD2 4.21Å; V14-L117 HydrophobicContact CG1-CG 4.48Å; V15-L117 WeakPolarHBondContact O-CB 3.36Å; V15-L117 PolarHBondContact O-N 3.17Å; I16-L117 HydrophobicContact CG2-CB 4.37Å; I16-L117 HydrophobicContact CG2-CD1 4.37Å; I16-L117 HydrophobicContact CG2-CD2 4.31Å; K23-L117 WeakPolarHBondContact CE-O 3.22Å; L46-L117 HydrophobicContact CB-CG 4.37Å; L46-L117 HydrophobicContact CD1-CD1 4.44Å; L46-L117 HydrophobicContact CD1-CG 4.26Å; F115-L117 HydrophobicContact CB-CD1 3.89Å; F115-L117 WeakPolarHBondContact O-CD1 3.29Å; L117-Y124 HydrophobicContact CB-CE1 4.29Å; L117-Y124 WeakPolarHBondContact CB-OH 3.38Å; L117-Y124 HydrophobicContact CD2-CE1 3.91Å; L117-V130 HydrophobicContact CD2-CG1 3.68Å
118P92.1Very high86.7Confident1 Ų140.5 Ų40.51%0.00622%0.215CC..  trans-58.4147.1-177.9-11.215.8000114L46 D47 M82 L86 Q120 L123 Y124L46-P118 WeakPolarHBondContact O-CD 3.46Å; D47-P118 HydrophobicContact CB-CB 4.11Å; D47-P118 HydrophobicContact CB-CG 4.19Å; D47-P118 VanDerWaalsContact CG-CA 3.48Å; D47-P118 WeakPolarHBondContact OD2-CA 3.43Å; M82-P118 HydrophobicContact CE-CB 4.27Å; M82-P118 HydrophobicContact SD-CB 4.23Å; M82-P118 HydrophobicContact SD-CG 4.3Å; L86-P118 HydrophobicContact CD2-CG 4.39Å; P118-Q120 VanDerWaalsContact C-N 3.3Å; P118-Q120 PolarHBondContact O-N 2.98Å; P118-L123 HydrophobicContact CB-CD1 3.65Å; P118-L123 HydrophobicContact CG-CD1 3.87Å; P118-Y124 WeakPolarHBondContact O-CE2 3.48Å; P118-Y124 PolarHBondContact O-OH 2.99Å
119G86.3Confident86.7Confident7 Ų736.6 Ų36.67%0.07219%0.19CC..SBendtrans-73.4-10.7-175.300000116.8P18 P19 A121P18-G119 CarbonylContact C-O 3.6Å; P18-G119 VanDerWaalsContact C-O 3.29Å; P18-G119 VanDerWaalsContact CA-O 3.31Å; P18-G119 WeakPolarHBondContact CA-O 3.48Å; P19-G119 WeakPolarHBondContact CD-O 3.18Å; P19-G119 WeakPolarHBondContact CG-O 3.37Å; P19-G119 VanDerWaalsContact N-O 3.13Å; G119-A121 PolarHBondContact O-N 3.12Å
120Q84.4Confident86.9Confident68 Ų6833.3 Ų33.332%0.31816%0.163SC..  trans-75.1117.8-171.8-51.8-55.7-22.500110.9P118 E122 L123 Y124P118-Q120 VanDerWaalsContact C-N 3.3Å; P118-Q120 PolarHBondContact O-N 2.98Å; Q120-E122 PolarHBondContact O-N 3.28Å; Q120-L123 HydrophobicContact CB-CD1 3.95Å; Q120-L123 HydrophobicContact CB-CG 3.99Å; Q120-L123 HydrophobicContact CG-CD1 4.46Å; Q120-L123 PolarHBondContact O-N 3.43Å; Q120-Y124 WeakPolarHBondContact O-CD2 3.34Å; Q120-Y124 WeakPolarHBondContact O-CE2 3.49Å
121A74.8Confident87Confident32 Ų3235.4 Ų35.426%0.26417%0.172SC..Hα-helixtrans-61.4-27.7-178.100000112.3G119 L123 Y124 T125G119-A121 PolarHBondContact O-N 3.12Å; A121-L123 PolarHBondContact O-N 3.46Å; A121-Y124 PolarHBondContact O-N 3.47Å; A121-T125 WeakPolarHBondContact O-CG2 3.28Å; A121-T125 PolarHBondContact O-N 3.15Å; A121-T125 PolarHBondContact O-OG1 2.98Å
122E76.5Confident87.1Confident93 Ų9333.7 Ų33.744%0.43517%0.167SC..Hα-helixtrans-58.1-32.5178.2-65.384.6170.600112.6Q120 Y124 T125 H126Q120-E122 PolarHBondContact O-N 3.28Å; E122-Y124 VanDerWaalsContact C-N 3.34Å; E122-Y124 PolarHBondContact O-N 3.42Å; E122-T125 WeakPolarHBondContact CA-OG1 3.45Å; E122-T125 PolarHBondContact O-N 3.5Å; E122-T125 PolarHBondContact O-OG1 2.96Å; E122-H126 PolarHBondContact O-N 3.25Å
123L81Confident87.1Confident4 Ų432 Ų322%0.02116%0.161CC..Hα-helixtrans-71.2-30.8-177.3-58.1174.3000112.5M82 V83 L86 P118 Q120 A121 V130M82-L123 HydrophobicContact CG-CD1 3.7Å; M82-L123 HydrophobicContact CG-CD2 4.19Å; V83-L123 HydrophobicContact CG2-CD2 3.78Å; L86-L123 HydrophobicContact CD1-CB 4.18Å; L86-L123 HydrophobicContact CD1-CD1 3.89Å; L86-L123 HydrophobicContact CD1-CD2 4.01Å; L86-L123 HydrophobicContact CD1-CG 4.23Å; P118-L123 HydrophobicContact CB-CD1 3.65Å; P118-L123 HydrophobicContact CG-CD1 3.87Å; Q120-L123 HydrophobicContact CB-CD1 3.95Å; Q120-L123 HydrophobicContact CB-CG 3.99Å; Q120-L123 HydrophobicContact CG-CD1 4.46Å; Q120-L123 PolarHBondContact O-N 3.43Å; A121-L123 PolarHBondContact O-N 3.46Å; L123-V130 HydrophobicContact CB-CG2 4.3Å
124Y76.6Confident87Confident6 Ų632.1 Ų32.12%0.02416%0.161CC..Hα-helixtrans-88.7-18.4177-48.8-70.8000112.5I16 L117 P118 Q120 A121 E122 V130I16-Y124 HydrophobicContact CB-CD1 4.32Å; I16-Y124 HydrophobicContact CB-CE1 3.83Å; I16-Y124 HydrophobicContact CB-CE2 4.28Å; I16-Y124 HydrophobicContact CG2-CD1 4.01Å; I16-Y124 HydrophobicContact CG2-CE1 3.38Å; L117-Y124 HydrophobicContact CB-CE1 4.29Å; L117-Y124 WeakPolarHBondContact CB-OH 3.38Å; L117-Y124 HydrophobicContact CD2-CE1 3.91Å; P118-Y124 WeakPolarHBondContact O-CE2 3.48Å; P118-Y124 PolarHBondContact O-OH 2.99Å; Q120-Y124 WeakPolarHBondContact O-CD2 3.34Å; Q120-Y124 WeakPolarHBondContact O-CE2 3.49Å; A121-Y124 PolarHBondContact O-N 3.47Å; E122-Y124 VanDerWaalsContact C-N 3.34Å; E122-Y124 PolarHBondContact O-N 3.42Å; Y124-V130 HydrophobicContact CD1-CB 4.46Å; Y124-V130 HydrophobicContact CD1-CG1 3.97Å; Y124-V130 HydrophobicContact CD1-CG2 4.28Å; Y124-V130 HydrophobicContact CE1-CG1 4.01Å; Y124-V130 HydrophobicContact CE1-CG2 4.32Å
125T71.4Confident86.9Confident19 Ų1936.8 Ų36.812%0.11718%0.183CC..Hα-helixtrans-96.8-48.7-173.247.90000112.3A121 E122 Y171A121-T125 WeakPolarHBondContact O-CG2 3.28Å; A121-T125 PolarHBondContact O-N 3.15Å; A121-T125 PolarHBondContact O-OG1 2.98Å; E122-T125 WeakPolarHBondContact CA-OG1 3.45Å; E122-T125 PolarHBondContact O-N 3.5Å; E122-T125 PolarHBondContact O-OG1 2.96Å; T125-Y171 HydrophobicContact CG2-CD1 3.83Å; T125-Y171 HydrophobicContact CG2-CE1 4.11Å; T125-Y171 WeakPolarHBondContact O-CE1 3.36Å; T125-Y171 PolarHBondContact O-OH 2.95Å
126H73.9Confident86.8Confident146 Ų14640.3 Ų40.368%0.67620%0.196SC*.THydrogen-bonded Turntrans-105.5-24.1-167.9-64.277.2000114.1E122E122-H126 PolarHBondContact O-N 3.25Å
127H80.7Confident86.8Confident66 Ų6640.2 Ų40.231%0.30620%0.196SC..  trans-106.4144.2-174.4-64.7-81.5000111.8V83V83-H127 WeakPolarHBondContact CG2-NE2 3.34Å
128E86.7Confident86.9Confident116 Ų11642.5 Ų42.554%0.54221%0.206SC..SBendtrans-86.5-12.4177.9-64.6-175.2165.700112.4V130 H131 N132 R175E128-V130 VanDerWaalsContact C-N 3.31Å; E128-V130 PolarHBondContact O-N 3.29Å; E128-H131 WeakPolarHBondContact O-CB 3.24Å; E128-H131 PolarHBondContact O-N 3.5Å; E128-N132 PolarHBondContact O-N 3.43Å; E128-R175 IonicContact OE1-NH1 3.96Å
129C88.8Confident87Confident10 Ų1047.6 Ų47.67%0.06824%0.237CC..Hα-helixtrans-54.1-45.7-173-40.40000112.1L86 E90 H131 N132 I133L86-C129 HydrophobicContact CB-CB 4.1Å; E90-C129 WeakPolarHBondContact OE2-CA 3.48Å; C129-H131 PolarHBondContact O-N 2.95Å; C129-N132 PolarHBondContact O-N 3.02Å; C129-I133 WeakPolarHBondContact O-CB 3.38Å; C129-I133 WeakPolarHBondContact O-CD1 3.42Å; C129-I133 WeakPolarHBondContact O-CG1 3.33Å; C129-I133 PolarHBondContact O-N 2.93Å
130V92.2Very high87.4Confident4 Ų449.5 Ų49.52%0.02425%0.246CC..Hα-helixtrans-62.6-47.3179.5179.50000110.7L86 L117 L123 Y124 E128 N132 I133 L134 L176L86-V130 HydrophobicContact CD1-CG2 3.79Å; L117-V130 HydrophobicContact CD2-CG1 3.68Å; L123-V130 HydrophobicContact CB-CG2 4.3Å; Y124-V130 HydrophobicContact CD1-CB 4.46Å; Y124-V130 HydrophobicContact CD1-CG1 3.97Å; Y124-V130 HydrophobicContact CD1-CG2 4.28Å; Y124-V130 HydrophobicContact CE1-CG1 4.01Å; Y124-V130 HydrophobicContact CE1-CG2 4.32Å; E128-V130 VanDerWaalsContact C-N 3.31Å; E128-V130 PolarHBondContact O-N 3.29Å; V130-N132 VanDerWaalsContact C-N 3.34Å; V130-N132 PolarHBondContact O-N 3.32Å; V130-I133 PolarHBondContact O-N 3.43Å; V130-L134 HydrophobicContact CG1-CD1 3.85Å; V130-L134 HydrophobicContact CG1-CG 4.26Å; V130-L134 WeakPolarHBondContact O-CB 3.38Å; V130-L134 WeakPolarHBondContact O-CG 3.41Å; V130-L134 PolarHBondContact O-N 3.05Å; V130-L176 HydrophobicContact CB-CD2 4.49Å; V130-L176 HydrophobicContact CG1-CD2 3.94Å
131H93.1Very high87.9Confident44 Ų4446.9 Ų46.920%0.20423%0.234CC..Hα-helixtrans-58.4-47.6177.8175.779000111.4E128 C129 L134 Q135 R175 L176E128-H131 WeakPolarHBondContact O-CB 3.24Å; E128-H131 PolarHBondContact O-N 3.5Å; C129-H131 PolarHBondContact O-N 2.95Å; H131-L134 PolarHBondContact O-N 3.4Å; H131-Q135 PolarHBondContact CE1-NE2 3.36Å; H131-Q135 PolarHBondContact NE2-NE2 2.73Å; H131-Q135 WeakPolarHBondContact O-CG 3.48Å; H131-Q135 PolarHBondContact O-N 3.41Å; H131-R175 PolarHBondContact ND1-O 2.91Å; H131-L176 PolarHBondContact ND1-O 3.36Å
132N94.4Very high88.7Confident41 Ų4153 Ų5322%0.21926%0.257CS..Hα-helixtrans-64-43.8-179.6-64.9-8.7000112.2E90 E128 C129 V130 L134 Q135 R136E90-N132 HydrophobicContact CG-CB 4.3Å; E90-N132 WeakPolarHBondContact OE1-CB 3.27Å; E90-N132 PolarHBondContact OE1-ND2 3.17Å; E128-N132 PolarHBondContact O-N 3.43Å; C129-N132 PolarHBondContact O-N 3.02Å; V130-N132 VanDerWaalsContact C-N 3.34Å; V130-N132 PolarHBondContact O-N 3.32Å; N132-L134 PolarHBondContact O-N 3.2Å; N132-Q135 PolarHBondContact O-N 3.16Å; N132-R136 WeakPolarHBondContact O-CB 3.18Å; N132-R136 WeakPolarHBondContact O-CG 3.33Å; N132-R136 PolarHBondContact O-N 2.95Å
133I94.9Very high89.5Confident7 Ų748.8 Ų48.84%0.03624%0.238CC..Hα-helixtrans-57.7-50.6174.8-71.1162.1000109.6L86 L89 E90 V93 C129 V130 Q135 R136 L137L86-I133 HydrophobicContact CB-CD1 4.5Å; L86-I133 HydrophobicContact CD2-CD1 4.49Å; L89-I133 HydrophobicContact CB-CD1 4.34Å; L89-I133 HydrophobicContact CD2-CD1 4.06Å; L89-I133 HydrophobicContact CG-CD1 4.17Å; E90-I133 HydrophobicContact CB-CD1 4.12Å; E90-I133 HydrophobicContact CB-CG1 3.76Å; E90-I133 HydrophobicContact CG-CG1 4.17Å; V93-I133 HydrophobicContact CG2-CG2 4.35Å; C129-I133 WeakPolarHBondContact O-CB 3.38Å; C129-I133 WeakPolarHBondContact O-CD1 3.42Å; C129-I133 WeakPolarHBondContact O-CG1 3.33Å; C129-I133 PolarHBondContact O-N 2.93Å; V130-I133 PolarHBondContact O-N 3.43Å; I133-Q135 PolarHBondContact O-N 3.48Å; I133-R136 PolarHBondContact O-N 3.26Å; I133-L137 HydrophobicContact CG2-CD1 3.85Å; I133-L137 HydrophobicContact CG2-CG 4.14Å; I133-L137 WeakPolarHBondContact O-CB 3.44Å; I133-L137 VanDerWaalsContact O-CG 3.26Å; I133-L137 WeakPolarHBondContact O-CG 3.36Å; I133-L137 PolarHBondContact O-N 3.27Å
134L95.1Very high90.2Very high3 Ų353.2 Ų53.22%0.01626%0.258CS..Hα-helixtrans-63.6-40.5-177.9-65.2176.9000112.4V14 V130 H131 N132 L137 Q138 L145 L176 L178V14-L134 HydrophobicContact CB-CD2 4.36Å; V14-L134 HydrophobicContact CG1-CD1 3.69Å; V14-L134 HydrophobicContact CG1-CD2 3.76Å; V14-L134 HydrophobicContact CG1-CG 4.38Å; V14-L134 HydrophobicContact CG2-CD1 4.43Å; V14-L134 HydrophobicContact CG2-CD2 3.6Å; V130-L134 HydrophobicContact CG1-CD1 3.85Å; V130-L134 HydrophobicContact CG1-CG 4.26Å; V130-L134 WeakPolarHBondContact O-CB 3.38Å; V130-L134 WeakPolarHBondContact O-CG 3.41Å; V130-L134 PolarHBondContact O-N 3.05Å; H131-L134 PolarHBondContact O-N 3.4Å; N132-L134 PolarHBondContact O-N 3.2Å; L134-L137 HydrophobicContact CD2-CD1 4.21Å; L134-L137 PolarHBondContact O-N 3.3Å; L134-Q138 PolarHBondContact O-N 3.25Å; L134-L145 HydrophobicContact CB-CD1 4.44Å; L134-L145 HydrophobicContact CD2-CD1 4.17Å; L134-L176 HydrophobicContact CD1-CD2 4.16Å; L134-L178 HydrophobicContact CD1-CD1 3.98Å
135Q95.1Very high91.2Very high97 Ų9753.2 Ų53.245%0.45326%0.259SS..Hα-helixtrans-62.7-43.1174.3-76.2-169.2-24.200112.4H131 N132 I133 Q138 T139H131-Q135 PolarHBondContact CE1-NE2 3.36Å; H131-Q135 PolarHBondContact NE2-NE2 2.73Å; H131-Q135 WeakPolarHBondContact O-CG 3.48Å; H131-Q135 PolarHBondContact O-N 3.41Å; N132-Q135 PolarHBondContact O-N 3.16Å; I133-Q135 PolarHBondContact O-N 3.48Å; Q135-Q138 PolarHBondContact O-N 3.47Å; Q135-T139 WeakPolarHBondContact O-CB 3.26Å; Q135-T139 PolarHBondContact O-N 2.89Å; Q135-T139 PolarHBondContact O-OG1 2.95Å
136R95.8Very high92.4Very high74 Ų7454.4 Ų54.428%0.27927%0.266SS..Hα-helixtrans-67.4-40.2176.2-72.3-173.572.1-166.92.2111.4E90 V93 E94 N132 I133 T139 L140E90-R136 PolarHBondContact O-NH1 2.55Å; V93-R136 HydrophobicContact CG1-CB 3.92Å; V93-R136 HydrophobicContact CG1-CG 4.44Å; V93-R136 VanDerWaalsContact CG1-NE 3.25Å; V93-R136 HydrophobicContact CG2-CB 4.48Å; E94-R136 IonicContact OE1-CZ 3.96Å; E94-R136 IonicContact OE1-NH2 3.97Å; E94-R136 PolarHBondContact OE1-NH2 3.26Å; N132-R136 WeakPolarHBondContact O-CB 3.18Å; N132-R136 WeakPolarHBondContact O-CG 3.33Å; N132-R136 PolarHBondContact O-N 2.95Å; I133-R136 PolarHBondContact O-N 3.26Å; R136-T139 PolarHBondContact O-N 2.95Å; R136-L140 HydrophobicContact CB-CD1 4.3Å; R136-L140 VanDerWaalsContact O-CB 3.24Å; R136-L140 WeakPolarHBondContact O-CB 3.38Å; R136-L140 WeakPolarHBondContact O-CG 3.42Å; R136-L140 PolarHBondContact O-N 3.05Å
137L95.7Very high93.5Very high0 Ų047.4 Ų47.40%023%0.234CC..Hα-helixtrans-57.8-49.8173.4-73.3176.4000110.9V93 F96 V97 F115 I133 L134 T139 L141V93-L137 HydrophobicContact CG2-CD2 4.04Å; V93-L137 HydrophobicContact CG2-CG 4.3Å; F96-L137 HydrophobicContact CD1-CD2 4.3Å; V97-L137 HydrophobicContact CG2-CD2 3.55Å; F115-L137 HydrophobicContact CD1-CD1 4.48Å; F115-L137 HydrophobicContact CE1-CD1 4.03Å; F115-L137 HydrophobicContact CZ-CD1 4.14Å; I133-L137 HydrophobicContact CG2-CD1 3.85Å; I133-L137 HydrophobicContact CG2-CG 4.14Å; I133-L137 WeakPolarHBondContact O-CB 3.44Å; I133-L137 VanDerWaalsContact O-CG 3.26Å; I133-L137 WeakPolarHBondContact O-CG 3.36Å; I133-L137 PolarHBondContact O-N 3.27Å; L134-L137 HydrophobicContact CD2-CD1 4.21Å; L134-L137 PolarHBondContact O-N 3.3Å; L137-T139 PolarHBondContact O-N 3.09Å; L137-L141 HydrophobicContact CB-CD1 4.44Å; L137-L141 HydrophobicContact CD2-CD1 4.14Å; L137-L141 WeakPolarHBondContact O-CB 3.41Å; L137-L141 WeakPolarHBondContact O-CG 3.19Å; L137-L141 PolarHBondContact O-N 3.4Å
138Q94.7Very high94.2Very high54 Ų5444.4 Ų44.425%0.25222%0.22SC..Hα-helixtrans-57.4-47.1176.9-81.9-178.2-126.100113L134 Q135 E142 C143 L145L134-Q138 PolarHBondContact O-N 3.25Å; Q135-Q138 PolarHBondContact O-N 3.47Å; Q138-E142 VanDerWaalsContact O-CA 3.31Å; Q138-E142 WeakPolarHBondContact O-CA 3.47Å; Q138-E142 PolarHBondContact O-N 3.39Å; Q138-C143 PolarHBondContact O-N 3.5Å; Q138-C143 VanDerWaalsContact O-N 3.17Å; Q138-L145 HydrophobicContact CG-CB 4.06Å; Q138-L145 HydrophobicContact CG-CD1 3.55Å; Q138-L145 HydrophobicContact CG-CG 3.51Å
139T94.9Very high94.6Very high108 Ų10839.2 Ų39.266%0.66320%0.196SC*.Hα-helixtrans-69.3-46.5-175.9-55.30000111.3Q135 R136 L137Q135-T139 WeakPolarHBondContact O-CB 3.26Å; Q135-T139 PolarHBondContact O-N 2.89Å; Q135-T139 PolarHBondContact O-OG1 2.95Å; R136-T139 PolarHBondContact O-N 2.95Å; L137-T139 PolarHBondContact O-N 3.09Å
140L95.3Very high94.9Very high47 Ų4738.8 Ų38.825%0.24619%0.193CC..Hα-helixtrans-77.8-33.4-174.3-63.1170.5000112.5V93 E94 V97 K101 R136V93-L140 HydrophobicContact CG1-CD1 4.32Å; E94-L140 HydrophobicContact CG-CD1 3.75Å; E94-L140 HydrophobicContact CG-CD2 4.47Å; V97-L140 HydrophobicContact CB-CB 4.35Å; V97-L140 HydrophobicContact CB-CD1 4.45Å; V97-L140 HydrophobicContact CG1-CB 3.74Å; V97-L140 HydrophobicContact CG2-CB 4.12Å; V97-L140 HydrophobicContact CG2-CD1 4.11Å; K101-L140 WeakPolarHBondContact CE-O 3.38Å; K101-L140 PolarHBondContact NZ-O 2.84Å; R136-L140 HydrophobicContact CB-CD1 4.3Å; R136-L140 VanDerWaalsContact O-CB 3.24Å; R136-L140 WeakPolarHBondContact O-CB 3.38Å; R136-L140 WeakPolarHBondContact O-CG 3.42Å; R136-L140 PolarHBondContact O-N 3.05Å
141L93.4Very high94.9Very high14 Ų1438.7 Ų38.77%0.07319%0.192CC..Hα-helixtrans-87.5-7.6175.9-67.1168000113.5V97 I100 K101 I113 F115 L137 C143V97-L141 HydrophobicContact CG1-CD2 3.7Å; V97-L141 HydrophobicContact CG1-CG 3.91Å; V97-L141 HydrophobicContact CG2-CG 4.23Å; I100-L141 HydrophobicContact CB-CD2 4.08Å; I100-L141 HydrophobicContact CD1-CD1 4.35Å; I100-L141 HydrophobicContact CG2-CD1 4.22Å; I100-L141 HydrophobicContact CG2-CD2 3.69Å; K101-L141 HydrophobicContact CG-CD2 3.91Å; I113-L141 HydrophobicContact CD1-CD1 4.29Å; F115-L141 HydrophobicContact CZ-CD1 4.38Å; L137-L141 HydrophobicContact CB-CD1 4.44Å; L137-L141 HydrophobicContact CD2-CD1 4.14Å; L137-L141 WeakPolarHBondContact O-CB 3.41Å; L137-L141 WeakPolarHBondContact O-CG 3.19Å; L137-L141 PolarHBondContact O-N 3.4Å; L141-C143 HydrophobicContact CB-CB 4.09Å; L141-C143 PolarHBondContact O-N 2.93Å
142E93Very high94.8Very high159 Ų15937.2 Ų37.274%0.74319%0.185SC*.THydrogen-bonded Turntrans51.245.1-172.7-60.1175.6-144.900111.7Q138Q138-E142 VanDerWaalsContact O-CA 3.31Å; Q138-E142 WeakPolarHBondContact O-CA 3.47Å; Q138-E142 PolarHBondContact O-N 3.39Å
143C93.8Very high94.4Very high6 Ų635.2 Ų35.24%0.04118%0.175CC..EExtended strand (participates in β ladder)trans-115.2159.7-173.677.60000113.1V10 Q138 L141V10-C143 HydrophobicContact CB-CB 3.86Å; V10-C143 HydrophobicContact CG1-CB 4.01Å; V10-C143 CarbonylContact O-C 3.53Å; V10-C143 WeakPolarHBondContact O-CA 3.45Å; V10-C143 VanDerWaalsContact O-CB 3.28Å; V10-C143 WeakPolarHBondContact O-CB 3.46Å; Q138-C143 PolarHBondContact O-N 3.5Å; Q138-C143 VanDerWaalsContact O-N 3.17Å; L141-C143 HydrophobicContact CB-CB 4.09Å; L141-C143 PolarHBondContact O-N 2.93Å
144H95.6Very high94Very high96 Ų9639.6 Ų39.644%0.44420%0.195SC..EExtended strand (participates in β ladder)trans-104.7117.2174.1-61.1-66.5000110.1V10 Y11 G12V10-H144 PolarHBondContact O-N 3.13Å; Y11-H144 CarbonylContact C-O 3.58Å; Y11-H144 WeakPolarHBondContact CA-O 3.16Å; Y11-H144 HydrophobicContact CD1-CB 3.95Å; Y11-H144 HydrophobicContact CE1-CB 4.22Å; G12-H144 PolarHBondContact N-O 3.2Å
145L96.8Very high93.5Very high6 Ų642.3 Ų42.33%0.03121%0.208CC..EExtended strand (participates in β ladder)trans-99.2141.5179.1-61.1-177.3000111.6G12 V14 F115 L134 Q138 L178G12-L145 WeakPolarHBondContact O-CA 3.3Å; V14-L145 HydrophobicContact CG2-CB 4.07Å; V14-L145 HydrophobicContact CG2-CD1 3.78Å; V14-L145 HydrophobicContact CG2-CD2 4.24Å; V14-L145 HydrophobicContact CG2-CG 4.24Å; F115-L145 HydrophobicContact CD2-CD2 4.32Å; F115-L145 HydrophobicContact CE2-CD2 3.84Å; L134-L145 HydrophobicContact CB-CD1 4.44Å; L134-L145 HydrophobicContact CD2-CD1 4.17Å; Q138-L145 HydrophobicContact CG-CB 4.06Å; Q138-L145 HydrophobicContact CG-CD1 3.55Å; Q138-L145 HydrophobicContact CG-CG 3.51Å; L145-L178 HydrophobicContact CB-CD1 4.24Å
146V97Very high92.8Very high44 Ų4437.8 Ų37.827%0.26719%0.187SC..EExtended strand (participates in β ladder)trans-122.2132.3167.8176.30000107.4G12 Q13 V14 P179 I181G12-V146 PolarHBondContact O-N 3.26Å; Q13-V146 CarbonylContact C-O 3.26Å; Q13-V146 VanDerWaalsContact CA-O 3.3Å; Q13-V146 WeakPolarHBondContact CA-O 3.42Å; V14-V146 PolarHBondContact N-O 2.92Å; V146-P179 CarbonylContact C-O 3.6Å; V146-P179 WeakPolarHBondContact CG1-O 3.37Å; V146-P179 HydrophobicContact CG2-CB 4.34Å; V146-I181 HydrophobicContact CG1-CD1 3.94Å; V146-I181 HydrophobicContact CG1-CG1 3.97Å
147C96.1Very high92.1Very high0 Ų037.1 Ų37.10%019%0.191CC..EExtended strand (participates in β ladder)trans-84.8126.4175.7-1680000110.1V14 I16 L178 P179 H180 I181V14-C147 CarbonylContact O-C 3.59Å; V14-C147 WeakPolarHBondContact O-CA 3.33Å; I16-C147 WeakPolarHBondContact CD1-SG 3.09Å; I16-C147 VanDerWaalsContact CG1-SG 3.56Å; C147-L178 HydrophobicContact CB-CB 4.12Å; C147-L178 HydrophobicContact CB-CD1 4.22Å; C147-P179 PolarHBondContact N-O 2.83Å; C147-H180 WeakPolarHBondContact CB-NE2 3.37Å; C147-H180 CarbonylContact O-C 3.6Å; C147-H180 VanDerWaalsContact O-CA 3.29Å; C147-H180 WeakPolarHBondContact O-CA 3.48Å; C147-H180 PolarHBondContact SG-CE1 3.46Å; C147-I181 PolarHBondContact O-N 3.04Å
148V96.5Very high91.4Very high2 Ų239.3 Ų39.31%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-103.9109170.5-1770000107.7Q13 V14 V15 I16 Y26 V150 I181 V183Q13-V148 HydrophobicContact CB-CG2 4.11Å; Q13-V148 HydrophobicContact CG-CG2 4.21Å; V14-V148 PolarHBondContact O-N 3.37Å; V15-V148 WeakPolarHBondContact CA-O 3.38Å; V15-V148 HydrophobicContact CG2-CB 4.4Å; I16-V148 PolarHBondContact N-O 2.74Å; Y26-V148 HydrophobicContact CE1-CB 4.31Å; Y26-V148 HydrophobicContact CE1-CG1 3.96Å; Y26-V148 HydrophobicContact CE1-CG2 4.39Å; Y26-V148 HydrophobicContact CE2-CG1 4.3Å; V148-V150 HydrophobicContact CG1-CG2 3.99Å; V148-I181 CarbonylContact C-O 3.46Å; V148-I181 WeakPolarHBondContact CA-O 3.44Å; V148-V183 HydrophobicContact CG1-CG2 3.77Å
149H94.7Very high90.8Very high8 Ų837.1 Ų37.14%0.03719%0.193CC..EExtended strand (participates in β ladder)trans-94.3105.1178.7-173.9-159.9000110I16 T169 I181 N182 V183I16-H149 HydrophobicContact CD1-CB 4.3Å; I16-H149 HydrophobicContact CG1-CB 4.01Å; H149-T169 PolarHBondContact CE1-OG1 3.38Å; H149-T169 PolarHBondContact ND1-OG1 3.07Å; H149-I181 PolarHBondContact N-O 3.42Å; H149-N182 WeakPolarHBondContact O-CA 3.44Å; H149-V183 PolarHBondContact O-N 3.33Å
150V94.3Very high90.3Very high1 Ų134 Ų341%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-93.4117.9-176.2-172.10000110V15 I16 G17 S21 K23 Y26 V148V15-V150 HydrophobicContact CG1-CG2 3.74Å; I16-V150 PolarHBondContact O-N 2.91Å; G17-V150 WeakPolarHBondContact CA-O 3.31Å; S21-V150 WeakPolarHBondContact CB-O 3.48Å; S21-V150 VanDerWaalsContact O-CG1 3.27Å; S21-V150 WeakPolarHBondContact O-CG1 3.47Å; S21-V150 PolarHBondContact OG-O 3.15Å; K23-V150 HydrophobicContact CG-CB 4.3Å; Y26-V150 HydrophobicContact CG-CG2 4.37Å; V148-V150 HydrophobicContact CG1-CG2 3.99Å
151V91.9Very high89.9Confident2 Ų239 Ų391%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-122.3136.3-178.5178.30000109.6S153 V165 V183 L184 S185 F245V151-S153 PolarHBondContact O-N 2.83Å; V151-V165 HydrophobicContact CB-CG1 4.49Å; V151-V165 HydrophobicContact CG1-CB 4.47Å; V151-V165 HydrophobicContact CG1-CG1 3.56Å; V151-V165 HydrophobicContact CG1-CG2 4.03Å; V151-V165 HydrophobicContact CG2-CG1 4.31Å; V151-V183 PolarHBondContact N-O 3.28Å; V151-L184 HydrophobicContact CB-CD2 4.42Å; V151-L184 HydrophobicContact CG1-CD2 4.36Å; V151-L184 CarbonylContact O-C 3.5Å; V151-L184 WeakPolarHBondContact O-CA 3.46Å; V151-S185 PolarHBondContact O-N 3.15Å; V151-S185 PolarHBondContact O-OG 3.36Å; V151-F245 HydrophobicContact CB-CE1 4.42Å; V151-F245 HydrophobicContact CG2-CE1 4.14Å
152D91.1Very high89.6Confident12 Ų1238.4 Ų38.46%0.06419%0.187CC..EExtended strand (participates in β ladder)trans-67124.8175.4-164.7-34.9000111.4Q154 H155 K186D152-Q154 PolarHBondContact O-N 2.9Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.26Å; D152-Q154 WeakPolarHBondContact OD1-CG 3.45Å; D152-Q154 PolarHBondContact OD1-N 2.84Å; D152-H155 WeakPolarHBondContact O-CB 3.22Å; D152-H155 PolarHBondContact O-CD2 3.09Å; D152-H155 VanDerWaalsContact O-CD2 3.23Å; D152-H155 PolarHBondContact O-N 3.21Å; D152-H155 VanDerWaalsContact O-N 3.13Å; D152-K186 WeakPolarHBondContact OD2-CD 3.41Å; D152-K186 WeakPolarHBondContact OD2-CE 3.47Å; D152-K186 IonicContact OD2-NZ 2.7Å; D152-K186 PolarHBondContact OD2-NZ 2.97Å
153S87.2Confident89.3Confident0 Ų031.1 Ų31.10%015%0.154CC..G310 helixtrans-60.5-22.2177.158.60000114V151 H155 C156 S185 K186V151-S153 PolarHBondContact O-N 2.83Å; S153-H155 PolarHBondContact O-N 2.69Å; S153-H155 VanDerWaalsContact O-N 3.11Å; S153-C156 WeakPolarHBondContact O-CB 3.29Å; S153-C156 PolarHBondContact O-N 3.44Å; S153-S185 WeakPolarHBondContact CB-O 3.19Å; S153-S185 PolarHBondContact N-O 2.85Å; S153-S185 PolarHBondContact OG-O 3.17Å; S153-K186 PolarHBondContact OG-O 2.89Å
154Q86.5Confident89.1Confident99 Ų9934 Ų3446%0.46317%0.174SC..G310 helixtrans-62.2-20175.3-66-172.4-3300113D152 C156 V157D152-Q154 PolarHBondContact O-N 2.9Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.26Å; D152-Q154 WeakPolarHBondContact OD1-CG 3.45Å; D152-Q154 PolarHBondContact OD1-N 2.84Å; Q154-C156 PolarHBondContact O-N 3.04Å; Q154-V157 PolarHBondContact O-N 3.2Å
155H84.4Confident88.8Confident60 Ų6030.3 Ų30.328%0.27816%0.158SC..G310 helixtrans-69-20.8173.5-63-50.5000113.3D152 S153 V157 F162 V165D152-H155 WeakPolarHBondContact O-CB 3.22Å; D152-H155 PolarHBondContact O-CD2 3.09Å; D152-H155 VanDerWaalsContact O-CD2 3.23Å; D152-H155 PolarHBondContact O-N 3.21Å; D152-H155 VanDerWaalsContact O-N 3.13Å; S153-H155 PolarHBondContact O-N 2.69Å; S153-H155 VanDerWaalsContact O-N 3.11Å; H155-V157 PolarHBondContact O-N 3.37Å; H155-F162 PolarHBondContact O-N 3.04Å; H155-V165 HydrophobicContact CB-CG2 3.8Å
156C80.5Confident88.5Confident2 Ų230 Ų301%0.01416%0.157CC..G310 helixtrans-70.7-18.4179-62.50000113.7S153 Q154 F162 M190 Y204S153-C156 WeakPolarHBondContact O-CB 3.29Å; S153-C156 PolarHBondContact O-N 3.44Å; Q154-C156 PolarHBondContact O-N 3.04Å; C156-F162 HydrophobicContact CB-CD2 4.29Å; C156-M190 HydrophobicContact CB-SD 4.09Å; C156-Y204 HydrophobicContact CB-CD1 3.87Å; C156-Y204 HydrophobicContact CB-CE1 3.6Å; C156-Y204 PolarHBondContact O-OH 3.1Å; C156-Y204 VanDerWaalsContact O-OH 3.04Å
157V79.8Confident88.2Confident60 Ų6030.1 Ų30.136%0.36416%0.155SC..G310 helixtrans-69.8-32.4-177.9-179.10000112Q154 H155 F196 L197Q154-V157 PolarHBondContact O-N 3.2Å; H155-V157 PolarHBondContact O-N 3.37Å; V157-F196 HydrophobicContact CG1-CB 4.39Å; V157-L197 HydrophobicContact CG2-CD2 4.4Å
158D82.3Confident87.9Confident45 Ų4532.9 Ų32.924%0.24117%0.172CC..SBendtrans-107119.4178.1175.675.1000110.7C160 R161 F162D158-C160 VanDerWaalsContact C-N 3.29Å; D158-C160 PolarHBondContact O-N 2.91Å; D158-C160 WeakPolarHBondContact OD2-CB 3.12Å; D158-C160 PolarHBondContact OD2-N 2.86Å; D158-R161 HydrophobicContact CB-CB 4.04Å; D158-R161 HydrophobicContact CB-CG 4.08Å; D158-R161 PolarHBondContact O-N 2.92Å; D158-R161 WeakPolarHBondContact OD2-CB 3.4Å; D158-R161 VanDerWaalsContact OD2-CG 3.27Å; D158-R161 WeakPolarHBondContact OD2-CG 3.33Å; D158-R161 PolarHBondContact OD2-N 3.22Å; D158-F162 PolarHBondContact O-N 3.49Å
159P82.2Confident87.7Confident8 Ų832.8 Ų32.85%0.05217%0.172CC..Hα-helixtrans-51.3-41.2178.8-34.739.8000115.1F162 L163 L213 H216 M217P159-F162 PolarHBondContact O-N 2.95Å; P159-L163 PolarHBondContact O-N 2.64Å; P159-L213 HydrophobicContact CB-CD1 4.11Å; P159-L213 HydrophobicContact CB-CG 3.97Å; P159-H216 HydrophobicContact CG-CB 4.47Å; P159-M217 HydrophobicContact CB-CG 3.9Å
160C84.5Confident87.5Confident43 Ų4332.7 Ų32.729%0.29117%0.172SC..Hα-helixtrans-70.6-41.3-178.5-65.40000111.9D158 S164D158-C160 VanDerWaalsContact C-N 3.29Å; D158-C160 PolarHBondContact O-N 2.91Å; D158-C160 WeakPolarHBondContact OD2-CB 3.12Å; D158-C160 PolarHBondContact OD2-N 2.86Å; C160-S164 PolarHBondContact O-N 2.77Å; C160-S164 VanDerWaalsContact O-N 3.1Å; C160-S164 PolarHBondContact O-OG 3.18Å
161R86.7Confident87.3Confident153 Ų15337.4 Ų37.458%0.57719%0.19SC*.Hα-helixtrans-64.8-42.7173.7-71.9177.3-169.31660.4110.9D158 L163 S164 V165D158-R161 HydrophobicContact CB-CB 4.04Å; D158-R161 HydrophobicContact CB-CG 4.08Å; D158-R161 PolarHBondContact O-N 2.92Å; D158-R161 WeakPolarHBondContact OD2-CB 3.4Å; D158-R161 VanDerWaalsContact OD2-CG 3.27Å; D158-R161 WeakPolarHBondContact OD2-CG 3.33Å; D158-R161 PolarHBondContact OD2-N 3.22Å; R161-L163 PolarHBondContact O-N 3.28Å; R161-S164 WeakPolarHBondContact O-CB 3.34Å; R161-S164 PolarHBondContact O-N 2.84Å; R161-S164 VanDerWaalsContact O-N 3.15Å; R161-V165 WeakPolarHBondContact O-CG2 3.27Å; R161-V165 PolarHBondContact O-N 2.59Å
162F86.8Confident87.2Confident0 Ų037.4 Ų37.40%019%0.19CC..Hα-helixtrans-62.7-43.6177.8-171.2-119.6000111.7H155 C156 D158 P159 S164 V165 L166 Y204 L208 L213 F245H155-F162 PolarHBondContact O-N 3.04Å; C156-F162 HydrophobicContact CB-CD2 4.29Å; D158-F162 PolarHBondContact O-N 3.49Å; P159-F162 PolarHBondContact O-N 2.95Å; F162-S164 VanDerWaalsContact C-N 3.28Å; F162-S164 PolarHBondContact O-N 3.38Å; F162-V165 WeakPolarHBondContact O-CB 3.23Å; F162-V165 PolarHBondContact O-N 3.26Å; F162-V165 VanDerWaalsContact O-N 3.15Å; F162-L166 HydrophobicContact CD1-CD1 3.93Å; F162-L166 HydrophobicContact CD1-CG 4.37Å; F162-L166 HydrophobicContact CE1-CD1 3.75Å; F162-L166 HydrophobicContact CE1-CD2 4.3Å; F162-L166 HydrophobicContact CE1-CG 4.14Å; F162-L166 HydrophobicContact CE2-CD2 4.47Å; F162-L166 HydrophobicContact CZ-CD1 4.27Å; F162-L166 HydrophobicContact CZ-CD2 4Å; F162-L166 HydrophobicContact CZ-CG 4.19Å; F162-L166 WeakPolarHBondContact O-CG 3.49Å; F162-L166 PolarHBondContact O-N 2.61Å; F162-Y204 HydrophobicContact CD1-CD1 4.42Å; F162-Y204 HydrophobicContact CD1-CE1 4.3Å; F162-Y204 AromaticContact CE1-CD1 3.88Å; F162-Y204 HydrophobicContact CE1-CD1 3.88Å; F162-Y204 HydrophobicContact CE1-CE1 4.18Å; F162-Y204 HydrophobicContact CE2-CD1 4.02Å; F162-Y204 AromaticContact CZ-CD1 3.67Å; F162-Y204 HydrophobicContact CZ-CD1 3.67Å; F162-Y204 HydrophobicContact CZ-CE1 4.34Å; F162-L208 HydrophobicContact CE1-CD2 3.75Å; F162-L208 HydrophobicContact CZ-CD2 3.76Å; F162-L213 HydrophobicContact CB-CD1 4.49Å; F162-L213 HydrophobicContact CD1-CD1 3.7Å; F162-L213 HydrophobicContact CD1-CD2 4.1Å; F162-F245 HydrophobicContact CE2-CE2 4.16Å; F162-F245 HydrophobicContact CZ-CE2 4.25Å
163L87.7Confident87.2Confident7 Ų738.1 Ų38.14%0.03719%0.193CC..Hα-helixtrans-58.7-39.9173.2-177.959.4000112.4P159 R161 L166 L167 L213 M217 L233P159-L163 PolarHBondContact O-N 2.64Å; R161-L163 PolarHBondContact O-N 3.28Å; L163-L166 WeakPolarHBondContact O-CB 3.28Å; L163-L166 PolarHBondContact O-N 3.2Å; L163-L167 HydrophobicContact CG-CD1 4.3Å; L163-L167 WeakPolarHBondContact O-CG 3.16Å; L163-L167 PolarHBondContact O-N 3.15Å; L163-L213 HydrophobicContact CB-CD2 4.2Å; L163-M217 HydrophobicContact CD2-CE 3.99Å; L163-L233 HydrophobicContact CD2-CB 4.37Å
164S88.9Confident87.4Confident67 Ų6742.2 Ų42.247%0.46922%0.215SC..Hα-helixtrans-65.2-39.7176.7-55.10000112.2C160 R161 F162 T168C160-S164 PolarHBondContact O-N 2.77Å; C160-S164 VanDerWaalsContact O-N 3.1Å; C160-S164 PolarHBondContact O-OG 3.18Å; R161-S164 WeakPolarHBondContact O-CB 3.34Å; R161-S164 PolarHBondContact O-N 2.84Å; R161-S164 VanDerWaalsContact O-N 3.15Å; F162-S164 VanDerWaalsContact C-N 3.28Å; F162-S164 PolarHBondContact O-N 3.38Å; S164-T168 WeakPolarHBondContact O-CB 3.29Å; S164-T168 PolarHBondContact O-N 2.98Å; S164-T168 PolarHBondContact O-OG1 3.06Å
165V89.7Confident87.6Confident18 Ų1841.2 Ų41.211%0.10921%0.207CC..Hα-helixtrans-61.6-44.8173.3158.80000111.1V151 H155 R161 F162 T168 T169 F245V151-V165 HydrophobicContact CB-CG1 4.49Å; V151-V165 HydrophobicContact CG1-CB 4.47Å; V151-V165 HydrophobicContact CG1-CG1 3.56Å; V151-V165 HydrophobicContact CG1-CG2 4.03Å; V151-V165 HydrophobicContact CG2-CG1 4.31Å; H155-V165 HydrophobicContact CB-CG2 3.8Å; R161-V165 WeakPolarHBondContact O-CG2 3.27Å; R161-V165 PolarHBondContact O-N 2.59Å; F162-V165 WeakPolarHBondContact O-CB 3.23Å; F162-V165 PolarHBondContact O-N 3.26Å; F162-V165 VanDerWaalsContact O-N 3.15Å; V165-T168 PolarHBondContact O-N 2.94Å; V165-T169 VanDerWaalsContact O-CB 3.26Å; V165-T169 WeakPolarHBondContact O-CB 3.25Å; V165-T169 PolarHBondContact O-N 3.24Å; V165-T169 PolarHBondContact O-OG1 2.84Å; V165-F245 HydrophobicContact CG1-CZ 4.04Å
166L90.2Very high87.9Confident0 Ų038.7 Ų38.70%020%0.195CC..Hα-helixtrans-60.4-47.4178.6-71.6173.4000111.8F162 L163 T169 L170 L208 L210 V237 V243 F245F162-L166 HydrophobicContact CD1-CD1 3.93Å; F162-L166 HydrophobicContact CD1-CG 4.37Å; F162-L166 HydrophobicContact CE1-CD1 3.75Å; F162-L166 HydrophobicContact CE1-CD2 4.3Å; F162-L166 HydrophobicContact CE1-CG 4.14Å; F162-L166 HydrophobicContact CE2-CD2 4.47Å; F162-L166 HydrophobicContact CZ-CD1 4.27Å; F162-L166 HydrophobicContact CZ-CD2 4Å; F162-L166 HydrophobicContact CZ-CG 4.19Å; F162-L166 WeakPolarHBondContact O-CG 3.49Å; F162-L166 PolarHBondContact O-N 2.61Å; L163-L166 WeakPolarHBondContact O-CB 3.28Å; L163-L166 PolarHBondContact O-N 3.2Å; L166-T169 PolarHBondContact O-N 2.73Å; L166-L170 WeakPolarHBondContact O-CB 3.35Å; L166-L170 PolarHBondContact O-N 3.31Å; L166-L208 HydrophobicContact CD1-CD1 4.48Å; L166-L208 HydrophobicContact CD2-CD1 3.51Å; L166-L208 HydrophobicContact CD2-CD2 4.18Å; L166-L210 HydrophobicContact CD1-CD1 3.82Å; L166-L210 HydrophobicContact CD1-CD2 3.34Å; L166-L210 HydrophobicContact CD1-CG 4.25Å; L166-V237 HydrophobicContact CB-CG1 4.07Å; L166-V237 HydrophobicContact CB-CG2 4.14Å; L166-V237 HydrophobicContact CD1-CG1 4.41Å; L166-V237 HydrophobicContact CD2-CG1 4.43Å; L166-V243 HydrophobicContact CD2-CB 4.44Å; L166-V243 HydrophobicContact CD2-CG1 3.68Å; L166-F245 HydrophobicContact CD2-CE2 3.66Å; L166-F245 HydrophobicContact CD2-CZ 4.26Å
167L90.9Very high88.3Confident46 Ų4642 Ų4224%0.24122%0.223CC..Hα-helixtrans-63.2-44.2177.6-69.5166.3000111.8L163 T169 L170 Y171 L233 V237L163-L167 HydrophobicContact CG-CD1 4.3Å; L163-L167 WeakPolarHBondContact O-CG 3.16Å; L163-L167 PolarHBondContact O-N 3.15Å; L167-T169 VanDerWaalsContact C-N 3.32Å; L167-T169 PolarHBondContact O-N 3.37Å; L167-L170 PolarHBondContact O-N 2.78Å; L167-Y171 VanDerWaalsContact O-CB 3.26Å; L167-Y171 WeakPolarHBondContact O-CB 3.47Å; L167-Y171 PolarHBondContact O-N 3.26Å; L167-L233 HydrophobicContact CD1-CB 4.13Å; L167-L233 HydrophobicContact CD1-CD1 3.99Å; L167-L233 HydrophobicContact CD1-CD2 4.12Å; L167-L233 HydrophobicContact CD1-CG 4.31Å; L167-L233 HydrophobicContact CD2-CB 4.32Å; L167-L233 HydrophobicContact CD2-CD2 4.15Å; L167-V237 HydrophobicContact CD2-CG2 3.69Å; L167-V237 HydrophobicContact CG-CG2 4.17Å
168T89.9Confident88.9Confident57 Ų5740.4 Ų40.435%0.3521%0.212SC..Hα-helixtrans-65.5-39179.1-54.80000111.1S164 V165 S172S164-T168 WeakPolarHBondContact O-CB 3.29Å; S164-T168 PolarHBondContact O-N 2.98Å; S164-T168 PolarHBondContact O-OG1 3.06Å; V165-T168 PolarHBondContact O-N 2.94Å; T168-S172 WeakPolarHBondContact O-CB 3.29Å; T168-S172 PolarHBondContact O-N 3.27Å; T168-S172 PolarHBondContact O-OG 3.3Å
169T90.7Very high89.5Confident0 Ų042.2 Ų42.20%023%0.227CC..Hα-helixtrans-63.6-53.4175.4-610000111.1H149 V165 L166 L167 Y171 S172 M173 N182 V243 F245H149-T169 PolarHBondContact CE1-OG1 3.38Å; H149-T169 PolarHBondContact ND1-OG1 3.07Å; V165-T169 VanDerWaalsContact O-CB 3.26Å; V165-T169 WeakPolarHBondContact O-CB 3.25Å; V165-T169 PolarHBondContact O-N 3.24Å; V165-T169 PolarHBondContact O-OG1 2.84Å; L166-T169 PolarHBondContact O-N 2.73Å; L167-T169 VanDerWaalsContact C-N 3.32Å; L167-T169 PolarHBondContact O-N 3.37Å; T169-Y171 VanDerWaalsContact C-N 3.29Å; T169-Y171 PolarHBondContact O-N 3.42Å; T169-S172 PolarHBondContact O-N 2.81Å; T169-S172 VanDerWaalsContact O-N 3.14Å; T169-M173 HydrophobicContact CG2-SD 4.09Å; T169-M173 VanDerWaalsContact O-CG 3.29Å; T169-M173 WeakPolarHBondContact O-CG 2.91Å; T169-M173 PolarHBondContact O-N 3.18Å; T169-N182 HydrophobicContact CG2-CB 4.24Å; T169-N182 VanDerWaalsContact CG2-CG 3.45Å; T169-N182 VanDerWaalsContact CG2-OD1 3.22Å; T169-N182 WeakPolarHBondContact CG2-OD1 3.5Å; T169-V243 HydrophobicContact CG2-CG1 3.9Å; T169-V243 HydrophobicContact CG2-CG2 4.33Å; T169-F245 HydrophobicContact CG2-CZ 4.39Å
170L91.4Very high90Very high7 Ų743.3 Ų43.34%0.03723%0.231CC..Hα-helixtrans-56.1-46177.1176.860.1000111.2L166 L167 S172 M173 L174 V236 V237 F240 L242 V243L166-L170 WeakPolarHBondContact O-CB 3.35Å; L166-L170 PolarHBondContact O-N 3.31Å; L167-L170 PolarHBondContact O-N 2.78Å; L170-S172 VanDerWaalsContact C-N 3.33Å; L170-S172 PolarHBondContact O-N 3.48Å; L170-M173 WeakPolarHBondContact O-CB 3.44Å; L170-M173 PolarHBondContact O-N 3.27Å; L170-L174 HydrophobicContact CD1-CD1 4.21Å; L170-L174 HydrophobicContact CD1-CG 4.27Å; L170-L174 HydrophobicContact CG-CD1 4.19Å; L170-L174 WeakPolarHBondContact O-CG 3.1Å; L170-L174 PolarHBondContact O-N 3.33Å; L170-V236 HydrophobicContact CD2-CG1 4.35Å; L170-V237 HydrophobicContact CD2-CG2 4.31Å; L170-F240 HydrophobicContact CD1-CB 3.79Å; L170-F240 HydrophobicContact CD1-CD1 4.07Å; L170-F240 HydrophobicContact CD1-CD2 4.33Å; L170-F240 HydrophobicContact CD1-CG 3.81Å; L170-F240 HydrophobicContact CD2-CB 4.19Å; L170-F240 HydrophobicContact CD2-CD2 3.82Å; L170-F240 HydrophobicContact CD2-CE2 4.45Å; L170-F240 HydrophobicContact CD2-CG 4.09Å; L170-L242 HydrophobicContact CD1-CB 4.44Å; L170-L242 HydrophobicContact CD1-CD1 4.22Å; L170-V243 HydrophobicContact CB-CG2 3.91Å; L170-V243 HydrophobicContact CD1-CG2 4.36Å
171Y90.8Very high90.5Very high99 Ų9944.5 Ų44.539%0.38823%0.233SC..Hα-helixtrans-60-44.4178-172.8-90.6000111.9T125 L167 T169 M173 L174 R175T125-Y171 HydrophobicContact CG2-CD1 3.83Å; T125-Y171 HydrophobicContact CG2-CE1 4.11Å; T125-Y171 WeakPolarHBondContact O-CE1 3.36Å; T125-Y171 PolarHBondContact O-OH 2.95Å; L167-Y171 VanDerWaalsContact O-CB 3.26Å; L167-Y171 WeakPolarHBondContact O-CB 3.47Å; L167-Y171 PolarHBondContact O-N 3.26Å; T169-Y171 VanDerWaalsContact C-N 3.29Å; T169-Y171 PolarHBondContact O-N 3.42Å; Y171-M173 VanDerWaalsContact C-N 3.33Å; Y171-M173 PolarHBondContact O-N 3.11Å; Y171-L174 PolarHBondContact O-N 2.98Å; Y171-R175 HydrophobicContact CD1-CG 3.78Å; Y171-R175 HydrophobicContact CE1-CB 4.48Å; Y171-R175 HydrophobicContact CE1-CG 3.3Å; Y171-R175 HydrophobicContact CE2-CG 4.28Å; Y171-R175 HydrophobicContact CG-CG 4.43Å; Y171-R175 WeakPolarHBondContact O-CB 3.18Å; Y171-R175 VanDerWaalsContact O-CG 3.31Å; Y171-R175 WeakPolarHBondContact O-CG 3.14Å; Y171-R175 PolarHBondContact O-N 3.18Å; Y171-R175 WeakPolarHBondContact OH-CD 3.34Å; Y171-R175 PolarHBondContact OH-NE 2.88Å
172S89.7Confident90.8Very high3 Ų337.4 Ų37.42%0.02121%0.207CC..Hα-helixtrans-63.7-39.6178.5-56.40000111.7T168 T169 L170 R175 L176T168-S172 WeakPolarHBondContact O-CB 3.29Å; T168-S172 PolarHBondContact O-N 3.27Å; T168-S172 PolarHBondContact O-OG 3.3Å; T169-S172 PolarHBondContact O-N 2.81Å; T169-S172 VanDerWaalsContact O-N 3.14Å; L170-S172 VanDerWaalsContact C-N 3.33Å; L170-S172 PolarHBondContact O-N 3.48Å; S172-R175 PolarHBondContact O-N 3.41Å; S172-L176 WeakPolarHBondContact O-CB 3.35Å; S172-L176 WeakPolarHBondContact O-CG 3.44Å; S172-L176 PolarHBondContact O-N 3.39Å
173M91.1Very high91.1Very high26 Ų2637.7 Ų37.713%0.12821%0.209CC..Hα-helixtrans-59.6-46.8174.3-68175.26800111.9T169 L170 Y171 A177 H180 L242 V243T169-M173 HydrophobicContact CG2-SD 4.09Å; T169-M173 VanDerWaalsContact O-CG 3.29Å; T169-M173 WeakPolarHBondContact O-CG 2.91Å; T169-M173 PolarHBondContact O-N 3.18Å; L170-M173 WeakPolarHBondContact O-CB 3.44Å; L170-M173 PolarHBondContact O-N 3.27Å; Y171-M173 VanDerWaalsContact C-N 3.33Å; Y171-M173 PolarHBondContact O-N 3.11Å; M173-A177 PolarHBondContact O-N 3.49Å; M173-A177 VanDerWaalsContact O-N 3.13Å; M173-H180 HydrophobicContact CE-CB 4.05Å; M173-H180 HydrophobicContact CG-CB 3.83Å; M173-H180 HydrophobicContact SD-CB 4.36Å; M173-L242 HydrophobicContact CE-CB 3.66Å; M173-L242 HydrophobicContact CE-CD1 4.5Å; M173-L242 WeakPolarHBondContact CE-O 3.46Å; M173-L242 HydrophobicContact SD-CB 4.44Å; M173-V243 HydrophobicContact SD-CG2 4.12Å
174L91Very high91.3Very high87 Ų8737.3 Ų37.346%0.45521%0.207SC..Hα-helixtrans-68.6-36.4-179.9-65.8174.5000112.4L170 Y171 F240 L242L170-L174 HydrophobicContact CD1-CD1 4.21Å; L170-L174 HydrophobicContact CD1-CG 4.27Å; L170-L174 HydrophobicContact CG-CD1 4.19Å; L170-L174 WeakPolarHBondContact O-CG 3.1Å; L170-L174 PolarHBondContact O-N 3.33Å; Y171-L174 PolarHBondContact O-N 2.98Å; L174-F240 HydrophobicContact CD1-CE1 3.9Å; L174-F240 HydrophobicContact CD1-CZ 3.87Å; L174-F240 HydrophobicContact CD2-CD1 4.2Å; L174-F240 HydrophobicContact CD2-CE1 3.69Å; L174-F240 HydrophobicContact CD2-CZ 4.43Å; L174-F240 HydrophobicContact CG-CE1 4.4Å; L174-L242 HydrophobicContact CD2-CD1 4.4Å
175R89.6Confident91.4Very high77 Ų7734.7 Ų34.729%0.29119%0.188SC..Hα-helixtrans-76.5-47-178.2-73-73.7-79.2165.2-1.5113.3E128 H131 Y171 S172 A177E128-R175 IonicContact OE1-NH1 3.96Å; H131-R175 PolarHBondContact ND1-O 2.91Å; Y171-R175 HydrophobicContact CD1-CG 3.78Å; Y171-R175 HydrophobicContact CE1-CB 4.48Å; Y171-R175 HydrophobicContact CE1-CG 3.3Å; Y171-R175 HydrophobicContact CE2-CG 4.28Å; Y171-R175 HydrophobicContact CG-CG 4.43Å; Y171-R175 WeakPolarHBondContact O-CB 3.18Å; Y171-R175 VanDerWaalsContact O-CG 3.31Å; Y171-R175 WeakPolarHBondContact O-CG 3.14Å; Y171-R175 PolarHBondContact O-N 3.18Å; Y171-R175 WeakPolarHBondContact OH-CD 3.34Å; Y171-R175 PolarHBondContact OH-NE 2.88Å; S172-R175 PolarHBondContact O-N 3.41Å; R175-A177 VanDerWaalsContact C-N 3.28Å
176L90.9Very high91.4Very high7 Ų737 Ų374%0.03720%0.197CC..Hα-helixtrans-73.8-26.5-179.1-63.2-175.9000111.4I16 V130 H131 L134 S172 L178I16-L176 HydrophobicContact CD1-CD1 3.69Å; I16-L176 HydrophobicContact CG2-CD1 4.44Å; V130-L176 HydrophobicContact CB-CD2 4.49Å; V130-L176 HydrophobicContact CG1-CD2 3.94Å; H131-L176 PolarHBondContact ND1-O 3.36Å; L134-L176 HydrophobicContact CD1-CD2 4.16Å; S172-L176 WeakPolarHBondContact O-CB 3.35Å; S172-L176 WeakPolarHBondContact O-CG 3.44Å; S172-L176 PolarHBondContact O-N 3.39Å; L176-L178 HydrophobicContact CB-CG 4.4Å; L176-L178 PolarHBondContact O-N 3.14Å; L176-L178 VanDerWaalsContact O-N 3.16Å
177A89.5Confident91.1Very high72 Ų7237.5 Ų37.560%0.59520%0.199SC*.  trans54.232.1177.800000113.1M173 R175M173-A177 PolarHBondContact O-N 3.49Å; M173-A177 VanDerWaalsContact O-N 3.13Å; R175-A177 VanDerWaalsContact C-N 3.28Å
178L93.5Very high90.8Very high27 Ų2737.7 Ų37.714%0.14120%0.201CC..SBendtrans-97.1166.7172.9-62.2-174.7000110.2V14 L134 L145 C147 L176 H180V14-L178 HydrophobicContact CG2-CD1 4.31Å; L134-L178 HydrophobicContact CD1-CD1 3.98Å; L145-L178 HydrophobicContact CB-CD1 4.24Å; C147-L178 HydrophobicContact CB-CB 4.12Å; C147-L178 HydrophobicContact CB-CD1 4.22Å; L176-L178 HydrophobicContact CB-CG 4.4Å; L176-L178 PolarHBondContact O-N 3.14Å; L176-L178 VanDerWaalsContact O-N 3.16Å; L178-H180 PolarHBondContact O-CD2 3.31Å; L178-H180 VanDerWaalsContact O-CD2 3.23Å; L178-H180 PolarHBondContact O-N 3.19Å
179P94.6Very high90.4Very high83 Ų8337.7 Ų37.754%0.53920%0.198SC..  trans-63129.5157.3-17.631.7000108.8V146 C147V146-P179 CarbonylContact C-O 3.6Å; V146-P179 WeakPolarHBondContact CG1-O 3.37Å; V146-P179 HydrophobicContact CG2-CB 4.34Å; C147-P179 PolarHBondContact N-O 2.83Å
180H92.9Very high89.6Confident30 Ų3037.9 Ų37.914%0.13920%0.199CC..EExtended strand (participates in β ladder)trans-111.8142.6180-82.9-119.1000112C147 M173 L178C147-H180 WeakPolarHBondContact CB-NE2 3.37Å; C147-H180 CarbonylContact O-C 3.6Å; C147-H180 VanDerWaalsContact O-CA 3.29Å; C147-H180 WeakPolarHBondContact O-CA 3.48Å; C147-H180 PolarHBondContact SG-CE1 3.46Å; M173-H180 HydrophobicContact CE-CB 4.05Å; M173-H180 HydrophobicContact CG-CB 3.83Å; M173-H180 HydrophobicContact SD-CB 4.36Å; L178-H180 PolarHBondContact O-CD2 3.31Å; L178-H180 VanDerWaalsContact O-CD2 3.23Å; L178-H180 PolarHBondContact O-N 3.19Å
181I94.1Very high88.6Confident68 Ų6842.4 Ų42.435%0.34922%0.22SC..EExtended strand (participates in β ladder)trans-118.9111.2163-59175000106V146 C147 V148 H149 V183V146-I181 HydrophobicContact CG1-CD1 3.94Å; V146-I181 HydrophobicContact CG1-CG1 3.97Å; C147-I181 PolarHBondContact O-N 3.04Å; V148-I181 CarbonylContact C-O 3.46Å; V148-I181 WeakPolarHBondContact CA-O 3.44Å; H149-I181 PolarHBondContact N-O 3.42Å; I181-V183 HydrophobicContact CG2-CG2 4.09Å
182N93Very high87.5Confident4 Ų444.8 Ų44.82%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-88.7134.2175.5-42.8-61.1000109H149 T169 S244 F245 Q246H149-N182 WeakPolarHBondContact O-CA 3.44Å; T169-N182 HydrophobicContact CG2-CB 4.24Å; T169-N182 VanDerWaalsContact CG2-CG 3.45Å; T169-N182 VanDerWaalsContact CG2-OD1 3.22Å; T169-N182 WeakPolarHBondContact CG2-OD1 3.5Å; N182-S244 WeakPolarHBondContact CB-O 3.41Å; N182-S244 PolarHBondContact ND2-O 3.17Å; N182-S244 VanDerWaalsContact ND2-O 3.1Å; N182-F245 HydrophobicContact CB-CD1 3.49Å; N182-F245 VanDerWaalsContact CB-CD1 3.49Å; N182-F245 HydrophobicContact CB-CE1 3.62Å; N182-F245 HydrophobicContact CB-CG 4.28Å; N182-F245 HydrophobicContact CB-CZ 4.49Å; N182-F245 CarbonylContact O-C 3.52Å; N182-F245 WeakPolarHBondContact O-CA 3.4Å; N182-Q246 PolarHBondContact O-N 3.43Å
183V92.9Very high86.3Confident6 Ų647.8 Ų47.84%0.03625%0.25CS..EExtended strand (participates in β ladder)trans-124.4128.3-172.8174.80000109.1V148 H149 V151 I181 Q246 L248V148-V183 HydrophobicContact CG1-CG2 3.77Å; H149-V183 PolarHBondContact O-N 3.33Å; V151-V183 PolarHBondContact N-O 3.28Å; I181-V183 HydrophobicContact CG2-CG2 4.09Å; V183-Q246 CarbonylContact C-O 3.51Å; V183-Q246 WeakPolarHBondContact CA-O 3.42Å; V183-L248 HydrophobicContact CG1-CB 3.45Å; V183-L248 VanDerWaalsContact CG1-CB 3.45Å; V183-L248 HydrophobicContact CG1-CD2 3.79Å; V183-L248 HydrophobicContact CG1-CG 4.28Å
184L91.4Very high84.8Confident0 Ų052 Ų520%027%0.269CS..EExtended strand (participates in β ladder)trans-87.4107.1164.8-70.6173.6000108.6V151 F187 F245 Q246 L248V151-L184 HydrophobicContact CB-CD2 4.42Å; V151-L184 HydrophobicContact CG1-CD2 4.36Å; V151-L184 CarbonylContact O-C 3.5Å; V151-L184 WeakPolarHBondContact O-CA 3.46Å; L184-F187 HydrophobicContact CB-CD2 4.15Å; L184-F187 HydrophobicContact CD1-CE2 4.46Å; L184-F245 HydrophobicContact CD1-CB 3.9Å; L184-F245 HydrophobicContact CD1-CG 4.24Å; L184-F245 HydrophobicContact CD2-CD1 3.98Å; L184-F245 HydrophobicContact CD2-CE1 4.35Å; L184-F245 HydrophobicContact CD2-CG 4.22Å; L184-F245 HydrophobicContact CG-CB 3.74Å; L184-F245 HydrophobicContact CG-CD1 3.9Å; L184-F245 HydrophobicContact CG-CG 3.86Å; L184-Q246 PolarHBondContact N-O 3.17Å; L184-L248 PolarHBondContact O-N 2.92Å
185S92Very high83.2Confident11 Ų1156.1 Ų56.18%0.07729%0.291CS..EExtended strand (participates in β ladder)trans-83.5167.1177.669.70000112.2S21 V151 S153 F187 L248S21-S185 VanDerWaalsContact O-CB 3.29Å; S21-S185 WeakPolarHBondContact O-CB 3.39Å; S21-S185 PolarHBondContact O-OG 3.29Å; V151-S185 PolarHBondContact O-N 3.15Å; V151-S185 PolarHBondContact O-OG 3.36Å; S153-S185 WeakPolarHBondContact CB-O 3.19Å; S153-S185 PolarHBondContact N-O 2.85Å; S153-S185 PolarHBondContact OG-O 3.17Å; S185-F187 PolarHBondContact O-N 3.15Å; S185-F187 VanDerWaalsContact O-N 3.15Å; S185-L248 CarbonylContact C-O 3.29Å; S185-L248 WeakPolarHBondContact CA-O 3.43Å
186K89.2Confident81.7Confident68 Ų6859.1 Ų59.130%0.29631%0.307SS..SBendtrans54.431.8-179-50.1-179.2-167.9163.90112.1G20 D152 S153 D188 L189 L248G20-K186 WeakPolarHBondContact O-CE 3.47Å; G20-K186 PolarHBondContact O-NZ 3.32Å; D152-K186 WeakPolarHBondContact OD2-CD 3.41Å; D152-K186 WeakPolarHBondContact OD2-CE 3.47Å; D152-K186 IonicContact OD2-NZ 2.7Å; D152-K186 PolarHBondContact OD2-NZ 2.97Å; S153-K186 PolarHBondContact OG-O 2.89Å; K186-D188 WeakPolarHBondContact CA-OD1 3.43Å; K186-D188 PolarHBondContact O-N 3.17Å; K186-D188 VanDerWaalsContact O-N 3.16Å; K186-L189 HydrophobicContact CB-CD1 3.97Å; K186-L189 HydrophobicContact CB-CG 4.22Å; K186-L189 HydrophobicContact CD-CD1 4.14Å; K186-L189 WeakPolarHBondContact O-CB 3.35Å; K186-L189 PolarHBondContact O-N 3.1Å; K186-L248 PolarHBondContact N-O 2.81Å
187F84.2Confident80.1Confident10 Ų1059.8 Ų59.84%0.04431%0.31CS..Hα-helixtrans-61.1-27.7-172.7-163.4-94000112.2L184 S185 L189 M190 E191 I201 P247 L248L184-F187 HydrophobicContact CB-CD2 4.15Å; L184-F187 HydrophobicContact CD1-CE2 4.46Å; S185-F187 PolarHBondContact O-N 3.15Å; S185-F187 VanDerWaalsContact O-N 3.15Å; F187-L189 PolarHBondContact O-N 2.76Å; F187-M190 HydrophobicContact CD2-CE 3.9Å; F187-M190 HydrophobicContact CE1-CE 4.22Å; F187-M190 HydrophobicContact CE2-CE 3.11Å; F187-M190 HydrophobicContact CE2-SD 4.15Å; F187-M190 HydrophobicContact CZ-CE 3.29Å; F187-M190 WeakPolarHBondContact O-CA 3.36Å; F187-M190 VanDerWaalsContact O-CB 3.32Å; F187-M190 WeakPolarHBondContact O-CB 3.37Å; F187-M190 PolarHBondContact O-N 3.15Å; F187-E191 HydrophobicContact CD1-CG 3.83Å; F187-E191 HydrophobicContact CE1-CG 3.69Å; F187-E191 PolarHBondContact O-N 3.07Å; F187-I201 HydrophobicContact CE1-CD1 4.06Å; F187-I201 HydrophobicContact CE1-CG1 4.39Å; F187-I201 HydrophobicContact CE1-CG2 4.23Å; F187-I201 HydrophobicContact CZ-CB 4.29Å; F187-I201 HydrophobicContact CZ-CD1 4.08Å; F187-I201 HydrophobicContact CZ-CG1 3.9Å; F187-I201 HydrophobicContact CZ-CG2 3.55Å; F187-P247 HydrophobicContact CB-CB 4.34Å; F187-P247 HydrophobicContact CD1-CB 3.76Å; F187-P247 HydrophobicContact CD2-CB 3.4Å; F187-P247 VanDerWaalsContact CD2-CB 3.4Å; F187-P247 HydrophobicContact CE1-CB 3.83Å; F187-P247 HydrophobicContact CE2-CB 3.46Å; F187-P247 VanDerWaalsContact CE2-CB 3.46Å; F187-P247 HydrophobicContact CG-CB 3.55Å; F187-P247 HydrophobicContact CZ-CB 3.69Å; F187-L248 PolarHBondContact N-O 3.31Å
188D84.3Confident78.7Confident50 Ų5058.7 Ų58.727%0.26730%0.298SS..Hα-helixtrans-55.9-34.617156.6-65.9000113.4K186 M190 Q192 A249K186-D188 WeakPolarHBondContact CA-OD1 3.43Å; K186-D188 PolarHBondContact O-N 3.17Å; K186-D188 VanDerWaalsContact O-N 3.16Å; D188-M190 VanDerWaalsContact C-N 3.3Å; D188-Q192 VanDerWaalsContact O-CG 3.28Å; D188-Q192 WeakPolarHBondContact O-CG 3.37Å; D188-Q192 PolarHBondContact O-N 2.65Å; D188-A249 HydrophobicContact CB-CB 3.91Å; D188-A249 WeakPolarHBondContact OD1-CB 3.5Å
189L81.9Confident77.2Confident56 Ų5659 Ų5929%0.29330%0.298SS..Hα-helixtrans-73.8-25.1175.2-57.7-176.7000112K186 F187 N193K186-L189 HydrophobicContact CB-CD1 3.97Å; K186-L189 HydrophobicContact CB-CG 4.22Å; K186-L189 HydrophobicContact CD-CD1 4.14Å; K186-L189 WeakPolarHBondContact O-CB 3.35Å; K186-L189 PolarHBondContact O-N 3.1Å; F187-L189 PolarHBondContact O-N 2.76Å; L189-N193 WeakPolarHBondContact O-CB 3.45Å; L189-N193 PolarHBondContact O-ND2 2.92Å
190M74.1Confident75.7Confident4 Ų460 Ų602%0.0230%0.3CS..Hα-helixtrans-80.3-42.8178.5-158.8-172.276.500111C156 F187 D188 Q192 N193 E194 L197 I201C156-M190 HydrophobicContact CB-SD 4.09Å; F187-M190 HydrophobicContact CD2-CE 3.9Å; F187-M190 HydrophobicContact CE1-CE 4.22Å; F187-M190 HydrophobicContact CE2-CE 3.11Å; F187-M190 HydrophobicContact CE2-SD 4.15Å; F187-M190 HydrophobicContact CZ-CE 3.29Å; F187-M190 WeakPolarHBondContact O-CA 3.36Å; F187-M190 VanDerWaalsContact O-CB 3.32Å; F187-M190 WeakPolarHBondContact O-CB 3.37Å; F187-M190 PolarHBondContact O-N 3.15Å; D188-M190 VanDerWaalsContact C-N 3.3Å; M190-Q192 VanDerWaalsContact C-N 3.32Å; M190-Q192 PolarHBondContact O-N 3.02Å; M190-N193 CarbonylContact O-C 3.21Å; M190-N193 WeakPolarHBondContact O-CA 3.36Å; M190-N193 PolarHBondContact O-N 3.27Å; M190-E194 PolarHBondContact O-N 2.88Å; M190-E194 VanDerWaalsContact O-N 3.11Å; M190-L197 HydrophobicContact CE-CD1 3.8Å; M190-L197 HydrophobicContact CE-CD2 4.44Å; M190-L197 HydrophobicContact CG-CD1 3.97Å; M190-L197 HydrophobicContact CG-CD2 3.71Å; M190-L197 HydrophobicContact CG-CG 4.22Å; M190-L197 HydrophobicContact SD-CD1 4.21Å; M190-L197 HydrophobicContact SD-CD2 3.8Å; M190-I201 HydrophobicContact CE-CG1 4.08Å
191E69.4Low74.2Confident103 Ų10360.1 Ų60.148%0.48130%0.301SS..Hα-helixtrans-57.9-42.6174-71.9-178.3158.900111.8F187 N193 E194 I201F187-E191 HydrophobicContact CD1-CG 3.83Å; F187-E191 HydrophobicContact CE1-CG 3.69Å; F187-E191 PolarHBondContact O-N 3.07Å; E191-N193 PolarHBondContact O-N 3.5Å; E191-N193 VanDerWaalsContact O-N 3.16Å; E191-E194 WeakPolarHBondContact O-CG 3.49Å; E191-E194 PolarHBondContact O-N 3.42Å; E191-I201 HydrophobicContact CG-CD1 4.22Å
192Q67.8Low72.8Confident148 Ų14860.8 Ų60.869%0.69231%0.305SS*.THydrogen-bonded Turntrans-63.1-22.2175.2-70.4172.417.100113.3D188 M190D188-Q192 VanDerWaalsContact O-CG 3.28Å; D188-Q192 WeakPolarHBondContact O-CG 3.37Å; D188-Q192 PolarHBondContact O-N 2.65Å; M190-Q192 VanDerWaalsContact C-N 3.32Å; M190-Q192 PolarHBondContact O-N 3.02Å
193N65.5Low71.5Confident66 Ų6662 Ų6235%0.35331%0.31SS..THydrogen-bonded Turntrans-112.322.8-176.2-72.8-47.9000112.3L189 M190 E191 L195 F196L189-N193 WeakPolarHBondContact O-CB 3.45Å; L189-N193 PolarHBondContact O-ND2 2.92Å; M190-N193 CarbonylContact O-C 3.21Å; M190-N193 WeakPolarHBondContact O-CA 3.36Å; M190-N193 PolarHBondContact O-N 3.27Å; E191-N193 PolarHBondContact O-N 3.5Å; E191-N193 VanDerWaalsContact O-N 3.16Å; N193-L195 PolarHBondContact O-N 2.98Å; N193-F196 HydrophobicContact CB-CD2 3.89Å; N193-F196 WeakPolarHBondContact O-CB 3.4Å; N193-F196 PolarHBondContact O-N 3.48Å
194E59.7Low70.1Confident114 Ų11461.7 Ų61.753%0.53331%0.308SS..G310 helixtrans-48.4-33.7179.3-87.5176.7-167.400113.2M190 E191 F196 L197M190-E194 PolarHBondContact O-N 2.88Å; M190-E194 VanDerWaalsContact O-N 3.11Å; E191-E194 WeakPolarHBondContact O-CG 3.49Å; E191-E194 PolarHBondContact O-N 3.42Å; E194-F196 PolarHBondContact O-N 3.23Å; E194-F196 VanDerWaalsContact O-N 3.12Å; E194-L197 HydrophobicContact CG-CD1 4.41Å; E194-L197 PolarHBondContact O-N 3.16Å; E194-L197 VanDerWaalsContact O-N 3.08Å
195L57.6Low68.9Low174 Ų17462.9 Ų62.991%0.91132%0.315SS*.G310 helixtrans-59.5-21.7176.3-118.8103.7000114.5N193N193-L195 PolarHBondContact O-N 2.98Å
196F58.4Low67.5Low140 Ų14069.6 Ų69.661%0.61435%0.346SS*.G310 helixtrans-99.1-8.4179.9-61.7-78.3000113V157 N193 E194V157-F196 HydrophobicContact CG1-CB 4.39Å; N193-F196 HydrophobicContact CB-CD2 3.89Å; N193-F196 WeakPolarHBondContact O-CB 3.4Å; N193-F196 PolarHBondContact O-N 3.48Å; E194-F196 PolarHBondContact O-N 3.23Å; E194-F196 VanDerWaalsContact O-N 3.12Å
197L56.9Low65.8Low22 Ų2270.9 Ų70.912%0.11536%0.359CS..  trans-74.8135174.2-65.4173000109.2V157 M190 E194 F199 Y204V157-L197 HydrophobicContact CG2-CD2 4.4Å; M190-L197 HydrophobicContact CE-CD1 3.8Å; M190-L197 HydrophobicContact CE-CD2 4.44Å; M190-L197 HydrophobicContact CG-CD1 3.97Å; M190-L197 HydrophobicContact CG-CD2 3.71Å; M190-L197 HydrophobicContact CG-CG 4.22Å; M190-L197 HydrophobicContact SD-CD1 4.21Å; M190-L197 HydrophobicContact SD-CD2 3.8Å; E194-L197 HydrophobicContact CG-CD1 4.41Å; E194-L197 PolarHBondContact O-N 3.16Å; E194-L197 VanDerWaalsContact O-N 3.08Å; L197-F199 WeakPolarHBondContact CB-O 3.38Å; L197-F199 PolarHBondContact O-N 3.3Å; L197-Y204 HydrophobicContact CD2-CE2 4.15Å
198S60Low64.8Low49 Ų4971.9 Ų71.934%0.34336%0.364SS..SBendtrans-70.4-18.4171.5-59.80000111.7
199F60.4Low64Low32 Ų3272.2 Ų72.214%0.1437%0.366CS..SBendtrans-141159.7-171.7-51-75000112.9L197 F203 Y204 L213 H216L197-F199 WeakPolarHBondContact CB-O 3.38Å; L197-F199 PolarHBondContact O-N 3.3Å; F199-F203 HydrophobicContact CB-CB 3.71Å; F199-F203 HydrophobicContact CB-CD1 3.7Å; F199-F203 HydrophobicContact CB-CD2 4.49Å; F199-F203 HydrophobicContact CB-CE1 4.47Å; F199-F203 HydrophobicContact CB-CG 3.71Å; F199-F203 HydrophobicContact CD1-CD1 4.48Å; F199-F203 HydrophobicContact CD1-CD2 4.43Å; F199-F203 HydrophobicContact CD1-CG 4.41Å; F199-F203 AromaticContact CD2-CD1 3.73Å; F199-F203 HydrophobicContact CD2-CD1 3.73Å; F199-F203 AromaticContact CD2-CE1 3.67Å; F199-F203 HydrophobicContact CD2-CE1 3.67Å; F199-F203 HydrophobicContact CD2-CG 4.41Å; F199-F203 HydrophobicContact CD2-CZ 4.29Å; F199-F203 HydrophobicContact CE2-CE1 4.07Å; F199-F203 HydrophobicContact CE2-CZ 4.4Å; F199-F203 HydrophobicContact CG-CB 4.44Å; F199-F203 AromaticContact CG-CD1 3.69Å; F199-F203 HydrophobicContact CG-CD1 3.69Å; F199-F203 HydrophobicContact CG-CD2 4.37Å; F199-F203 AromaticContact CG-CE1 3.97Å; F199-F203 HydrophobicContact CG-CE1 3.97Å; F199-F203 AromaticContact CG-CG 3.91Å; F199-F203 HydrophobicContact CG-CG 3.91Å; F199-F203 HydrophobicContact CG-CZ 4.41Å; F199-Y204 HydrophobicContact CB-CE2 3.92Å; F199-L213 HydrophobicContact CE2-CD1 4.04Å; F199-H216 AromaticContact CE1-CE1 3.98Å; F199-H216 AromaticContact CE1-ND1 3.86Å; F199-H216 HydrophobicContact CZ-CB 4.28Å; F199-H216 AromaticContact CZ-CG 3.93Å; F199-H216 AromaticContact CZ-ND1 3.58Å
200N64.2Low63.6Low106 Ų10669.5 Ų69.557%0.56735%0.352SS*.  trans-62.8151.3169.9-174.39.6000110.4D202 F203N200-D202 PolarHBondContact ND2-OD2 3.3Å; N200-D202 PolarHBondContact O-N 3.32Å; N200-D202 VanDerWaalsContact O-N 3.15Å; N200-F203 WeakPolarHBondContact O-CB 3.01Å; N200-F203 PolarHBondContact O-N 3.29Å
201I62.4Low63.4Low31 Ų3173.4 Ų73.416%0.15937%0.37CS..Hα-helixtrans-48.8-41.6178.1-72.9167.3000112.1F187 M190 E191 F203 Y204 T205F187-I201 HydrophobicContact CE1-CD1 4.06Å; F187-I201 HydrophobicContact CE1-CG1 4.39Å; F187-I201 HydrophobicContact CE1-CG2 4.23Å; F187-I201 HydrophobicContact CZ-CB 4.29Å; F187-I201 HydrophobicContact CZ-CD1 4.08Å; F187-I201 HydrophobicContact CZ-CG1 3.9Å; F187-I201 HydrophobicContact CZ-CG2 3.55Å; M190-I201 HydrophobicContact CE-CG1 4.08Å; E191-I201 HydrophobicContact CG-CD1 4.22Å; I201-F203 PolarHBondContact O-N 3.41Å; I201-F203 VanDerWaalsContact O-N 3.12Å; I201-Y204 PolarHBondContact O-N 3.16Å; I201-T205 HydrophobicContact CG2-CG2 4.45Å; I201-T205 PolarHBondContact O-N 3.4Å; I201-T205 PolarHBondContact O-OG1 3.4Å
202D64.7Low63.4Low83 Ų8374.2 Ų74.244%0.44437%0.37SS..Hα-helixtrans-57.8-27.8-179.3-56-34.4000113.3N200 Y204 T205 E206N200-D202 PolarHBondContact ND2-OD2 3.3Å; N200-D202 PolarHBondContact O-N 3.32Å; N200-D202 VanDerWaalsContact O-N 3.15Å; D202-Y204 VanDerWaalsContact C-N 3.32Å; D202-Y204 PolarHBondContact O-N 3.41Å; D202-T205 WeakPolarHBondContact CA-OG1 3.4Å; D202-T205 PolarHBondContact O-N 2.87Å; D202-T205 PolarHBondContact O-OG1 3.49Å; D202-E206 PolarHBondContact O-N 3.38Å
203F64.5Low63.8Low28 Ų2867.1 Ų67.112%0.12334%0.337CS..Hα-helixtrans-63.7-38.7176.1177.7-97.8000112.1F199 N200 I201 V207 D209 L213F199-F203 HydrophobicContact CB-CB 3.71Å; F199-F203 HydrophobicContact CB-CD1 3.7Å; F199-F203 HydrophobicContact CB-CD2 4.49Å; F199-F203 HydrophobicContact CB-CE1 4.47Å; F199-F203 HydrophobicContact CB-CG 3.71Å; F199-F203 HydrophobicContact CD1-CD1 4.48Å; F199-F203 HydrophobicContact CD1-CD2 4.43Å; F199-F203 HydrophobicContact CD1-CG 4.41Å; F199-F203 AromaticContact CD2-CD1 3.73Å; F199-F203 HydrophobicContact CD2-CD1 3.73Å; F199-F203 AromaticContact CD2-CE1 3.67Å; F199-F203 HydrophobicContact CD2-CE1 3.67Å; F199-F203 HydrophobicContact CD2-CG 4.41Å; F199-F203 HydrophobicContact CD2-CZ 4.29Å; F199-F203 HydrophobicContact CE2-CE1 4.07Å; F199-F203 HydrophobicContact CE2-CZ 4.4Å; F199-F203 HydrophobicContact CG-CB 4.44Å; F199-F203 AromaticContact CG-CD1 3.69Å; F199-F203 HydrophobicContact CG-CD1 3.69Å; F199-F203 HydrophobicContact CG-CD2 4.37Å; F199-F203 AromaticContact CG-CE1 3.97Å; F199-F203 HydrophobicContact CG-CE1 3.97Å; F199-F203 AromaticContact CG-CG 3.91Å; F199-F203 HydrophobicContact CG-CG 3.91Å; F199-F203 HydrophobicContact CG-CZ 4.41Å; N200-F203 WeakPolarHBondContact O-CB 3.01Å; N200-F203 PolarHBondContact O-N 3.29Å; I201-F203 PolarHBondContact O-N 3.41Å; I201-F203 VanDerWaalsContact O-N 3.12Å; F203-V207 CarbonylContact O-C 3.59Å; F203-V207 VanDerWaalsContact O-O 3.1Å; F203-D209 HydrophobicContact CE2-CB 4.28Å; F203-D209 VanDerWaalsContact CE2-O 3.25Å; F203-D209 WeakPolarHBondContact CE2-O 3.47Å; F203-D209 VanDerWaalsContact CZ-O 3.29Å; F203-D209 WeakPolarHBondContact CZ-O 3.37Å; F203-L213 HydrophobicContact CE1-CD1 4.37Å; F203-L213 HydrophobicContact CZ-CB 4.49Å
204Y64.5Low64.2Low1 Ų164.8 Ų64.80%0.00432%0.324CS..Hα-helixtrans-82.3-16.6-176.5-60.7-81.6000112.6C156 F162 L197 F199 I201 D202C156-Y204 HydrophobicContact CB-CD1 3.87Å; C156-Y204 HydrophobicContact CB-CE1 3.6Å; C156-Y204 PolarHBondContact O-OH 3.1Å; C156-Y204 VanDerWaalsContact O-OH 3.04Å; F162-Y204 HydrophobicContact CD1-CD1 4.42Å; F162-Y204 HydrophobicContact CD1-CE1 4.3Å; F162-Y204 AromaticContact CE1-CD1 3.88Å; F162-Y204 HydrophobicContact CE1-CD1 3.88Å; F162-Y204 HydrophobicContact CE1-CE1 4.18Å; F162-Y204 HydrophobicContact CE2-CD1 4.02Å; F162-Y204 AromaticContact CZ-CD1 3.67Å; F162-Y204 HydrophobicContact CZ-CD1 3.67Å; F162-Y204 HydrophobicContact CZ-CE1 4.34Å; L197-Y204 HydrophobicContact CD2-CE2 4.15Å; F199-Y204 HydrophobicContact CB-CE2 3.92Å; I201-Y204 PolarHBondContact O-N 3.16Å; D202-Y204 VanDerWaalsContact C-N 3.32Å; D202-Y204 PolarHBondContact O-N 3.41Å
205T66Low64.9Low24 Ų2465.2 Ų65.215%0.14733%0.326CS..Hα-helixtrans-105.9-40-174.954.50000113.5I201 D202 F245 P247I201-T205 HydrophobicContact CG2-CG2 4.45Å; I201-T205 PolarHBondContact O-N 3.4Å; I201-T205 PolarHBondContact O-OG1 3.4Å; D202-T205 WeakPolarHBondContact CA-OG1 3.4Å; D202-T205 PolarHBondContact O-N 2.87Å; D202-T205 PolarHBondContact O-OG1 3.49Å; T205-F245 WeakPolarHBondContact CA-O 3.31Å; T205-P247 HydrophobicContact CG2-CG 4.18Å
206E61.7Low65.8Low153 Ų15361.3 Ų61.372%0.71530%0.303SS*.THydrogen-bonded Turntrans-111.8-40.3-167.2-61.5-168.6165.900114.3D202D202-E206 PolarHBondContact O-N 3.38Å
207V54.3Low66.6Low95 Ų9555.6 Ų55.658%0.57628%0.278SS*.  trans-14198.1-172.5-173.50000111.1F203 D209F203-V207 CarbonylContact O-C 3.59Å; F203-V207 VanDerWaalsContact O-O 3.1Å; V207-D209 PolarHBondContact O-N 2.96Å
208L62.2Low67.3Low30 Ų3057.8 Ų57.816%0.15729%0.294CS..  trans-74.274.3170.6-66.6177.5000110.6F162 L166 L210 Q238 V243F162-L208 HydrophobicContact CE1-CD2 3.75Å; F162-L208 HydrophobicContact CZ-CD2 3.76Å; L166-L208 HydrophobicContact CD1-CD1 4.48Å; L166-L208 HydrophobicContact CD2-CD1 3.51Å; L166-L208 HydrophobicContact CD2-CD2 4.18Å; L208-L210 HydrophobicContact CB-CD2 3.96Å; L208-L210 HydrophobicContact CB-CG 4.23Å; L208-L210 HydrophobicContact CD2-CD2 4.21Å; L208-L210 PolarHBondContact O-N 3.04Å; L208-Q238 PolarHBondContact O-NE2 2.99Å; L208-V243 HydrophobicContact CD1-CB 4.17Å; L208-V243 HydrophobicContact CD1-CG1 4.24Å; L208-V243 WeakPolarHBondContact CD1-O 3.48Å
209D67.8Low67.9Low57 Ų5765 Ų6531%0.30532%0.322SS..  trans-78.481.9161.5-165.2-10.4000110.1F203 V207 H211 Y212F203-D209 HydrophobicContact CE2-CB 4.28Å; F203-D209 VanDerWaalsContact CE2-O 3.25Å; F203-D209 WeakPolarHBondContact CE2-O 3.47Å; F203-D209 VanDerWaalsContact CZ-O 3.29Å; F203-D209 WeakPolarHBondContact CZ-O 3.37Å; V207-D209 PolarHBondContact O-N 2.96Å; D209-H211 PolarHBondContact O-N 3.13Å; D209-H211 VanDerWaalsContact O-N 3.1Å; D209-H211 WeakPolarHBondContact OD1-CB 3.41Å; D209-H211 PolarHBondContact OD1-N 2.91Å; D209-Y212 HydrophobicContact CB-CD2 3.9Å; D209-Y212 HydrophobicContact CB-CE2 4.46Å; D209-Y212 PolarHBondContact O-N 3.19Å; D209-Y212 WeakPolarHBondContact OD2-CD2 3.5Å; D209-Y212 VanDerWaalsContact OD2-CE2 3.24Å; D209-Y212 WeakPolarHBondContact OD2-CE2 3.39Å
210L72.9Confident68.6Low0 Ų065.9 Ų65.90%033%0.332CS..Hα-helixtrans-64.2-10.3179-55.2-174.7000113.1L166 L208 Y212 L213 L214 V237 Q238L166-L210 HydrophobicContact CD1-CD1 3.82Å; L166-L210 HydrophobicContact CD1-CD2 3.34Å; L166-L210 HydrophobicContact CD1-CG 4.25Å; L208-L210 HydrophobicContact CB-CD2 3.96Å; L208-L210 HydrophobicContact CB-CG 4.23Å; L208-L210 HydrophobicContact CD2-CD2 4.21Å; L208-L210 PolarHBondContact O-N 3.04Å; L210-Y212 VanDerWaalsContact C-N 3.34Å; L210-L213 HydrophobicContact CD2-CD2 4.19Å; L210-L213 WeakPolarHBondContact O-CB 3.22Å; L210-L213 PolarHBondContact O-N 3.41Å; L210-L214 VanDerWaalsContact O-CG 3.29Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 3.11Å; L210-V237 HydrophobicContact CD1-CB 3.76Å; L210-V237 HydrophobicContact CD1-CG1 3.84Å; L210-Q238 HydrophobicContact CB-CG 4.29Å; L210-Q238 HydrophobicContact CD1-CG 3.97Å; L210-Q238 HydrophobicContact CG-CG 3.98Å
211H70Confident69.3Low85 Ų8566 Ų6639%0.39434%0.341SS..Hα-helixtrans-62.1-45.8171.9-163.962.1000110.8D209 L213 L214 E215D209-H211 PolarHBondContact O-N 3.13Å; D209-H211 VanDerWaalsContact O-N 3.1Å; D209-H211 WeakPolarHBondContact OD1-CB 3.41Å; D209-H211 PolarHBondContact OD1-N 2.91Å; H211-L213 VanDerWaalsContact C-N 3.31Å; H211-L213 PolarHBondContact O-N 2.83Å; H211-L214 WeakPolarHBondContact O-CB 3.46Å; H211-L214 PolarHBondContact O-N 3.04Å; H211-L214 VanDerWaalsContact O-N 3.16Å; H211-E215 IonicContact NE2-OE1 3.65Å; H211-E215 PolarHBondContact O-N 3.16Å
212Y70.5Confident69.9Low120 Ų12071 Ų7147%0.47136%0.362SS..Hα-helixtrans-64.8-34.8176.7-73.6-80.2000112.7D209 L210 L214 E215 H216D209-Y212 HydrophobicContact CB-CD2 3.9Å; D209-Y212 HydrophobicContact CB-CE2 4.46Å; D209-Y212 PolarHBondContact O-N 3.19Å; D209-Y212 WeakPolarHBondContact OD2-CD2 3.5Å; D209-Y212 VanDerWaalsContact OD2-CE2 3.24Å; D209-Y212 WeakPolarHBondContact OD2-CE2 3.39Å; L210-Y212 VanDerWaalsContact C-N 3.34Å; Y212-L214 VanDerWaalsContact C-N 3.28Å; Y212-L214 PolarHBondContact O-N 2.92Å; Y212-E215 PolarHBondContact O-N 3.08Å; Y212-H216 PolarHBondContact O-N 3Å; Y212-H216 PolarHBondContact O-ND1 2.7Å
213L75.5Confident70.4Confident0 Ų068 Ų680%035%0.347CS..Hα-helixtrans-58.9-41.1174.3-169.586.8000111.4P159 F162 L163 F199 F203 L210 H211 H216P159-L213 HydrophobicContact CB-CD1 4.11Å; P159-L213 HydrophobicContact CB-CG 3.97Å; F162-L213 HydrophobicContact CB-CD1 4.49Å; F162-L213 HydrophobicContact CD1-CD1 3.7Å; F162-L213 HydrophobicContact CD1-CD2 4.1Å; L163-L213 HydrophobicContact CB-CD2 4.2Å; F199-L213 HydrophobicContact CE2-CD1 4.04Å; F203-L213 HydrophobicContact CE1-CD1 4.37Å; F203-L213 HydrophobicContact CZ-CB 4.49Å; L210-L213 HydrophobicContact CD2-CD2 4.19Å; L210-L213 WeakPolarHBondContact O-CB 3.22Å; L210-L213 PolarHBondContact O-N 3.41Å; H211-L213 VanDerWaalsContact C-N 3.31Å; H211-L213 PolarHBondContact O-N 2.83Å; L213-H216 PolarHBondContact O-N 3.39Å
214L73.5Confident71.1Confident16 Ų1670.7 Ų70.78%0.08437%0.369CS..Hα-helixtrans-70.4-33.2-179.1-65.9164.6000112.6L210 H211 Y212 H216 M217 S230 K231L210-L214 VanDerWaalsContact O-CG 3.29Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 3.11Å; H211-L214 WeakPolarHBondContact O-CB 3.46Å; H211-L214 PolarHBondContact O-N 3.04Å; H211-L214 VanDerWaalsContact O-N 3.16Å; Y212-L214 VanDerWaalsContact C-N 3.28Å; Y212-L214 PolarHBondContact O-N 2.92Å; L214-H216 VanDerWaalsContact C-N 3.26Å; L214-H216 PolarHBondContact O-N 3.12Å; L214-M217 HydrophobicContact CD2-CE 3.7Å; L214-M217 HydrophobicContact CD2-SD 3.99Å; L214-M217 PolarHBondContact O-N 3.11Å; L214-S230 VanDerWaalsContact CD2-CB 3.44Å; L214-K231 HydrophobicContact CD1-CB 4.02Å; L214-K231 HydrophobicContact CD1-CG 4.2Å
215E75.2Confident72.1Confident124 Ų12478 Ų7858%0.57940%0.401SS*.Hα-helixtrans-65.9-29.9176.1-67.6-174.6162.900112.6H211 Y212H211-E215 IonicContact NE2-OE1 3.65Å; H211-E215 PolarHBondContact O-N 3.16Å; Y212-E215 PolarHBondContact O-N 3.08Å
216H75.7Confident73.1Confident91 Ų9180.7 Ų80.742%0.42141%0.409SS..THydrogen-bonded Turntrans-92.45.3-179.8-66.877.9000113.4P159 F199 Y212 L213 L214P159-H216 HydrophobicContact CG-CB 4.47Å; F199-H216 AromaticContact CE1-CE1 3.98Å; F199-H216 AromaticContact CE1-ND1 3.86Å; F199-H216 HydrophobicContact CZ-CB 4.28Å; F199-H216 AromaticContact CZ-CG 3.93Å; F199-H216 AromaticContact CZ-ND1 3.58Å; Y212-H216 PolarHBondContact O-N 3Å; Y212-H216 PolarHBondContact O-ND1 2.7Å; L213-H216 PolarHBondContact O-N 3.39Å; L214-H216 VanDerWaalsContact C-N 3.26Å; L214-H216 PolarHBondContact O-N 3.12Å
217M75.8Confident74.2Confident20 Ų2077.2 Ų77.210%0.09940%0.395CS..SBendtrans-63.4136.1173.6-77.7-170.6173.800110.3P159 L163 L214 E219P159-M217 HydrophobicContact CB-CG 3.9Å; L163-M217 HydrophobicContact CD2-CE 3.99Å; L214-M217 HydrophobicContact CD2-CE 3.7Å; L214-M217 HydrophobicContact CD2-SD 3.99Å; L214-M217 PolarHBondContact O-N 3.11Å; M217-E219 PolarHBondContact O-N 3.31Å
218P72.8Confident75.8Confident69 Ų6980.6 Ų80.645%0.44840%0.402SS..  trans-59.1128.7-179.322.5-32.1000110.6S220 T223P218-S220 PolarHBondContact O-N 2.81Å; P218-S220 VanDerWaalsContact O-N 3.09Å; P218-T223 WeakPolarHBondContact O-CB 3.37Å; P218-T223 WeakPolarHBondContact O-CG2 3.36Å; P218-T223 PolarHBondContact O-OG1 2.96Å
219E71.3Confident77.1Confident201 Ų20183.4 Ų83.494%0.93942%0.417SS*.  trans-67.8108.8175.6-70.6-168.3164.900109.9M217M217-E219 PolarHBondContact O-N 3.31Å
220S76.2Confident78Confident49 Ų4981.6 Ų81.634%0.34341%0.409SS..  trans-137162.2175.3710000109.4P218 F222 T223 S224P218-S220 PolarHBondContact O-N 2.81Å; P218-S220 VanDerWaalsContact O-N 3.09Å; S220-F222 PolarHBondContact O-N 2.95Å; S220-F222 PolarHBondContact OG-N 3.16Å; S220-T223 PolarHBondContact N-OG1 3.45Å; S220-T223 PolarHBondContact O-N 3.32Å; S220-T223 PolarHBondContact O-OG1 2.88Å; S220-T223 PolarHBondContact OG-N 2.77Å; S220-T223 PolarHBondContact OG-OG1 2.84Å; S220-S224 WeakPolarHBondContact O-CB 3.36Å; S220-S224 PolarHBondContact O-N 3.5Å; S220-S224 PolarHBondContact O-OG 3.4Å
221S77.1Confident78.7Confident109 Ų10985.8 Ų85.876%0.76243%0.427SS*.Hα-helixtrans-58.2-27.7172.857.60000112.3S224 K225S221-S224 WeakPolarHBondContact CA-OG 3.32Å; S221-S224 PolarHBondContact O-OG 2.98Å; S221-K225 WeakPolarHBondContact O-CB 3.36Å
222F76.3Confident79.7Confident137 Ų13785.9 Ų85.960%0.60143%0.43SS*.Hα-helixtrans-76.7-52.2176.5-174.3-90.9000112S220 S224 K225 Y226S220-F222 PolarHBondContact O-N 2.95Å; S220-F222 PolarHBondContact OG-N 3.16Å; F222-S224 PolarHBondContact O-N 3.41Å; F222-K225 WeakPolarHBondContact O-CB 3.45Å; F222-K225 PolarHBondContact O-N 2.95Å; F222-Y226 AromaticContact CD1-CD2 3.93Å; F222-Y226 HydrophobicContact CD1-CD2 3.93Å; F222-Y226 HydrophobicContact CD1-CE2 4.41Å; F222-Y226 AromaticContact CD2-CD2 3.9Å; F222-Y226 HydrophobicContact CD2-CD2 3.9Å; F222-Y226 AromaticContact CD2-CE2 3.55Å; F222-Y226 HydrophobicContact CD2-CE2 3.55Å; F222-Y226 AromaticContact CE1-CD2 3.73Å; F222-Y226 HydrophobicContact CE1-CD2 3.73Å; F222-Y226 HydrophobicContact CE1-CE2 4.18Å; F222-Y226 AromaticContact CE2-CD2 3.72Å; F222-Y226 HydrophobicContact CE2-CD2 3.72Å; F222-Y226 AromaticContact CE2-CE2 3.27Å; F222-Y226 HydrophobicContact CE2-CE2 3.27Å; F222-Y226 AromaticContact CG-CD2 4Å; F222-Y226 HydrophobicContact CG-CD2 4Å; F222-Y226 HydrophobicContact CG-CE2 4.12Å; F222-Y226 AromaticContact CZ-CD2 3.62Å; F222-Y226 HydrophobicContact CZ-CD2 3.62Å; F222-Y226 AromaticContact CZ-CE2 3.61Å; F222-Y226 HydrophobicContact CZ-CE2 3.61Å; F222-Y226 WeakPolarHBondContact O-CD2 3.39Å; F222-Y226 PolarHBondContact O-N 3.5Å; F222-Y226 VanDerWaalsContact O-N 3.14Å
223T75.8Confident80.6Confident20 Ų2083 Ų8312%0.12342%0.422CS..Hα-helixtrans-65.1-39.4-178.347.70000112.1P218 S220 K225 Y226 N227P218-T223 WeakPolarHBondContact O-CB 3.37Å; P218-T223 WeakPolarHBondContact O-CG2 3.36Å; P218-T223 PolarHBondContact O-OG1 2.96Å; S220-T223 PolarHBondContact N-OG1 3.45Å; S220-T223 PolarHBondContact O-N 3.32Å; S220-T223 PolarHBondContact O-OG1 2.88Å; S220-T223 PolarHBondContact OG-N 2.77Å; S220-T223 PolarHBondContact OG-OG1 2.84Å; T223-K225 VanDerWaalsContact C-N 3.3Å; T223-K225 PolarHBondContact O-N 3.42Å; T223-Y226 CarbonylContact O-C 3.55Å; T223-Y226 PolarHBondContact O-N 3.33Å; T223-N227 WeakPolarHBondContact O-CA 3.48Å; T223-N227 WeakPolarHBondContact O-CB 3.28Å; T223-N227 PolarHBondContact O-N 3.08Å
224S78.7Confident81.2Confident84 Ų8483 Ų8359%0.58742%0.423SS*.Hα-helixtrans-59.6-39.2174.154.60000112.7S220 S221 F222S220-S224 WeakPolarHBondContact O-CB 3.36Å; S220-S224 PolarHBondContact O-N 3.5Å; S220-S224 PolarHBondContact O-OG 3.4Å; S221-S224 WeakPolarHBondContact CA-OG 3.32Å; S221-S224 PolarHBondContact O-OG 2.98Å; F222-S224 PolarHBondContact O-N 3.41Å
225K85.9Confident81.9Confident153 Ų15385.8 Ų85.867%0.66544%0.435SS*.Hα-helixtrans-67-38176.9-175.5-177.3177.6-166.50112.7S221 F222 T223S221-K225 WeakPolarHBondContact O-CB 3.36Å; F222-K225 WeakPolarHBondContact O-CB 3.45Å; F222-K225 PolarHBondContact O-N 2.95Å; T223-K225 VanDerWaalsContact C-N 3.3Å; T223-K225 PolarHBondContact O-N 3.42Å
226Y85.6Confident82.6Confident82 Ų8283 Ų8332%0.32243%0.427SS..Hα-helixtrans-1046.1-174.3-60.9-68.1000114.5F222 T223 K228 L229 S230F222-Y226 AromaticContact CD1-CD2 3.93Å; F222-Y226 HydrophobicContact CD1-CD2 3.93Å; F222-Y226 HydrophobicContact CD1-CE2 4.41Å; F222-Y226 AromaticContact CD2-CD2 3.9Å; F222-Y226 HydrophobicContact CD2-CD2 3.9Å; F222-Y226 AromaticContact CD2-CE2 3.55Å; F222-Y226 HydrophobicContact CD2-CE2 3.55Å; F222-Y226 AromaticContact CE1-CD2 3.73Å; F222-Y226 HydrophobicContact CE1-CD2 3.73Å; F222-Y226 HydrophobicContact CE1-CE2 4.18Å; F222-Y226 AromaticContact CE2-CD2 3.72Å; F222-Y226 HydrophobicContact CE2-CD2 3.72Å; F222-Y226 AromaticContact CE2-CE2 3.27Å; F222-Y226 HydrophobicContact CE2-CE2 3.27Å; F222-Y226 AromaticContact CG-CD2 4Å; F222-Y226 HydrophobicContact CG-CD2 4Å; F222-Y226 HydrophobicContact CG-CE2 4.12Å; F222-Y226 AromaticContact CZ-CD2 3.62Å; F222-Y226 HydrophobicContact CZ-CD2 3.62Å; F222-Y226 AromaticContact CZ-CE2 3.61Å; F222-Y226 HydrophobicContact CZ-CE2 3.61Å; F222-Y226 WeakPolarHBondContact O-CD2 3.39Å; F222-Y226 PolarHBondContact O-N 3.5Å; F222-Y226 VanDerWaalsContact O-N 3.14Å; T223-Y226 CarbonylContact O-C 3.55Å; T223-Y226 PolarHBondContact O-N 3.33Å; Y226-K228 VanDerWaalsContact C-N 3.28Å; Y226-K228 PolarHBondContact O-N 3.28Å; Y226-L229 HydrophobicContact CD1-CD2 4.45Å; Y226-L229 WeakPolarHBondContact O-CA 3.27Å; Y226-L229 WeakPolarHBondContact O-CB 3.31Å; Y226-L229 PolarHBondContact O-N 3.08Å; Y226-S230 PolarHBondContact O-N 3.3Å; Y226-S230 PolarHBondContact O-OG 3.43Å
227N84.6Confident83.2Confident79 Ų7978.8 Ų78.842%0.42241%0.407SS..Hα-helixtrans-53.1-44.5-178.1-173.2-46.6000112.3T223 L229 S230 K231T223-N227 WeakPolarHBondContact O-CA 3.48Å; T223-N227 WeakPolarHBondContact O-CB 3.28Å; T223-N227 PolarHBondContact O-N 3.08Å; N227-L229 VanDerWaalsContact C-N 3.28Å; N227-L229 PolarHBondContact O-N 3.22Å; N227-S230 PolarHBondContact O-N 2.89Å; N227-K231 PolarHBondContact O-N 3.2Å
228K88.3Confident83.7Confident166 Ų16681.3 Ų81.372%0.72242%0.419SS*.Hα-helixtrans-59.1-37.8176.1-173.9177.3179.9-179.40112.9Y226 L232Y226-K228 VanDerWaalsContact C-N 3.28Å; Y226-K228 PolarHBondContact O-N 3.28Å; K228-L232 WeakPolarHBondContact O-CG 3.31Å; K228-L232 PolarHBondContact O-N 2.83Å
229L89.3Confident84.3Confident89 Ų8984.5 Ų84.547%0.46643%0.432SS..Hα-helixtrans-68.5-48.5176.5173.963.8000110.4Y226 N227 K231 L232 L233Y226-L229 HydrophobicContact CD1-CD2 4.45Å; Y226-L229 WeakPolarHBondContact O-CA 3.27Å; Y226-L229 WeakPolarHBondContact O-CB 3.31Å; Y226-L229 PolarHBondContact O-N 3.08Å; N227-L229 VanDerWaalsContact C-N 3.28Å; N227-L229 PolarHBondContact O-N 3.22Å; L229-K231 PolarHBondContact O-N 2.99Å; L229-L232 PolarHBondContact O-N 2.9Å; L229-L232 VanDerWaalsContact O-N 3.15Å; L229-L233 HydrophobicContact CD1-CD1 4.13Å; L229-L233 HydrophobicContact CD1-CG 4.12Å; L229-L233 HydrophobicContact CG-CD1 3.95Å; L229-L233 HydrophobicContact CG-CG 4.36Å; L229-L233 WeakPolarHBondContact O-CG 3.33Å; L229-L233 PolarHBondContact O-N 3.21Å
230S87.7Confident84.9Confident20 Ų2079.7 Ų79.714%0.1441%0.408CS..Hα-helixtrans-56-41176.9-55.80000111.5L214 Y226 N227 L233 S234L214-S230 VanDerWaalsContact CD2-CB 3.44Å; Y226-S230 PolarHBondContact O-N 3.3Å; Y226-S230 PolarHBondContact O-OG 3.43Å; N227-S230 PolarHBondContact O-N 2.89Å; S230-L233 PolarHBondContact O-N 3.22Å; S230-S234 PolarHBondContact O-N 3.44Å; S230-S234 PolarHBondContact O-OG 3.21Å
231K87.6Confident85.2Confident88 Ų8880.4 Ų80.438%0.38342%0.423SS..Hα-helixtrans-60-49.6175.1-175.6173.5176174.10112.9L214 N227 L229 L233 S234 E235L214-K231 HydrophobicContact CD1-CB 4.02Å; L214-K231 HydrophobicContact CD1-CG 4.2Å; N227-K231 PolarHBondContact O-N 3.2Å; L229-K231 PolarHBondContact O-N 2.99Å; K231-L233 VanDerWaalsContact C-N 3.3Å; K231-L233 PolarHBondContact O-N 3.35Å; K231-S234 WeakPolarHBondContact O-CB 3.43Å; K231-S234 PolarHBondContact O-N 3.09Å; K231-E235 WeakPolarHBondContact CE-OE1 3.37Å; K231-E235 WeakPolarHBondContact O-CG 3.46Å; K231-E235 PolarHBondContact O-N 3.26Å
232L90.9Very high85.4Confident87 Ų8779.2 Ų79.246%0.45541%0.408SS..Hα-helixtrans-62.9-37.5177.7-69.9170.3000112.1K228 L229 E235 V236K228-L232 WeakPolarHBondContact O-CG 3.31Å; K228-L232 PolarHBondContact O-N 2.83Å; L229-L232 PolarHBondContact O-N 2.9Å; L229-L232 VanDerWaalsContact O-N 3.15Å; L232-E235 PolarHBondContact O-N 2.78Å; L232-V236 WeakPolarHBondContact O-CG2 3.34Å; L232-V236 PolarHBondContact O-N 3.19Å
233L90Very high85.8Confident58 Ų5873.3 Ų73.330%0.30438%0.383SS..Hα-helixtrans-66.4-40.7176.5-70.4173.7000111.9L163 L167 L229 S230 K231 V236 V237L163-L233 HydrophobicContact CD2-CB 4.37Å; L167-L233 HydrophobicContact CD1-CB 4.13Å; L167-L233 HydrophobicContact CD1-CD1 3.99Å; L167-L233 HydrophobicContact CD1-CD2 4.12Å; L167-L233 HydrophobicContact CD1-CG 4.31Å; L167-L233 HydrophobicContact CD2-CB 4.32Å; L167-L233 HydrophobicContact CD2-CD2 4.15Å; L229-L233 HydrophobicContact CD1-CD1 4.13Å; L229-L233 HydrophobicContact CD1-CG 4.12Å; L229-L233 HydrophobicContact CG-CD1 3.95Å; L229-L233 HydrophobicContact CG-CG 4.36Å; L229-L233 WeakPolarHBondContact O-CG 3.33Å; L229-L233 PolarHBondContact O-N 3.21Å; S230-L233 PolarHBondContact O-N 3.22Å; K231-L233 VanDerWaalsContact C-N 3.3Å; K231-L233 PolarHBondContact O-N 3.35Å; L233-V236 PolarHBondContact O-N 3.22Å; L233-V237 PolarHBondContact O-N 3.36Å
234S87.1Confident86.2Confident2 Ų275.7 Ų75.71%0.01440%0.401CS..Hα-helixtrans-62.6-44.4173-68.80000112S230 K231 V236 V237 Q238S230-S234 PolarHBondContact O-N 3.44Å; S230-S234 PolarHBondContact O-OG 3.21Å; K231-S234 WeakPolarHBondContact O-CB 3.43Å; K231-S234 PolarHBondContact O-N 3.09Å; S234-V236 VanDerWaalsContact C-N 3.31Å; S234-V236 PolarHBondContact O-N 3.14Å; S234-V237 PolarHBondContact O-N 3.2Å; S234-V237 VanDerWaalsContact O-N 3.13Å; S234-Q238 WeakPolarHBondContact O-CG 3.41Å; S234-Q238 PolarHBondContact O-N 3.46Å
235E88.3Confident86.7Confident73 Ų7371.9 Ų71.934%0.34137%0.373SS..Hα-helixtrans-57.2-44.3175.8-74.2170.3-17200110.9K231 L232 V237 Q238 D239K231-E235 WeakPolarHBondContact CE-OE1 3.37Å; K231-E235 WeakPolarHBondContact O-CG 3.46Å; K231-E235 PolarHBondContact O-N 3.26Å; L232-E235 PolarHBondContact O-N 2.78Å; E235-V237 VanDerWaalsContact C-N 3.34Å; E235-V237 PolarHBondContact O-N 3.38Å; E235-Q238 PolarHBondContact O-N 3.08Å; E235-D239 WeakPolarHBondContact O-CB 3.27Å; E235-D239 PolarHBondContact O-N 3.21Å
236V89.1Confident86.8Confident66 Ų6670.3 Ų70.340%0.437%0.368SS..Hα-helixtrans-57.6-45.2175.3170.40000111.9L170 L232 L233 S234 F240L170-V236 HydrophobicContact CD2-CG1 4.35Å; L232-V236 WeakPolarHBondContact O-CG2 3.34Å; L232-V236 PolarHBondContact O-N 3.19Å; L233-V236 PolarHBondContact O-N 3.22Å; S234-V236 VanDerWaalsContact C-N 3.31Å; S234-V236 PolarHBondContact O-N 3.14Å; V236-F240 HydrophobicContact CG1-CD2 4.29Å; V236-F240 HydrophobicContact CG1-CE2 4.33Å; V236-F240 WeakPolarHBondContact O-CD2 3.32Å; V236-F240 PolarHBondContact O-N 2.87Å
237V88.2Confident86.9Confident3 Ų369.4 Ų69.42%0.01837%0.373CS..Hα-helixtrans-64.3-43.3179.3174.80000111.3L166 L167 L170 L210 L233 S234 E235 G241 V243L166-V237 HydrophobicContact CB-CG1 4.07Å; L166-V237 HydrophobicContact CB-CG2 4.14Å; L166-V237 HydrophobicContact CD1-CG1 4.41Å; L166-V237 HydrophobicContact CD2-CG1 4.43Å; L167-V237 HydrophobicContact CD2-CG2 3.69Å; L167-V237 HydrophobicContact CG-CG2 4.17Å; L170-V237 HydrophobicContact CD2-CG2 4.31Å; L210-V237 HydrophobicContact CD1-CB 3.76Å; L210-V237 HydrophobicContact CD1-CG1 3.84Å; L233-V237 PolarHBondContact O-N 3.36Å; S234-V237 PolarHBondContact O-N 3.2Å; S234-V237 VanDerWaalsContact O-N 3.13Å; E235-V237 VanDerWaalsContact C-N 3.34Å; E235-V237 PolarHBondContact O-N 3.38Å; V237-G241 PolarHBondContact O-N 3.34Å; V237-V243 HydrophobicContact CG1-CG2 4.46Å
238Q86.1Confident87.1Confident72 Ų7268.5 Ų68.534%0.33637%0.367SS..Hα-helixtrans-66.6-41.7179.6-72.3-177.6-37.200112.4L208 L210 S234 E235 F240 G241L208-Q238 PolarHBondContact O-NE2 2.99Å; L210-Q238 HydrophobicContact CB-CG 4.29Å; L210-Q238 HydrophobicContact CD1-CG 3.97Å; L210-Q238 HydrophobicContact CG-CG 3.98Å; S234-Q238 WeakPolarHBondContact O-CG 3.41Å; S234-Q238 PolarHBondContact O-N 3.46Å; E235-Q238 PolarHBondContact O-N 3.08Å; Q238-F240 VanDerWaalsContact C-N 3.3Å; Q238-F240 PolarHBondContact O-N 2.6Å; Q238-G241 WeakPolarHBondContact O-CA 3.15Å; Q238-G241 PolarHBondContact O-N 3Å
239D86.9Confident86.8Confident137 Ų13763 Ų6373%0.73335%0.352SS*.Hα-helixtrans-62.7-36.7-178.7-77.1-12000112.2E235 G241E235-D239 WeakPolarHBondContact O-CB 3.27Å; E235-D239 PolarHBondContact O-N 3.21Å; D239-G241 VanDerWaalsContact C-N 3.35Å
240F83.8Confident86.2Confident100 Ų10060.5 Ų60.544%0.43935%0.345SS..Hα-helixtrans-68.1-37172.2-89.2-87.7000111.6L170 L174 V236 Q238 L242L170-F240 HydrophobicContact CD1-CB 3.79Å; L170-F240 HydrophobicContact CD1-CD1 4.07Å; L170-F240 HydrophobicContact CD1-CD2 4.33Å; L170-F240 HydrophobicContact CD1-CG 3.81Å; L170-F240 HydrophobicContact CD2-CB 4.19Å; L170-F240 HydrophobicContact CD2-CD2 3.82Å; L170-F240 HydrophobicContact CD2-CE2 4.45Å; L170-F240 HydrophobicContact CD2-CG 4.09Å; L174-F240 HydrophobicContact CD1-CE1 3.9Å; L174-F240 HydrophobicContact CD1-CZ 3.87Å; L174-F240 HydrophobicContact CD2-CD1 4.2Å; L174-F240 HydrophobicContact CD2-CE1 3.69Å; L174-F240 HydrophobicContact CD2-CZ 4.43Å; L174-F240 HydrophobicContact CG-CE1 4.4Å; V236-F240 HydrophobicContact CG1-CD2 4.29Å; V236-F240 HydrophobicContact CG1-CE2 4.33Å; V236-F240 WeakPolarHBondContact O-CD2 3.32Å; V236-F240 PolarHBondContact O-N 2.87Å; Q238-F240 VanDerWaalsContact C-N 3.3Å; Q238-F240 PolarHBondContact O-N 2.6Å; F240-L242 HydrophobicContact CB-CD1 4.46Å; F240-L242 HydrophobicContact CB-CG 4.21Å; F240-L242 HydrophobicContact CD1-CD1 3.92Å; F240-L242 HydrophobicContact CD1-CG 4.46Å; F240-L242 WeakPolarHBondContact O-CG 3.5Å; F240-L242 PolarHBondContact O-N 2.83Å
241G81.7Confident85.4Confident63 Ų6366.8 Ų66.865%0.64937%0.372SS*.  trans6019.517800000114.3V237 Q238 D239V237-G241 PolarHBondContact O-N 3.34Å; Q238-G241 WeakPolarHBondContact O-CA 3.15Å; Q238-G241 PolarHBondContact O-N 3Å; D239-G241 VanDerWaalsContact C-N 3.35Å
242L80.7Confident84.1Confident84 Ų8466.2 Ų66.244%0.4438%0.376SS..  trans-92.7-24.4-174-63.9-178.8000113.3L170 M173 L174 F240 S244L170-L242 HydrophobicContact CD1-CB 4.44Å; L170-L242 HydrophobicContact CD1-CD1 4.22Å; M173-L242 HydrophobicContact CE-CB 3.66Å; M173-L242 HydrophobicContact CE-CD1 4.5Å; M173-L242 WeakPolarHBondContact CE-O 3.46Å; M173-L242 HydrophobicContact SD-CB 4.44Å; L174-L242 HydrophobicContact CD2-CD1 4.4Å; F240-L242 HydrophobicContact CB-CD1 4.46Å; F240-L242 HydrophobicContact CB-CG 4.21Å; F240-L242 HydrophobicContact CD1-CD1 3.92Å; F240-L242 HydrophobicContact CD1-CG 4.46Å; F240-L242 WeakPolarHBondContact O-CG 3.5Å; F240-L242 PolarHBondContact O-N 2.83Å; L242-S244 PolarHBondContact O-N 3.25Å
243V85.3Confident82.2Confident13 Ų1376.4 Ų76.48%0.07941%0.408CS..  trans-89.1110.1-169.8-174.30000109.8L166 T169 L170 M173 L208 V237 F245L166-V243 HydrophobicContact CD2-CB 4.44Å; L166-V243 HydrophobicContact CD2-CG1 3.68Å; T169-V243 HydrophobicContact CG2-CG1 3.9Å; T169-V243 HydrophobicContact CG2-CG2 4.33Å; L170-V243 HydrophobicContact CB-CG2 3.91Å; L170-V243 HydrophobicContact CD1-CG2 4.36Å; M173-V243 HydrophobicContact SD-CG2 4.12Å; L208-V243 HydrophobicContact CD1-CB 4.17Å; L208-V243 HydrophobicContact CD1-CG1 4.24Å; L208-V243 WeakPolarHBondContact CD1-O 3.48Å; V237-V243 HydrophobicContact CG1-CG2 4.46Å; V243-F245 HydrophobicContact CG1-CD2 4.38Å; V243-F245 HydrophobicContact CG1-CE2 3.65Å; V243-F245 HydrophobicContact CG1-CZ 3.89Å
244S85.4Confident81.8Confident71 Ų7177.3 Ų77.350%0.49741%0.413SS..  trans-129.6149.6165.861.80000109.3N182 L242N182-S244 WeakPolarHBondContact CB-O 3.41Å; N182-S244 PolarHBondContact ND2-O 3.17Å; N182-S244 VanDerWaalsContact ND2-O 3.1Å; L242-S244 PolarHBondContact O-N 3.25Å
245F88.4Confident81.5Confident4 Ų481.3 Ų81.32%0.01843%0.434CS..EExtended strand (participates in β ladder)trans-115.4144.2177.9-66.3-85.1000112.7V151 F162 V165 L166 T169 N182 L184 T205 V243V151-F245 HydrophobicContact CB-CE1 4.42Å; V151-F245 HydrophobicContact CG2-CE1 4.14Å; F162-F245 HydrophobicContact CE2-CE2 4.16Å; F162-F245 HydrophobicContact CZ-CE2 4.25Å; V165-F245 HydrophobicContact CG1-CZ 4.04Å; L166-F245 HydrophobicContact CD2-CE2 3.66Å; L166-F245 HydrophobicContact CD2-CZ 4.26Å; T169-F245 HydrophobicContact CG2-CZ 4.39Å; N182-F245 HydrophobicContact CB-CD1 3.49Å; N182-F245 VanDerWaalsContact CB-CD1 3.49Å; N182-F245 HydrophobicContact CB-CE1 3.62Å; N182-F245 HydrophobicContact CB-CG 4.28Å; N182-F245 HydrophobicContact CB-CZ 4.49Å; N182-F245 CarbonylContact O-C 3.52Å; N182-F245 WeakPolarHBondContact O-CA 3.4Å; L184-F245 HydrophobicContact CD1-CB 3.9Å; L184-F245 HydrophobicContact CD1-CG 4.24Å; L184-F245 HydrophobicContact CD2-CD1 3.98Å; L184-F245 HydrophobicContact CD2-CE1 4.35Å; L184-F245 HydrophobicContact CD2-CG 4.22Å; L184-F245 HydrophobicContact CG-CB 3.74Å; L184-F245 HydrophobicContact CG-CD1 3.9Å; L184-F245 HydrophobicContact CG-CG 3.86Å; T205-F245 WeakPolarHBondContact CA-O 3.31Å; V243-F245 HydrophobicContact CG1-CD2 4.38Å; V243-F245 HydrophobicContact CG1-CE2 3.65Å; V243-F245 HydrophobicContact CG1-CZ 3.89Å
246Q88.2Confident81.2Confident120 Ų12081.7 Ų81.756%0.56144%0.439SS*.EExtended strand (participates in β ladder)trans-103129.1166.9-65.1-171.4-9.600110N182 V183 L184N182-Q246 PolarHBondContact O-N 3.43Å; V183-Q246 CarbonylContact C-O 3.51Å; V183-Q246 WeakPolarHBondContact CA-O 3.42Å; L184-Q246 PolarHBondContact N-O 3.17Å
247P87.9Confident80.7Confident63 Ų6382.6 Ų82.641%0.40944%0.442SS..EExtended strand (participates in β ladder)trans-71.9137.6176.430.8-33.3000110.3F187 T205F187-P247 HydrophobicContact CB-CB 4.34Å; F187-P247 HydrophobicContact CD1-CB 3.76Å; F187-P247 HydrophobicContact CD2-CB 3.4Å; F187-P247 VanDerWaalsContact CD2-CB 3.4Å; F187-P247 HydrophobicContact CE1-CB 3.83Å; F187-P247 HydrophobicContact CE2-CB 3.46Å; F187-P247 VanDerWaalsContact CE2-CB 3.46Å; F187-P247 HydrophobicContact CG-CB 3.55Å; F187-P247 HydrophobicContact CZ-CB 3.69Å; T205-P247 HydrophobicContact CG2-CG 4.18Å
248L87.6Confident80.2Confident60 Ų6087.6 Ų87.631%0.31447%0.468SS..  trans-145.5127.5177.1-172.470.8000112.3Y26 V183 L184 S185 K186 F187 A250Y26-L248 HydrophobicContact CD2-CD2 3.43Å; Y26-L248 VanDerWaalsContact CD2-CD2 3.43Å; Y26-L248 HydrophobicContact CE2-CD2 3.61Å; V183-L248 HydrophobicContact CG1-CB 3.45Å; V183-L248 VanDerWaalsContact CG1-CB 3.45Å; V183-L248 HydrophobicContact CG1-CD2 3.79Å; V183-L248 HydrophobicContact CG1-CG 4.28Å; L184-L248 PolarHBondContact O-N 2.92Å; S185-L248 CarbonylContact C-O 3.29Å; S185-L248 WeakPolarHBondContact CA-O 3.43Å; K186-L248 PolarHBondContact N-O 2.81Å; F187-L248 PolarHBondContact N-O 3.31Å; L248-A250 HydrophobicContact CD2-CB 4.33Å; L248-A250 HydrophobicContact CG-CB 4.45Å
249A82.6Confident79.8Confident49 Ų4988.7 Ų88.741%0.40548%0.477SS..  trans-110.289.5165.800000108.9D188 Q251D188-A249 HydrophobicContact CB-CB 3.91Å; D188-A249 WeakPolarHBondContact OD1-CB 3.5Å; A249-Q251 PolarHBondContact O-N 3.09Å
250A77.4Confident79.3Confident37 Ų3785.2 Ų85.231%0.30646%0.459SS..  trans-80.3119.8176.600000110A29 L248A29-A250 HydrophobicContact CB-CB 4.3Å; L248-A250 HydrophobicContact CD2-CB 4.33Å; L248-A250 HydrophobicContact CG-CB 4.45Å
251Q70Confident79Confident153 Ų15384.1 Ų84.172%0.71546%0.46SS*.  trans-107.7124.3170.8-65.7-179.2-9.500108.9A249A249-Q251 PolarHBondContact O-N 3.09Å
252V61Low78.8Confident75 Ų7585.8 Ų85.846%0.45544%0.444SS..  trans-84.1117.9164.8-1770000105.6T25 K28 A29T25-V252 HydrophobicContact CG2-CG2 3.7Å; K28-V252 HydrophobicContact CB-CG2 4.36Å; A29-V252 HydrophobicContact CB-CG2 4.39Å
253R50.7Low78.6Confident301 Ų30186 Ų86100%1.13645%0.445SS*.  trans-70.30176.9-76.4-174.7176171.60.5111.6

Retrieved 253 of 253 residues in 55.4 ms (Link to these results)

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