A0A077ZLW9_TRITR Loading...

Podospora anserina S mat+ genomic DNA chromosome 3, supercontig 2

AlphaFold DB , UniProt , Accession A0A077ZLW9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 260 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
1M29Very low27.2Very low247 Ų247133.1 Ų133.1100%1.21774%0.743SS**  0131.10-79.5175.4178.700108.3
2C23.5Very low28.6Very low100 Ų100130.6 Ų130.668%0.67672%0.721SS**  trans54.2100.9-178-135.20000119.5L4C2-L4 PolarHBondContact O-N 2.8Å; C2-L4 VanDerWaalsContact O-N 3.08Å
3A21.6Very low29Very low110 Ų110122.1 Ų122.191%0.90968%0.678SS**THydrogen-bonded Turntrans-79.641.3175.400000113.9
4L24.4Very low29.6Very low124 Ų124113.6 Ų113.665%0.64963%0.631SS**THydrogen-bonded Turntrans-131.813.5-170.6-82.9164.3000115.3C2 S6C2-L4 PolarHBondContact O-N 2.8Å; C2-L4 VanDerWaalsContact O-N 3.08Å; L4-S6 PolarHBondContact O-N 3.25Å
5C24.3Very low30.1Very low131 Ų131110.4 Ų110.489%0.88562%0.616SS**  trans-92.170.6174.9-63.40000111.3
6S23.6Very low30.6Very low94 Ų94104.1 Ų104.166%0.65758%0.581SS**SBendtrans-118130.7157.8-176.90000107.3L4 R8L4-S6 PolarHBondContact O-N 3.25Å; S6-R8 PolarHBondContact O-N 3.43Å
7P26.1Very low31.4Very low119 Ų11998.6 Ų98.677%0.77355%0.552SS**  trans-63103.5-178.525.1-30.4000108.8E9P7-E9 PolarHBondContact O-N 3.34Å
8R27.5Very low32Very low229 Ų22993.8 Ų93.886%0.86453%0.525SS*.  trans-65.1115.7173.2-77.4-176.7174.7-179.4-2.1108.3S6S6-R8 PolarHBondContact O-N 3.43Å
9E32.1Very low32.5Very low125 Ų12589.2 Ų89.258%0.58450%0.499SS*.  trans-52.6141178.5-61.2160131.600112.3P7 K11P7-E9 PolarHBondContact O-N 3.34Å; E9-K11 HydrophobicContact CB-CD 4.23Å; E9-K11 HydrophobicContact CB-CG 3.88Å; E9-K11 PolarHBondContact O-N 3.1Å; E9-K11 IonicContact OE1-NZ 3.77Å; E9-K11 WeakPolarHBondContact OE2-CD 3.46Å; E9-K11 WeakPolarHBondContact OE2-CE 2.89Å; E9-K11 IonicContact OE2-NZ 2.65Å; E9-K11 PolarHBondContact OE2-NZ 3.03Å
10P31.2Very low33Very low72 Ų7284.9 Ų84.947%0.46848%0.475SS..  trans-80.386.6173.231.9-29.5000109.6I152P10-I152 HydrophobicContact CB-CB 4.44Å; P10-I152 HydrophobicContact CB-CG1 4.38Å; P10-I152 HydrophobicContact CB-CG2 3.44Å; P10-I152 VanDerWaalsContact CB-CG2 3.44Å; P10-I152 HydrophobicContact CG-CG2 3.61Å
11K36.1Very low33.5Very low113 Ų11382.9 Ų82.949%0.49146%0.46SS..  trans-89.5-13.9-160.8-100.9178.9162.1160.20119.6E9E9-K11 HydrophobicContact CB-CD 4.23Å; E9-K11 HydrophobicContact CB-CG 3.88Å; E9-K11 PolarHBondContact O-N 3.1Å; E9-K11 IonicContact OE1-NZ 3.77Å; E9-K11 WeakPolarHBondContact OE2-CD 3.46Å; E9-K11 WeakPolarHBondContact OE2-CE 2.89Å; E9-K11 IonicContact OE2-NZ 2.65Å; E9-K11 PolarHBondContact OE2-NZ 3.03Å
12H43.8Very low34Very low103 Ų10373.3 Ų73.348%0.47742%0.421SS..SBendtrans-138.716.3-158.1-67.1-65.2000119.9L48 D52H12-L48 HydrophobicContact CB-CD1 3.87Å; H12-D52 IonicContact ND1-OD2 2.63Å
13A34Very low34.8Very low20 Ų2069.7 Ų69.717%0.16540%0.398CS..SBendtrans-133.8-41.4174.400000114.1A17 L48A13-A17 PolarHBondContact O-N 3.41Å; A13-L48 HydrophobicContact CB-CD2 4.26Å
14A36.9Very low35.8Very low3 Ų365.9 Ų65.93%0.02536%0.362CS..Hα-helixtrans-74.3-51.1176.900000111.5F16 A17 L18 L73 I152 F155A14-F16 PolarHBondContact O-N 2.94Å; A14-A17 PolarHBondContact O-N 3.35Å; A14-L18 WeakPolarHBondContact O-CB 3.23Å; A14-L18 WeakPolarHBondContact O-CD1 3.43Å; A14-L18 VanDerWaalsContact O-CG 3.26Å; A14-L18 WeakPolarHBondContact O-CG 3.29Å; A14-L18 PolarHBondContact O-N 3.39Å; A14-L18 VanDerWaalsContact O-N 3.16Å; A14-L73 HydrophobicContact CB-CD2 4.2Å; A14-I152 HydrophobicContact CB-CD1 4.02Å; A14-F155 HydrophobicContact CB-CD1 3.97Å; A14-F155 HydrophobicContact CB-CD2 4.12Å; A14-F155 HydrophobicContact CB-CE1 3.84Å; A14-F155 HydrophobicContact CB-CE2 3.98Å; A14-F155 HydrophobicContact CB-CG 4.09Å; A14-F155 HydrophobicContact CB-CZ 3.84Å
15T38.2Very low36.8Very low66 Ų6665.2 Ų65.241%0.40536%0.356SS..Hα-helixtrans-49-33171.1-44.40000111.8S19T15-S19 WeakPolarHBondContact O-CB 3.45Å; T15-S19 PolarHBondContact O-N 2.87Å; T15-S19 PolarHBondContact O-OG 3.4Å
16F37.4Very low37.8Very low10 Ų1065.6 Ų65.64%0.04434%0.342CS..Hα-helixtrans-84.7-49.8-173.3172.9-97.5000114.1A14 L18 S19 V20 M51 D52 F55A14-F16 PolarHBondContact O-N 2.94Å; F16-L18 PolarHBondContact O-N 3.32Å; F16-S19 WeakPolarHBondContact CA-OG 3.48Å; F16-S19 PolarHBondContact O-N 3.08Å; F16-S19 PolarHBondContact O-OG 3.27Å; F16-V20 WeakPolarHBondContact O-CG2 3.35Å; F16-M51 HydrophobicContact CD1-CB 4.3Å; F16-M51 HydrophobicContact CD1-CE 3.32Å; F16-M51 HydrophobicContact CD1-CG 4.2Å; F16-M51 HydrophobicContact CD1-SD 4Å; F16-M51 HydrophobicContact CE1-CB 3.57Å; F16-M51 HydrophobicContact CE1-CE 3.45Å; F16-M51 VanDerWaalsContact CE1-CE 3.45Å; F16-M51 HydrophobicContact CE1-CG 3.29Å; F16-M51 HydrophobicContact CE1-SD 3.53Å; F16-M51 VanDerWaalsContact CE1-SD 3.53Å; F16-M51 WeakPolarHBondContact CE2-O 3.45Å; F16-M51 HydrophobicContact CG-CE 4.35Å; F16-M51 HydrophobicContact CZ-CB 3.73Å; F16-M51 HydrophobicContact CZ-CG 3.78Å; F16-M51 WeakPolarHBondContact CZ-O 3.22Å; F16-D52 WeakPolarHBondContact CB-OD1 3.31Å; F16-D52 HydrophobicContact CD2-CB 4.19Å; F16-D52 WeakPolarHBondContact CD2-OD1 3.42Å; F16-D52 HydrophobicContact CE2-CB 4.18Å; F16-D52 WeakPolarHBondContact CE2-OD1 3.22Å; F16-D52 WeakPolarHBondContact CG-OD1 3.23Å; F16-F55 HydrophobicContact CE1-CB 4.33Å; F16-F55 AromaticContact CE1-CD2 3.49Å; F16-F55 HydrophobicContact CE1-CD2 3.49Å; F16-F55 VanDerWaalsContact CE1-CD2 3.49Å; F16-F55 AromaticContact CE1-CE2 3.93Å; F16-F55 HydrophobicContact CE1-CE2 3.93Å; F16-F55 HydrophobicContact CE1-CG 4.15Å; F16-F55 HydrophobicContact CE2-CB 3.31Å; F16-F55 HydrophobicContact CE2-CD2 4.08Å; F16-F55 HydrophobicContact CE2-CG 4.05Å; F16-F55 HydrophobicContact CZ-CB 3.26Å; F16-F55 AromaticContact CZ-CD2 3.07Å; F16-F55 HydrophobicContact CZ-CD2 3.07Å; F16-F55 AromaticContact CZ-CE2 3.97Å; F16-F55 HydrophobicContact CZ-CE2 3.97Å; F16-F55 AromaticContact CZ-CG 3.47Å; F16-F55 HydrophobicContact CZ-CG 3.47Å; F16-F55 VanDerWaalsContact CZ-CG 3.47Å
17A43.9Very low38.8Very low11 Ų1167.6 Ų67.69%0.09134%0.339CS..Hα-helixtrans-59.5-21.6171.700000112A13 A14 Y21 L73 V145A13-A17 PolarHBondContact O-N 3.41Å; A14-A17 PolarHBondContact O-N 3.35Å; A17-Y21 VanDerWaalsContact O-CD2 3.26Å; A17-Y21 WeakPolarHBondContact O-CD2 3.49Å; A17-L73 HydrophobicContact CB-CD1 3.68Å; A17-V145 HydrophobicContact CB-CG1 4.1Å
18L42.3Very low40Very low12 Ų1264.7 Ų64.76%0.06332%0.317CS..Hα-helixtrans-89.4-26.9-180-80.2152.4000115.4A14 F16 V20 I69 N72 L73 F155A14-L18 WeakPolarHBondContact O-CB 3.23Å; A14-L18 WeakPolarHBondContact O-CD1 3.43Å; A14-L18 VanDerWaalsContact O-CG 3.26Å; A14-L18 WeakPolarHBondContact O-CG 3.29Å; A14-L18 PolarHBondContact O-N 3.39Å; A14-L18 VanDerWaalsContact O-N 3.16Å; F16-L18 PolarHBondContact O-N 3.32Å; L18-V20 VanDerWaalsContact C-N 3.31Å; L18-I69 HydrophobicContact CB-CG2 4Å; L18-I69 HydrophobicContact CD1-CB 4.32Å; L18-I69 HydrophobicContact CD1-CG2 3.14Å; L18-I69 WeakPolarHBondContact CD1-O 3.33Å; L18-I69 HydrophobicContact CD2-CG2 4.06Å; L18-I69 WeakPolarHBondContact CD2-O 3.2Å; L18-I69 HydrophobicContact CG-CG2 3.88Å; L18-N72 HydrophobicContact CD2-CB 3.83Å; L18-L73 HydrophobicContact CD1-CB 3.65Å; L18-L73 HydrophobicContact CD1-CD1 4.3Å; L18-L73 HydrophobicContact CD1-CD2 4.12Å; L18-L73 HydrophobicContact CD1-CG 4.22Å; L18-L73 HydrophobicContact CD2-CB 3.86Å; L18-L73 HydrophobicContact CG-CB 3.84Å; L18-L73 HydrophobicContact CG-CD1 4.17Å; L18-L73 HydrophobicContact CG-CG 4.47Å; L18-F155 HydrophobicContact CD1-CE1 3.69Å; L18-F155 HydrophobicContact CD1-CZ 4.29Å
19S41.3Very low41Very low5 Ų555.7 Ų55.74%0.03528%0.283CS..Hα-helixtrans-66.6-42.1176.966.70000108.6T15 F16 Y21 I59 L61T15-S19 WeakPolarHBondContact O-CB 3.45Å; T15-S19 PolarHBondContact O-N 2.87Å; T15-S19 PolarHBondContact O-OG 3.4Å; F16-S19 WeakPolarHBondContact CA-OG 3.48Å; F16-S19 PolarHBondContact O-N 3.08Å; F16-S19 PolarHBondContact O-OG 3.27Å; S19-Y21 VanDerWaalsContact C-N 3.3Å; S19-Y21 PolarHBondContact O-N 3.44Å; S19-Y21 VanDerWaalsContact O-N 3.1Å; S19-I59 VanDerWaalsContact C-CG2 3.45Å; S19-I59 WeakPolarHBondContact O-CB 3.04Å; S19-I59 WeakPolarHBondContact O-CG1 3.28Å; S19-I59 WeakPolarHBondContact O-CG2 3.39Å; S19-I59 WeakPolarHBondContact OG-CD1 3.4Å; S19-L61 VanDerWaalsContact CB-CD2 3.41Å
20V43.3Very low41.6Very low4 Ų454.7 Ų54.72%0.02428%0.281CS..THydrogen-bonded Turntrans-48.6-37.1179.9176.60000116.6F16 L18 F55 I59F16-V20 WeakPolarHBondContact O-CG2 3.35Å; L18-V20 VanDerWaalsContact C-N 3.31Å; V20-F55 HydrophobicContact CB-CD1 3.79Å; V20-F55 HydrophobicContact CB-CE1 4.1Å; V20-F55 HydrophobicContact CB-CG 4.43Å; V20-F55 HydrophobicContact CG1-CD1 3.34Å; V20-F55 HydrophobicContact CG1-CE1 3.35Å; V20-F55 HydrophobicContact CG1-CG 4.41Å; V20-F55 HydrophobicContact CG1-CZ 4.42Å; V20-F55 HydrophobicContact CG2-CB 3.43Å; V20-F55 VanDerWaalsContact CG2-CB 3.43Å; V20-F55 HydrophobicContact CG2-CD1 2.98Å; V20-F55 HydrophobicContact CG2-CD2 4.08Å; V20-F55 HydrophobicContact CG2-CE1 3.54Å; V20-F55 HydrophobicContact CG2-CE2 4.48Å; V20-F55 HydrophobicContact CG2-CG 3.21Å; V20-F55 HydrophobicContact CG2-CZ 4.22Å; V20-I59 HydrophobicContact CG2-CD1 4.44Å
21Y44.1Very low42.4Very low43 Ų4358.4 Ų58.417%0.16929%0.29CS..THydrogen-bonded Turntrans-102.4-21.8-162.3-76.5-64.8000115.1A17 S19 A23 F76 L120 C124 L128A17-Y21 VanDerWaalsContact O-CD2 3.26Å; A17-Y21 WeakPolarHBondContact O-CD2 3.49Å; S19-Y21 VanDerWaalsContact C-N 3.3Å; S19-Y21 PolarHBondContact O-N 3.44Å; S19-Y21 VanDerWaalsContact O-N 3.1Å; Y21-A23 PolarHBondContact O-N 3.37Å; Y21-F76 HydrophobicContact CD2-CD2 4Å; Y21-F76 HydrophobicContact CD2-CG 4.31Å; Y21-F76 HydrophobicContact CE1-CD2 4.38Å; Y21-F76 HydrophobicContact CE2-CB 4.46Å; Y21-F76 HydrophobicContact CE2-CD1 4.47Å; Y21-F76 AromaticContact CE2-CD2 3.21Å; Y21-F76 HydrophobicContact CE2-CD2 3.21Å; Y21-F76 AromaticContact CE2-CE2 3.46Å; Y21-F76 HydrophobicContact CE2-CE2 3.46Å; Y21-F76 VanDerWaalsContact CE2-CE2 3.46Å; Y21-F76 AromaticContact CE2-CG 3.81Å; Y21-F76 HydrophobicContact CE2-CG 3.81Å; Y21-F76 HydrophobicContact CE2-CZ 4.17Å; Y21-F76 AromaticContact CZ-CD2 3.45Å; Y21-F76 VanDerWaalsContact CZ-CD2 3.45Å; Y21-F76 AromaticContact CZ-CE2 3.44Å; Y21-F76 VanDerWaalsContact CZ-CE2 3.44Å; Y21-F76 WeakPolarHBondContact OH-CE2 3.4Å; Y21-L120 HydrophobicContact CD1-CD1 4.07Å; Y21-L120 HydrophobicContact CG-CD1 4.32Å; Y21-C124 VanDerWaalsContact CD1-SG 3.54Å; Y21-L128 HydrophobicContact CD1-CD1 4.02Å; Y21-L128 HydrophobicContact CE1-CD1 3.42Å; Y21-L128 VanDerWaalsContact CE1-CD1 3.42Å; Y21-L128 HydrophobicContact CE1-CD2 3.57Å; Y21-L128 HydrophobicContact CE1-CG 3.91Å; Y21-L128 WeakPolarHBondContact OH-CD2 3.32Å
22A38.9Very low42.9Very low46 Ų4657 Ų5738%0.3828%0.282SS..SBendtrans-74.79.1-169.700000114.8L64A22-L64 HydrophobicContact CB-CD1 3.62Å; A22-L64 HydrophobicContact CB-CG 4.42Å
23A39.8Very low42.9Very low24 Ų2457 Ų5720%0.19828%0.284CS..  trans-152.3-20.9-133.700000118.3Y21 E25 F58 I59 P60Y21-A23 PolarHBondContact O-N 3.37Å; A23-E25 PolarHBondContact O-N 2.89Å; A23-F58 WeakPolarHBondContact CB-O 3.42Å; A23-I59 HydrophobicContact CB-CB 4.44Å; A23-I59 HydrophobicContact CB-CG2 4.43Å; A23-P60 VanDerWaalsContact CA-CD 3.47Å; A23-P60 HydrophobicContact CB-CG 4.4Å
24I43.7Very low43.4Very low30 Ų3065.1 Ų65.115%0.15432%0.315CS..  trans-83.9117.2-175.4-59.3166.8000108.8D28 W29 F58I24-D28 HydrophobicContact CG2-CB 4.08Å; I24-W29 HydrophobicContact CB-CZ2 4.4Å; I24-W29 HydrophobicContact CD1-CH2 4Å; I24-W29 HydrophobicContact CD1-CZ2 3.4Å; I24-W29 VanDerWaalsContact CD1-CZ2 3.4Å; I24-W29 HydrophobicContact CG1-CZ2 4.49Å; I24-W29 HydrophobicContact CG2-CD2 4.21Å; I24-W29 HydrophobicContact CG2-CG 4.09Å; I24-W29 HydrophobicContact CG2-CZ2 4.46Å; I24-W29 VanDerWaalsContact CG2-NE1 3.3Å; I24-F58 HydrophobicContact CD1-CB 4.02Å; I24-F58 HydrophobicContact CD1-CD1 3.64Å; I24-F58 HydrophobicContact CD1-CG 4.27Å; I24-F58 HydrophobicContact CG1-CB 3.95Å; I24-F58 HydrophobicContact CG1-CD1 4Å; I24-F58 WeakPolarHBondContact CG1-O 3.32Å
25E44.4Very low43.7Very low110 Ų11070.1 Ų70.151%0.51435%0.345SS..  trans-61.6141.7174.6-71.5-169.2179.800111.3A23 K27 D28A23-E25 PolarHBondContact O-N 2.89Å; E25-K27 HydrophobicContact CB-CG 4.37Å; E25-K27 PolarHBondContact O-N 3.12Å; E25-K27 WeakPolarHBondContact OE2-CE 3.16Å; E25-K27 IonicContact OE2-NZ 3.43Å; E25-K27 PolarHBondContact OE2-NZ 3.27Å; E25-D28 PolarHBondContact O-N 2.8Å
26K45.4Very low43.6Very low138 Ų13869.6 Ų69.660%0.634%0.344SS*.Hα-helixtrans-47.8-36.5-176.8-173.2177.6-179.5179.40114.3D28K26-D28 VanDerWaalsContact C-N 3.32Å; K26-D28 PolarHBondContact O-N 3.44Å
27K44.8Very low43.5Very low137 Ų13776.3 Ų76.360%0.59638%0.38SS*.Hα-helixtrans-70.6-24.5-177.871.3-165.5-169.3-1530113.8E25E25-K27 HydrophobicContact CB-CG 4.37Å; E25-K27 PolarHBondContact O-N 3.12Å; E25-K27 WeakPolarHBondContact OE2-CE 3.16Å; E25-K27 IonicContact OE2-NZ 3.43Å; E25-K27 PolarHBondContact OE2-NZ 3.27Å
28D51.6Low43.4Very low58 Ų5881.9 Ų81.931%0.3140%0.399SS..Hα-helixtrans-82.4-27.8-177.4-68.4-40.4000112I24 E25 K26 R32I24-D28 HydrophobicContact CG2-CB 4.08Å; E25-D28 PolarHBondContact O-N 2.8Å; K26-D28 VanDerWaalsContact C-N 3.32Å; K26-D28 PolarHBondContact O-N 3.44Å; D28-R32 WeakPolarHBondContact O-CB 3.34Å; D28-R32 WeakPolarHBondContact O-CG 3.43Å; D28-R32 PolarHBondContact O-N 3.35Å
29W47.3Very low42.9Very low40 Ų4088.2 Ų88.215%0.15243%0.428CS..Hα-helixtrans-62.1-49.6172.3-79.3110.8000111.8I24 K31 R32 M33 C124 V127I24-W29 HydrophobicContact CB-CZ2 4.4Å; I24-W29 HydrophobicContact CD1-CH2 4Å; I24-W29 HydrophobicContact CD1-CZ2 3.4Å; I24-W29 VanDerWaalsContact CD1-CZ2 3.4Å; I24-W29 HydrophobicContact CG1-CZ2 4.49Å; I24-W29 HydrophobicContact CG2-CD2 4.21Å; I24-W29 HydrophobicContact CG2-CG 4.09Å; I24-W29 HydrophobicContact CG2-CZ2 4.46Å; I24-W29 VanDerWaalsContact CG2-NE1 3.3Å; W29-K31 VanDerWaalsContact C-N 3.3Å; W29-K31 PolarHBondContact O-N 3.06Å; W29-R32 PolarHBondContact O-N 2.91Å; W29-M33 VanDerWaalsContact O-CB 3.29Å; W29-M33 WeakPolarHBondContact O-CB 3.48Å; W29-M33 WeakPolarHBondContact O-CG 3.47Å; W29-M33 PolarHBondContact O-N 3.23Å; W29-C124 HydrophobicContact CZ2-CB 4.38Å; W29-C124 VanDerWaalsContact CZ2-SG 3.56Å; W29-V127 HydrophobicContact CD2-CG2 4.5Å; W29-V127 HydrophobicContact CE3-CB 4.27Å; W29-V127 HydrophobicContact CE3-CG1 3.96Å; W29-V127 HydrophobicContact CE3-CG2 3.97Å; W29-V127 HydrophobicContact CH2-CG1 4.16Å; W29-V127 HydrophobicContact CZ3-CB 4.07Å; W29-V127 HydrophobicContact CZ3-CG1 3.47Å; W29-V127 VanDerWaalsContact CZ3-CG1 3.47Å; W29-V127 HydrophobicContact CZ3-CG2 4.27Å
30D44.6Very low42.7Very low103 Ų10390.7 Ų90.755%0.55144%0.443SS*.Hα-helixtrans-63.5-34.3-178.1-74.6-20.3000113.1
31K48.4Very low42.1Very low151 Ų15194.3 Ų94.366%0.65747%0.465SS*.Hα-helixtrans-69.4-47.4174.7-174.9-179.5177.1-1740111.1W29 M33 K34 T35W29-K31 VanDerWaalsContact C-N 3.3Å; W29-K31 PolarHBondContact O-N 3.06Å; K31-M33 VanDerWaalsContact C-N 3.29Å; K31-M33 PolarHBondContact O-N 3.01Å; K31-K34 PolarHBondContact O-N 3.09Å; K31-T35 PolarHBondContact O-OG1 3.39Å
32R47.6Very low41.7Very low84 Ų8497.3 Ų97.332%0.31749%0.488SS..Hα-helixtrans-67.5-30.7-179.3-69175.4-173.5-104.914.1111.8D28 W29 K34 T35 C36D28-R32 WeakPolarHBondContact O-CB 3.34Å; D28-R32 WeakPolarHBondContact O-CG 3.43Å; D28-R32 PolarHBondContact O-N 3.35Å; W29-R32 PolarHBondContact O-N 2.91Å; R32-K34 VanDerWaalsContact C-N 3.28Å; R32-K34 PolarHBondContact O-N 3.09Å; R32-T35 PolarHBondContact O-N 3.39Å; R32-T35 PolarHBondContact O-OG1 3.02Å; R32-T35 VanDerWaalsContact O-OG1 3.08Å; R32-C36 PolarHBondContact O-N 3.48Å; R32-C36 VanDerWaalsContact O-N 3.12Å; R32-C36 PolarHBondContact O-SG 2.82Å
33M43.8Very low41.8Very low103 Ų103103.7 Ų103.751%0.50750%0.502SS..Hα-helixtrans-63-26.7174-74.4-88.5-81.600114.1W29 K31 V127W29-M33 VanDerWaalsContact O-CB 3.29Å; W29-M33 WeakPolarHBondContact O-CB 3.48Å; W29-M33 WeakPolarHBondContact O-CG 3.47Å; W29-M33 PolarHBondContact O-N 3.23Å; K31-M33 VanDerWaalsContact C-N 3.29Å; K31-M33 PolarHBondContact O-N 3.01Å; M33-V127 HydrophobicContact CE-CG2 4.43Å; M33-V127 HydrophobicContact SD-CG2 3.91Å
34K43.7Very low41.9Very low190 Ų190108.9 Ų108.983%0.82653%0.527SS*.THydrogen-bonded Turntrans-85.2-15.2176.6-71.3-178.5-179.8178.20113.6K31 R32K31-K34 PolarHBondContact O-N 3.09Å; R32-K34 VanDerWaalsContact C-N 3.28Å; R32-K34 PolarHBondContact O-N 3.09Å
35T42.7Very low42.1Very low107 Ų107111.2 Ų111.266%0.65654%0.536SS*.THydrogen-bonded Turntrans-110.9-9.8-174.551.10000113.8K31 R32 D37K31-T35 PolarHBondContact O-OG1 3.39Å; R32-T35 PolarHBondContact O-N 3.39Å; R32-T35 PolarHBondContact O-OG1 3.02Å; R32-T35 VanDerWaalsContact O-OG1 3.08Å; T35-D37 PolarHBondContact O-N 3.09Å
36C37.2Very low42.1Very low56 Ų56114.4 Ų114.438%0.37855%0.548SS..  trans-89.288176.8-74.30000111R32 W38R32-C36 PolarHBondContact O-N 3.48Å; R32-C36 VanDerWaalsContact O-N 3.12Å; R32-C36 PolarHBondContact O-SG 2.82Å; C36-W38 VanDerWaalsContact C-N 3.25Å; C36-W38 VanDerWaalsContact CB-CD1 3.5Å; C36-W38 HydrophobicContact CB-CD2 4.22Å; C36-W38 HydrophobicContact CB-CG 4.07Å; C36-W38 HydrophobicContact CB-CZ2 4.46Å; C36-W38 VanDerWaalsContact CB-NE1 3.3Å; C36-W38 VanDerWaalsContact O-CD1 3.29Å; C36-W38 PolarHBondContact O-N 3.28Å; C36-W38 VanDerWaalsContact O-N 3.13Å
37D34.7Very low42.1Very low151 Ų151110.6 Ų110.681%0.80754%0.537SS*.  trans-58.4104.1134.3-112.5-26.6000104.8T35 E39T35-D37 PolarHBondContact O-N 3.09Å; D37-E39 PolarHBondContact O-N 3.41Å
38W42.3Very low42Very low127 Ų127108.2 Ų108.248%0.48153%0.53SS..  trans-74.653.3174.3-67.180.6000109.2C36 V40 V127C36-W38 VanDerWaalsContact C-N 3.25Å; C36-W38 VanDerWaalsContact CB-CD1 3.5Å; C36-W38 HydrophobicContact CB-CD2 4.22Å; C36-W38 HydrophobicContact CB-CG 4.07Å; C36-W38 HydrophobicContact CB-CZ2 4.46Å; C36-W38 VanDerWaalsContact CB-NE1 3.3Å; C36-W38 VanDerWaalsContact O-CD1 3.29Å; C36-W38 PolarHBondContact O-N 3.28Å; C36-W38 VanDerWaalsContact O-N 3.13Å; W38-V40 HydrophobicContact CE3-CG2 3.84Å; W38-V40 PolarHBondContact O-N 3.15Å; W38-V127 HydrophobicContact CZ2-CG1 4.31Å
39E31.9Very low42Very low145 Ų145111.1 Ų111.168%0.67854%0.542SS*.  trans-62.378.1139.8-82-167.3178.200106.1D37 T41D37-E39 PolarHBondContact O-N 3.41Å; E39-T41 HydrophobicContact CB-CG2 3.8Å; E39-T41 HydrophobicContact CG-CG2 4.1Å; E39-T41 PolarHBondContact O-N 2.97Å; E39-T41 WeakPolarHBondContact OE2-CG2 3.41Å
40V36.3Very low42.3Very low57 Ų57112.9 Ų112.935%0.34555%0.552SS.*  trans-67.167.7144-172.60000104.1W38 T42W38-V40 HydrophobicContact CE3-CG2 3.84Å; W38-V40 PolarHBondContact O-N 3.15Å; V40-T42 PolarHBondContact O-N 3.35Å
41T31.6Very low42.3Very low81 Ų81109.4 Ų109.450%0.49753%0.532SS..  trans-60.194.8164.342.60000103.8E39 R43E39-T41 HydrophobicContact CB-CG2 3.8Å; E39-T41 HydrophobicContact CG-CG2 4.1Å; E39-T41 PolarHBondContact O-N 2.97Å; E39-T41 WeakPolarHBondContact OE2-CG2 3.41Å; T41-R43 VanDerWaalsContact C-N 3.27Å; T41-R43 PolarHBondContact O-N 3.44Å
42T35Very low42.2Very low106 Ų106103.9 Ų103.965%0.6551%0.51SS*.  trans21.568.7156.347.30000112.4V40 D44V40-T42 PolarHBondContact O-N 3.35Å; T42-D44 VanDerWaalsContact C-N 3.34Å; T42-D44 PolarHBondContact O-N 2.89Å
43R41.2Very low42.5Very low179 Ų179106.5 Ų106.568%0.67553%0.526SS*.  trans-87.592.6162.6-85.7-167.1-178.3-173.51.2105T41 F45T41-R43 VanDerWaalsContact C-N 3.27Å; T41-R43 PolarHBondContact O-N 3.44Å; R43-F45 PolarHBondContact O-N 3.46Å
44D41.9Very low42.8Very low133 Ų133105.9 Ų105.971%0.71152%0.521SS*.  trans-63.1103.1159.9-75.3-28.3000106.4T42 K46T42-D44 VanDerWaalsContact C-N 3.34Å; T42-D44 PolarHBondContact O-N 2.89Å; D44-K46 PolarHBondContact O-N 2.89Å; D44-K46 VanDerWaalsContact O-N 3.08Å
45F47.2Very low43Very low80 Ų8098.9 Ų98.935%0.35149%0.49SS..  trans-62.6109.4163.3-61.8-75.3000106.7R43 T47 E50 M51 F54R43-F45 PolarHBondContact O-N 3.46Å; F45-T47 VanDerWaalsContact C-N 3.33Å; F45-E50 HydrophobicContact CD1-CB 4.15Å; F45-M51 HydrophobicContact CD1-CB 4.18Å; F45-M51 HydrophobicContact CD1-CG 4.02Å; F45-M51 HydrophobicContact CD2-CG 4.01Å; F45-M51 HydrophobicContact CE1-CG 4.17Å; F45-M51 HydrophobicContact CE2-CG 4.17Å; F45-M51 HydrophobicContact CG-CB 4.34Å; F45-M51 HydrophobicContact CG-CG 3.93Å; F45-M51 HydrophobicContact CZ-CG 4.25Å; F45-F54 HydrophobicContact CE1-CB 4.05Å; F45-F54 HydrophobicContact CE1-CG 4.32Å; F45-F54 HydrophobicContact CZ-CD1 4.22Å; F45-F54 HydrophobicContact CZ-CG 4.42Å
46K43.9Very low43.2Very low176 Ų17699.3 Ų99.377%0.76549%0.488SS*.  trans-78.9-25.5-179.9-65.1-178.4-178.8176.20111.3D44 E50D44-K46 PolarHBondContact O-N 2.89Å; D44-K46 VanDerWaalsContact O-N 3.08Å; K46-E50 PolarHBondContact N-OE2 2.96Å
47T47.1Very low43.5Very low59 Ų59103.9 Ų103.936%0.36250%0.504SS..SBendtrans-135.8160.6178.580.90000111.7F45 E49 E50 M51F45-T47 VanDerWaalsContact C-N 3.33Å; T47-E49 WeakPolarHBondContact CB-OE2 3.44Å; T47-E49 PolarHBondContact O-N 2.92Å; T47-E49 PolarHBondContact OG1-N 3.41Å; T47-E49 PolarHBondContact OG1-OE2 2.97Å; T47-E50 PolarHBondContact O-N 3.15Å; T47-E50 PolarHBondContact OG1-N 3.19Å; T47-M51 PolarHBondContact O-N 2.89Å
48L42.7Very low43.9Very low86 Ų8698.2 Ų98.245%0.4547%0.472SS..Hα-helixtrans-63.9-30.3171-68.5172.4000111H12 A13 M51 D52H12-L48 HydrophobicContact CB-CD1 3.87Å; A13-L48 HydrophobicContact CB-CD2 4.26Å; L48-M51 HydrophobicContact CD2-CE 3.82Å; L48-M51 WeakPolarHBondContact O-CB 3.39Å; L48-M51 PolarHBondContact O-N 2.95Å; L48-D52 WeakPolarHBondContact O-CB 3.17Å; L48-D52 PolarHBondContact O-N 2.99Å
49E51.2Low43.9Very low120 Ų12093.8 Ų93.856%0.56146%0.457SS*.Hα-helixtrans-65.9-39.5176.4-59.2101.3-178.300112.6T47 M51 D52 E53T47-E49 WeakPolarHBondContact CB-OE2 3.44Å; T47-E49 PolarHBondContact O-N 2.92Å; T47-E49 PolarHBondContact OG1-N 3.41Å; T47-E49 PolarHBondContact OG1-OE2 2.97Å; E49-M51 PolarHBondContact O-N 3.44Å; E49-D52 WeakPolarHBondContact O-CA 3.4Å; E49-D52 WeakPolarHBondContact O-CB 3.25Å; E49-D52 PolarHBondContact O-N 3.38Å; E49-D52 VanDerWaalsContact O-N 3.17Å; E49-E53 WeakPolarHBondContact O-CB 3.31Å; E49-E53 WeakPolarHBondContact O-CG 3.46Å; E49-E53 PolarHBondContact O-N 3.01Å
50E52.6Low44.5Very low77 Ų7790.6 Ų90.636%0.3645%0.449SS..Hα-helixtrans-63.9-33.6176.4-71.1179174.400112F45 K46 T47 F54F45-E50 HydrophobicContact CD1-CB 4.15Å; K46-E50 PolarHBondContact N-OE2 2.96Å; T47-E50 PolarHBondContact O-N 3.15Å; T47-E50 PolarHBondContact OG1-N 3.19Å; E50-F54 PolarHBondContact O-N 2.89Å
51M44.4Very low45Very low29 Ų2993 Ų9314%0.14346%0.459CS..Hα-helixtrans-65.1-60.6168.9-132.8-175.41900108.1F16 F45 T47 L48 E49 E53 F54 F55F16-M51 HydrophobicContact CD1-CB 4.3Å; F16-M51 HydrophobicContact CD1-CE 3.32Å; F16-M51 HydrophobicContact CD1-CG 4.2Å; F16-M51 HydrophobicContact CD1-SD 4Å; F16-M51 HydrophobicContact CE1-CB 3.57Å; F16-M51 HydrophobicContact CE1-CE 3.45Å; F16-M51 VanDerWaalsContact CE1-CE 3.45Å; F16-M51 HydrophobicContact CE1-CG 3.29Å; F16-M51 HydrophobicContact CE1-SD 3.53Å; F16-M51 VanDerWaalsContact CE1-SD 3.53Å; F16-M51 WeakPolarHBondContact CE2-O 3.45Å; F16-M51 HydrophobicContact CG-CE 4.35Å; F16-M51 HydrophobicContact CZ-CB 3.73Å; F16-M51 HydrophobicContact CZ-CG 3.78Å; F16-M51 WeakPolarHBondContact CZ-O 3.22Å; F45-M51 HydrophobicContact CD1-CB 4.18Å; F45-M51 HydrophobicContact CD1-CG 4.02Å; F45-M51 HydrophobicContact CD2-CG 4.01Å; F45-M51 HydrophobicContact CE1-CG 4.17Å; F45-M51 HydrophobicContact CE2-CG 4.17Å; F45-M51 HydrophobicContact CG-CB 4.34Å; F45-M51 HydrophobicContact CG-CG 3.93Å; F45-M51 HydrophobicContact CZ-CG 4.25Å; T47-M51 PolarHBondContact O-N 2.89Å; L48-M51 HydrophobicContact CD2-CE 3.82Å; L48-M51 WeakPolarHBondContact O-CB 3.39Å; L48-M51 PolarHBondContact O-N 2.95Å; E49-M51 PolarHBondContact O-N 3.44Å; M51-E53 VanDerWaalsContact C-N 3.28Å; M51-E53 PolarHBondContact O-N 3.46Å; M51-E53 VanDerWaalsContact O-N 3.15Å; M51-F54 PolarHBondContact O-N 2.78Å; M51-F55 HydrophobicContact CG-CD2 4.2Å; M51-F55 HydrophobicContact CG-CE2 4.15Å; M51-F55 PolarHBondContact O-N 3.3Å
52D47.8Very low45.8Very low35 Ų3593.7 Ų93.719%0.18747%0.474CS..Hα-helixtrans-40.4-52.6179-75.8-0000112.5H12 F16 L48 E49 F55 L56H12-D52 IonicContact ND1-OD2 2.63Å; F16-D52 WeakPolarHBondContact CB-OD1 3.31Å; F16-D52 HydrophobicContact CD2-CB 4.19Å; F16-D52 WeakPolarHBondContact CD2-OD1 3.42Å; F16-D52 HydrophobicContact CE2-CB 4.18Å; F16-D52 WeakPolarHBondContact CE2-OD1 3.22Å; F16-D52 WeakPolarHBondContact CG-OD1 3.23Å; L48-D52 WeakPolarHBondContact O-CB 3.17Å; L48-D52 PolarHBondContact O-N 2.99Å; E49-D52 WeakPolarHBondContact O-CA 3.4Å; E49-D52 WeakPolarHBondContact O-CB 3.25Å; E49-D52 PolarHBondContact O-N 3.38Å; E49-D52 VanDerWaalsContact O-N 3.17Å; D52-F55 PolarHBondContact O-N 3.26Å; D52-L56 VanDerWaalsContact O-CB 3.29Å; D52-L56 WeakPolarHBondContact O-CB 3.48Å; D52-L56 WeakPolarHBondContact O-CD1 2.82Å; D52-L56 WeakPolarHBondContact O-CG 3.44Å; D52-L56 PolarHBondContact O-N 3Å
53E53.1Low46.9Very low140 Ų14094.4 Ų94.465%0.65448%0.478SS*.Hα-helixtrans-64.7-45.4179.6-73.7-178.5177.500114.2E49 M51 F55 L56E49-E53 WeakPolarHBondContact O-CB 3.31Å; E49-E53 WeakPolarHBondContact O-CG 3.46Å; E49-E53 PolarHBondContact O-N 3.01Å; M51-E53 VanDerWaalsContact C-N 3.28Å; M51-E53 PolarHBondContact O-N 3.46Å; M51-E53 VanDerWaalsContact O-N 3.15Å; E53-F55 PolarHBondContact O-N 3.2Å; E53-L56 PolarHBondContact O-N 3.01Å
54F49.5Very low47.9Very low90 Ų9088.2 Ų88.240%0.39546%0.458SS..Hα-helixtrans-58.2-37.8-179.9172.6-102.2000111.1F45 E50 M51 F58F45-F54 HydrophobicContact CE1-CB 4.05Å; F45-F54 HydrophobicContact CE1-CG 4.32Å; F45-F54 HydrophobicContact CZ-CD1 4.22Å; F45-F54 HydrophobicContact CZ-CG 4.42Å; E50-F54 PolarHBondContact O-N 2.89Å; M51-F54 PolarHBondContact O-N 2.78Å; F54-F58 WeakPolarHBondContact O-CD2 3.47Å; F54-F58 WeakPolarHBondContact O-CE2 3.32Å
55F47.7Very low49.2Very low42 Ų4284.4 Ų84.418%0.18445%0.445CS..Hα-helixtrans-97-19.9-170.7-84.3-64.6000112.3F16 V20 M51 D52 E53 E57 F58 I59F16-F55 HydrophobicContact CE1-CB 4.33Å; F16-F55 AromaticContact CE1-CD2 3.49Å; F16-F55 HydrophobicContact CE1-CD2 3.49Å; F16-F55 VanDerWaalsContact CE1-CD2 3.49Å; F16-F55 AromaticContact CE1-CE2 3.93Å; F16-F55 HydrophobicContact CE1-CE2 3.93Å; F16-F55 HydrophobicContact CE1-CG 4.15Å; F16-F55 HydrophobicContact CE2-CB 3.31Å; F16-F55 HydrophobicContact CE2-CD2 4.08Å; F16-F55 HydrophobicContact CE2-CG 4.05Å; F16-F55 HydrophobicContact CZ-CB 3.26Å; F16-F55 AromaticContact CZ-CD2 3.07Å; F16-F55 HydrophobicContact CZ-CD2 3.07Å; F16-F55 AromaticContact CZ-CE2 3.97Å; F16-F55 HydrophobicContact CZ-CE2 3.97Å; F16-F55 AromaticContact CZ-CG 3.47Å; F16-F55 HydrophobicContact CZ-CG 3.47Å; F16-F55 VanDerWaalsContact CZ-CG 3.47Å; V20-F55 HydrophobicContact CB-CD1 3.79Å; V20-F55 HydrophobicContact CB-CE1 4.1Å; V20-F55 HydrophobicContact CB-CG 4.43Å; V20-F55 HydrophobicContact CG1-CD1 3.34Å; V20-F55 HydrophobicContact CG1-CE1 3.35Å; V20-F55 HydrophobicContact CG1-CG 4.41Å; V20-F55 HydrophobicContact CG1-CZ 4.42Å; V20-F55 HydrophobicContact CG2-CB 3.43Å; V20-F55 VanDerWaalsContact CG2-CB 3.43Å; V20-F55 HydrophobicContact CG2-CD1 2.98Å; V20-F55 HydrophobicContact CG2-CD2 4.08Å; V20-F55 HydrophobicContact CG2-CE1 3.54Å; V20-F55 HydrophobicContact CG2-CE2 4.48Å; V20-F55 HydrophobicContact CG2-CG 3.21Å; V20-F55 HydrophobicContact CG2-CZ 4.22Å; M51-F55 HydrophobicContact CG-CD2 4.2Å; M51-F55 HydrophobicContact CG-CE2 4.15Å; M51-F55 PolarHBondContact O-N 3.3Å; D52-F55 PolarHBondContact O-N 3.26Å; E53-F55 PolarHBondContact O-N 3.2Å; F55-E57 PolarHBondContact O-N 3.18Å; F55-E57 VanDerWaalsContact O-N 3.1Å; F55-F58 VanDerWaalsContact O-CB 3.32Å; F55-F58 WeakPolarHBondContact O-CB 3.18Å; F55-F58 WeakPolarHBondContact O-CD2 3.45Å; F55-F58 PolarHBondContact O-N 3.41Å; F55-I59 HydrophobicContact CB-CD1 4.45Å; F55-I59 WeakPolarHBondContact O-CD1 3.24Å; F55-I59 WeakPolarHBondContact O-CG1 3.37Å
56L47.5Very low50.2Low117 Ų11785.5 Ų85.561%0.61346%0.46SS*.Hα-helixtrans-51.1-30.5174.4-98.6159.2000114.2D52 E53 F58D52-L56 VanDerWaalsContact O-CB 3.29Å; D52-L56 WeakPolarHBondContact O-CB 3.48Å; D52-L56 WeakPolarHBondContact O-CD1 2.82Å; D52-L56 WeakPolarHBondContact O-CG 3.44Å; D52-L56 PolarHBondContact O-N 3Å; E53-L56 PolarHBondContact O-N 3.01Å; L56-F58 PolarHBondContact O-N 2.89Å
57E44.4Very low51.6Low151 Ų15180.4 Ų80.471%0.70644%0.441SS*.THydrogen-bonded Turntrans-65.8-12.6174.4-85.1-164.5162.400114.5F55F55-E57 PolarHBondContact O-N 3.18Å; F55-E57 VanDerWaalsContact O-N 3.1Å
58F42.5Very low53.1Low32 Ų3278.7 Ų78.714%0.1443%0.428CS..THydrogen-bonded Turntrans-111.514.9-165.2-63.4-92.7000113.7A23 I24 F54 F55 L56A23-F58 WeakPolarHBondContact CB-O 3.42Å; I24-F58 HydrophobicContact CD1-CB 4.02Å; I24-F58 HydrophobicContact CD1-CD1 3.64Å; I24-F58 HydrophobicContact CD1-CG 4.27Å; I24-F58 HydrophobicContact CG1-CB 3.95Å; I24-F58 HydrophobicContact CG1-CD1 4Å; I24-F58 WeakPolarHBondContact CG1-O 3.32Å; F54-F58 WeakPolarHBondContact O-CD2 3.47Å; F54-F58 WeakPolarHBondContact O-CE2 3.32Å; F55-F58 VanDerWaalsContact O-CB 3.32Å; F55-F58 WeakPolarHBondContact O-CB 3.18Å; F55-F58 WeakPolarHBondContact O-CD2 3.45Å; F55-F58 PolarHBondContact O-N 3.41Å; L56-F58 PolarHBondContact O-N 2.89Å
59I41.9Very low54.6Low34 Ų3477 Ų7717%0.17442%0.419CS..  trans-140.1116.1-155.1-47.8171.9000116.3S19 V20 A23 F55 L61S19-I59 VanDerWaalsContact C-CG2 3.45Å; S19-I59 WeakPolarHBondContact O-CB 3.04Å; S19-I59 WeakPolarHBondContact O-CG1 3.28Å; S19-I59 WeakPolarHBondContact O-CG2 3.39Å; S19-I59 WeakPolarHBondContact OG-CD1 3.4Å; V20-I59 HydrophobicContact CG2-CD1 4.44Å; A23-I59 HydrophobicContact CB-CB 4.44Å; A23-I59 HydrophobicContact CB-CG2 4.43Å; F55-I59 HydrophobicContact CB-CD1 4.45Å; F55-I59 WeakPolarHBondContact O-CD1 3.24Å; F55-I59 WeakPolarHBondContact O-CG1 3.37Å; I59-L61 HydrophobicContact CG2-CB 4.14Å; I59-L61 HydrophobicContact CG2-CD1 4.26Å; I59-L61 HydrophobicContact CG2-CD2 4.36Å; I59-L61 HydrophobicContact CG2-CG 3.53Å
60P44.7Very low55.9Low79 Ų7971.3 Ų71.351%0.51339%0.393SS..  trans-99.7101.7144.5-14.631.7000111.9A23 A62A23-P60 VanDerWaalsContact CA-CD 3.47Å; A23-P60 HydrophobicContact CB-CG 4.4Å; P60-A62 PolarHBondContact O-N 3.17Å
61L46.5Very low57.5Low106 Ų10667.6 Ų67.656%0.55538%0.375SS*.  trans-67.8-7.8-179.2-95.3164.5000115.5S19 I59 T63S19-L61 VanDerWaalsContact CB-CD2 3.41Å; I59-L61 HydrophobicContact CG2-CB 4.14Å; I59-L61 HydrophobicContact CG2-CD1 4.26Å; I59-L61 HydrophobicContact CG2-CD2 4.36Å; I59-L61 HydrophobicContact CG2-CG 3.53Å; L61-T63 PolarHBondContact O-N 2.92Å
62A49.1Very low59.2Low97 Ų9767.2 Ų67.280%0.80237%0.374SS*.SBendtrans-86.8-3.1-151.600000116.6P60P60-A62 PolarHBondContact O-N 3.17Å
63T57.3Low60.8Low121 Ų12165.7 Ų65.774%0.74237%0.366SS*.SBendtrans-124-5.3-163.256.50000116.6L61L61-T63 PolarHBondContact O-N 2.92Å
64L63.2Low62.4Low49 Ų4959 Ų5926%0.25733%0.334SS..  trans-92133.2178.5-70.4174.4000112.1A22A22-L64 HydrophobicContact CB-CD1 3.62Å; A22-L64 HydrophobicContact CB-CG 4.42Å
65A68.7Low64.2Low52 Ų5254.7 Ų54.743%0.4332%0.316SS..  trans-64146.8170.900000110.7D67 Y68A65-D67 VanDerWaalsContact C-N 3.29Å; A65-D67 PolarHBondContact O-N 2.91Å; A65-D67 VanDerWaalsContact O-N 3.14Å; A65-Y68 HydrophobicContact CB-CD2 4.15Å; A65-Y68 WeakPolarHBondContact O-CB 3.41Å; A65-Y68 PolarHBondContact O-N 2.82Å
66P69.4Low65.8Low103 Ų10353.4 Ų53.467%0.66931%0.31SS*.Hα-helixtrans-51.9-40-174.7-29.935.8000115.1Y68 I69P66-Y68 VanDerWaalsContact C-N 3.25Å; P66-Y68 PolarHBondContact O-N 2.97Å; P66-I69 VanDerWaalsContact O-CB 3.25Å; P66-I69 WeakPolarHBondContact O-CB 3.27Å; P66-I69 PolarHBondContact O-N 2.83Å; P66-I69 VanDerWaalsContact O-N 3.1Å
67D72.7Confident67.8Low69 Ų6947.9 Ų47.937%0.36928%0.281SS..Hα-helixtrans-62.8-31.1179.7-66.53.6000113.2A65 I69 L101 Q104 Y109A65-D67 VanDerWaalsContact C-N 3.29Å; A65-D67 PolarHBondContact O-N 2.91Å; A65-D67 VanDerWaalsContact O-N 3.14Å; D67-I69 VanDerWaalsContact C-N 3.28Å; D67-I69 PolarHBondContact O-N 3.31Å; D67-L101 HydrophobicContact CB-CD2 3.92Å; D67-L101 WeakPolarHBondContact O-CD2 3.07Å; D67-Q104 PolarHBondContact O-NE2 3.12Å; D67-Q104 PolarHBondContact O-OE1 3.35Å; D67-Y109 PolarHBondContact OD2-OH 3.11Å
68Y78.4Confident70.1Confident23 Ų2341.2 Ų41.29%0.0925%0.25CS..Hα-helixtrans-77.2-17.2179.2-79.9-93.6000112.5A65 P66 N72 M97 L101 Q113 S115A65-Y68 HydrophobicContact CB-CD2 4.15Å; A65-Y68 WeakPolarHBondContact O-CB 3.41Å; A65-Y68 PolarHBondContact O-N 2.82Å; P66-Y68 VanDerWaalsContact C-N 3.25Å; P66-Y68 PolarHBondContact O-N 2.97Å; Y68-N72 WeakPolarHBondContact O-CB 3.35Å; Y68-N72 PolarHBondContact O-N 3.23Å; Y68-N72 PolarHBondContact O-ND2 2.99Å; Y68-M97 HydrophobicContact CD1-SD 4.06Å; Y68-M97 HydrophobicContact CE1-CG 4.4Å; Y68-M97 HydrophobicContact CE1-SD 4.4Å; Y68-L101 HydrophobicContact CE1-CD1 4.3Å; Y68-Q113 PolarHBondContact OH-O 2.81Å; Y68-S115 PolarHBondContact OH-N 2.97Å
69I74.8Confident72.2Confident51 Ų5139.8 Ų39.826%0.26224%0.244SC..Hα-helixtrans-64-63.4176.8-63.3179.3000108L18 P66 D67 A71 N72 L73 F155L18-I69 HydrophobicContact CB-CG2 4Å; L18-I69 HydrophobicContact CD1-CB 4.32Å; L18-I69 HydrophobicContact CD1-CG2 3.14Å; L18-I69 WeakPolarHBondContact CD1-O 3.33Å; L18-I69 HydrophobicContact CD2-CG2 4.06Å; L18-I69 WeakPolarHBondContact CD2-O 3.2Å; L18-I69 HydrophobicContact CG-CG2 3.88Å; P66-I69 VanDerWaalsContact O-CB 3.25Å; P66-I69 WeakPolarHBondContact O-CB 3.27Å; P66-I69 PolarHBondContact O-N 2.83Å; P66-I69 VanDerWaalsContact O-N 3.1Å; D67-I69 VanDerWaalsContact C-N 3.28Å; D67-I69 PolarHBondContact O-N 3.31Å; I69-A71 PolarHBondContact O-N 2.91Å; I69-A71 VanDerWaalsContact O-N 3.13Å; I69-N72 PolarHBondContact O-N 3.43Å; I69-L73 PolarHBondContact O-N 3.09Å; I69-L73 VanDerWaalsContact O-N 3.13Å; I69-F155 HydrophobicContact CG2-CE1 4.2Å; I69-F155 HydrophobicContact CG2-CZ 4.08Å
70G78.8Confident74.4Confident0 Ų038.2 Ų38.20%024%0.236CC..Hα-helixtrans-57.3-36178.200000113.3L73 G74 Q104 F155 V158G70-L73 WeakPolarHBondContact O-CB 3.37Å; G70-L73 PolarHBondContact O-N 3.43Å; G70-G74 PolarHBondContact O-N 3.45Å; G70-Q104 VanDerWaalsContact CA-OE1 3.29Å; G70-F155 VanDerWaalsContact CA-CE1 3.48Å; G70-V158 WeakPolarHBondContact O-CG1 3.48Å
71A84.4Confident76.3Confident0 Ų035.4 Ų35.40%022%0.221CC..Hα-helixtrans-68.4-39.3179.900000113.9I69 L73 G74 M75 M97 F100 L101I69-A71 PolarHBondContact O-N 2.91Å; I69-A71 VanDerWaalsContact O-N 3.13Å; A71-L73 VanDerWaalsContact C-N 3.28Å; A71-L73 PolarHBondContact O-N 2.88Å; A71-G74 PolarHBondContact O-N 3.4Å; A71-M75 WeakPolarHBondContact O-CG 3.36Å; A71-M75 PolarHBondContact O-N 3.28Å; A71-M97 HydrophobicContact CB-SD 3.24Å; A71-M97 WeakPolarHBondContact CB-SD 3.42Å; A71-F100 HydrophobicContact CB-CB 3.74Å; A71-L101 HydrophobicContact CB-CD2 3.88Å; A71-L101 HydrophobicContact CB-CG 3.89Å
72N81.4Confident78.1Confident21 Ų2133 Ų3311%0.11221%0.206CC..Hα-helixtrans-67.4-28.8172.8-83.6-72.4000112.5L18 Y68 I69 M75 F76 M97 S118 L120L18-N72 HydrophobicContact CD2-CB 3.83Å; Y68-N72 WeakPolarHBondContact O-CB 3.35Å; Y68-N72 PolarHBondContact O-N 3.23Å; Y68-N72 PolarHBondContact O-ND2 2.99Å; I69-N72 PolarHBondContact O-N 3.43Å; N72-M75 WeakPolarHBondContact O-CB 3.5Å; N72-M75 PolarHBondContact O-N 2.75Å; N72-F76 PolarHBondContact O-N 3.41Å; N72-M97 WeakPolarHBondContact OD1-CE 3.47Å; N72-S118 PolarHBondContact ND2-O 3.12Å; N72-S118 PolarHBondContact OD1-O 2.83Å; N72-L120 PolarHBondContact OD1-N 3.21Å
73L80.1Confident79.7Confident2 Ų235.2 Ų35.21%0.0120%0.2CC..Hα-helixtrans-67.6-44.2176-175.464.3000109.7A14 A17 L18 I69 G70 A71 M75 F76 F77 A149 F155A14-L73 HydrophobicContact CB-CD2 4.2Å; A17-L73 HydrophobicContact CB-CD1 3.68Å; L18-L73 HydrophobicContact CD1-CB 3.65Å; L18-L73 HydrophobicContact CD1-CD1 4.3Å; L18-L73 HydrophobicContact CD1-CD2 4.12Å; L18-L73 HydrophobicContact CD1-CG 4.22Å; L18-L73 HydrophobicContact CD2-CB 3.86Å; L18-L73 HydrophobicContact CG-CB 3.84Å; L18-L73 HydrophobicContact CG-CD1 4.17Å; L18-L73 HydrophobicContact CG-CG 4.47Å; I69-L73 PolarHBondContact O-N 3.09Å; I69-L73 VanDerWaalsContact O-N 3.13Å; G70-L73 WeakPolarHBondContact O-CB 3.37Å; G70-L73 PolarHBondContact O-N 3.43Å; A71-L73 VanDerWaalsContact C-N 3.28Å; A71-L73 PolarHBondContact O-N 2.88Å; L73-M75 VanDerWaalsContact C-N 3.3Å; L73-M75 PolarHBondContact O-N 3.39Å; L73-F76 HydrophobicContact CD1-CD1 4.4Å; L73-F76 WeakPolarHBondContact O-CB 3.5Å; L73-F76 PolarHBondContact O-N 3.44Å; L73-F77 HydrophobicContact CD1-CE1 3.72Å; L73-F77 HydrophobicContact CD1-CE2 4.25Å; L73-F77 HydrophobicContact CD1-CZ 3.58Å; L73-F77 HydrophobicContact CD2-CE2 3.9Å; L73-F77 HydrophobicContact CD2-CZ 3.71Å; L73-F77 HydrophobicContact CG-CD2 4.31Å; L73-F77 HydrophobicContact CG-CE1 4Å; L73-F77 HydrophobicContact CG-CE2 3.58Å; L73-F77 HydrophobicContact CG-CZ 3.4Å; L73-F77 VanDerWaalsContact CG-CZ 3.4Å; L73-F77 WeakPolarHBondContact O-CD2 3.23Å; L73-F77 VanDerWaalsContact O-CG 3.23Å; L73-F77 WeakPolarHBondContact O-CG 3.26Å; L73-F77 PolarHBondContact O-N 3.33Å; L73-A149 HydrophobicContact CD2-CB 4.36Å; L73-F155 HydrophobicContact CD2-CD1 3.75Å; L73-F155 HydrophobicContact CD2-CE1 4.21Å
74G87.5Confident80.8Confident0 Ų030.4 Ų30.40%017%0.17CC..Hα-helixtrans-55.7-45.6170.700000111.8G70 A71 F76 F77 M78 F100G70-G74 PolarHBondContact O-N 3.45Å; A71-G74 PolarHBondContact O-N 3.4Å; G74-F76 VanDerWaalsContact C-N 3.35Å; G74-F76 PolarHBondContact O-N 3.27Å; G74-F77 WeakPolarHBondContact O-CB 3.4Å; G74-F77 PolarHBondContact O-N 3.44Å; G74-M78 WeakPolarHBondContact O-CG 3.23Å; G74-M78 PolarHBondContact O-N 2.93Å; G74-F100 VanDerWaalsContact CA-CZ 3.43Å; G74-F100 WeakPolarHBondContact O-CE2 3.44Å; G74-F100 WeakPolarHBondContact O-CZ 3.25Å
75M86.9Confident81.7Confident0 Ų030.9 Ų30.90%017%0.172CC..Hα-helixtrans-59.4-42.6176.3-71.6-62.1-6500113A71 N72 L73 M78 M79 W92 A93 R96 M97 F100A71-M75 WeakPolarHBondContact O-CG 3.36Å; A71-M75 PolarHBondContact O-N 3.28Å; N72-M75 WeakPolarHBondContact O-CB 3.5Å; N72-M75 PolarHBondContact O-N 2.75Å; L73-M75 VanDerWaalsContact C-N 3.3Å; L73-M75 PolarHBondContact O-N 3.39Å; M75-M78 WeakPolarHBondContact O-CB 3.34Å; M75-M78 PolarHBondContact O-N 3.03Å; M75-M79 PolarHBondContact O-N 3.28Å; M75-W92 HydrophobicContact CE-CE3 4.22Å; M75-W92 HydrophobicContact CE-CH2 3.83Å; M75-W92 HydrophobicContact CE-CZ3 3.44Å; M75-W92 VanDerWaalsContact CE-CZ3 3.44Å; M75-A93 HydrophobicContact CE-CB 3.72Å; M75-R96 HydrophobicContact CE-CB 4.43Å; M75-R96 HydrophobicContact SD-CB 3.43Å; M75-R96 WeakPolarHBondContact SD-CB 3.47Å; M75-M97 HydrophobicContact CG-CE 3.85Å; M75-F100 HydrophobicContact CG-CD2 4.39Å; M75-F100 HydrophobicContact SD-CD2 4.38Å; M75-F100 HydrophobicContact SD-CE2 4.29Å
76F82.6Confident82.3Confident15 Ų1531.8 Ų31.87%0.06617%0.174CC..Hα-helixtrans-58.7-48.9174.4167.9-110.3000111.3Y21 N72 L73 G74 M78 M79 L128 F138 T142Y21-F76 HydrophobicContact CD2-CD2 4Å; Y21-F76 HydrophobicContact CD2-CG 4.31Å; Y21-F76 HydrophobicContact CE1-CD2 4.38Å; Y21-F76 HydrophobicContact CE2-CB 4.46Å; Y21-F76 HydrophobicContact CE2-CD1 4.47Å; Y21-F76 AromaticContact CE2-CD2 3.21Å; Y21-F76 HydrophobicContact CE2-CD2 3.21Å; Y21-F76 AromaticContact CE2-CE2 3.46Å; Y21-F76 HydrophobicContact CE2-CE2 3.46Å; Y21-F76 VanDerWaalsContact CE2-CE2 3.46Å; Y21-F76 AromaticContact CE2-CG 3.81Å; Y21-F76 HydrophobicContact CE2-CG 3.81Å; Y21-F76 HydrophobicContact CE2-CZ 4.17Å; Y21-F76 AromaticContact CZ-CD2 3.45Å; Y21-F76 VanDerWaalsContact CZ-CD2 3.45Å; Y21-F76 AromaticContact CZ-CE2 3.44Å; Y21-F76 VanDerWaalsContact CZ-CE2 3.44Å; Y21-F76 WeakPolarHBondContact OH-CE2 3.4Å; N72-F76 PolarHBondContact O-N 3.41Å; L73-F76 HydrophobicContact CD1-CD1 4.4Å; L73-F76 WeakPolarHBondContact O-CB 3.5Å; L73-F76 PolarHBondContact O-N 3.44Å; G74-F76 VanDerWaalsContact C-N 3.35Å; G74-F76 PolarHBondContact O-N 3.27Å; F76-M78 PolarHBondContact O-N 3.25Å; F76-M79 VanDerWaalsContact O-CB 3.25Å; F76-M79 WeakPolarHBondContact O-CB 3.4Å; F76-M79 PolarHBondContact O-N 3.14Å; F76-L128 HydrophobicContact CD2-CD1 3.95Å; F76-L128 HydrophobicContact CE2-CD1 4.36Å; F76-L128 HydrophobicContact CE2-CD2 4.17Å; F76-F138 AromaticContact CE2-CZ 3.95Å; F76-F138 HydrophobicContact CE2-CZ 3.95Å; F76-F138 HydrophobicContact CZ-CZ 4.13Å; F76-T142 HydrophobicContact CD1-CG2 4.27Å; F76-T142 HydrophobicContact CE1-CG2 3.56Å; F76-T142 HydrophobicContact CZ-CG2 3.89Å
77F89.9Confident83.2Confident0 Ų033.1 Ų33.10%018%0.175CC..Hα-helixtrans-57.9-37.3177-59.4-28.8000112.5L73 G74 M79 L80 T142 V145 I146 A149 A162L73-F77 HydrophobicContact CD1-CE1 3.72Å; L73-F77 HydrophobicContact CD1-CE2 4.25Å; L73-F77 HydrophobicContact CD1-CZ 3.58Å; L73-F77 HydrophobicContact CD2-CE2 3.9Å; L73-F77 HydrophobicContact CD2-CZ 3.71Å; L73-F77 HydrophobicContact CG-CD2 4.31Å; L73-F77 HydrophobicContact CG-CE1 4Å; L73-F77 HydrophobicContact CG-CE2 3.58Å; L73-F77 HydrophobicContact CG-CZ 3.4Å; L73-F77 VanDerWaalsContact CG-CZ 3.4Å; L73-F77 WeakPolarHBondContact O-CD2 3.23Å; L73-F77 VanDerWaalsContact O-CG 3.23Å; L73-F77 WeakPolarHBondContact O-CG 3.26Å; L73-F77 PolarHBondContact O-N 3.33Å; G74-F77 WeakPolarHBondContact O-CB 3.4Å; G74-F77 PolarHBondContact O-N 3.44Å; F77-M79 PolarHBondContact O-N 2.87Å; F77-L80 VanDerWaalsContact O-CB 3.3Å; F77-L80 WeakPolarHBondContact O-CB 3.36Å; F77-L80 WeakPolarHBondContact O-CG 3.36Å; F77-L80 PolarHBondContact O-N 3.38Å; F77-L80 VanDerWaalsContact O-N 3.1Å; F77-T142 HydrophobicContact CD1-CG2 3.9Å; F77-T142 HydrophobicContact CE1-CG2 4.49Å; F77-V145 HydrophobicContact CE1-CB 4.17Å; F77-V145 HydrophobicContact CE1-CG1 3.75Å; F77-V145 HydrophobicContact CZ-CG1 3.95Å; F77-I146 HydrophobicContact CB-CD1 3.89Å; F77-I146 HydrophobicContact CB-CG1 4.04Å; F77-I146 HydrophobicContact CD1-CD1 4.03Å; F77-I146 HydrophobicContact CD1-CG1 3.37Å; F77-I146 HydrophobicContact CD2-CD1 4.39Å; F77-I146 HydrophobicContact CD2-CG1 3.68Å; F77-I146 HydrophobicContact CD2-CG2 4.46Å; F77-I146 HydrophobicContact CE1-CB 4.46Å; F77-I146 HydrophobicContact CE1-CG1 3.53Å; F77-I146 HydrophobicContact CE2-CB 4.31Å; F77-I146 HydrophobicContact CE2-CG1 3.8Å; F77-I146 HydrophobicContact CE2-CG2 4.37Å; F77-I146 HydrophobicContact CG-CD1 3.89Å; F77-I146 HydrophobicContact CG-CG1 3.44Å; F77-I146 VanDerWaalsContact CG-CG1 3.44Å; F77-I146 HydrophobicContact CZ-CB 4.27Å; F77-I146 HydrophobicContact CZ-CG1 3.73Å; F77-A149 HydrophobicContact CZ-CB 4.38Å; F77-A162 HydrophobicContact CB-CB 3.86Å; F77-A162 HydrophobicContact CD2-CB 3.72Å; F77-A162 HydrophobicContact CG-CB 4.28Å
78M91.1Very high83.9Confident12 Ų1236.6 Ų36.66%0.05918%0.184CC..Hα-helixtrans-62.7-22.9177.1-66.4-47.9-55.400113.5G74 M75 F76 L80 G81 K82 W92 F100 L165 L166G74-M78 WeakPolarHBondContact O-CG 3.23Å; G74-M78 PolarHBondContact O-N 2.93Å; M75-M78 WeakPolarHBondContact O-CB 3.34Å; M75-M78 PolarHBondContact O-N 3.03Å; F76-M78 PolarHBondContact O-N 3.25Å; M78-L80 PolarHBondContact O-N 3.49Å; M78-G81 PolarHBondContact O-N 3.21Å; M78-G81 VanDerWaalsContact O-N 3.1Å; M78-K82 WeakPolarHBondContact O-CB 3.35Å; M78-K82 PolarHBondContact O-N 3.22Å; M78-K82 VanDerWaalsContact O-N 3.11Å; M78-W92 HydrophobicContact CB-CH2 3.81Å; M78-W92 HydrophobicContact CB-CZ2 3.82Å; M78-W92 HydrophobicContact CG-CZ2 4.36Å; M78-F100 HydrophobicContact CG-CE2 3.88Å; M78-F100 HydrophobicContact CG-CZ 3.81Å; M78-F100 HydrophobicContact SD-CZ 4.06Å; M78-L165 HydrophobicContact CE-CB 3.61Å; M78-L165 HydrophobicContact CE-CD1 4.49Å; M78-L165 HydrophobicContact SD-CB 3.57Å; M78-L165 VanDerWaalsContact SD-CB 3.57Å; M78-L165 HydrophobicContact SD-CD1 3.95Å; M78-L165 HydrophobicContact SD-CG 4.44Å; M78-L166 HydrophobicContact CE-CD2 4.35Å; M78-L166 HydrophobicContact SD-CG 4.41Å
79M87.4Confident84.2Confident1 Ų136 Ų361%0.00518%0.182CC..THydrogen-bonded Turntrans-64.4-19.7176.5-61-61.4100.500112.4M75 F76 F77 G81 K82 I84 W92 L120 G125 L128M75-M79 PolarHBondContact O-N 3.28Å; F76-M79 VanDerWaalsContact O-CB 3.25Å; F76-M79 WeakPolarHBondContact O-CB 3.4Å; F76-M79 PolarHBondContact O-N 3.14Å; F77-M79 PolarHBondContact O-N 2.87Å; M79-G81 PolarHBondContact O-N 3.09Å; M79-K82 HydrophobicContact CE-CB 4.26Å; M79-I84 HydrophobicContact CE-CD1 3.88Å; M79-I84 HydrophobicContact SD-CD1 3.73Å; M79-I84 HydrophobicContact SD-CG1 4.36Å; M79-W92 HydrophobicContact CE-CH2 3.18Å; M79-W92 HydrophobicContact CE-CZ2 4.28Å; M79-W92 HydrophobicContact CE-CZ3 3.48Å; M79-W92 VanDerWaalsContact CE-CZ3 3.48Å; M79-L120 HydrophobicContact CE-CD2 4.31Å; M79-L120 HydrophobicContact CG-CD2 3.87Å; M79-L120 HydrophobicContact SD-CD2 3.89Å; M79-G125 VanDerWaalsContact SD-CA 3.53Å; M79-L128 HydrophobicContact CB-CB 3.75Å; M79-L128 HydrophobicContact CG-CB 3.82Å; M79-L128 HydrophobicContact CG-CD1 3.9Å
80L86.9Confident84.7Confident2 Ų238.6 Ų38.61%0.0119%0.193CC..THydrogen-bonded Turntrans-59.8-29.6172.2-70.5-176000114F77 M78 S132 F138 R139 T142 I143 I146 L166 K170 L222F77-L80 VanDerWaalsContact O-CB 3.3Å; F77-L80 WeakPolarHBondContact O-CB 3.36Å; F77-L80 WeakPolarHBondContact O-CG 3.36Å; F77-L80 PolarHBondContact O-N 3.38Å; F77-L80 VanDerWaalsContact O-N 3.1Å; M78-L80 PolarHBondContact O-N 3.49Å; L80-S132 WeakPolarHBondContact CA-OG 3.32Å; L80-S132 PolarHBondContact O-OG 3.01Å; L80-S132 VanDerWaalsContact O-OG 3.06Å; L80-F138 HydrophobicContact CD2-CE1 4.48Å; L80-R139 HydrophobicContact CD2-CB 4.19Å; L80-R139 HydrophobicContact CD2-CG 3.97Å; L80-T142 HydrophobicContact CD1-CG2 3.59Å; L80-T142 HydrophobicContact CD2-CG2 3.86Å; L80-T142 HydrophobicContact CG-CG2 3.66Å; L80-I143 HydrophobicContact CD1-CG1 3.9Å; L80-I146 HydrophobicContact CD1-CD1 3.95Å; L80-L166 HydrophobicContact CB-CD2 4.03Å; L80-L166 HydrophobicContact CD1-CD1 4.21Å; L80-K170 WeakPolarHBondContact O-CE 3.25Å; L80-K170 PolarHBondContact O-NZ 3.25Å; L80-L222 HydrophobicContact CB-CD1 4.5Å; L80-L222 HydrophobicContact CB-CD2 4.35Å; L80-L222 VanDerWaalsContact O-CD2 3.26Å; L80-L222 WeakPolarHBondContact O-CD2 3.45Å
81G85Confident85.1Confident20 Ų2045.1 Ų45.121%0.20622%0.223CC..THydrogen-bonded Turntrans-119.2-12.2-172.300000115M78 M79M78-G81 PolarHBondContact O-N 3.21Å; M78-G81 VanDerWaalsContact O-N 3.1Å; M79-G81 PolarHBondContact O-N 3.09Å
82K85.4Confident85.4Confident55 Ų5546.9 Ų46.924%0.23923%0.23CC..PPolyproline II helixtrans-99122.9-169.9-175.665.3175.6112.80111.1M78 M79 I84 W92 S129M78-K82 WeakPolarHBondContact O-CB 3.35Å; M78-K82 PolarHBondContact O-N 3.22Å; M78-K82 VanDerWaalsContact O-N 3.11Å; M79-K82 HydrophobicContact CE-CB 4.26Å; K82-I84 HydrophobicContact CB-CD1 4.3Å; K82-I84 HydrophobicContact CG-CD1 3.63Å; K82-W92 HydrophobicContact CB-CH2 4.28Å; K82-W92 HydrophobicContact CB-CZ2 4.01Å; K82-W92 HydrophobicContact CD-CD2 4.14Å; K82-W92 HydrophobicContact CD-CZ2 3.92Å; K82-W92 HydrophobicContact CG-CD2 4.31Å; K82-W92 HydrophobicContact CG-CE3 4.49Å; K82-W92 HydrophobicContact CG-CH2 4Å; K82-W92 HydrophobicContact CG-CZ2 3.71Å; K82-W92 HydrophobicContact CG-CZ3 4.34Å; K82-S129 WeakPolarHBondContact O-CB 3.32Å; K82-S129 PolarHBondContact O-OG 3.11Å
83Q82.5Confident85.7Confident144 Ų14445.9 Ų45.967%0.67323%0.225SC*.PPolyproline II helixtrans-79.7121.7159.9-169.4175.511.700108.7
84I80.3Confident86Confident20 Ų2048.5 Ų48.510%0.10324%0.237CC..PPolyproline II helixtrans-79.6126.9-179.7-56.4-45.4000110.1M79 K82 Y89 G125 I126M79-I84 HydrophobicContact CE-CD1 3.88Å; M79-I84 HydrophobicContact SD-CD1 3.73Å; M79-I84 HydrophobicContact SD-CG1 4.36Å; K82-I84 HydrophobicContact CB-CD1 4.3Å; K82-I84 HydrophobicContact CG-CD1 3.63Å; I84-Y89 HydrophobicContact CB-CD2 4.5Å; I84-Y89 HydrophobicContact CD1-CD2 3.74Å; I84-Y89 HydrophobicContact CD1-CE2 3.64Å; I84-Y89 HydrophobicContact CG1-CD2 4.36Å; I84-Y89 HydrophobicContact CG1-CE2 4.36Å; I84-Y89 HydrophobicContact CG2-CD2 3.6Å; I84-Y89 HydrophobicContact CG2-CE2 4.26Å; I84-Y89 HydrophobicContact CG2-CG 4.14Å; I84-G125 VanDerWaalsContact CG1-C 3.43Å; I84-G125 WeakPolarHBondContact CG1-O 3.46Å; I84-I126 HydrophobicContact CB-CG1 3.72Å; I84-I126 HydrophobicContact CG1-CG1 4.3Å; I84-I126 HydrophobicContact CG2-CD1 4.37Å; I84-I126 HydrophobicContact CG2-CG1 3.65Å
85D82.7Confident86.1Confident58 Ų5850.9 Ų50.931%0.3126%0.257SS..  trans-116.1116.5167.9-177.2-27.7000107.1N87 Y88 Y89D85-N87 PolarHBondContact O-N 3.5Å; D85-N87 VanDerWaalsContact O-N 3.1Å; D85-N87 WeakPolarHBondContact OD1-CB 3.22Å; D85-N87 PolarHBondContact OD1-N 2.87Å; D85-N87 PolarHBondContact OD1-ND2 3.36Å; D85-Y88 HydrophobicContact CB-CD2 4.19Å; D85-Y88 PolarHBondContact O-N 3Å; D85-Y88 VanDerWaalsContact O-N 3.09Å; D85-Y88 WeakPolarHBondContact OD2-CD2 3.38Å; D85-Y89 WeakPolarHBondContact O-CB 3.49Å; D85-Y89 PolarHBondContact O-N 3.36Å
86P81.1Confident86.3Confident72 Ų7254.6 Ų54.647%0.46827%0.27SS..THydrogen-bonded Turntrans-53-31.4-179.5-27.135000113.8Y88 W122P86-Y88 VanDerWaalsContact C-N 3.33Å; P86-Y88 PolarHBondContact O-N 3.33Å; P86-W122 HydrophobicContact CB-CE3 4.35Å; P86-W122 HydrophobicContact CB-CZ3 4.36Å; P86-W122 HydrophobicContact CG-CE3 4.08Å; P86-W122 HydrophobicContact CG-CZ3 3.88Å
87N87.2Confident86.6Confident130 Ų13053.9 Ų53.970%0.69527%0.267SS*.THydrogen-bonded Turntrans-70.7-27.7-177.5-58.3-59000113.1D85D85-N87 PolarHBondContact O-N 3.5Å; D85-N87 VanDerWaalsContact O-N 3.1Å; D85-N87 WeakPolarHBondContact OD1-CB 3.22Å; D85-N87 PolarHBondContact OD1-N 2.87Å; D85-N87 PolarHBondContact OD1-ND2 3.36Å
88Y86.9Confident86.6Confident143 Ų14354.6 Ų54.656%0.56127%0.271SS*.THydrogen-bonded Turntrans-118.7-4.2-175.4-56.6-75.3000113.3D85 P86 Q90 Q91 W92D85-Y88 HydrophobicContact CB-CD2 4.19Å; D85-Y88 PolarHBondContact O-N 3Å; D85-Y88 VanDerWaalsContact O-N 3.09Å; D85-Y88 WeakPolarHBondContact OD2-CD2 3.38Å; P86-Y88 VanDerWaalsContact C-N 3.33Å; P86-Y88 PolarHBondContact O-N 3.33Å; Y88-Q90 PolarHBondContact O-N 3.45Å; Y88-Q91 PolarHBondContact O-N 3.11Å; Y88-W92 WeakPolarHBondContact O-CB 3.45Å; Y88-W92 PolarHBondContact O-N 3Å
89Y85.3Confident86.6Confident10 Ų1055.2 Ų55.24%0.03928%0.278CS..Hα-helixtrans-58.5-48-174179.8-98.9000112.2I84 D85 Q91 W92 A93 L120 W122I84-Y89 HydrophobicContact CB-CD2 4.5Å; I84-Y89 HydrophobicContact CD1-CD2 3.74Å; I84-Y89 HydrophobicContact CD1-CE2 3.64Å; I84-Y89 HydrophobicContact CG1-CD2 4.36Å; I84-Y89 HydrophobicContact CG1-CE2 4.36Å; I84-Y89 HydrophobicContact CG2-CD2 3.6Å; I84-Y89 HydrophobicContact CG2-CE2 4.26Å; I84-Y89 HydrophobicContact CG2-CG 4.14Å; D85-Y89 WeakPolarHBondContact O-CB 3.49Å; D85-Y89 PolarHBondContact O-N 3.36Å; Y89-Q91 PolarHBondContact O-N 2.92Å; Y89-W92 HydrophobicContact CD2-CE3 4.01Å; Y89-W92 HydrophobicContact CD2-CZ3 4.29Å; Y89-W92 AromaticContact CE2-CE3 3.96Å; Y89-W92 HydrophobicContact CE2-CE3 3.96Å; Y89-W92 AromaticContact CE2-CZ3 3.79Å; Y89-W92 HydrophobicContact CE2-CZ3 3.79Å; Y89-W92 PolarHBondContact O-N 3.16Å; Y89-A93 HydrophobicContact CD1-CB 4.31Å; Y89-A93 HydrophobicContact CE1-CB 3.98Å; Y89-A93 VanDerWaalsContact O-CB 3.22Å; Y89-A93 WeakPolarHBondContact O-CB 3.39Å; Y89-A93 PolarHBondContact O-N 3.44Å; Y89-L120 VanDerWaalsContact CE1-O 3.23Å; Y89-L120 WeakPolarHBondContact CE1-O 3.27Å; Y89-L120 VanDerWaalsContact CZ-O 3.31Å; Y89-L120 WeakPolarHBondContact OH-CB 3.46Å; Y89-L120 PolarHBondContact OH-O 3.32Å; Y89-W122 HydrophobicContact CD1-CB 3.3Å; Y89-W122 HydrophobicContact CD2-CB 4.4Å; Y89-W122 HydrophobicContact CE1-CB 3.55Å; Y89-W122 HydrophobicContact CG-CB 3.74Å
90Q84.4Confident86.8Confident106 Ų10655.1 Ų55.150%0.49528%0.278SS..Hα-helixtrans-61.1-46.8-175.9-175.7-177.8-17.700112.1Y88 W92 A93 Q94 I116Y88-Q90 PolarHBondContact O-N 3.45Å; Q90-W92 VanDerWaalsContact C-N 3.34Å; Q90-W92 PolarHBondContact O-N 2.96Å; Q90-A93 PolarHBondContact O-N 3.02Å; Q90-Q94 WeakPolarHBondContact O-CB 3.27Å; Q90-Q94 WeakPolarHBondContact O-CG 3.45Å; Q90-Q94 PolarHBondContact O-N 3.09Å; Q90-I116 HydrophobicContact CG-CD1 4.36Å; Q90-I116 HydrophobicContact CG-CG1 4.28Å; Q90-I116 HydrophobicContact CG-CG2 4.35Å
91Q87.5Confident86.8Confident136 Ų13655.1 Ų55.164%0.63628%0.277SS*.Hα-helixtrans-62.7-43.6177.8-65.7177.54.300111.2Y88 Y89 A95Y88-Q91 PolarHBondContact O-N 3.11Å; Y89-Q91 PolarHBondContact O-N 2.92Å; Q91-A95 WeakPolarHBondContact O-CB 3.42Å; Q91-A95 PolarHBondContact O-N 3.41Å; Q91-A95 VanDerWaalsContact O-N 3.11Å
92W90.9Very high87.1Confident37 Ų3758.8 Ų58.814%0.1429%0.285CS..Hα-helixtrans-63-44.8176173.483.6000111.8M75 M78 M79 K82 Y88 Y89 Q90 A95 R96M75-W92 HydrophobicContact CE-CE3 4.22Å; M75-W92 HydrophobicContact CE-CH2 3.83Å; M75-W92 HydrophobicContact CE-CZ3 3.44Å; M75-W92 VanDerWaalsContact CE-CZ3 3.44Å; M78-W92 HydrophobicContact CB-CH2 3.81Å; M78-W92 HydrophobicContact CB-CZ2 3.82Å; M78-W92 HydrophobicContact CG-CZ2 4.36Å; M79-W92 HydrophobicContact CE-CH2 3.18Å; M79-W92 HydrophobicContact CE-CZ2 4.28Å; M79-W92 HydrophobicContact CE-CZ3 3.48Å; M79-W92 VanDerWaalsContact CE-CZ3 3.48Å; K82-W92 HydrophobicContact CB-CH2 4.28Å; K82-W92 HydrophobicContact CB-CZ2 4.01Å; K82-W92 HydrophobicContact CD-CD2 4.14Å; K82-W92 HydrophobicContact CD-CZ2 3.92Å; K82-W92 HydrophobicContact CG-CD2 4.31Å; K82-W92 HydrophobicContact CG-CE3 4.49Å; K82-W92 HydrophobicContact CG-CH2 4Å; K82-W92 HydrophobicContact CG-CZ2 3.71Å; K82-W92 HydrophobicContact CG-CZ3 4.34Å; Y88-W92 WeakPolarHBondContact O-CB 3.45Å; Y88-W92 PolarHBondContact O-N 3Å; Y89-W92 HydrophobicContact CD2-CE3 4.01Å; Y89-W92 HydrophobicContact CD2-CZ3 4.29Å; Y89-W92 AromaticContact CE2-CE3 3.96Å; Y89-W92 HydrophobicContact CE2-CE3 3.96Å; Y89-W92 AromaticContact CE2-CZ3 3.79Å; Y89-W92 HydrophobicContact CE2-CZ3 3.79Å; Y89-W92 PolarHBondContact O-N 3.16Å; Q90-W92 VanDerWaalsContact C-N 3.34Å; Q90-W92 PolarHBondContact O-N 2.96Å; W92-A95 PolarHBondContact O-N 2.87Å; W92-R96 HydrophobicContact CD2-CG 4.25Å; W92-R96 HydrophobicContact CZ2-CG 3.92Å; W92-R96 WeakPolarHBondContact O-CB 3.42Å; W92-R96 VanDerWaalsContact O-CG 3.27Å; W92-R96 WeakPolarHBondContact O-CG 3.35Å; W92-R96 PolarHBondContact O-N 2.89Å
93A87.7Confident87.3Confident0 Ų058 Ų580%029%0.285CS..Hα-helixtrans-66.6-43.8-177.800000111.7M75 Y89 Q90 R96 M97M75-A93 HydrophobicContact CE-CB 3.72Å; Y89-A93 HydrophobicContact CD1-CB 4.31Å; Y89-A93 HydrophobicContact CE1-CB 3.98Å; Y89-A93 VanDerWaalsContact O-CB 3.22Å; Y89-A93 WeakPolarHBondContact O-CB 3.39Å; Y89-A93 PolarHBondContact O-N 3.44Å; Q90-A93 PolarHBondContact O-N 3.02Å; A93-R96 PolarHBondContact O-N 3.18Å; A93-M97 WeakPolarHBondContact O-CB 3.35Å; A93-M97 PolarHBondContact O-N 3.39Å
94Q87.8Confident87.5Confident58 Ų5853.5 Ų53.527%0.27126%0.264SS..Hα-helixtrans-60.2-46.6173.9-74.1178.2-45.500111.7Q90 R96 M97 L98 I116Q90-Q94 WeakPolarHBondContact O-CB 3.27Å; Q90-Q94 WeakPolarHBondContact O-CG 3.45Å; Q90-Q94 PolarHBondContact O-N 3.09Å; Q94-R96 VanDerWaalsContact C-N 3.31Å; Q94-R96 PolarHBondContact O-N 3.25Å; Q94-M97 PolarHBondContact O-N 2.9Å; Q94-L98 VanDerWaalsContact O-CB 3.27Å; Q94-L98 WeakPolarHBondContact O-CB 3.24Å; Q94-L98 PolarHBondContact O-N 3.1Å; Q94-I116 HydrophobicContact CG-CG1 4.05Å
95A89.5Confident87.5Confident50 Ų5055.5 Ų55.541%0.41329%0.289SS..Hα-helixtrans-63.1-36.5179.400000112.6Q91 W92 A99Q91-A95 WeakPolarHBondContact O-CB 3.42Å; Q91-A95 PolarHBondContact O-N 3.41Å; Q91-A95 VanDerWaalsContact O-N 3.11Å; W92-A95 PolarHBondContact O-N 2.87Å; A95-A99 PolarHBondContact O-N 2.74Å; A95-A99 VanDerWaalsContact O-N 3.16Å
96R90.7Very high87Confident77 Ų7755.4 Ų55.429%0.29129%0.289SS..Hα-helixtrans-77.8-42.3178.7-68.7-68.1175.7-1022.7112.5M75 W92 A93 Q94 L98 A99 F100M75-R96 HydrophobicContact CE-CB 4.43Å; M75-R96 HydrophobicContact SD-CB 3.43Å; M75-R96 WeakPolarHBondContact SD-CB 3.47Å; W92-R96 HydrophobicContact CD2-CG 4.25Å; W92-R96 HydrophobicContact CZ2-CG 3.92Å; W92-R96 WeakPolarHBondContact O-CB 3.42Å; W92-R96 VanDerWaalsContact O-CG 3.27Å; W92-R96 WeakPolarHBondContact O-CG 3.35Å; W92-R96 PolarHBondContact O-N 2.89Å; A93-R96 PolarHBondContact O-N 3.18Å; Q94-R96 VanDerWaalsContact C-N 3.31Å; Q94-R96 PolarHBondContact O-N 3.25Å; R96-L98 VanDerWaalsContact C-N 3.3Å; R96-L98 PolarHBondContact O-N 3.36Å; R96-A99 WeakPolarHBondContact O-CB 3.46Å; R96-A99 PolarHBondContact O-N 3.48Å; R96-A99 VanDerWaalsContact O-N 3.12Å; R96-F100 HydrophobicContact CB-CE2 4.39Å; R96-F100 WeakPolarHBondContact O-CD2 3.43Å; R96-F100 PolarHBondContact O-N 3.06Å
97M88.5Confident86.8Confident0 Ų055.8 Ų55.80%030%0.298CS..Hα-helixtrans-55.7-48172.2-176.66173.400110.7Y68 A71 N72 M75 A93 Q94 A99 F100 L101 V114 S118 T119Y68-M97 HydrophobicContact CD1-SD 4.06Å; Y68-M97 HydrophobicContact CE1-CG 4.4Å; Y68-M97 HydrophobicContact CE1-SD 4.4Å; A71-M97 HydrophobicContact CB-SD 3.24Å; A71-M97 WeakPolarHBondContact CB-SD 3.42Å; N72-M97 WeakPolarHBondContact OD1-CE 3.47Å; M75-M97 HydrophobicContact CG-CE 3.85Å; A93-M97 WeakPolarHBondContact O-CB 3.35Å; A93-M97 PolarHBondContact O-N 3.39Å; Q94-M97 PolarHBondContact O-N 2.9Å; M97-A99 VanDerWaalsContact C-N 3.33Å; M97-A99 PolarHBondContact O-N 3.25Å; M97-F100 PolarHBondContact O-N 3.44Å; M97-L101 HydrophobicContact CG-CD1 4.02Å; M97-L101 WeakPolarHBondContact O-CG 3.33Å; M97-L101 PolarHBondContact O-N 2.91Å; M97-L101 HydrophobicContact SD-CD1 4.49Å; M97-L101 HydrophobicContact SD-CG 4.48Å; M97-V114 HydrophobicContact CB-CG1 3.84Å; M97-V114 HydrophobicContact CG-CG1 3.48Å; M97-V114 VanDerWaalsContact CG-CG1 3.48Å; M97-S118 WeakPolarHBondContact CE-O 3.07Å; M97-T119 HydrophobicContact CB-CG2 4.1Å; M97-T119 HydrophobicContact CE-CG2 3.8Å; M97-T119 HydrophobicContact CG-CG2 4.07Å
98L90.4Very high86.5Confident16 Ų1653.5 Ų53.58%0.08429%0.292CS..Hα-helixtrans-57.7-44.8175.1-176.561.7000112.2Q94 R96 F100 L101 R102 Y109 P111 V114Q94-L98 VanDerWaalsContact O-CB 3.27Å; Q94-L98 WeakPolarHBondContact O-CB 3.24Å; Q94-L98 PolarHBondContact O-N 3.1Å; R96-L98 VanDerWaalsContact C-N 3.3Å; R96-L98 PolarHBondContact O-N 3.36Å; L98-F100 VanDerWaalsContact C-N 3.33Å; L98-F100 PolarHBondContact O-N 3.46Å; L98-L101 PolarHBondContact O-N 3.1Å; L98-R102 HydrophobicContact CD1-CG 4.37Å; L98-R102 WeakPolarHBondContact O-CB 3.45Å; L98-R102 VanDerWaalsContact O-CG 3.29Å; L98-R102 WeakPolarHBondContact O-CG 3.23Å; L98-R102 PolarHBondContact O-N 3.31Å; L98-Y109 WeakPolarHBondContact CD1-O 3.4Å; L98-P111 HydrophobicContact CD2-CB 4.32Å; L98-P111 HydrophobicContact CD2-CG 3.8Å; L98-V114 HydrophobicContact CB-CG2 4.08Å; L98-V114 HydrophobicContact CD1-CG2 3.95Å
99A91.4Very high86.2Confident24 Ų2448.1 Ų48.120%0.19827%0.271CS..Hα-helixtrans-60.3-43.2177.400000111.6A95 R96 M97 R102 V103A95-A99 PolarHBondContact O-N 2.74Å; A95-A99 VanDerWaalsContact O-N 3.16Å; R96-A99 WeakPolarHBondContact O-CB 3.46Å; R96-A99 PolarHBondContact O-N 3.48Å; R96-A99 VanDerWaalsContact O-N 3.12Å; M97-A99 VanDerWaalsContact C-N 3.33Å; M97-A99 PolarHBondContact O-N 3.25Å; A99-R102 PolarHBondContact O-N 3.28Å; A99-V103 WeakPolarHBondContact O-CG1 3.49Å; A99-V103 PolarHBondContact O-N 3.32Å; A99-V103 VanDerWaalsContact O-N 3.14Å
100F90.2Very high86Confident0 Ų052.3 Ų52.30%029%0.291CS..Hα-helixtrans-70.7-37.2178.5-67.4-60.1000113.5A71 G74 M75 M78 R96 M97 L98 R102 V103 Q104 V158 Q161 A162 L165A71-F100 HydrophobicContact CB-CB 3.74Å; G74-F100 VanDerWaalsContact CA-CZ 3.43Å; G74-F100 WeakPolarHBondContact O-CE2 3.44Å; G74-F100 WeakPolarHBondContact O-CZ 3.25Å; M75-F100 HydrophobicContact CG-CD2 4.39Å; M75-F100 HydrophobicContact SD-CD2 4.38Å; M75-F100 HydrophobicContact SD-CE2 4.29Å; M78-F100 HydrophobicContact CG-CE2 3.88Å; M78-F100 HydrophobicContact CG-CZ 3.81Å; M78-F100 HydrophobicContact SD-CZ 4.06Å; R96-F100 HydrophobicContact CB-CE2 4.39Å; R96-F100 WeakPolarHBondContact O-CD2 3.43Å; R96-F100 PolarHBondContact O-N 3.06Å; M97-F100 PolarHBondContact O-N 3.44Å; L98-F100 VanDerWaalsContact C-N 3.33Å; L98-F100 PolarHBondContact O-N 3.46Å; F100-R102 VanDerWaalsContact C-N 3.33Å; F100-R102 PolarHBondContact O-N 2.99Å; F100-V103 VanDerWaalsContact O-CG2 3.24Å; F100-V103 WeakPolarHBondContact O-CG2 3.32Å; F100-Q104 WeakPolarHBondContact O-CG 3.43Å; F100-Q104 PolarHBondContact O-N 3.47Å; F100-Q104 PolarHBondContact O-NE2 3.2Å; F100-V158 HydrophobicContact CD1-CG1 3.88Å; F100-V158 HydrophobicContact CE1-CG1 4.25Å; F100-Q161 HydrophobicContact CD1-CB 4.23Å; F100-Q161 HydrophobicContact CD1-CG 4Å; F100-Q161 HydrophobicContact CE1-CB 4.04Å; F100-Q161 HydrophobicContact CE1-CG 3.84Å; F100-A162 HydrophobicContact CE1-CB 4.2Å; F100-A162 HydrophobicContact CZ-CB 4.36Å; F100-L165 HydrophobicContact CE1-CD1 4.43Å; F100-L165 HydrophobicContact CZ-CD1 4.08Å
101L88.6Confident85.7Confident1 Ų150.9 Ų50.91%0.00529%0.291CS..Hα-helixtrans-62.4-41.1173-71.8168.9000111.5D67 Y68 A71 M97 L98 Q104 Y109 V114D67-L101 HydrophobicContact CB-CD2 3.92Å; D67-L101 WeakPolarHBondContact O-CD2 3.07Å; Y68-L101 HydrophobicContact CE1-CD1 4.3Å; A71-L101 HydrophobicContact CB-CD2 3.88Å; A71-L101 HydrophobicContact CB-CG 3.89Å; M97-L101 HydrophobicContact CG-CD1 4.02Å; M97-L101 WeakPolarHBondContact O-CG 3.33Å; M97-L101 PolarHBondContact O-N 2.91Å; M97-L101 HydrophobicContact SD-CD1 4.49Å; M97-L101 HydrophobicContact SD-CG 4.48Å; L98-L101 PolarHBondContact O-N 3.1Å; L101-Q104 PolarHBondContact O-N 3.03Å; L101-Y109 HydrophobicContact CB-CD2 3.76Å; L101-Y109 HydrophobicContact CB-CE2 4.06Å; L101-Y109 HydrophobicContact CB-CG 4.11Å; L101-Y109 HydrophobicContact CD1-CD1 4.19Å; L101-Y109 HydrophobicContact CD1-CE1 4.24Å; L101-Y109 HydrophobicContact CD1-CG 4.43Å; L101-Y109 HydrophobicContact CD2-CE2 4.23Å; L101-V114 HydrophobicContact CD1-CG2 4.02Å
102R90.8Very high85.3Confident98 Ų9849.8 Ų49.837%0.3730%0.298SS..Hα-helixtrans-66.3-42.6179.1-73.9175.9173.6178.7-4.4112.8L98 A99 F100 Q104 G105 Y109L98-R102 HydrophobicContact CD1-CG 4.37Å; L98-R102 WeakPolarHBondContact O-CB 3.45Å; L98-R102 VanDerWaalsContact O-CG 3.29Å; L98-R102 WeakPolarHBondContact O-CG 3.23Å; L98-R102 PolarHBondContact O-N 3.31Å; A99-R102 PolarHBondContact O-N 3.28Å; F100-R102 VanDerWaalsContact C-N 3.33Å; F100-R102 PolarHBondContact O-N 2.99Å; R102-Q104 PolarHBondContact O-N 3.29Å; R102-G105 PolarHBondContact O-N 3.29Å; R102-G105 VanDerWaalsContact O-N 3.16Å; R102-Y109 VanDerWaalsContact CZ-O 3.3Å; R102-Y109 PolarHBondContact NE-O 3.33Å; R102-Y109 PolarHBondContact NH2-O 3.37Å
103V90.2Very high84.8Confident39 Ų3952.8 Ų52.824%0.23631%0.313CS..Hα-helixtrans-68.3-23.9178.8-60.60000112.8A99 F100 G105 K157 V158 Q161A99-V103 WeakPolarHBondContact O-CG1 3.49Å; A99-V103 PolarHBondContact O-N 3.32Å; A99-V103 VanDerWaalsContact O-N 3.14Å; F100-V103 VanDerWaalsContact O-CG2 3.24Å; F100-V103 WeakPolarHBondContact O-CG2 3.32Å; V103-G105 PolarHBondContact O-N 3.31Å; V103-G105 VanDerWaalsContact O-N 3.1Å; V103-K157 HydrophobicContact CB-CB 4.29Å; V103-K157 HydrophobicContact CG2-CB 4.44Å; V103-K157 WeakPolarHBondContact O-CB 3.34Å; V103-K157 WeakPolarHBondContact O-CD 3.25Å; V103-V158 HydrophobicContact CG2-CG2 4.4Å; V103-Q161 HydrophobicContact CG1-CB 4.2Å; V103-Q161 HydrophobicContact CG1-CG 4.04Å; V103-Q161 HydrophobicContact CG2-CB 4.11Å; V103-Q161 HydrophobicContact CG2-CG 4.37Å
104Q86.1Confident84.3Confident49 Ų4953.1 Ų53.123%0.22932%0.316CS..THydrogen-bonded Turntrans-70.72.2174.1-72.6177.9100.300113.7D67 G70 F100 L101 R102 V158D67-Q104 PolarHBondContact O-NE2 3.12Å; D67-Q104 PolarHBondContact O-OE1 3.35Å; G70-Q104 VanDerWaalsContact CA-OE1 3.29Å; F100-Q104 WeakPolarHBondContact O-CG 3.43Å; F100-Q104 PolarHBondContact O-N 3.47Å; F100-Q104 PolarHBondContact O-NE2 3.2Å; L101-Q104 PolarHBondContact O-N 3.03Å; R102-Q104 PolarHBondContact O-N 3.29Å; Q104-V158 HydrophobicContact CG-CG2 3.4Å; Q104-V158 VanDerWaalsContact CG-CG2 3.4Å
105G79.1Confident83.7Confident61 Ų6152.8 Ų52.863%0.62932%0.319SS*.THydrogen-bonded Turntrans109.45.517100000114.2R102 V103R102-G105 PolarHBondContact O-N 3.29Å; R102-G105 VanDerWaalsContact O-N 3.16Å; V103-G105 PolarHBondContact O-N 3.31Å; V103-G105 VanDerWaalsContact O-N 3.1Å
106N72.8Confident82.8Confident57 Ų5754.1 Ų54.131%0.30532%0.319SS..  trans-115.869.9178.9-160.6-12.1000110.4S108 Y109N106-S108 PolarHBondContact O-N 3.31Å; N106-S108 PolarHBondContact OD1-OG 3.3Å; N106-Y109 HydrophobicContact CB-CD2 3.53Å; N106-Y109 HydrophobicContact CB-CE2 3.52Å; N106-Y109 VanDerWaalsContact CG-CE2 3.49Å; N106-Y109 VanDerWaalsContact ND2-CE2 3.26Å; N106-Y109 WeakPolarHBondContact ND2-CE2 3.43Å; N106-Y109 WeakPolarHBondContact O-CD2 3.17Å; N106-Y109 PolarHBondContact O-N 3.38Å; N106-Y109 VanDerWaalsContact O-N 3.16Å
107A77.9Confident81.6Confident79 Ų7955 Ų5565%0.65334%0.343SS*.THydrogen-bonded Turntrans-57.7-19.4179.800000113.3Y109A107-Y109 VanDerWaalsContact C-N 3.28Å; A107-Y109 PolarHBondContact O-N 2.98Å
108S80.2Confident80.6Confident82 Ų8256.3 Ų56.357%0.57335%0.352SS*.THydrogen-bonded Turntrans-76.8-4.8-179.976.10000115N106 E110N106-S108 PolarHBondContact O-N 3.31Å; N106-S108 PolarHBondContact OD1-OG 3.3Å; S108-E110 PolarHBondContact O-N 3.48Å
109Y80.7Confident79.7Confident30 Ų3056.4 Ų56.412%0.11835%0.353CS..  trans-59.3125.6174.3-88.3-78.2000110.4D67 L98 L101 R102 N106 A107 Q113D67-Y109 PolarHBondContact OD2-OH 3.11Å; L98-Y109 WeakPolarHBondContact CD1-O 3.4Å; L101-Y109 HydrophobicContact CB-CD2 3.76Å; L101-Y109 HydrophobicContact CB-CE2 4.06Å; L101-Y109 HydrophobicContact CB-CG 4.11Å; L101-Y109 HydrophobicContact CD1-CD1 4.19Å; L101-Y109 HydrophobicContact CD1-CE1 4.24Å; L101-Y109 HydrophobicContact CD1-CG 4.43Å; L101-Y109 HydrophobicContact CD2-CE2 4.23Å; R102-Y109 VanDerWaalsContact CZ-O 3.3Å; R102-Y109 PolarHBondContact NE-O 3.33Å; R102-Y109 PolarHBondContact NH2-O 3.37Å; N106-Y109 HydrophobicContact CB-CD2 3.53Å; N106-Y109 HydrophobicContact CB-CE2 3.52Å; N106-Y109 VanDerWaalsContact CG-CE2 3.49Å; N106-Y109 VanDerWaalsContact ND2-CE2 3.26Å; N106-Y109 WeakPolarHBondContact ND2-CE2 3.43Å; N106-Y109 WeakPolarHBondContact O-CD2 3.17Å; N106-Y109 PolarHBondContact O-N 3.38Å; N106-Y109 VanDerWaalsContact O-N 3.16Å; A107-Y109 VanDerWaalsContact C-N 3.28Å; A107-Y109 PolarHBondContact O-N 2.98Å; Y109-Q113 VanDerWaalsContact CA-OE1 3.28Å; Y109-Q113 HydrophobicContact CD1-CB 4Å; Y109-Q113 HydrophobicContact CE1-CB 4.47Å
110E81.4Confident78.8Confident99 Ų9955.8 Ų55.846%0.46335%0.346SS..  trans-96.8151.7171.6-70.4-56.1143.600110.6S108 S112 Q113S108-E110 PolarHBondContact O-N 3.48Å; E110-S112 PolarHBondContact O-N 2.92Å; E110-S112 VanDerWaalsContact O-N 3.07Å; E110-Q113 HydrophobicContact CB-CG 4.45Å; E110-Q113 WeakPolarHBondContact O-CB 3.43Å; E110-Q113 PolarHBondContact O-N 3.15Å
111P77.7Confident78Confident76 Ų7659.7 Ų59.749%0.49437%0.367SS..G310 helixtrans-52.2-33.4177.6-25.732.9000113.8L98 Q113 V114L98-P111 HydrophobicContact CD2-CB 4.32Å; L98-P111 HydrophobicContact CD2-CG 3.8Å; P111-Q113 PolarHBondContact O-N 2.92Å; P111-V114 PolarHBondContact O-N 2.85Å
112S79.9Confident77.4Confident112 Ų11264.1 Ų64.178%0.78338%0.384SS*.G310 helixtrans-67-18.1178.954.80000114.3E110E110-S112 PolarHBondContact O-N 2.92Å; E110-S112 VanDerWaalsContact O-N 3.07Å
113Q78.6Confident76.4Confident100 Ų10061.8 Ų61.847%0.46738%0.377SS..G310 helixtrans-89.9-9.7-179.5-64174.5-55.400112.6Y68 Y109 E110 P111 S115Y68-Q113 PolarHBondContact OH-O 2.81Å; Y109-Q113 VanDerWaalsContact CA-OE1 3.28Å; Y109-Q113 HydrophobicContact CD1-CB 4Å; Y109-Q113 HydrophobicContact CE1-CB 4.47Å; E110-Q113 HydrophobicContact CB-CG 4.45Å; E110-Q113 WeakPolarHBondContact O-CB 3.43Å; E110-Q113 PolarHBondContact O-N 3.15Å; P111-Q113 PolarHBondContact O-N 2.92Å; Q113-S115 PolarHBondContact O-N 2.9Å
114V79.1Confident75.4Confident8 Ų860.2 Ų60.25%0.04837%0.368CS..  trans-84104.8179.5-178.10000109.6M97 L98 L101 P111 I116 T119M97-V114 HydrophobicContact CB-CG1 3.84Å; M97-V114 HydrophobicContact CG-CG1 3.48Å; M97-V114 VanDerWaalsContact CG-CG1 3.48Å; L98-V114 HydrophobicContact CB-CG2 4.08Å; L98-V114 HydrophobicContact CD1-CG2 3.95Å; L101-V114 HydrophobicContact CD1-CG2 4.02Å; P111-V114 PolarHBondContact O-N 2.85Å; V114-I116 PolarHBondContact O-N 2.86Å; V114-T119 HydrophobicContact CG1-CG2 4.37Å
115S74.8Confident74.9Confident50 Ų5057.9 Ų57.935%0.3536%0.357SS..  trans-69.6121.5173.31760000110.3Y68 Q113 A117 S118Y68-S115 PolarHBondContact OH-N 2.97Å; Q113-S115 PolarHBondContact O-N 2.9Å; S115-A117 PolarHBondContact O-N 3.07Å; S115-A117 PolarHBondContact OG-N 3.16Å; S115-S118 WeakPolarHBondContact CB-OG 3.33Å; S115-S118 WeakPolarHBondContact O-CB 3.43Å; S115-S118 PolarHBondContact O-N 3.39Å; S115-S118 PolarHBondContact OG-OG 3.14Å
116I69.5Low74.6Confident79 Ų7958 Ų5841%0.40534%0.342SS..G310 helixtrans-59.8-35.8173.7-63.8147.9000110.6Q90 Q94 V114 S118 T119Q90-I116 HydrophobicContact CG-CD1 4.36Å; Q90-I116 HydrophobicContact CG-CG1 4.28Å; Q90-I116 HydrophobicContact CG-CG2 4.35Å; Q94-I116 HydrophobicContact CG-CG1 4.05Å; V114-I116 PolarHBondContact O-N 2.86Å; I116-S118 PolarHBondContact O-N 3.44Å; I116-S118 VanDerWaalsContact O-N 3.14Å; I116-T119 WeakPolarHBondContact O-CB 3.33Å; I116-T119 PolarHBondContact O-N 2.94Å; I116-T119 PolarHBondContact O-OG1 3.32Å
117A66.6Low74.3Confident96 Ų9655.8 Ų55.879%0.79333%0.331SS*.G310 helixtrans-64.6-16.6177.300000112.9S115S115-A117 PolarHBondContact O-N 3.07Å; S115-A117 PolarHBondContact OG-N 3.16Å
118S67.4Low74.2Confident26 Ų2652.3 Ų52.318%0.18230%0.302CS..G310 helixtrans-97.56.3175.5-52.40000112.7N72 M97 S115 I116N72-S118 PolarHBondContact ND2-O 3.12Å; N72-S118 PolarHBondContact OD1-O 2.83Å; M97-S118 WeakPolarHBondContact CE-O 3.07Å; S115-S118 WeakPolarHBondContact CB-OG 3.33Å; S115-S118 WeakPolarHBondContact O-CB 3.43Å; S115-S118 PolarHBondContact O-N 3.39Å; S115-S118 PolarHBondContact OG-OG 3.14Å; I116-S118 PolarHBondContact O-N 3.44Å; I116-S118 VanDerWaalsContact O-N 3.14Å
119T71.5Confident74.2Confident19 Ų1948.7 Ų48.712%0.11728%0.276CS..SBendtrans-98.6154.817369.60000111.3M97 V114 I116 D121M97-T119 HydrophobicContact CB-CG2 4.1Å; M97-T119 HydrophobicContact CE-CG2 3.8Å; M97-T119 HydrophobicContact CG-CG2 4.07Å; V114-T119 HydrophobicContact CG1-CG2 4.37Å; I116-T119 WeakPolarHBondContact O-CB 3.33Å; I116-T119 PolarHBondContact O-N 2.94Å; I116-T119 PolarHBondContact O-OG1 3.32Å; T119-D121 PolarHBondContact O-N 2.79Å
120L71.8Confident73.8Confident10 Ų1049.1 Ų49.15%0.05228%0.284CS..PPolyproline II helixtrans-50.3123.9171.6-17670.3000110.6Y21 N72 M79 Y89 C124 L128Y21-L120 HydrophobicContact CD1-CD1 4.07Å; Y21-L120 HydrophobicContact CG-CD1 4.32Å; N72-L120 PolarHBondContact OD1-N 3.21Å; M79-L120 HydrophobicContact CE-CD2 4.31Å; M79-L120 HydrophobicContact CG-CD2 3.87Å; M79-L120 HydrophobicContact SD-CD2 3.89Å; Y89-L120 VanDerWaalsContact CE1-O 3.23Å; Y89-L120 WeakPolarHBondContact CE1-O 3.27Å; Y89-L120 VanDerWaalsContact CZ-O 3.31Å; Y89-L120 WeakPolarHBondContact OH-CB 3.46Å; Y89-L120 PolarHBondContact OH-O 3.32Å; L120-C124 HydrophobicContact CD1-CB 4.04Å; L120-C124 HydrophobicContact CG-CB 4.44Å; L120-L128 HydrophobicContact CD1-CD1 4.34Å; L120-L128 HydrophobicContact CD2-CD1 4.06Å
121D73.1Confident73.2Confident83 Ų8344.8 Ų44.844%0.44426%0.264SS..PPolyproline II helixtrans-59.8144.3176178.975000111T119 H123 C124 G125T119-D121 PolarHBondContact O-N 2.79Å; D121-H123 VanDerWaalsContact C-N 3.34Å; D121-H123 PolarHBondContact O-N 2.71Å; D121-H123 IonicContact OD1-ND1 2.87Å; D121-H123 WeakPolarHBondContact OD2-CA 3.28Å; D121-H123 VanDerWaalsContact OD2-CB 3.23Å; D121-H123 WeakPolarHBondContact OD2-CB 3.36Å; D121-H123 IonicContact OD2-CG 3.85Å; D121-H123 PolarHBondContact OD2-N 2.92Å; D121-H123 IonicContact OD2-ND1 2.86Å; D121-H123 PolarHBondContact OD2-ND1 2.62Å; D121-C124 HydrophobicContact CB-CB 4.43Å; D121-C124 WeakPolarHBondContact O-CB 3.35Å; D121-C124 PolarHBondContact O-N 2.86Å; D121-C124 VanDerWaalsContact O-N 3.16Å; D121-G125 PolarHBondContact O-N 2.98Å
122W76.3Confident73.3Confident94 Ų9441.1 Ų41.136%0.35624%0.241SC..Hα-helixtrans-67.8-30.3-174.472.4-91.3000113.5P86 Y89 C124 G125 I126P86-W122 HydrophobicContact CB-CE3 4.35Å; P86-W122 HydrophobicContact CB-CZ3 4.36Å; P86-W122 HydrophobicContact CG-CE3 4.08Å; P86-W122 HydrophobicContact CG-CZ3 3.88Å; Y89-W122 HydrophobicContact CD1-CB 3.3Å; Y89-W122 HydrophobicContact CD2-CB 4.4Å; Y89-W122 HydrophobicContact CE1-CB 3.55Å; Y89-W122 HydrophobicContact CG-CB 3.74Å; W122-C124 VanDerWaalsContact C-N 3.33Å; W122-G125 PolarHBondContact O-N 3.41Å; W122-I126 HydrophobicContact CE3-CD1 3.4Å; W122-I126 VanDerWaalsContact CE3-CD1 3.4Å; W122-I126 HydrophobicContact CE3-CG1 4.24Å; W122-I126 HydrophobicContact CZ3-CD1 3.31Å; W122-I126 WeakPolarHBondContact O-CG1 3.25Å; W122-I126 PolarHBondContact O-N 3.16Å
123H69.1Low73.1Confident49 Ų4939.3 Ų39.323%0.22722%0.222CC..Hα-helixtrans-66.2-42.1174-55.382.2000109.6D121 G125 I126 V127D121-H123 VanDerWaalsContact C-N 3.34Å; D121-H123 PolarHBondContact O-N 2.71Å; D121-H123 IonicContact OD1-ND1 2.87Å; D121-H123 WeakPolarHBondContact OD2-CA 3.28Å; D121-H123 VanDerWaalsContact OD2-CB 3.23Å; D121-H123 WeakPolarHBondContact OD2-CB 3.36Å; D121-H123 IonicContact OD2-CG 3.85Å; D121-H123 PolarHBondContact OD2-N 2.92Å; D121-H123 IonicContact OD2-ND1 2.86Å; D121-H123 PolarHBondContact OD2-ND1 2.62Å; H123-G125 VanDerWaalsContact C-N 3.35Å; H123-I126 WeakPolarHBondContact O-CB 3.09Å; H123-I126 PolarHBondContact O-N 3.33Å; H123-V127 WeakPolarHBondContact O-CG2 3.26Å; H123-V127 PolarHBondContact O-N 3.33Å
124C69.9Low72.8Confident5 Ų542.1 Ų42.13%0.03423%0.233CC..Hα-helixtrans-61.4-45.8173.9-172.10000110.9Y21 W29 L120 D121 W122 I126 V127 L128Y21-C124 VanDerWaalsContact CD1-SG 3.54Å; W29-C124 HydrophobicContact CZ2-CB 4.38Å; W29-C124 VanDerWaalsContact CZ2-SG 3.56Å; L120-C124 HydrophobicContact CD1-CB 4.04Å; L120-C124 HydrophobicContact CG-CB 4.44Å; D121-C124 HydrophobicContact CB-CB 4.43Å; D121-C124 WeakPolarHBondContact O-CB 3.35Å; D121-C124 PolarHBondContact O-N 2.86Å; D121-C124 VanDerWaalsContact O-N 3.16Å; W122-C124 VanDerWaalsContact C-N 3.33Å; C124-I126 VanDerWaalsContact C-N 3.29Å; C124-I126 PolarHBondContact O-N 3.36Å; C124-V127 PolarHBondContact O-N 3.34Å; C124-V127 VanDerWaalsContact O-N 3.09Å; C124-L128 VanDerWaalsContact O-CG 3.3Å; C124-L128 WeakPolarHBondContact O-CG 3.44Å; C124-L128 PolarHBondContact O-N 3.39Å
125G75.2Confident72.4Confident0 Ų042.6 Ų42.60%024%0.237CC..Hα-helixtrans-55.2-41.7174.200000113.1M79 I84 D121 W122 H123 L128 S129M79-G125 VanDerWaalsContact SD-CA 3.53Å; I84-G125 VanDerWaalsContact CG1-C 3.43Å; I84-G125 WeakPolarHBondContact CG1-O 3.46Å; D121-G125 PolarHBondContact O-N 2.98Å; W122-G125 PolarHBondContact O-N 3.41Å; H123-G125 VanDerWaalsContact C-N 3.35Å; G125-L128 PolarHBondContact O-N 3.43Å; G125-S129 WeakPolarHBondContact O-CB 3.29Å; G125-S129 PolarHBondContact O-N 3.23Å
126I72.2Confident72.5Confident63 Ų6341.3 Ų41.332%0.32323%0.226SC..Hα-helixtrans-61.4-46.6175.4-75.8176000111I84 W122 H123 C124 L128 S129 S130I84-I126 HydrophobicContact CB-CG1 3.72Å; I84-I126 HydrophobicContact CG1-CG1 4.3Å; I84-I126 HydrophobicContact CG2-CD1 4.37Å; I84-I126 HydrophobicContact CG2-CG1 3.65Å; W122-I126 HydrophobicContact CE3-CD1 3.4Å; W122-I126 VanDerWaalsContact CE3-CD1 3.4Å; W122-I126 HydrophobicContact CE3-CG1 4.24Å; W122-I126 HydrophobicContact CZ3-CD1 3.31Å; W122-I126 WeakPolarHBondContact O-CG1 3.25Å; W122-I126 PolarHBondContact O-N 3.16Å; H123-I126 WeakPolarHBondContact O-CB 3.09Å; H123-I126 PolarHBondContact O-N 3.33Å; C124-I126 VanDerWaalsContact C-N 3.29Å; C124-I126 PolarHBondContact O-N 3.36Å; I126-L128 VanDerWaalsContact C-N 3.32Å; I126-L128 PolarHBondContact O-N 3.47Å; I126-S129 PolarHBondContact O-N 3.14Å; I126-S130 VanDerWaalsContact O-CB 3.3Å; I126-S130 WeakPolarHBondContact O-CB 3.34Å; I126-S130 PolarHBondContact O-N 3.21Å
127V67.8Low72.4Confident12 Ų1240.6 Ų40.67%0.07322%0.223CC..Hα-helixtrans-61.5-45-178.8176.50000110.4W29 M33 W38 H123 C124 S130 A131W29-V127 HydrophobicContact CD2-CG2 4.5Å; W29-V127 HydrophobicContact CE3-CB 4.27Å; W29-V127 HydrophobicContact CE3-CG1 3.96Å; W29-V127 HydrophobicContact CE3-CG2 3.97Å; W29-V127 HydrophobicContact CH2-CG1 4.16Å; W29-V127 HydrophobicContact CZ3-CB 4.07Å; W29-V127 HydrophobicContact CZ3-CG1 3.47Å; W29-V127 VanDerWaalsContact CZ3-CG1 3.47Å; W29-V127 HydrophobicContact CZ3-CG2 4.27Å; M33-V127 HydrophobicContact CE-CG2 4.43Å; M33-V127 HydrophobicContact SD-CG2 3.91Å; W38-V127 HydrophobicContact CZ2-CG1 4.31Å; H123-V127 WeakPolarHBondContact O-CG2 3.26Å; H123-V127 PolarHBondContact O-N 3.33Å; C124-V127 PolarHBondContact O-N 3.34Å; C124-V127 VanDerWaalsContact O-N 3.09Å; V127-S130 PolarHBondContact O-N 3.1Å; V127-A131 WeakPolarHBondContact O-CB 3.48Å; V127-A131 PolarHBondContact O-N 2.65Å
128L76Confident72.6Confident6 Ų637.7 Ų37.73%0.03119%0.192CC..Hα-helixtrans-68.8-40.7-179.9-63.2173.1000113.5Y21 F76 M79 L120 C124 G125 I126 S130 A131 S132 F138Y21-L128 HydrophobicContact CD1-CD1 4.02Å; Y21-L128 HydrophobicContact CE1-CD1 3.42Å; Y21-L128 VanDerWaalsContact CE1-CD1 3.42Å; Y21-L128 HydrophobicContact CE1-CD2 3.57Å; Y21-L128 HydrophobicContact CE1-CG 3.91Å; Y21-L128 WeakPolarHBondContact OH-CD2 3.32Å; F76-L128 HydrophobicContact CD2-CD1 3.95Å; F76-L128 HydrophobicContact CE2-CD1 4.36Å; F76-L128 HydrophobicContact CE2-CD2 4.17Å; M79-L128 HydrophobicContact CB-CB 3.75Å; M79-L128 HydrophobicContact CG-CB 3.82Å; M79-L128 HydrophobicContact CG-CD1 3.9Å; L120-L128 HydrophobicContact CD1-CD1 4.34Å; L120-L128 HydrophobicContact CD2-CD1 4.06Å; C124-L128 VanDerWaalsContact O-CG 3.3Å; C124-L128 WeakPolarHBondContact O-CG 3.44Å; C124-L128 PolarHBondContact O-N 3.39Å; G125-L128 PolarHBondContact O-N 3.43Å; I126-L128 VanDerWaalsContact C-N 3.32Å; I126-L128 PolarHBondContact O-N 3.47Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-A131 PolarHBondContact O-N 2.69Å; L128-S132 WeakPolarHBondContact O-CB 3.44Å; L128-S132 PolarHBondContact O-N 2.96Å; L128-F138 HydrophobicContact CD2-CZ 3.95Å
129S80.5Confident73.2Confident6 Ų636.9 Ų36.94%0.04219%0.185CC..Hα-helixtrans-58.8-46.1172-177.90000110.5K82 G125 I126 S132 D133K82-S129 WeakPolarHBondContact O-CB 3.32Å; K82-S129 PolarHBondContact O-OG 3.11Å; G125-S129 WeakPolarHBondContact O-CB 3.29Å; G125-S129 PolarHBondContact O-N 3.23Å; I126-S129 PolarHBondContact O-N 3.14Å; S129-S132 WeakPolarHBondContact O-CB 3.44Å; S129-S132 PolarHBondContact O-N 2.59Å; S129-D133 PolarHBondContact O-N 2.81Å
130S71.5Confident73.3Confident39 Ų3941.8 Ų41.827%0.27320%0.202SC..Hα-helixtrans-65.6-41177.4-165.70000112.7I126 V127 L128 S132 D133 K134I126-S130 VanDerWaalsContact O-CB 3.3Å; I126-S130 WeakPolarHBondContact O-CB 3.34Å; I126-S130 PolarHBondContact O-N 3.21Å; V127-S130 PolarHBondContact O-N 3.1Å; L128-S130 VanDerWaalsContact C-N 3.31Å; S130-S132 VanDerWaalsContact C-N 3.32Å; S130-S132 PolarHBondContact O-N 3.37Å; S130-D133 PolarHBondContact O-N 2.92Å; S130-K134 WeakPolarHBondContact O-CG 3.35Å; S130-K134 PolarHBondContact O-N 3.04Å; S130-K134 WeakPolarHBondContact OG-CE 3.26Å; S130-K134 PolarHBondContact OG-NZ 3.44Å
131A69.7Low73.3Confident7 Ų743.8 Ų43.86%0.05822%0.22CC..Hα-helixtrans-61.8-42.5174.400000110.9V127 L128 D133 K134 S135 F138V127-A131 WeakPolarHBondContact O-CB 3.48Å; V127-A131 PolarHBondContact O-N 2.65Å; L128-A131 PolarHBondContact O-N 2.69Å; A131-D133 VanDerWaalsContact C-N 3.33Å; A131-D133 PolarHBondContact O-N 3.27Å; A131-K134 PolarHBondContact O-N 3.24Å; A131-S135 WeakPolarHBondContact O-CB 3.33Å; A131-S135 PolarHBondContact O-N 3.28Å; A131-F138 HydrophobicContact CB-CD1 4.16Å; A131-F138 HydrophobicContact CB-CE1 4.22Å; A131-F138 HydrophobicContact CB-CG 4.3Å; A131-F138 HydrophobicContact CB-CZ 4.44Å
132S78Confident73.5Confident0 Ų040.1 Ų40.10%020%0.2CC..Hα-helixtrans-63.3-35.5174.2178.90000113.4L80 L128 S129 S130 R139 K170L80-S132 WeakPolarHBondContact CA-OG 3.32Å; L80-S132 PolarHBondContact O-OG 3.01Å; L80-S132 VanDerWaalsContact O-OG 3.06Å; L128-S132 WeakPolarHBondContact O-CB 3.44Å; L128-S132 PolarHBondContact O-N 2.96Å; S129-S132 WeakPolarHBondContact O-CB 3.44Å; S129-S132 PolarHBondContact O-N 2.59Å; S130-S132 VanDerWaalsContact C-N 3.32Å; S130-S132 PolarHBondContact O-N 3.37Å; S132-R139 VanDerWaalsContact O-CD 3.28Å; S132-R139 WeakPolarHBondContact O-CD 2.87Å; S132-R139 WeakPolarHBondContact O-CG 3.47Å; S132-R139 PolarHBondContact O-NE 3.3Å; S132-K170 VanDerWaalsContact C-NZ 3.31Å; S132-K170 PolarHBondContact O-NZ 3.32Å; S132-K170 VanDerWaalsContact O-NZ 3.16Å; S132-K170 PolarHBondContact OG-NZ 3.19Å
133D77.1Confident73.8Confident73 Ų7336.3 Ų36.339%0.3919%0.187SC..Hα-helixtrans-68.6-37.7175.9-74.9-19.3000112S129 S130 A131 K170S129-D133 PolarHBondContact O-N 2.81Å; S130-D133 PolarHBondContact O-N 2.92Å; A131-D133 VanDerWaalsContact C-N 3.33Å; A131-D133 PolarHBondContact O-N 3.27Å; D133-K170 WeakPolarHBondContact OD1-CE 3.05Å; D133-K170 IonicContact OD1-NZ 3.02Å; D133-K170 PolarHBondContact OD1-NZ 2.91Å
134K71Confident74.1Confident159 Ų15937.7 Ų37.769%0.69120%0.202SC*.Hα-helixtrans-92.5-28.7-172.2-67.1170.6-179.7168.60114.2S130 A131S130-K134 WeakPolarHBondContact O-CG 3.35Å; S130-K134 PolarHBondContact O-N 3.04Å; S130-K134 WeakPolarHBondContact OG-CE 3.26Å; S130-K134 PolarHBondContact OG-NZ 3.44Å; A131-K134 PolarHBondContact O-N 3.24Å
135S72.2Confident74.4Confident18 Ų1838.8 Ų38.813%0.12621%0.208CC..  trans-117.9114.8-171178.30000111.7A131 D137 F138 R139A131-S135 WeakPolarHBondContact O-CB 3.33Å; A131-S135 PolarHBondContact O-N 3.28Å; S135-D137 VanDerWaalsContact C-N 3.31Å; S135-D137 PolarHBondContact OG-N 3.49Å; S135-F138 WeakPolarHBondContact OG-CB 3.24Å; S135-F138 PolarHBondContact OG-N 3.4Å; S135-R139 PolarHBondContact O-N 2.98Å; S135-R139 PolarHBondContact O-NE 3.14Å
136L75.1Confident74.9Confident24 Ų2438.8 Ų38.813%0.12621%0.208CC..Hα-helixtrans-65.2-37.6169.2-17859.7000111.4R139 R140 E225L136-R139 WeakPolarHBondContact O-CB 3.23Å; L136-R139 PolarHBondContact O-N 3.42Å; L136-R140 WeakPolarHBondContact O-CG 3.49Å; L136-R140 PolarHBondContact O-N 2.88Å; L136-E225 HydrophobicContact CD2-CB 3.81Å; L136-E225 HydrophobicContact CD2-CG 4.3Å
137D68.9Low75.4Confident63 Ų6339.6 Ų39.634%0.33721%0.213SC..Hα-helixtrans-67.1-40.1-179.7-65.7-24.8000111.8S135 R139 R140 A141S135-D137 VanDerWaalsContact C-N 3.31Å; S135-D137 PolarHBondContact OG-N 3.49Å; D137-R139 VanDerWaalsContact C-N 3.3Å; D137-R139 PolarHBondContact O-N 2.85Å; D137-R140 PolarHBondContact O-N 3.45Å; D137-A141 WeakPolarHBondContact O-CB 3.23Å; D137-A141 PolarHBondContact O-N 3.17Å
138F71.3Confident75.7Confident35 Ų3541.1 Ų41.115%0.15423%0.227CC..Hα-helixtrans-59.1-42.3171.9-178.9-98.2000111.9F76 L80 L128 A131 S135 T142F76-F138 AromaticContact CE2-CZ 3.95Å; F76-F138 HydrophobicContact CE2-CZ 3.95Å; F76-F138 HydrophobicContact CZ-CZ 4.13Å; L80-F138 HydrophobicContact CD2-CE1 4.48Å; L128-F138 HydrophobicContact CD2-CZ 3.95Å; A131-F138 HydrophobicContact CB-CD1 4.16Å; A131-F138 HydrophobicContact CB-CE1 4.22Å; A131-F138 HydrophobicContact CB-CG 4.3Å; A131-F138 HydrophobicContact CB-CZ 4.44Å; S135-F138 WeakPolarHBondContact OG-CB 3.24Å; S135-F138 PolarHBondContact OG-N 3.4Å; F138-T142 WeakPolarHBondContact O-CB 2.92Å; F138-T142 PolarHBondContact O-N 2.95Å; F138-T142 PolarHBondContact O-OG1 3.3Å
139R78.4Confident75.8Confident9 Ų941 Ų413%0.03423%0.226CC..Hα-helixtrans-61.7-47.5175.2-69.9-177.9-81.2-172-11.6111.4L80 S132 S135 L136 D137 T142 I143 R221 L222L80-R139 HydrophobicContact CD2-CB 4.19Å; L80-R139 HydrophobicContact CD2-CG 3.97Å; S132-R139 VanDerWaalsContact O-CD 3.28Å; S132-R139 WeakPolarHBondContact O-CD 2.87Å; S132-R139 WeakPolarHBondContact O-CG 3.47Å; S132-R139 PolarHBondContact O-NE 3.3Å; S135-R139 PolarHBondContact O-N 2.98Å; S135-R139 PolarHBondContact O-NE 3.14Å; L136-R139 WeakPolarHBondContact O-CB 3.23Å; L136-R139 PolarHBondContact O-N 3.42Å; D137-R139 VanDerWaalsContact C-N 3.3Å; D137-R139 PolarHBondContact O-N 2.85Å; R139-T142 PolarHBondContact O-N 3.2Å; R139-I143 WeakPolarHBondContact O-CB 3.37Å; R139-I143 VanDerWaalsContact O-CG1 3.25Å; R139-I143 WeakPolarHBondContact O-CG1 3.11Å; R139-I143 PolarHBondContact O-N 3.23Å; R139-R221 PolarHBondContact NH1-O 3.36Å; R139-L222 WeakPolarHBondContact CB-O 3.49Å; R139-L222 WeakPolarHBondContact CD-O 3.49Å
140R73.8Confident75.9Confident123 Ų12344.4 Ų44.446%0.46424%0.243SC..Hα-helixtrans-63.2-44179.2-73.3174.2172.7170.3-3.1112.4L136 D137 I143 S144L136-R140 WeakPolarHBondContact O-CG 3.49Å; L136-R140 PolarHBondContact O-N 2.88Å; D137-R140 PolarHBondContact O-N 3.45Å; R140-I143 PolarHBondContact O-N 3.26Å; R140-S144 PolarHBondContact O-N 3.19Å
141A71.2Confident76.2Confident52 Ų5247.7 Ų47.743%0.4327%0.266SS..Hα-helixtrans-59.8-48.517600000110.9D137 I143 S144 V145D137-A141 WeakPolarHBondContact O-CB 3.23Å; D137-A141 PolarHBondContact O-N 3.17Å; A141-I143 VanDerWaalsContact C-N 3.34Å; A141-I143 PolarHBondContact O-N 2.86Å; A141-S144 VanDerWaalsContact O-CB 3.29Å; A141-S144 WeakPolarHBondContact O-CB 3.41Å; A141-S144 PolarHBondContact O-N 3Å; A141-S144 VanDerWaalsContact O-N 3.14Å; A141-V145 WeakPolarHBondContact O-CG2 3.37Å; A141-V145 PolarHBondContact O-N 3.35Å
142T78.7Confident76.5Confident5 Ų548.5 Ų48.53%0.03127%0.269CS..Hα-helixtrans-61.6-42.3177.4-53.90000111.7F76 F77 L80 F138 R139 S144 V145 I146F76-T142 HydrophobicContact CD1-CG2 4.27Å; F76-T142 HydrophobicContact CE1-CG2 3.56Å; F76-T142 HydrophobicContact CZ-CG2 3.89Å; F77-T142 HydrophobicContact CD1-CG2 3.9Å; F77-T142 HydrophobicContact CE1-CG2 4.49Å; L80-T142 HydrophobicContact CD1-CG2 3.59Å; L80-T142 HydrophobicContact CD2-CG2 3.86Å; L80-T142 HydrophobicContact CG-CG2 3.66Å; F138-T142 WeakPolarHBondContact O-CB 2.92Å; F138-T142 PolarHBondContact O-N 2.95Å; F138-T142 PolarHBondContact O-OG1 3.3Å; R139-T142 PolarHBondContact O-N 3.2Å; T142-S144 VanDerWaalsContact C-N 3.3Å; T142-S144 PolarHBondContact O-N 3.42Å; T142-V145 WeakPolarHBondContact O-CB 3.3Å; T142-V145 PolarHBondContact O-N 3.4Å; T142-V145 VanDerWaalsContact O-N 3.11Å; T142-I146 WeakPolarHBondContact O-CG1 3.45Å; T142-I146 PolarHBondContact O-N 3.45Å
143I82.9Confident76.4Confident15 Ų1553.5 Ų53.58%0.07730%0.299CS..Hα-helixtrans-60.1-40.6175.2-74.8170.7000111.6L80 R139 R140 A141 V145 I146 N147 W163 L222 I223L80-I143 HydrophobicContact CD1-CG1 3.9Å; R139-I143 WeakPolarHBondContact O-CB 3.37Å; R139-I143 VanDerWaalsContact O-CG1 3.25Å; R139-I143 WeakPolarHBondContact O-CG1 3.11Å; R139-I143 PolarHBondContact O-N 3.23Å; R140-I143 PolarHBondContact O-N 3.26Å; A141-I143 VanDerWaalsContact C-N 3.34Å; A141-I143 PolarHBondContact O-N 2.86Å; I143-V145 VanDerWaalsContact C-N 3.31Å; I143-V145 PolarHBondContact O-N 2.97Å; I143-I146 PolarHBondContact O-N 3.32Å; I143-N147 PolarHBondContact O-N 3.49Å; I143-N147 PolarHBondContact O-ND2 3.29Å; I143-W163 HydrophobicContact CB-CH2 4.47Å; I143-W163 HydrophobicContact CD1-CH2 4.47Å; I143-W163 HydrophobicContact CG1-CH2 4.13Å; I143-W163 HydrophobicContact CG2-CH2 3.73Å; I143-W163 HydrophobicContact CG2-CZ2 3.86Å; I143-L222 HydrophobicContact CD1-CB 4.01Å; I143-I223 HydrophobicContact CD1-CG2 3.45Å; I143-I223 VanDerWaalsContact CD1-CG2 3.45Å
144S74.2Confident76.3Confident78 Ų7855.4 Ų55.455%0.54531%0.309SS..Hα-helixtrans-59.3-42.6173.6-168.30000111.5R140 A141 T142 N147 A148R140-S144 PolarHBondContact O-N 3.19Å; A141-S144 VanDerWaalsContact O-CB 3.29Å; A141-S144 WeakPolarHBondContact O-CB 3.41Å; A141-S144 PolarHBondContact O-N 3Å; A141-S144 VanDerWaalsContact O-N 3.14Å; T142-S144 VanDerWaalsContact C-N 3.3Å; T142-S144 PolarHBondContact O-N 3.42Å; S144-N147 PolarHBondContact O-N 3.41Å; S144-A148 WeakPolarHBondContact O-CB 3.36Å; S144-A148 PolarHBondContact O-N 2.74Å
145V77.2Confident76.8Confident27 Ų2749.2 Ų49.216%0.16428%0.283CS..Hα-helixtrans-63.2-41.8175-179.50000111.7A17 F77 A141 T142 I143 N147 A148 A149A17-V145 HydrophobicContact CB-CG1 4.1Å; F77-V145 HydrophobicContact CE1-CB 4.17Å; F77-V145 HydrophobicContact CE1-CG1 3.75Å; F77-V145 HydrophobicContact CZ-CG1 3.95Å; A141-V145 WeakPolarHBondContact O-CG2 3.37Å; A141-V145 PolarHBondContact O-N 3.35Å; T142-V145 WeakPolarHBondContact O-CB 3.3Å; T142-V145 PolarHBondContact O-N 3.4Å; T142-V145 VanDerWaalsContact O-N 3.11Å; I143-V145 VanDerWaalsContact C-N 3.31Å; I143-V145 PolarHBondContact O-N 2.97Å; V145-N147 VanDerWaalsContact C-N 3.33Å; V145-N147 PolarHBondContact O-N 2.97Å; V145-A148 PolarHBondContact O-N 3.48Å; V145-A149 WeakPolarHBondContact O-CB 3.3Å; V145-A149 PolarHBondContact O-N 3.1Å
146I85.2Confident77.4Confident0 Ų051.2 Ų51.20%029%0.292CS..Hα-helixtrans-59.4-47.1175-58.5169000110F77 L80 T142 I143 A148 A149 M150 A159 W163 L166F77-I146 HydrophobicContact CB-CD1 3.89Å; F77-I146 HydrophobicContact CB-CG1 4.04Å; F77-I146 HydrophobicContact CD1-CD1 4.03Å; F77-I146 HydrophobicContact CD1-CG1 3.37Å; F77-I146 HydrophobicContact CD2-CD1 4.39Å; F77-I146 HydrophobicContact CD2-CG1 3.68Å; F77-I146 HydrophobicContact CD2-CG2 4.46Å; F77-I146 HydrophobicContact CE1-CB 4.46Å; F77-I146 HydrophobicContact CE1-CG1 3.53Å; F77-I146 HydrophobicContact CE2-CB 4.31Å; F77-I146 HydrophobicContact CE2-CG1 3.8Å; F77-I146 HydrophobicContact CE2-CG2 4.37Å; F77-I146 HydrophobicContact CG-CD1 3.89Å; F77-I146 HydrophobicContact CG-CG1 3.44Å; F77-I146 VanDerWaalsContact CG-CG1 3.44Å; F77-I146 HydrophobicContact CZ-CB 4.27Å; F77-I146 HydrophobicContact CZ-CG1 3.73Å; L80-I146 HydrophobicContact CD1-CD1 3.95Å; T142-I146 WeakPolarHBondContact O-CG1 3.45Å; T142-I146 PolarHBondContact O-N 3.45Å; I143-I146 PolarHBondContact O-N 3.32Å; I146-A148 VanDerWaalsContact C-N 3.35Å; I146-A148 PolarHBondContact O-N 3.4Å; I146-A149 WeakPolarHBondContact O-CB 3.04Å; I146-A149 PolarHBondContact O-N 3.01Å; I146-M150 PolarHBondContact O-N 3.43Å; I146-M150 VanDerWaalsContact O-N 3.16Å; I146-A159 HydrophobicContact CG2-CB 4.09Å; I146-W163 VanDerWaalsContact CG2-CD1 3.43Å; I146-W163 HydrophobicContact CG2-CD2 4.23Å; I146-W163 HydrophobicContact CG2-CG 4.07Å; I146-W163 HydrophobicContact CG2-CZ2 4.41Å; I146-L166 HydrophobicContact CD1-CD1 3.8Å
147N82.4Confident78.2Confident81 Ų8155.2 Ų55.243%0.43331%0.308SS..Hα-helixtrans-64-38.8179.4-72-24000112.4I143 S144 V145 M150 W163I143-N147 PolarHBondContact O-N 3.49Å; I143-N147 PolarHBondContact O-ND2 3.29Å; S144-N147 PolarHBondContact O-N 3.41Å; V145-N147 VanDerWaalsContact C-N 3.33Å; V145-N147 PolarHBondContact O-N 2.97Å; N147-M150 WeakPolarHBondContact O-CB 3.46Å; N147-M150 PolarHBondContact O-N 3.49Å; N147-W163 VanDerWaalsContact OD1-CZ2 3.3Å; N147-W163 WeakPolarHBondContact OD1-CZ2 3.24Å; N147-W163 PolarHBondContact OD1-NE1 3.29Å
148A74.8Confident79.2Confident43 Ų4352.2 Ų52.236%0.35529%0.292SS..Hα-helixtrans-64-42.217400000111.3S144 V145 I146 M150 S151S144-A148 WeakPolarHBondContact O-CB 3.36Å; S144-A148 PolarHBondContact O-N 2.74Å; V145-A148 PolarHBondContact O-N 3.48Å; I146-A148 VanDerWaalsContact C-N 3.35Å; I146-A148 PolarHBondContact O-N 3.4Å; A148-M150 PolarHBondContact O-N 2.98Å; A148-S151 PolarHBondContact O-N 3.02Å
149A76.7Confident80Confident3 Ų350.6 Ų50.63%0.02529%0.285CS..Hα-helixtrans-62.9-26.6178.700000113.3L73 F77 V145 I146 S151 I152 F155 D156 A159L73-A149 HydrophobicContact CD2-CB 4.36Å; F77-A149 HydrophobicContact CZ-CB 4.38Å; V145-A149 WeakPolarHBondContact O-CB 3.3Å; V145-A149 PolarHBondContact O-N 3.1Å; I146-A149 WeakPolarHBondContact O-CB 3.04Å; I146-A149 PolarHBondContact O-N 3.01Å; A149-S151 PolarHBondContact O-N 3.36Å; A149-I152 PolarHBondContact O-N 3.14Å; A149-I152 VanDerWaalsContact O-N 3.07Å; A149-F155 HydrophobicContact CB-CB 4.37Å; A149-F155 CarbonylContact O-C 3.54Å; A149-D156 PolarHBondContact O-N 3.09Å; A149-A159 HydrophobicContact CB-CB 3.84Å
150M83Confident80.7Confident79 Ų7952.2 Ų52.239%0.38930%0.301SS..THydrogen-bonded Turntrans-59-25.5172.3-67.3-66.8-59.400113.3I146 N147 A148 A159 A160I146-M150 PolarHBondContact O-N 3.43Å; I146-M150 VanDerWaalsContact O-N 3.16Å; N147-M150 WeakPolarHBondContact O-CB 3.46Å; N147-M150 PolarHBondContact O-N 3.49Å; A148-M150 PolarHBondContact O-N 2.98Å; M150-A159 HydrophobicContact CG-CB 3.95Å; M150-A159 HydrophobicContact SD-CB 3.52Å; M150-A159 VanDerWaalsContact SD-CB 3.52Å; M150-A160 HydrophobicContact CE-CB 4.12Å; M150-A160 HydrophobicContact SD-CB 4.05Å; M150-A160 PolarHBondContact SD-N 3.46Å; M150-A160 VanDerWaalsContact SD-N 3.35Å
151S78.7Confident81.7Confident108 Ų10848.4 Ų48.476%0.75529%0.288SS*.THydrogen-bonded Turntrans-91.8-0.8179.6-55.90000113.3A148 A149A148-S151 PolarHBondContact O-N 3.02Å; A149-S151 PolarHBondContact O-N 3.36Å
152I75.7Confident82.8Confident23 Ų2345.9 Ų45.912%0.11827%0.267CS..SBendtrans-104.7121.6-174.6-59.5176.4000109.9P10 A14 A149 N154 F155 D156P10-I152 HydrophobicContact CB-CB 4.44Å; P10-I152 HydrophobicContact CB-CG1 4.38Å; P10-I152 HydrophobicContact CB-CG2 3.44Å; P10-I152 VanDerWaalsContact CB-CG2 3.44Å; P10-I152 HydrophobicContact CG-CG2 3.61Å; A14-I152 HydrophobicContact CB-CD1 4.02Å; A149-I152 PolarHBondContact O-N 3.14Å; A149-I152 VanDerWaalsContact O-N 3.07Å; I152-N154 PolarHBondContact O-N 3.16Å; I152-F155 HydrophobicContact CB-CB 4.19Å; I152-F155 HydrophobicContact CB-CD2 4.34Å; I152-F155 HydrophobicContact CG2-CB 4.28Å; I152-F155 HydrophobicContact CG2-CD2 3.54Å; I152-F155 HydrophobicContact CG2-CE2 4.29Å; I152-F155 HydrophobicContact CG2-CG 4.3Å; I152-F155 PolarHBondContact O-N 2.84Å; I152-D156 PolarHBondContact O-N 3.23Å
153V75.9Confident83.5Confident106 Ų10647.5 Ų47.564%0.64227%0.273SS*.THydrogen-bonded Turntrans-54.5132.5174.2-1780000110.1F155V153-F155 VanDerWaalsContact C-N 3.27Å; V153-F155 PolarHBondContact O-N 3.38Å
154N75.2Confident84Confident112 Ų11251.4 Ų51.460%0.59929%0.293SS*.THydrogen-bonded Turntrans81.2-21.1-174.8-50.2-41.1000115.4I152 D156I152-N154 PolarHBondContact O-N 3.16Å; N154-D156 PolarHBondContact N-OD1 2.87Å
155F81.7Confident84.9Confident30 Ų3050 Ų5013%0.13228%0.28CS..THydrogen-bonded Turntrans-103.7-18.8177.5-66.2-90.5000112.8A14 L18 I69 G70 L73 A149 I152 V153 K157 V158 A159A14-F155 HydrophobicContact CB-CD1 3.97Å; A14-F155 HydrophobicContact CB-CD2 4.12Å; A14-F155 HydrophobicContact CB-CE1 3.84Å; A14-F155 HydrophobicContact CB-CE2 3.98Å; A14-F155 HydrophobicContact CB-CG 4.09Å; A14-F155 HydrophobicContact CB-CZ 3.84Å; L18-F155 HydrophobicContact CD1-CE1 3.69Å; L18-F155 HydrophobicContact CD1-CZ 4.29Å; I69-F155 HydrophobicContact CG2-CE1 4.2Å; I69-F155 HydrophobicContact CG2-CZ 4.08Å; G70-F155 VanDerWaalsContact CA-CE1 3.48Å; L73-F155 HydrophobicContact CD2-CD1 3.75Å; L73-F155 HydrophobicContact CD2-CE1 4.21Å; A149-F155 HydrophobicContact CB-CB 4.37Å; A149-F155 CarbonylContact O-C 3.54Å; I152-F155 HydrophobicContact CB-CB 4.19Å; I152-F155 HydrophobicContact CB-CD2 4.34Å; I152-F155 HydrophobicContact CG2-CB 4.28Å; I152-F155 HydrophobicContact CG2-CD2 3.54Å; I152-F155 HydrophobicContact CG2-CE2 4.29Å; I152-F155 HydrophobicContact CG2-CG 4.3Å; I152-F155 PolarHBondContact O-N 2.84Å; V153-F155 VanDerWaalsContact C-N 3.27Å; V153-F155 PolarHBondContact O-N 3.38Å; F155-K157 VanDerWaalsContact C-N 3.26Å; F155-K157 PolarHBondContact O-N 3.06Å; F155-V158 WeakPolarHBondContact O-CB 3.35Å; F155-V158 PolarHBondContact O-N 2.89Å; F155-A159 WeakPolarHBondContact O-CB 3.28Å; F155-A159 PolarHBondContact O-N 3.3Å
156D84.6Confident85.6Confident59 Ų5948.8 Ų48.832%0.31627%0.272SS..Hα-helixtrans-49.5-46.2174.665.9-45.6000112.2A149 I152 N154 A159 A160A149-D156 PolarHBondContact O-N 3.09Å; I152-D156 PolarHBondContact O-N 3.23Å; N154-D156 PolarHBondContact N-OD1 2.87Å; D156-A159 PolarHBondContact O-N 2.87Å; D156-A160 VanDerWaalsContact O-CB 3.26Å; D156-A160 WeakPolarHBondContact O-CB 3.42Å; D156-A160 PolarHBondContact O-N 3.26Å
157K91.1Very high86Confident109 Ų10955 Ų5547%0.47430%0.295SS..Hα-helixtrans-68.9-36.3178.5-62.6-178.1-173.51720112.9V103 F155 Q161V103-K157 HydrophobicContact CB-CB 4.29Å; V103-K157 HydrophobicContact CG2-CB 4.44Å; V103-K157 WeakPolarHBondContact O-CB 3.34Å; V103-K157 WeakPolarHBondContact O-CD 3.25Å; F155-K157 VanDerWaalsContact C-N 3.26Å; F155-K157 PolarHBondContact O-N 3.06Å; K157-Q161 VanDerWaalsContact O-CB 3.23Å; K157-Q161 WeakPolarHBondContact O-CB 3.26Å; K157-Q161 PolarHBondContact O-N 3.16Å
158V89.7Confident86.4Confident0 Ų052.9 Ų52.90%028%0.283CS..Hα-helixtrans-66.3-47.9175.4173.40000110.1G70 F100 V103 Q104 F155 Q161 A162G70-V158 WeakPolarHBondContact O-CG1 3.48Å; F100-V158 HydrophobicContact CD1-CG1 3.88Å; F100-V158 HydrophobicContact CE1-CG1 4.25Å; V103-V158 HydrophobicContact CG2-CG2 4.4Å; Q104-V158 HydrophobicContact CG-CG2 3.4Å; Q104-V158 VanDerWaalsContact CG-CG2 3.4Å; F155-V158 WeakPolarHBondContact O-CB 3.35Å; F155-V158 PolarHBondContact O-N 2.89Å; V158-Q161 PolarHBondContact O-N 3.26Å; V158-A162 WeakPolarHBondContact O-CB 3.49Å; V158-A162 PolarHBondContact O-N 3.3Å
159A88.9Confident87.1Confident0 Ų051.3 Ų51.30%027%0.269CS..Hα-helixtrans-63.3-43.5179.400000111.4I146 A149 M150 F155 D156 Q161 A162 W163I146-A159 HydrophobicContact CG2-CB 4.09Å; A149-A159 HydrophobicContact CB-CB 3.84Å; M150-A159 HydrophobicContact CG-CB 3.95Å; M150-A159 HydrophobicContact SD-CB 3.52Å; M150-A159 VanDerWaalsContact SD-CB 3.52Å; F155-A159 WeakPolarHBondContact O-CB 3.28Å; F155-A159 PolarHBondContact O-N 3.3Å; D156-A159 PolarHBondContact O-N 2.87Å; A159-Q161 VanDerWaalsContact C-N 3.34Å; A159-Q161 PolarHBondContact O-N 2.97Å; A159-A162 PolarHBondContact O-N 3.43Å; A159-W163 PolarHBondContact O-N 2.88Å
160A93.4Very high87.4Confident44 Ų4452.5 Ų52.536%0.36427%0.274SS..Hα-helixtrans-61-43.3174.500000111.6M150 D156 W163 L164M150-A160 HydrophobicContact CE-CB 4.12Å; M150-A160 HydrophobicContact SD-CB 4.05Å; M150-A160 PolarHBondContact SD-N 3.46Å; M150-A160 VanDerWaalsContact SD-N 3.35Å; D156-A160 VanDerWaalsContact O-CB 3.26Å; D156-A160 WeakPolarHBondContact O-CB 3.42Å; D156-A160 PolarHBondContact O-N 3.26Å; A160-W163 PolarHBondContact O-N 3.45Å; A160-L164 PolarHBondContact O-N 2.65Å
161Q94.5Very high87.7Confident42 Ų4248.8 Ų48.820%0.19626%0.256CS..Hα-helixtrans-64.7-39.3175.9-17662.418.200111.9F100 V103 K157 V158 A159 L164 L165F100-Q161 HydrophobicContact CD1-CB 4.23Å; F100-Q161 HydrophobicContact CD1-CG 4Å; F100-Q161 HydrophobicContact CE1-CB 4.04Å; F100-Q161 HydrophobicContact CE1-CG 3.84Å; V103-Q161 HydrophobicContact CG1-CB 4.2Å; V103-Q161 HydrophobicContact CG1-CG 4.04Å; V103-Q161 HydrophobicContact CG2-CB 4.11Å; V103-Q161 HydrophobicContact CG2-CG 4.37Å; K157-Q161 VanDerWaalsContact O-CB 3.23Å; K157-Q161 WeakPolarHBondContact O-CB 3.26Å; K157-Q161 PolarHBondContact O-N 3.16Å; V158-Q161 PolarHBondContact O-N 3.26Å; A159-Q161 VanDerWaalsContact C-N 3.34Å; A159-Q161 PolarHBondContact O-N 2.97Å; Q161-L164 PolarHBondContact O-N 2.85Å; Q161-L165 HydrophobicContact CG-CD1 4.05Å; Q161-L165 WeakPolarHBondContact O-CB 3.35Å; Q161-L165 VanDerWaalsContact O-CG 3.25Å; Q161-L165 WeakPolarHBondContact O-CG 3.46Å; Q161-L165 PolarHBondContact O-N 3.23Å
162A93.5Very high87.9Confident0 Ų047.7 Ų47.70%024%0.244CC..Hα-helixtrans-64.2-46.3176.100000111.1F77 F100 V158 A159 L164 L165 L166F77-A162 HydrophobicContact CB-CB 3.86Å; F77-A162 HydrophobicContact CD2-CB 3.72Å; F77-A162 HydrophobicContact CG-CB 4.28Å; F100-A162 HydrophobicContact CE1-CB 4.2Å; F100-A162 HydrophobicContact CZ-CB 4.36Å; V158-A162 WeakPolarHBondContact O-CB 3.49Å; V158-A162 PolarHBondContact O-N 3.3Å; A159-A162 PolarHBondContact O-N 3.43Å; A162-L164 VanDerWaalsContact C-N 3.34Å; A162-L164 PolarHBondContact O-N 3.38Å; A162-L165 PolarHBondContact O-N 2.92Å; A162-L166 WeakPolarHBondContact O-CB 3.43Å; A162-L166 VanDerWaalsContact O-CG 3.25Å; A162-L166 WeakPolarHBondContact O-CG 3.43Å; A162-L166 PolarHBondContact O-N 3.16Å
163W93.9Very high88.3Confident39 Ų3947 Ų4715%0.14824%0.244CC..Hα-helixtrans-56.1-47.6173.5-88.7127.1000112I143 I146 N147 A159 A160 L165 L166 R167 Y219I143-W163 HydrophobicContact CB-CH2 4.47Å; I143-W163 HydrophobicContact CD1-CH2 4.47Å; I143-W163 HydrophobicContact CG1-CH2 4.13Å; I143-W163 HydrophobicContact CG2-CH2 3.73Å; I143-W163 HydrophobicContact CG2-CZ2 3.86Å; I146-W163 VanDerWaalsContact CG2-CD1 3.43Å; I146-W163 HydrophobicContact CG2-CD2 4.23Å; I146-W163 HydrophobicContact CG2-CG 4.07Å; I146-W163 HydrophobicContact CG2-CZ2 4.41Å; N147-W163 VanDerWaalsContact OD1-CZ2 3.3Å; N147-W163 WeakPolarHBondContact OD1-CZ2 3.24Å; N147-W163 PolarHBondContact OD1-NE1 3.29Å; A159-W163 PolarHBondContact O-N 2.88Å; A160-W163 PolarHBondContact O-N 3.45Å; W163-L165 VanDerWaalsContact C-N 3.31Å; W163-L165 PolarHBondContact O-N 3.45Å; W163-L166 PolarHBondContact O-N 3.32Å; W163-R167 PolarHBondContact O-N 3.26Å; W163-Y219 AromaticContact CE3-CD1 3.72Å; W163-Y219 HydrophobicContact CE3-CD1 3.72Å; W163-Y219 HydrophobicContact CE3-CD2 4.23Å; W163-Y219 AromaticContact CE3-CE1 3.44Å; W163-Y219 HydrophobicContact CE3-CE1 3.44Å; W163-Y219 VanDerWaalsContact CE3-CE1 3.44Å; W163-Y219 AromaticContact CE3-CE2 3.96Å; W163-Y219 HydrophobicContact CE3-CE2 3.96Å; W163-Y219 HydrophobicContact CE3-CG 4.1Å; W163-Y219 AromaticContact CE3-CZ 3.54Å; W163-Y219 AromaticContact CZ3-CD1 3.6Å; W163-Y219 HydrophobicContact CZ3-CD1 3.6Å; W163-Y219 AromaticContact CZ3-CD2 3.91Å; W163-Y219 HydrophobicContact CZ3-CD2 3.91Å; W163-Y219 AromaticContact CZ3-CE1 3.84Å; W163-Y219 HydrophobicContact CZ3-CE1 3.84Å; W163-Y219 HydrophobicContact CZ3-CE2 4.11Å; W163-Y219 AromaticContact CZ3-CG 3.62Å; W163-Y219 HydrophobicContact CZ3-CG 3.62Å; W163-Y219 VanDerWaalsContact O-CE1 3.32Å; W163-Y219 WeakPolarHBondContact O-CE1 3.16Å; W163-Y219 PolarHBondContact O-OH 3.04Å
164L93.4Very high88.9Confident97 Ų9742.2 Ų42.251%0.50821%0.214SC..Hα-helixtrans-57.2-45177.4-179.364.7000111.9A160 Q161 A162 R167A160-L164 PolarHBondContact O-N 2.65Å; Q161-L164 PolarHBondContact O-N 2.85Å; A162-L164 VanDerWaalsContact C-N 3.34Å; A162-L164 PolarHBondContact O-N 3.38Å; L164-R167 WeakPolarHBondContact O-CB 3.41Å; L164-R167 WeakPolarHBondContact O-CG 3.39Å; L164-R167 PolarHBondContact O-N 3.02Å
165L92.8Very high89.5Confident49 Ų4937.2 Ų37.226%0.25719%0.189SC..Hα-helixtrans-75.2-22.1-179.1-68.7172.8000113.7M78 F100 Q161 A162 W163 R167M78-L165 HydrophobicContact CE-CB 3.61Å; M78-L165 HydrophobicContact CE-CD1 4.49Å; M78-L165 HydrophobicContact SD-CB 3.57Å; M78-L165 VanDerWaalsContact SD-CB 3.57Å; M78-L165 HydrophobicContact SD-CD1 3.95Å; M78-L165 HydrophobicContact SD-CG 4.44Å; F100-L165 HydrophobicContact CE1-CD1 4.43Å; F100-L165 HydrophobicContact CZ-CD1 4.08Å; Q161-L165 HydrophobicContact CG-CD1 4.05Å; Q161-L165 WeakPolarHBondContact O-CB 3.35Å; Q161-L165 VanDerWaalsContact O-CG 3.25Å; Q161-L165 WeakPolarHBondContact O-CG 3.46Å; Q161-L165 PolarHBondContact O-N 3.23Å; A162-L165 PolarHBondContact O-N 2.92Å; W163-L165 VanDerWaalsContact C-N 3.31Å; W163-L165 PolarHBondContact O-N 3.45Å; L165-R167 VanDerWaalsContact C-N 3.33Å
166L93.4Very high89.8Confident1 Ų137.8 Ų37.81%0.00519%0.193CC..Hα-helixtrans-84.9-3.7176-74.2171.9000113.2M78 L80 I146 A162 W163 F168 A169 Y219 L222M78-L166 HydrophobicContact CE-CD2 4.35Å; M78-L166 HydrophobicContact SD-CG 4.41Å; L80-L166 HydrophobicContact CB-CD2 4.03Å; L80-L166 HydrophobicContact CD1-CD1 4.21Å; I146-L166 HydrophobicContact CD1-CD1 3.8Å; A162-L166 WeakPolarHBondContact O-CB 3.43Å; A162-L166 VanDerWaalsContact O-CG 3.25Å; A162-L166 WeakPolarHBondContact O-CG 3.43Å; A162-L166 PolarHBondContact O-N 3.16Å; W163-L166 PolarHBondContact O-N 3.32Å; L166-F168 PolarHBondContact O-N 3.5Å; L166-A169 HydrophobicContact CB-CB 4.42Å; L166-A169 HydrophobicContact CD2-CB 4.02Å; L166-A169 WeakPolarHBondContact O-CB 3.48Å; L166-A169 PolarHBondContact O-N 2.99Å; L166-Y219 HydrophobicContact CB-CE1 4.45Å; L166-L222 HydrophobicContact CB-CD1 4.2Å; L166-L222 HydrophobicContact CD2-CD1 4.28Å
167R92.5Very high90Very high129 Ų12935 Ų3549%0.48718%0.178SC..THydrogen-bonded Turntrans-58.5126.4173.2-69.9-179.269.4164.31.1109.9W163 L164 L165 A169 P218 Y219W163-R167 PolarHBondContact O-N 3.26Å; L164-R167 WeakPolarHBondContact O-CB 3.41Å; L164-R167 WeakPolarHBondContact O-CG 3.39Å; L164-R167 PolarHBondContact O-N 3.02Å; L165-R167 VanDerWaalsContact C-N 3.33Å; R167-A169 PolarHBondContact O-N 3.43Å; R167-P218 HydrophobicContact CB-CB 4.17Å; R167-P218 HydrophobicContact CG-CB 4.03Å; R167-Y219 HydrophobicContact CB-CE1 4.29Å; R167-Y219 HydrophobicContact CG-CE1 3.61Å; R167-Y219 WeakPolarHBondContact CG-OH 3.4Å
168F90.9Very high90Very high38 Ų3831.2 Ų31.217%0.16716%0.163CC..THydrogen-bonded Turntrans58.424.5-174-56-84.2000114.4L166 K170 M171 T172 A175 L178 W209 P218L166-F168 PolarHBondContact O-N 3.5Å; F168-K170 PolarHBondContact O-N 3.1Å; F168-M171 HydrophobicContact CB-CB 4.47Å; F168-M171 CarbonylContact O-C 3.6Å; F168-M171 WeakPolarHBondContact O-CA 3.43Å; F168-M171 PolarHBondContact O-N 2.96Å; F168-T172 PolarHBondContact O-N 2.98Å; F168-T172 VanDerWaalsContact O-N 3.15Å; F168-A175 HydrophobicContact CB-CB 3.7Å; F168-A175 HydrophobicContact CD1-CB 3.51Å; F168-A175 HydrophobicContact CD2-CB 3.97Å; F168-A175 HydrophobicContact CE1-CB 3.97Å; F168-A175 HydrophobicContact CE2-CB 4.43Å; F168-A175 HydrophobicContact CG-CB 3.47Å; F168-A175 VanDerWaalsContact CG-CB 3.47Å; F168-A175 HydrophobicContact CZ-CB 4.42Å; F168-L178 HydrophobicContact CE1-CD1 4.31Å; F168-W209 HydrophobicContact CD1-CH2 4.04Å; F168-W209 HydrophobicContact CD1-CZ3 4.27Å; F168-W209 AromaticContact CE1-CH2 3.16Å; F168-W209 HydrophobicContact CE1-CH2 3.16Å; F168-W209 AromaticContact CE1-CZ2 3.94Å; F168-W209 HydrophobicContact CE1-CZ2 3.94Å; F168-W209 AromaticContact CE1-CZ3 3.76Å; F168-W209 HydrophobicContact CE1-CZ3 3.76Å; F168-W209 AromaticContact CZ-CH2 3.71Å; F168-W209 HydrophobicContact CZ-CH2 3.71Å; F168-W209 HydrophobicContact CZ-CZ2 4.21Å; F168-P218 WeakPolarHBondContact CA-O 3.47Å; F168-P218 PolarHBondContact N-O 3.34Å
169A89.1Confident89.9Confident9 Ų935.2 Ų35.27%0.07418%0.184CC..THydrogen-bonded Turntrans-52.9133.1169.500000110.5L166 R167 M171 L222L166-A169 HydrophobicContact CB-CB 4.42Å; L166-A169 HydrophobicContact CD2-CB 4.02Å; L166-A169 WeakPolarHBondContact O-CB 3.48Å; L166-A169 PolarHBondContact O-N 2.99Å; R167-A169 PolarHBondContact O-N 3.43Å; A169-M171 PolarHBondContact O-N 3.45Å; A169-L222 HydrophobicContact CB-CD1 3.91Å; A169-L222 HydrophobicContact CB-CD2 3.93Å; A169-L222 HydrophobicContact CB-CG 4.12Å
170K84.4Confident89.9Confident29 Ų2939.4 Ų39.413%0.12620%0.2CC..THydrogen-bonded Turntrans584.1-171.8-55.3-177.9175.3175.30114.8L80 S132 D133 F168 R221 L222L80-K170 WeakPolarHBondContact O-CE 3.25Å; L80-K170 PolarHBondContact O-NZ 3.25Å; S132-K170 VanDerWaalsContact C-NZ 3.31Å; S132-K170 PolarHBondContact O-NZ 3.32Å; S132-K170 VanDerWaalsContact O-NZ 3.16Å; S132-K170 PolarHBondContact OG-NZ 3.19Å; D133-K170 WeakPolarHBondContact OD1-CE 3.05Å; D133-K170 IonicContact OD1-NZ 3.02Å; D133-K170 PolarHBondContact OD1-NZ 2.91Å; F168-K170 PolarHBondContact O-N 3.1Å; K170-R221 VanDerWaalsContact CB-CD 3.47Å; K170-R221 HydrophobicContact CB-CG 3.98Å; K170-R221 WeakPolarHBondContact O-CD 3.18Å; K170-R221 PolarHBondContact O-NH1 3.21Å; K170-L222 HydrophobicContact CD-CD2 4.49Å
171M88.2Confident89.7Confident0 Ų037.3 Ų37.30%018%0.183CC..  trans-125.321.1-180-59.5178.7-71.900111.7F168 A169 G173 F174 A175 P218 I220 R221 Y231F168-M171 HydrophobicContact CB-CB 4.47Å; F168-M171 CarbonylContact O-C 3.6Å; F168-M171 WeakPolarHBondContact O-CA 3.43Å; F168-M171 PolarHBondContact O-N 2.96Å; A169-M171 PolarHBondContact O-N 3.45Å; M171-G173 PolarHBondContact O-N 2.74Å; M171-F174 HydrophobicContact CB-CB 4.44Å; M171-F174 WeakPolarHBondContact O-CB 3.3Å; M171-F174 PolarHBondContact O-N 3.2Å; M171-A175 PolarHBondContact O-N 3.36Å; M171-P218 WeakPolarHBondContact CE-O 3.33Å; M171-I220 HydrophobicContact CE-CG2 3.72Å; M171-I220 HydrophobicContact SD-CG2 3.28Å; M171-I220 WeakPolarHBondContact SD-CG2 3.47Å; M171-R221 HydrophobicContact CE-CB 3.83Å; M171-R221 HydrophobicContact CG-CB 3.39Å; M171-R221 HydrophobicContact CG-CG 4.14Å; M171-R221 HydrophobicContact SD-CB 3.32Å; M171-R221 WeakPolarHBondContact SD-CB 3.2Å; M171-Y231 HydrophobicContact CB-CG 4.46Å; M171-Y231 HydrophobicContact CG-CD1 4.48Å; M171-Y231 HydrophobicContact CG-CD2 3.98Å; M171-Y231 HydrophobicContact CG-CG 3.82Å; M171-Y231 HydrophobicContact SD-CD2 3.75Å; M171-Y231 HydrophobicContact SD-CE2 3.95Å; M171-Y231 HydrophobicContact SD-CG 4.04Å
172T84Confident89.5Confident85 Ų8538.2 Ų38.252%0.52119%0.188SC..Hα-helixtrans-56.6-39.6-175.5-46.80000111.7F168 F174 A175 L176F168-T172 PolarHBondContact O-N 2.98Å; F168-T172 VanDerWaalsContact O-N 3.15Å; T172-F174 PolarHBondContact O-N 3.43Å; T172-A175 WeakPolarHBondContact O-CB 3.42Å; T172-A175 PolarHBondContact O-N 3.06Å; T172-L176 HydrophobicContact CG2-CD1 4.5Å; T172-L176 VanDerWaalsContact O-CG 3.25Å; T172-L176 WeakPolarHBondContact O-CG 3.49Å; T172-L176 PolarHBondContact O-N 2.9Å
173G83.8Confident89.1Confident10 Ų1043.2 Ų43.210%0.10321%0.214CC..Hα-helixtrans-60-43.4175.600000113.1M171 L176 I177M171-G173 PolarHBondContact O-N 2.74Å; G173-L176 PolarHBondContact O-N 3.23Å; G173-I177 WeakPolarHBondContact O-CG1 3.41Å; G173-I177 PolarHBondContact O-N 3.02Å; G173-I177 VanDerWaalsContact O-N 3.11Å
174F88.1Confident88.6Confident4 Ų448.5 Ų48.52%0.01825%0.246CC..Hα-helixtrans-67.1-42.1176.8-176-109.8000111.9M171 T172 L176 I177 L178 L202 A205 I206 W209 Y231M171-F174 HydrophobicContact CB-CB 4.44Å; M171-F174 WeakPolarHBondContact O-CB 3.3Å; M171-F174 PolarHBondContact O-N 3.2Å; T172-F174 PolarHBondContact O-N 3.43Å; F174-L176 VanDerWaalsContact C-N 3.28Å; F174-L176 PolarHBondContact O-N 3.17Å; F174-I177 WeakPolarHBondContact O-CB 3.38Å; F174-I177 PolarHBondContact O-N 3.24Å; F174-I177 VanDerWaalsContact O-N 3.09Å; F174-L178 HydrophobicContact CD1-CD1 3.95Å; F174-L178 HydrophobicContact CD1-CG 4.26Å; F174-L178 HydrophobicContact CE1-CD1 3.52Å; F174-L178 HydrophobicContact CE1-CD2 4.25Å; F174-L178 HydrophobicContact CE1-CG 3.94Å; F174-L178 HydrophobicContact CE2-CD2 4.42Å; F174-L178 HydrophobicContact CZ-CD1 4.09Å; F174-L178 HydrophobicContact CZ-CD2 3.95Å; F174-L178 HydrophobicContact CZ-CG 4.1Å; F174-L178 WeakPolarHBondContact O-CG 3.44Å; F174-L178 PolarHBondContact O-N 2.88Å; F174-L202 HydrophobicContact CD2-CD1 4.11Å; F174-L202 HydrophobicContact CE2-CD1 3.83Å; F174-A205 HydrophobicContact CD2-CB 4.35Å; F174-A205 HydrophobicContact CE2-CB 3.91Å; F174-I206 HydrophobicContact CE2-CG1 4.22Å; F174-I206 HydrophobicContact CZ-CG1 4.28Å; F174-W209 HydrophobicContact CD1-CE3 4.3Å; F174-W209 HydrophobicContact CD1-CZ3 4.47Å; F174-W209 HydrophobicContact CE1-CB 4.28Å; F174-W209 AromaticContact CE1-CD2 3.79Å; F174-W209 HydrophobicContact CE1-CD2 3.79Å; F174-W209 AromaticContact CE1-CE3 3.59Å; F174-W209 HydrophobicContact CE1-CE3 3.59Å; F174-W209 HydrophobicContact CE1-CG 4.1Å; F174-W209 HydrophobicContact CE1-CZ3 4.13Å; F174-W209 HydrophobicContact CZ-CB 4.18Å; F174-W209 HydrophobicContact CZ-CD2 4.45Å; F174-W209 HydrophobicContact CZ-CG 4.3Å; F174-Y231 HydrophobicContact CB-CD1 3.6Å; F174-Y231 HydrophobicContact CB-CE1 4.19Å; F174-Y231 AromaticContact CD1-CD1 3.75Å; F174-Y231 HydrophobicContact CD1-CD1 3.75Å; F174-Y231 AromaticContact CD1-CE1 3.43Å; F174-Y231 HydrophobicContact CD1-CE1 3.43Å; F174-Y231 VanDerWaalsContact CD1-CE1 3.43Å; F174-Y231 AromaticContact CD2-CD1 3.76Å; F174-Y231 HydrophobicContact CD2-CD1 3.76Å; F174-Y231 AromaticContact CD2-CE1 3.68Å; F174-Y231 HydrophobicContact CD2-CE1 3.68Å; F174-Y231 HydrophobicContact CE1-CD1 4.34Å; F174-Y231 AromaticContact CE1-CE1 3.56Å; F174-Y231 HydrophobicContact CE1-CE1 3.56Å; F174-Y231 HydrophobicContact CE2-CD1 4.35Å; F174-Y231 AromaticContact CE2-CE1 3.81Å; F174-Y231 HydrophobicContact CE2-CE1 3.81Å; F174-Y231 AromaticContact CG-CD1 3.42Å; F174-Y231 HydrophobicContact CG-CD1 3.42Å; F174-Y231 VanDerWaalsContact CG-CD1 3.42Å; F174-Y231 AromaticContact CG-CE1 3.49Å; F174-Y231 HydrophobicContact CG-CE1 3.49Å; F174-Y231 VanDerWaalsContact CG-CE1 3.49Å; F174-Y231 AromaticContact CZ-CE1 3.76Å; F174-Y231 HydrophobicContact CZ-CE1 3.76Å
175A88.4Confident88.2Confident8 Ų850.7 Ų50.77%0.06626%0.256CS..Hα-helixtrans-57.4-41.1174.300000112.3F168 M171 T172 L178 N179F168-A175 HydrophobicContact CB-CB 3.7Å; F168-A175 HydrophobicContact CD1-CB 3.51Å; F168-A175 HydrophobicContact CD2-CB 3.97Å; F168-A175 HydrophobicContact CE1-CB 3.97Å; F168-A175 HydrophobicContact CE2-CB 4.43Å; F168-A175 HydrophobicContact CG-CB 3.47Å; F168-A175 VanDerWaalsContact CG-CB 3.47Å; F168-A175 HydrophobicContact CZ-CB 4.42Å; M171-A175 PolarHBondContact O-N 3.36Å; T172-A175 WeakPolarHBondContact O-CB 3.42Å; T172-A175 PolarHBondContact O-N 3.06Å; A175-L178 PolarHBondContact O-N 2.85Å; A175-N179 WeakPolarHBondContact O-CB 3.16Å; A175-N179 VanDerWaalsContact O-CG 3.24Å; A175-N179 PolarHBondContact O-N 2.92Å; A175-N179 PolarHBondContact O-ND2 3.24Å; A175-N179 VanDerWaalsContact O-ND2 3.16Å
176L87.7Confident88Confident41 Ų4151.3 Ų51.322%0.21526%0.263CS..Hα-helixtrans-64.8-40.4175.8-67169.1000111.7T172 G173 F174 N179 Y180 S243 M244T172-L176 HydrophobicContact CG2-CD1 4.5Å; T172-L176 VanDerWaalsContact O-CG 3.25Å; T172-L176 WeakPolarHBondContact O-CG 3.49Å; T172-L176 PolarHBondContact O-N 2.9Å; G173-L176 PolarHBondContact O-N 3.23Å; F174-L176 VanDerWaalsContact C-N 3.28Å; F174-L176 PolarHBondContact O-N 3.17Å; L176-N179 PolarHBondContact O-N 3.44Å; L176-Y180 HydrophobicContact CB-CD2 4.29Å; L176-Y180 HydrophobicContact CD2-CD2 3.95Å; L176-Y180 HydrophobicContact CD2-CE2 3.55Å; L176-Y180 WeakPolarHBondContact O-CB 3.48Å; L176-Y180 WeakPolarHBondContact O-CD2 2.94Å; L176-Y180 PolarHBondContact O-N 3.34Å; L176-S243 WeakPolarHBondContact CB-OG 2.77Å; L176-M244 HydrophobicContact CD1-CG 3.72Å
177I89.2Confident87.8Confident1 Ų154.7 Ų54.71%0.00528%0.279CS..Hα-helixtrans-61.9-49.3175.6-66.8168.8000110.2G173 F174 N179 L181 M182 L202 H236 T239 R240G173-I177 WeakPolarHBondContact O-CG1 3.41Å; G173-I177 PolarHBondContact O-N 3.02Å; G173-I177 VanDerWaalsContact O-N 3.11Å; F174-I177 WeakPolarHBondContact O-CB 3.38Å; F174-I177 PolarHBondContact O-N 3.24Å; F174-I177 VanDerWaalsContact O-N 3.09Å; I177-N179 VanDerWaalsContact C-N 3.34Å; I177-N179 PolarHBondContact O-N 3.01Å; I177-L181 HydrophobicContact CG1-CD1 4.38Å; I177-L181 HydrophobicContact CG2-CB 4.37Å; I177-L181 HydrophobicContact CG2-CD1 4.25Å; I177-L181 WeakPolarHBondContact O-CA 3.47Å; I177-L181 WeakPolarHBondContact O-CB 3.34Å; I177-L181 PolarHBondContact O-N 3.42Å; I177-M182 HydrophobicContact CG2-CG 4.45Å; I177-M182 HydrophobicContact CG2-SD 4.19Å; I177-M182 PolarHBondContact O-N 3.44Å; I177-L202 HydrophobicContact CD1-CD1 4.44Å; I177-L202 HydrophobicContact CG2-CD1 3.9Å; I177-L202 HydrophobicContact CG2-CD2 3.99Å; I177-H236 HydrophobicContact CD1-CB 4.16Å; I177-T239 HydrophobicContact CD1-CG2 3.87Å; I177-T239 HydrophobicContact CG1-CG2 4.03Å; I177-T239 HydrophobicContact CG2-CG2 4.17Å; I177-R240 HydrophobicContact CD1-CB 4.4Å
178L89.5Confident87.7Confident30 Ų3053 Ų5316%0.15729%0.285CS..Iπ-helixtrans-56.7-48.2177.1-67.5-177.8000111.5F168 F174 A175 M182 L183 W209F168-L178 HydrophobicContact CE1-CD1 4.31Å; F174-L178 HydrophobicContact CD1-CD1 3.95Å; F174-L178 HydrophobicContact CD1-CG 4.26Å; F174-L178 HydrophobicContact CE1-CD1 3.52Å; F174-L178 HydrophobicContact CE1-CD2 4.25Å; F174-L178 HydrophobicContact CE1-CG 3.94Å; F174-L178 HydrophobicContact CE2-CD2 4.42Å; F174-L178 HydrophobicContact CZ-CD1 4.09Å; F174-L178 HydrophobicContact CZ-CD2 3.95Å; F174-L178 HydrophobicContact CZ-CG 4.1Å; F174-L178 WeakPolarHBondContact O-CG 3.44Å; F174-L178 PolarHBondContact O-N 2.88Å; A175-L178 PolarHBondContact O-N 2.85Å; L178-M182 HydrophobicContact CD2-SD 3.83Å; L178-M182 CarbonylContact O-C 3.32Å; L178-M182 PolarHBondContact O-N 3.04Å; L178-L183 PolarHBondContact O-N 3.21Å; L178-W209 HydrophobicContact CD1-CH2 4.45Å; L178-W209 HydrophobicContact CD1-CZ2 3.96Å
179N89Confident87.5Confident83 Ų8352.5 Ų52.544%0.44428%0.283SS..Iπ-helixtrans-73.8-35.7-174.2-71.6-28.7000114.2A175 L176 I177 L183A175-N179 WeakPolarHBondContact O-CB 3.16Å; A175-N179 VanDerWaalsContact O-CG 3.24Å; A175-N179 PolarHBondContact O-N 2.92Å; A175-N179 PolarHBondContact O-ND2 3.24Å; A175-N179 VanDerWaalsContact O-ND2 3.16Å; L176-N179 PolarHBondContact O-N 3.44Å; I177-N179 VanDerWaalsContact C-N 3.34Å; I177-N179 PolarHBondContact O-N 3.01Å; N179-L183 WeakPolarHBondContact O-CB 3.45Å
180Y88.4Confident87.4Confident88 Ų8853 Ų5335%0.34528%0.284SS..Iπ-helixtrans-108.1-21.3-172-66.5-59.9000114.7L176 S243 G247 A250L176-Y180 HydrophobicContact CB-CD2 4.29Å; L176-Y180 HydrophobicContact CD2-CD2 3.95Å; L176-Y180 HydrophobicContact CD2-CE2 3.55Å; L176-Y180 WeakPolarHBondContact O-CB 3.48Å; L176-Y180 WeakPolarHBondContact O-CD2 2.94Å; L176-Y180 PolarHBondContact O-N 3.34Å; Y180-S243 WeakPolarHBondContact CD2-O 3.4Å; Y180-G247 VanDerWaalsContact CE1-CA 3.5Å; Y180-G247 VanDerWaalsContact CE2-CA 3.49Å; Y180-A250 HydrophobicContact CE1-CB 4.23Å
181L89Confident87.6Confident1 Ų158.7 Ų58.71%0.00531%0.31CS..Iπ-helixtrans-112.9-18.5-178.1-58.5-177.9000113.3I177 P186 H187 I189 L190 T239 I246I177-L181 HydrophobicContact CG1-CD1 4.38Å; I177-L181 HydrophobicContact CG2-CB 4.37Å; I177-L181 HydrophobicContact CG2-CD1 4.25Å; I177-L181 WeakPolarHBondContact O-CA 3.47Å; I177-L181 WeakPolarHBondContact O-CB 3.34Å; I177-L181 PolarHBondContact O-N 3.42Å; L181-P186 CarbonylContact O-C 3.58Å; L181-P186 VanDerWaalsContact O-CA 3.27Å; L181-P186 WeakPolarHBondContact O-CA 3.43Å; L181-H187 HydrophobicContact CB-CB 4.38Å; L181-H187 HydrophobicContact CD2-CB 3.83Å; L181-H187 PolarHBondContact O-N 3.29Å; L181-I189 HydrophobicContact CD2-CG2 3.93Å; L181-L190 HydrophobicContact CB-CD1 4.03Å; L181-L190 HydrophobicContact CB-CD2 4.28Å; L181-L190 HydrophobicContact CB-CG 4.23Å; L181-L190 HydrophobicContact CD1-CD2 4.07Å; L181-L190 VanDerWaalsContact O-CD1 3.24Å; L181-L190 WeakPolarHBondContact O-CD1 3.29Å; L181-T239 HydrophobicContact CD1-CG2 3.49Å; L181-T239 VanDerWaalsContact CD1-CG2 3.49Å; L181-T239 WeakPolarHBondContact CD1-O 3.32Å; L181-I246 HydrophobicContact CD2-CD1 3.46Å; L181-I246 VanDerWaalsContact CD2-CD1 3.46Å
182M89.2Confident87.7Confident60 Ų6062.3 Ų62.330%0.29633%0.329SS..Iπ-helixtrans-125.1-13-172.7-62.3-177.469.100114.5I177 L178 D184 L190 I206I177-M182 HydrophobicContact CG2-CG 4.45Å; I177-M182 HydrophobicContact CG2-SD 4.19Å; I177-M182 PolarHBondContact O-N 3.44Å; L178-M182 HydrophobicContact CD2-SD 3.83Å; L178-M182 CarbonylContact O-C 3.32Å; L178-M182 PolarHBondContact O-N 3.04Å; M182-D184 PolarHBondContact O-N 3.24Å; M182-L190 HydrophobicContact CG-CD1 3.84Å; M182-I206 HydrophobicContact CE-CD1 3.38Å; M182-I206 HydrophobicContact CE-CG1 4.14Å; M182-I206 HydrophobicContact SD-CD1 3.77Å; M182-I206 HydrophobicContact SD-CG1 4.41Å
183L85.4Confident88Confident105 Ų10566.1 Ų66.155%0.5534%0.338SS..SBendtrans-67.7128.3-177.8-168.569.3000110.3L178 N179 I185L178-L183 PolarHBondContact O-N 3.21Å; N179-L183 WeakPolarHBondContact O-CB 3.45Å; L183-I185 PolarHBondContact O-N 3.35Å
184D83.7Confident88.2Confident151 Ų15172.4 Ų72.481%0.80736%0.36SS*.SBendtrans59.7-59.7-178.4-56-34.8000115.7M182M182-D184 PolarHBondContact O-N 3.24Å
185I85.5Confident88.1Confident142 Ų14272.2 Ų72.273%0.72836%0.359SS*.SBendtrans-130.3117179.3-58.2176.9000108L183 H187L183-I185 PolarHBondContact O-N 3.35Å; I185-H187 PolarHBondContact O-N 2.76Å
186P88.5Confident88Confident63 Ų6377.7 Ų77.741%0.40938%0.383SS..  trans-56129.5177.3-27.235.3000112.3L181 L190 F191L181-P186 CarbonylContact O-C 3.58Å; L181-P186 VanDerWaalsContact O-CA 3.27Å; L181-P186 WeakPolarHBondContact O-CA 3.43Å; P186-L190 HydrophobicContact CB-CD1 4.21Å; P186-F191 HydrophobicContact CB-CE2 4.43Å; P186-F191 HydrophobicContact CB-CZ 4.26Å
187H89.6Confident87.8Confident71 Ų7182.7 Ų82.733%0.32941%0.405SS..  trans-64.4135.2-179.7-172.1-83.3000110.2L181 I185 I189 L190L181-H187 HydrophobicContact CB-CB 4.38Å; L181-H187 HydrophobicContact CD2-CB 3.83Å; L181-H187 PolarHBondContact O-N 3.29Å; I185-H187 PolarHBondContact O-N 2.76Å; H187-I189 HydrophobicContact CB-CG2 4.31Å; H187-I189 VanDerWaalsContact ND1-CB 3.34Å; H187-I189 WeakPolarHBondContact ND1-CB 3.01Å; H187-I189 WeakPolarHBondContact ND1-CG2 2.98Å; H187-I189 PolarHBondContact ND1-N 3.03Å; H187-I189 VanDerWaalsContact ND1-N 3.19Å; H187-I189 PolarHBondContact O-N 3.38Å; H187-L190 WeakPolarHBondContact O-CB 3.26Å; H187-L190 PolarHBondContact O-N 3.08Å
188P89.5Confident87.6Confident94 Ų9483.2 Ų83.261%0.6141%0.409SS*.G310 helixtrans-55.5-26.3-174.2-29.735.6000115.5L190 F191P188-L190 PolarHBondContact O-N 2.94Å; P188-L190 VanDerWaalsContact O-N 3.15Å; P188-F191 WeakPolarHBondContact O-CB 3.38Å; P188-F191 WeakPolarHBondContact O-CD2 3.03Å; P188-F191 PolarHBondContact O-N 3.27Å
189I87.9Confident87.4Confident27 Ų2784 Ų8414%0.13841%0.411CS..G310 helixtrans-55.4-31.1176.4-159.964.5000112.6L181 H187 F191 D192 L195 Y242L181-I189 HydrophobicContact CD2-CG2 3.93Å; H187-I189 HydrophobicContact CB-CG2 4.31Å; H187-I189 VanDerWaalsContact ND1-CB 3.34Å; H187-I189 WeakPolarHBondContact ND1-CB 3.01Å; H187-I189 WeakPolarHBondContact ND1-CG2 2.98Å; H187-I189 PolarHBondContact ND1-N 3.03Å; H187-I189 VanDerWaalsContact ND1-N 3.19Å; H187-I189 PolarHBondContact O-N 3.38Å; I189-F191 PolarHBondContact O-N 3.21Å; I189-F191 VanDerWaalsContact O-N 3.09Å; I189-D192 HydrophobicContact CD1-CB 4.3Å; I189-D192 VanDerWaalsContact O-CB 3.28Å; I189-D192 WeakPolarHBondContact O-CB 3.41Å; I189-D192 PolarHBondContact O-N 2.97Å; I189-L195 HydrophobicContact CG1-CD1 4.03Å; I189-L195 WeakPolarHBondContact O-CD1 3.49Å; I189-Y242 HydrophobicContact CD1-CD1 4.5Å; I189-Y242 HydrophobicContact CD1-CE1 4.1Å; I189-Y242 HydrophobicContact CD1-CE2 4.2Å; I189-Y242 HydrophobicContact CG1-CD1 4.16Å; I189-Y242 HydrophobicContact CG1-CD2 3.95Å; I189-Y242 HydrophobicContact CG1-CE1 4.23Å; I189-Y242 HydrophobicContact CG1-CE2 4.03Å; I189-Y242 HydrophobicContact CG1-CG 4.03Å
190L86.4Confident87.2Confident19 Ų1986.9 Ų86.910%0.09942%0.416CS..G310 helixtrans-64.1-13.4176.4-66.6178.7000112.5L181 M182 P186 H187 P188 K199 L202 T239L181-L190 HydrophobicContact CB-CD1 4.03Å; L181-L190 HydrophobicContact CB-CD2 4.28Å; L181-L190 HydrophobicContact CB-CG 4.23Å; L181-L190 HydrophobicContact CD1-CD2 4.07Å; L181-L190 VanDerWaalsContact O-CD1 3.24Å; L181-L190 WeakPolarHBondContact O-CD1 3.29Å; M182-L190 HydrophobicContact CG-CD1 3.84Å; P186-L190 HydrophobicContact CB-CD1 4.21Å; H187-L190 WeakPolarHBondContact O-CB 3.26Å; H187-L190 PolarHBondContact O-N 3.08Å; P188-L190 PolarHBondContact O-N 2.94Å; P188-L190 VanDerWaalsContact O-N 3.15Å; L190-K199 WeakPolarHBondContact O-CD 3.26Å; L190-K199 WeakPolarHBondContact O-CE 3.41Å; L190-K199 PolarHBondContact O-NZ 2.97Å; L190-L202 HydrophobicContact CD2-CD2 4.11Å; L190-T239 HydrophobicContact CD2-CG2 3.81Å
191F88.2Confident87Confident150 Ų15085.3 Ų85.366%0.65841%0.412SS*.G310 helixtrans-97.7-5175.5-53.1-69.2000113.2P186 P188 I189 K199P186-F191 HydrophobicContact CB-CE2 4.43Å; P186-F191 HydrophobicContact CB-CZ 4.26Å; P188-F191 WeakPolarHBondContact O-CB 3.38Å; P188-F191 WeakPolarHBondContact O-CD2 3.03Å; P188-F191 PolarHBondContact O-N 3.27Å; I189-F191 PolarHBondContact O-N 3.21Å; I189-F191 VanDerWaalsContact O-N 3.09Å; F191-K199 VanDerWaalsContact CA-NZ 3.29Å; F191-K199 PolarHBondContact O-NZ 3.28Å; F191-K199 VanDerWaalsContact O-NZ 3.09Å
192D90.4Very high86.9Confident75 Ų7585.6 Ų85.640%0.40141%0.413SS..  trans-66.5136.6178.3-162.5-55000111.9I189 Y194 L195 K199I189-D192 HydrophobicContact CD1-CB 4.3Å; I189-D192 VanDerWaalsContact O-CB 3.28Å; I189-D192 WeakPolarHBondContact O-CB 3.41Å; I189-D192 PolarHBondContact O-N 2.97Å; D192-Y194 PolarHBondContact O-N 2.92Å; D192-Y194 VanDerWaalsContact OD1-CB 3.23Å; D192-Y194 WeakPolarHBondContact OD1-CB 3.26Å; D192-Y194 PolarHBondContact OD1-N 3.13Å; D192-L195 PolarHBondContact O-N 3.41Å; D192-K199 WeakPolarHBondContact O-CE 3.37Å; D192-K199 PolarHBondContact O-NZ 3.5Å
193K89.7Confident86.8Confident166 Ų16687 Ų8772%0.72242%0.422SS*.G310 helixtrans-64.4-28.2179-171175.7-179.4178.10112.2L195 E196K193-L195 PolarHBondContact O-N 2.91Å; K193-L195 VanDerWaalsContact O-N 3.12Å; K193-E196 VanDerWaalsContact O-CB 3.29Å; K193-E196 WeakPolarHBondContact O-CB 2.99Å; K193-E196 PolarHBondContact O-N 3.49Å
194Y87.9Confident86.9Confident141 Ų14185.2 Ų85.255%0.55341%0.411SS*.G310 helixtrans-61.7-20177.8-179.5-109.2000113.9D192 K238D192-Y194 PolarHBondContact O-N 2.92Å; D192-Y194 VanDerWaalsContact OD1-CB 3.23Å; D192-Y194 WeakPolarHBondContact OD1-CB 3.26Å; D192-Y194 PolarHBondContact OD1-N 3.13Å; Y194-K238 HydrophobicContact CD1-CD 4.03Å; Y194-K238 HydrophobicContact CE1-CD 3.45Å; Y194-K238 VanDerWaalsContact CE1-CD 3.45Å; Y194-K238 HydrophobicContact CE1-CG 4.16Å; Y194-K238 PolarHBondContact O-NZ 3.37Å; Y194-K238 WeakPolarHBondContact OH-CE 3.42Å; Y194-K238 PolarHBondContact OH-NZ 3.07Å
195L87.7Confident87.1Confident1 Ų178 Ų781%0.00537%0.373CS..G310 helixtrans-99.38.8177.5-60.9-172.6000113.5I189 D192 K193 Q197 D198 K199 K238 Y242I189-L195 HydrophobicContact CG1-CD1 4.03Å; I189-L195 WeakPolarHBondContact O-CD1 3.49Å; D192-L195 PolarHBondContact O-N 3.41Å; K193-L195 PolarHBondContact O-N 2.91Å; K193-L195 VanDerWaalsContact O-N 3.12Å; L195-Q197 VanDerWaalsContact C-N 3.27Å; L195-Q197 PolarHBondContact O-N 2.85Å; L195-Q197 VanDerWaalsContact O-N 3.17Å; L195-D198 HydrophobicContact CB-CB 4.45Å; L195-D198 PolarHBondContact O-N 2.83Å; L195-K199 HydrophobicContact CB-CG 4.38Å; L195-K199 WeakPolarHBondContact O-CG 2.85Å; L195-K199 PolarHBondContact O-N 3.22Å; L195-K238 HydrophobicContact CD2-CB 3.41Å; L195-K238 VanDerWaalsContact CD2-CB 3.41Å; L195-K238 HydrophobicContact CD2-CD 3.98Å; L195-K238 HydrophobicContact CD2-CG 4.37Å; L195-Y242 HydrophobicContact CD1-CD2 4.38Å; L195-Y242 HydrophobicContact CD2-CD2 4.42Å; L195-Y242 HydrophobicContact CD2-CE2 4.26Å
196E85.6Confident87.3Confident123 Ų12372.5 Ų72.558%0.57534%0.344SS*.Hα-helixtrans-52.2-41.9-174-173.2167.2-164.500113.5K193 K199 Y200K193-E196 VanDerWaalsContact O-CB 3.29Å; K193-E196 WeakPolarHBondContact O-CB 2.99Å; K193-E196 PolarHBondContact O-N 3.49Å; E196-K199 PolarHBondContact O-N 2.83Å; E196-Y200 PolarHBondContact O-N 3.08Å
197Q83.4Confident87.3Confident145 Ų14574 Ų7468%0.67835%0.349SS*.Hα-helixtrans-68-46.4174.8-173176.84.500112.8L195 K199 Y200 H201L195-Q197 VanDerWaalsContact C-N 3.27Å; L195-Q197 PolarHBondContact O-N 2.85Å; L195-Q197 VanDerWaalsContact O-N 3.17Å; Q197-K199 PolarHBondContact O-N 3.19Å; Q197-Y200 PolarHBondContact O-N 3.3Å; Q197-H201 PolarHBondContact O-CD2 3.45Å; Q197-H201 PolarHBondContact O-N 3.34Å
198D86Confident87.1Confident13 Ų1373.3 Ų73.37%0.0735%0.347CS..Hα-helixtrans-59.6-37.2176.9-77.343.2000111.3L195 L202 H236 T237 K238 T239L195-D198 HydrophobicContact CB-CB 4.45Å; L195-D198 PolarHBondContact O-N 2.83Å; D198-L202 VanDerWaalsContact O-CB 3.23Å; D198-L202 WeakPolarHBondContact O-CB 3.37Å; D198-L202 PolarHBondContact O-N 2.84Å; D198-H236 HydrophobicContact CB-CB 4.28Å; D198-H236 PolarHBondContact O-ND1 2.88Å; D198-H236 VanDerWaalsContact O-ND1 3.14Å; D198-H236 WeakPolarHBondContact OD2-CA 3.43Å; D198-T237 PolarHBondContact OD2-N 3.27Å; D198-K238 WeakPolarHBondContact OD2-CB 3.34Å; D198-K238 PolarHBondContact OD2-N 2.82Å; D198-T239 VanDerWaalsContact CB-OG1 3.25Å; D198-T239 WeakPolarHBondContact CB-OG1 3.42Å; D198-T239 PolarHBondContact OD2-N 3.04Å; D198-T239 PolarHBondContact OD2-OG1 2.97Å
199K84.7Confident87.1Confident46 Ų4670.3 Ų70.320%0.232%0.324CS..Hα-helixtrans-64.2-42.1178.5-73.2179.8-141.7-167.70112.3L190 F191 D192 L195 E196 Q197 H201 L202 N203L190-K199 WeakPolarHBondContact O-CD 3.26Å; L190-K199 WeakPolarHBondContact O-CE 3.41Å; L190-K199 PolarHBondContact O-NZ 2.97Å; F191-K199 VanDerWaalsContact CA-NZ 3.29Å; F191-K199 PolarHBondContact O-NZ 3.28Å; F191-K199 VanDerWaalsContact O-NZ 3.09Å; D192-K199 WeakPolarHBondContact O-CE 3.37Å; D192-K199 PolarHBondContact O-NZ 3.5Å; L195-K199 HydrophobicContact CB-CG 4.38Å; L195-K199 WeakPolarHBondContact O-CG 2.85Å; L195-K199 PolarHBondContact O-N 3.22Å; E196-K199 PolarHBondContact O-N 2.83Å; Q197-K199 PolarHBondContact O-N 3.19Å; K199-H201 PolarHBondContact O-N 2.88Å; K199-L202 PolarHBondContact O-N 3.22Å; K199-N203 WeakPolarHBondContact O-CB 3.43Å; K199-N203 PolarHBondContact O-N 3.46Å; K199-N203 PolarHBondContact O-ND2 3.35Å
200Y85Confident87.2Confident144 Ų14473.7 Ų73.757%0.56534%0.342SS*.Hα-helixtrans-55.6-54.7177.5174.5-98.8000110.3E196 Q197 L202 N203 E204E196-Y200 PolarHBondContact O-N 3.08Å; Q197-Y200 PolarHBondContact O-N 3.3Å; Y200-L202 VanDerWaalsContact C-N 3.31Å; Y200-L202 PolarHBondContact O-N 3.32Å; Y200-N203 PolarHBondContact O-N 3.11Å; Y200-E204 HydrophobicContact CE1-CG 4.43Å; Y200-E204 WeakPolarHBondContact CE1-OE2 3.25Å; Y200-E204 PolarHBondContact O-N 2.82Å; Y200-E204 PolarHBondContact OH-OE1 3.1Å
201H83.7Confident87.4Confident54 Ų5479 Ų7925%0.2537%0.37CS..Hα-helixtrans-64-37.6178.1-62.7-53.9000111.9Q197 K199 N203 E204 A205 C235 H236Q197-H201 PolarHBondContact O-CD2 3.45Å; Q197-H201 PolarHBondContact O-N 3.34Å; K199-H201 PolarHBondContact O-N 2.88Å; H201-N203 VanDerWaalsContact C-N 3.31Å; H201-N203 PolarHBondContact O-N 2.99Å; H201-E204 IonicContact ND1-OE2 3.38Å; H201-E204 PolarHBondContact ND1-OE2 2.86Å; H201-E204 PolarHBondContact O-N 3.46Å; H201-A205 WeakPolarHBondContact O-CB 3.44Å; H201-A205 PolarHBondContact O-N 2.81Å; H201-C235 HydrophobicContact CB-CB 4.42Å; H201-C235 PolarHBondContact CD2-O 3.42Å; H201-H236 WeakPolarHBondContact CB-CE1 3.23Å; H201-H236 WeakPolarHBondContact CB-ND1 3.37Å; H201-H236 PolarHBondContact O-CE1 3.44Å; H201-H236 VanDerWaalsContact O-CE1 3.28Å
202L87.4Confident87.4Confident7 Ų772 Ų724%0.03734%0.34CS..Hα-helixtrans-64.6-39.5-178.7177.361.9000110.7F174 I177 L190 D198 K199 Y200 A205 I206 H236 T239F174-L202 HydrophobicContact CD2-CD1 4.11Å; F174-L202 HydrophobicContact CE2-CD1 3.83Å; I177-L202 HydrophobicContact CD1-CD1 4.44Å; I177-L202 HydrophobicContact CG2-CD1 3.9Å; I177-L202 HydrophobicContact CG2-CD2 3.99Å; L190-L202 HydrophobicContact CD2-CD2 4.11Å; D198-L202 VanDerWaalsContact O-CB 3.23Å; D198-L202 WeakPolarHBondContact O-CB 3.37Å; D198-L202 PolarHBondContact O-N 2.84Å; K199-L202 PolarHBondContact O-N 3.22Å; Y200-L202 VanDerWaalsContact C-N 3.31Å; Y200-L202 PolarHBondContact O-N 3.32Å; L202-A205 PolarHBondContact O-N 3.33Å; L202-I206 HydrophobicContact CD1-CD1 4.08Å; L202-I206 HydrophobicContact CD1-CG1 4.3Å; L202-I206 HydrophobicContact CD2-CD1 4.44Å; L202-I206 HydrophobicContact CG-CD1 3.76Å; L202-I206 HydrophobicContact CG-CG1 4.45Å; L202-I206 WeakPolarHBondContact O-CD1 3.46Å; L202-I206 VanDerWaalsContact O-CG1 3.24Å; L202-I206 WeakPolarHBondContact O-CG1 3.3Å; L202-I206 PolarHBondContact O-N 3.19Å; L202-H236 WeakPolarHBondContact CA-CE1 3.42Å; L202-H236 PolarHBondContact N-CE1 2.97Å; L202-H236 PolarHBondContact N-ND1 2.99Å; L202-T239 HydrophobicContact CD2-CG2 4.25Å
203N87.6Confident87.4Confident91 Ų9170.5 Ų70.549%0.48734%0.341SS..Hα-helixtrans-61.9-46.3174.5-70.6-20.8000111K199 Y200 H201 A205 I206 D207K199-N203 WeakPolarHBondContact O-CB 3.43Å; K199-N203 PolarHBondContact O-N 3.46Å; K199-N203 PolarHBondContact O-ND2 3.35Å; Y200-N203 PolarHBondContact O-N 3.11Å; H201-N203 VanDerWaalsContact C-N 3.31Å; H201-N203 PolarHBondContact O-N 2.99Å; N203-A205 VanDerWaalsContact C-N 3.28Å; N203-A205 PolarHBondContact O-N 3.39Å; N203-I206 PolarHBondContact O-N 3Å; N203-I206 VanDerWaalsContact O-N 3.14Å; N203-D207 PolarHBondContact O-N 3.13Å
204E87.1Confident87.4Confident67 Ų6766.7 Ų66.731%0.31334%0.341SS..Hα-helixtrans-57-42.6174.8-64.4-177121.500111.8Y200 H201 D207 L208 L230Y200-E204 HydrophobicContact CE1-CG 4.43Å; Y200-E204 WeakPolarHBondContact CE1-OE2 3.25Å; Y200-E204 PolarHBondContact O-N 2.82Å; Y200-E204 PolarHBondContact OH-OE1 3.1Å; H201-E204 IonicContact ND1-OE2 3.38Å; H201-E204 PolarHBondContact ND1-OE2 2.86Å; H201-E204 PolarHBondContact O-N 3.46Å; E204-D207 PolarHBondContact O-N 3.21Å; E204-L208 PolarHBondContact O-N 3.11Å; E204-L208 VanDerWaalsContact O-N 3.14Å; E204-L230 HydrophobicContact CB-CD2 3.75Å
205A87.2Confident87.5Confident0 Ų063.8 Ų63.80%035%0.346CS..Hα-helixtrans-67.1-35.9178.300000113F174 H201 L202 N203 W209 L230 Y231F174-A205 HydrophobicContact CD2-CB 4.35Å; F174-A205 HydrophobicContact CE2-CB 3.91Å; H201-A205 WeakPolarHBondContact O-CB 3.44Å; H201-A205 PolarHBondContact O-N 2.81Å; L202-A205 PolarHBondContact O-N 3.33Å; N203-A205 VanDerWaalsContact C-N 3.28Å; N203-A205 PolarHBondContact O-N 3.39Å; A205-W209 VanDerWaalsContact O-CB 3.26Å; A205-W209 WeakPolarHBondContact O-CB 3.25Å; A205-W209 PolarHBondContact O-N 3.3Å; A205-L230 HydrophobicContact CB-CB 4.42Å; A205-Y231 HydrophobicContact CB-CD1 4.23Å; A205-Y231 HydrophobicContact CB-CE1 3.72Å; A205-Y231 PolarHBondContact O-OH 3.46Å
206I89Confident87.5Confident25 Ų2567.4 Ų67.413%0.12837%0.365CS..Hα-helixtrans-70.7-41.3175.2-71159.4000111F174 M182 L202 N203 L208 W209 N210F174-I206 HydrophobicContact CE2-CG1 4.22Å; F174-I206 HydrophobicContact CZ-CG1 4.28Å; M182-I206 HydrophobicContact CE-CD1 3.38Å; M182-I206 HydrophobicContact CE-CG1 4.14Å; M182-I206 HydrophobicContact SD-CD1 3.77Å; M182-I206 HydrophobicContact SD-CG1 4.41Å; L202-I206 HydrophobicContact CD1-CD1 4.08Å; L202-I206 HydrophobicContact CD1-CG1 4.3Å; L202-I206 HydrophobicContact CD2-CD1 4.44Å; L202-I206 HydrophobicContact CG-CD1 3.76Å; L202-I206 HydrophobicContact CG-CG1 4.45Å; L202-I206 WeakPolarHBondContact O-CD1 3.46Å; L202-I206 VanDerWaalsContact O-CG1 3.24Å; L202-I206 WeakPolarHBondContact O-CG1 3.3Å; L202-I206 PolarHBondContact O-N 3.19Å; N203-I206 PolarHBondContact O-N 3Å; N203-I206 VanDerWaalsContact O-N 3.14Å; I206-L208 PolarHBondContact O-N 2.94Å; I206-W209 CarbonylContact O-C 3.49Å; I206-W209 WeakPolarHBondContact O-CB 3.48Å; I206-W209 PolarHBondContact O-N 3.39Å; I206-N210 WeakPolarHBondContact CG2-ND2 3Å; I206-N210 WeakPolarHBondContact O-CB 2.94Å; I206-N210 VanDerWaalsContact O-CG 3.28Å; I206-N210 PolarHBondContact O-N 3.5Å; I206-N210 PolarHBondContact O-ND2 2.92Å
207D89.4Confident87.8Confident96 Ų9663.5 Ų63.551%0.51335%0.346SS..Hα-helixtrans-61.3-47178.9-72.6-20.5000110.4N203 E204 W209 N210 L211N203-D207 PolarHBondContact O-N 3.13Å; E204-D207 PolarHBondContact O-N 3.21Å; D207-W209 VanDerWaalsContact C-N 3.34Å; D207-W209 PolarHBondContact O-N 3.14Å; D207-N210 PolarHBondContact O-N 3.26Å; D207-N210 VanDerWaalsContact O-N 3.1Å; D207-L211 WeakPolarHBondContact O-CG 3.49Å; D207-L211 PolarHBondContact O-N 3.44Å
208L85.9Confident88.1Confident56 Ų5657.2 Ų57.229%0.29332%0.318SS..Hα-helixtrans-66.1-36175.9-73.9165000113.3E204 I206 N210 L211 T212 M227 L230E204-L208 PolarHBondContact O-N 3.11Å; E204-L208 VanDerWaalsContact O-N 3.14Å; I206-L208 PolarHBondContact O-N 2.94Å; L208-N210 VanDerWaalsContact C-N 3.29Å; L208-N210 PolarHBondContact O-N 2.96Å; L208-L211 HydrophobicContact CD2-CD1 4.35Å; L208-L211 PolarHBondContact O-N 3.42Å; L208-T212 PolarHBondContact O-N 2.92Å; L208-T212 PolarHBondContact O-OG1 3.41Å; L208-M227 HydrophobicContact CB-CE 4.03Å; L208-M227 HydrophobicContact CD1-SD 4.41Å; L208-L230 HydrophobicContact CD1-CD1 3.08Å; L208-L230 HydrophobicContact CD1-CD2 4.35Å; L208-L230 HydrophobicContact CD1-CG 4.28Å
209W89.2Confident88.4Confident31 Ų3158.4 Ų58.412%0.11732%0.322CS..Hα-helixtrans-60.3-40.7170.9177.8-96.9000111.4F168 F174 L178 A205 I206 D207 T212 K217 I220F168-W209 HydrophobicContact CD1-CH2 4.04Å; F168-W209 HydrophobicContact CD1-CZ3 4.27Å; F168-W209 AromaticContact CE1-CH2 3.16Å; F168-W209 HydrophobicContact CE1-CH2 3.16Å; F168-W209 AromaticContact CE1-CZ2 3.94Å; F168-W209 HydrophobicContact CE1-CZ2 3.94Å; F168-W209 AromaticContact CE1-CZ3 3.76Å; F168-W209 HydrophobicContact CE1-CZ3 3.76Å; F168-W209 AromaticContact CZ-CH2 3.71Å; F168-W209 HydrophobicContact CZ-CH2 3.71Å; F168-W209 HydrophobicContact CZ-CZ2 4.21Å; F174-W209 HydrophobicContact CD1-CE3 4.3Å; F174-W209 HydrophobicContact CD1-CZ3 4.47Å; F174-W209 HydrophobicContact CE1-CB 4.28Å; F174-W209 AromaticContact CE1-CD2 3.79Å; F174-W209 HydrophobicContact CE1-CD2 3.79Å; F174-W209 AromaticContact CE1-CE3 3.59Å; F174-W209 HydrophobicContact CE1-CE3 3.59Å; F174-W209 HydrophobicContact CE1-CG 4.1Å; F174-W209 HydrophobicContact CE1-CZ3 4.13Å; F174-W209 HydrophobicContact CZ-CB 4.18Å; F174-W209 HydrophobicContact CZ-CD2 4.45Å; F174-W209 HydrophobicContact CZ-CG 4.3Å; L178-W209 HydrophobicContact CD1-CH2 4.45Å; L178-W209 HydrophobicContact CD1-CZ2 3.96Å; A205-W209 VanDerWaalsContact O-CB 3.26Å; A205-W209 WeakPolarHBondContact O-CB 3.25Å; A205-W209 PolarHBondContact O-N 3.3Å; I206-W209 CarbonylContact O-C 3.49Å; I206-W209 WeakPolarHBondContact O-CB 3.48Å; I206-W209 PolarHBondContact O-N 3.39Å; D207-W209 VanDerWaalsContact C-N 3.34Å; D207-W209 PolarHBondContact O-N 3.14Å; W209-T212 PolarHBondContact O-N 3.1Å; W209-K217 HydrophobicContact CD2-CB 4.22Å; W209-K217 HydrophobicContact CD2-CD 4.23Å; W209-K217 HydrophobicContact CD2-CG 4.09Å; W209-K217 HydrophobicContact CE3-CB 4.26Å; W209-K217 HydrophobicContact CE3-CG 4.47Å; W209-K217 HydrophobicContact CG-CD 4.45Å; W209-K217 HydrophobicContact CH2-CB 3.61Å; W209-K217 HydrophobicContact CH2-CG 4.49Å; W209-K217 WeakPolarHBondContact CH2-O 3.18Å; W209-K217 HydrophobicContact CZ2-CB 3.59Å; W209-K217 HydrophobicContact CZ2-CD 4.06Å; W209-K217 HydrophobicContact CZ2-CG 4.16Å; W209-K217 HydrophobicContact CZ3-CB 4Å; W209-K217 WeakPolarHBondContact CZ3-O 3.32Å; W209-K217 WeakPolarHBondContact O-CE 3.37Å; W209-K217 PolarHBondContact O-NZ 3.46Å; W209-I220 HydrophobicContact CE3-CG2 4.13Å; W209-I220 HydrophobicContact CZ3-CG2 4.19Å
210N90.4Very high88.6Confident97 Ų9756.2 Ų56.252%0.51931%0.313SS..Hα-helixtrans-73.5-29.4179.8-73.6-25.9000113.6I206 D207 L208 T212I206-N210 WeakPolarHBondContact CG2-ND2 3Å; I206-N210 WeakPolarHBondContact O-CB 2.94Å; I206-N210 VanDerWaalsContact O-CG 3.28Å; I206-N210 PolarHBondContact O-N 3.5Å; I206-N210 PolarHBondContact O-ND2 2.92Å; D207-N210 PolarHBondContact O-N 3.26Å; D207-N210 VanDerWaalsContact O-N 3.1Å; L208-N210 VanDerWaalsContact C-N 3.29Å; L208-N210 PolarHBondContact O-N 2.96Å; N210-T212 PolarHBondContact O-N 3.23Å
211L89.4Confident88.7Confident130 Ų13051 Ų5168%0.68129%0.292SS*.THydrogen-bonded Turntrans-72.2-6172.5-67.9173.4000114D207 L208D207-L211 WeakPolarHBondContact O-CG 3.49Å; D207-L211 PolarHBondContact O-N 3.44Å; L208-L211 HydrophobicContact CD2-CD1 4.35Å; L208-L211 PolarHBondContact O-N 3.42Å
212T88Confident88.8Confident5 Ų548.4 Ų48.43%0.03128%0.28CS..SBendtrans-101.8138.5-176.8-60.90000111.1L208 W209 N210 D216 K217 I220 R224L208-T212 PolarHBondContact O-N 2.92Å; L208-T212 PolarHBondContact O-OG1 3.41Å; W209-T212 PolarHBondContact O-N 3.1Å; N210-T212 PolarHBondContact O-N 3.23Å; T212-D216 HydrophobicContact CG2-CB 3.58Å; T212-K217 HydrophobicContact CG2-CG 4.17Å; T212-K217 WeakPolarHBondContact O-CE 3.48Å; T212-I220 HydrophobicContact CG2-CB 4.42Å; T212-I220 HydrophobicContact CG2-CD1 3.84Å; T212-I220 HydrophobicContact CG2-CG1 4.02Å; T212-I220 WeakPolarHBondContact OG1-CD1 3.34Å; T212-R224 VanDerWaalsContact OG1-CZ 3.23Å; T212-R224 PolarHBondContact OG1-NH1 3.03Å
213G90.4Very high88.6Confident42 Ų4249.9 Ų49.943%0.43329%0.287SS..  trans-57.7145.3177.500000111.8A215 D216 K217G213-A215 PolarHBondContact O-N 3.46Å; G213-A215 VanDerWaalsContact O-N 3.11Å; G213-D216 PolarHBondContact O-N 3.41Å; G213-K217 WeakPolarHBondContact O-CG 2.94Å; G213-K217 PolarHBondContact O-N 3.02Å; G213-K217 VanDerWaalsContact O-N 3.08Å
214A90.8Very high88.3Confident87 Ų8749.8 Ų49.872%0.71928%0.28SS*.THydrogen-bonded Turntrans-55.4-34.9-172.500000114
215A88.9Confident87.7Confident79 Ų7954.1 Ų54.165%0.65330%0.301SS*.THydrogen-bonded Turntrans-68.8-34.1177.900000113.2G213G213-A215 PolarHBondContact O-N 3.46Å; G213-A215 VanDerWaalsContact O-N 3.11Å
216D88.8Confident87Confident77 Ų7756.7 Ų56.741%0.41233%0.327SS..THydrogen-bonded Turntrans-87.7-24.4-174.6-71.7-16.7000112.8T212 G213 Y219 I220 I223T212-D216 HydrophobicContact CG2-CB 3.58Å; G213-D216 PolarHBondContact O-N 3.41Å; D216-Y219 CarbonylContact O-C 3.46Å; D216-Y219 WeakPolarHBondContact O-CA 3.44Å; D216-Y219 PolarHBondContact O-N 2.94Å; D216-I220 PolarHBondContact O-N 3.19Å; D216-I223 HydrophobicContact CB-CD1 3.77Å
217K90.9Very high86.3Confident41 Ų4155.8 Ų55.818%0.17832%0.322CS..G310 helixtrans-44.6-54.8-177.7-84-177.8-170.6-147.80112.4W209 T212 G213 Y219 I220W209-K217 HydrophobicContact CD2-CB 4.22Å; W209-K217 HydrophobicContact CD2-CD 4.23Å; W209-K217 HydrophobicContact CD2-CG 4.09Å; W209-K217 HydrophobicContact CE3-CB 4.26Å; W209-K217 HydrophobicContact CE3-CG 4.47Å; W209-K217 HydrophobicContact CG-CD 4.45Å; W209-K217 HydrophobicContact CH2-CB 3.61Å; W209-K217 HydrophobicContact CH2-CG 4.49Å; W209-K217 WeakPolarHBondContact CH2-O 3.18Å; W209-K217 HydrophobicContact CZ2-CB 3.59Å; W209-K217 HydrophobicContact CZ2-CD 4.06Å; W209-K217 HydrophobicContact CZ2-CG 4.16Å; W209-K217 HydrophobicContact CZ3-CB 4Å; W209-K217 WeakPolarHBondContact CZ3-O 3.32Å; W209-K217 WeakPolarHBondContact O-CE 3.37Å; W209-K217 PolarHBondContact O-NZ 3.46Å; T212-K217 HydrophobicContact CG2-CG 4.17Å; T212-K217 WeakPolarHBondContact O-CE 3.48Å; G213-K217 WeakPolarHBondContact O-CG 2.94Å; G213-K217 PolarHBondContact O-N 3.02Å; G213-K217 VanDerWaalsContact O-N 3.08Å; K217-Y219 PolarHBondContact O-N 3.27Å; K217-I220 WeakPolarHBondContact O-CB 2.96Å; K217-I220 WeakPolarHBondContact O-CG2 3.33Å; K217-I220 PolarHBondContact O-N 3.16Å
218P91.3Very high85.2Confident13 Ų1353.9 Ų53.98%0.08431%0.312CS..G310 helixtrans-59.4-19.2-179.6-22.534.6000114.8R167 F168 M171R167-P218 HydrophobicContact CB-CB 4.17Å; R167-P218 HydrophobicContact CG-CB 4.03Å; F168-P218 WeakPolarHBondContact CA-O 3.47Å; F168-P218 PolarHBondContact N-O 3.34Å; M171-P218 WeakPolarHBondContact CE-O 3.33Å
219Y91.1Very high84.2Confident39 Ų3957.5 Ų57.515%0.15333%0.332CS..G310 helixtrans-1154.9-173.5-47.5-66.2000113W163 L166 R167 D216 K217 R221 L222 I223W163-Y219 AromaticContact CE3-CD1 3.72Å; W163-Y219 HydrophobicContact CE3-CD1 3.72Å; W163-Y219 HydrophobicContact CE3-CD2 4.23Å; W163-Y219 AromaticContact CE3-CE1 3.44Å; W163-Y219 HydrophobicContact CE3-CE1 3.44Å; W163-Y219 VanDerWaalsContact CE3-CE1 3.44Å; W163-Y219 AromaticContact CE3-CE2 3.96Å; W163-Y219 HydrophobicContact CE3-CE2 3.96Å; W163-Y219 HydrophobicContact CE3-CG 4.1Å; W163-Y219 AromaticContact CE3-CZ 3.54Å; W163-Y219 AromaticContact CZ3-CD1 3.6Å; W163-Y219 HydrophobicContact CZ3-CD1 3.6Å; W163-Y219 AromaticContact CZ3-CD2 3.91Å; W163-Y219 HydrophobicContact CZ3-CD2 3.91Å; W163-Y219 AromaticContact CZ3-CE1 3.84Å; W163-Y219 HydrophobicContact CZ3-CE1 3.84Å; W163-Y219 HydrophobicContact CZ3-CE2 4.11Å; W163-Y219 AromaticContact CZ3-CG 3.62Å; W163-Y219 HydrophobicContact CZ3-CG 3.62Å; W163-Y219 VanDerWaalsContact O-CE1 3.32Å; W163-Y219 WeakPolarHBondContact O-CE1 3.16Å; W163-Y219 PolarHBondContact O-OH 3.04Å; L166-Y219 HydrophobicContact CB-CE1 4.45Å; R167-Y219 HydrophobicContact CB-CE1 4.29Å; R167-Y219 HydrophobicContact CG-CE1 3.61Å; R167-Y219 WeakPolarHBondContact CG-OH 3.4Å; D216-Y219 CarbonylContact O-C 3.46Å; D216-Y219 WeakPolarHBondContact O-CA 3.44Å; D216-Y219 PolarHBondContact O-N 2.94Å; K217-Y219 PolarHBondContact O-N 3.27Å; Y219-R221 VanDerWaalsContact C-N 3.27Å; Y219-R221 PolarHBondContact O-N 3.07Å; Y219-R221 VanDerWaalsContact O-N 3.08Å; Y219-L222 WeakPolarHBondContact O-CA 3.44Å; Y219-L222 WeakPolarHBondContact O-CB 3.29Å; Y219-L222 PolarHBondContact O-N 3.18Å; Y219-I223 PolarHBondContact O-N 3.38Å
220I88.9Confident83Confident0 Ų057.1 Ų57.10%033%0.331CS..Hα-helixtrans-51.6-40.1-167.9-165.2179.3000113.8M171 W209 T212 D216 K217 L222 I223 R224 M227 Y231M171-I220 HydrophobicContact CE-CG2 3.72Å; M171-I220 HydrophobicContact SD-CG2 3.28Å; M171-I220 WeakPolarHBondContact SD-CG2 3.47Å; W209-I220 HydrophobicContact CE3-CG2 4.13Å; W209-I220 HydrophobicContact CZ3-CG2 4.19Å; T212-I220 HydrophobicContact CG2-CB 4.42Å; T212-I220 HydrophobicContact CG2-CD1 3.84Å; T212-I220 HydrophobicContact CG2-CG1 4.02Å; T212-I220 WeakPolarHBondContact OG1-CD1 3.34Å; D216-I220 PolarHBondContact O-N 3.19Å; K217-I220 WeakPolarHBondContact O-CB 2.96Å; K217-I220 WeakPolarHBondContact O-CG2 3.33Å; K217-I220 PolarHBondContact O-N 3.16Å; I220-L222 VanDerWaalsContact C-N 3.29Å; I220-L222 PolarHBondContact O-N 3.4Å; I220-I223 WeakPolarHBondContact O-CG1 3.48Å; I220-I223 PolarHBondContact O-N 2.62Å; I220-R224 HydrophobicContact CG1-CB 4.4Å; I220-R224 HydrophobicContact CG1-CG 4.08Å; I220-R224 WeakPolarHBondContact O-CB 3.39Å; I220-R224 PolarHBondContact O-N 3.26Å; I220-M227 HydrophobicContact CB-CE 4.49Å; I220-M227 HydrophobicContact CD1-CE 3.1Å; I220-M227 HydrophobicContact CG1-CE 3.45Å; I220-M227 VanDerWaalsContact CG1-CE 3.45Å; I220-M227 HydrophobicContact CG2-CE 4.34Å; I220-Y231 HydrophobicContact CG2-CE2 4.02Å
221R86.3Confident81.8Confident34 Ų3453 Ų5313%0.12831%0.309CS..Hα-helixtrans-70.9-18.6176.1-177.1164.6-178-179.89.5114.5R139 K170 M171 Y219 M227 D228 Y231R139-R221 PolarHBondContact NH1-O 3.36Å; K170-R221 VanDerWaalsContact CB-CD 3.47Å; K170-R221 HydrophobicContact CB-CG 3.98Å; K170-R221 WeakPolarHBondContact O-CD 3.18Å; K170-R221 PolarHBondContact O-NH1 3.21Å; M171-R221 HydrophobicContact CE-CB 3.83Å; M171-R221 HydrophobicContact CG-CB 3.39Å; M171-R221 HydrophobicContact CG-CG 4.14Å; M171-R221 HydrophobicContact SD-CB 3.32Å; M171-R221 WeakPolarHBondContact SD-CB 3.2Å; Y219-R221 VanDerWaalsContact C-N 3.27Å; Y219-R221 PolarHBondContact O-N 3.07Å; Y219-R221 VanDerWaalsContact O-N 3.08Å; R221-M227 HydrophobicContact CB-CB 4.35Å; R221-M227 HydrophobicContact CG-CB 4.34Å; R221-D228 IonicContact CZ-OD1 2.62Å; R221-D228 IonicContact NE-OD1 3.9Å; R221-D228 PolarHBondContact NE-OD1 3.24Å; R221-D228 IonicContact NH2-OD1 3.39Å; R221-D228 PolarHBondContact NH2-OD1 3.46Å; R221-Y231 HydrophobicContact CB-CD2 4.48Å; R221-Y231 PolarHBondContact NH1-O 3.18Å; R221-Y231 VanDerWaalsContact NH1-O 3.1Å
222L86.9Confident80.4Confident0 Ų047.5 Ų47.50%028%0.284CS..Hα-helixtrans-81.2-30.5173.3-57.5-175.8000112.1L80 R139 I143 L166 A169 K170 Y219 I220L80-L222 HydrophobicContact CB-CD1 4.5Å; L80-L222 HydrophobicContact CB-CD2 4.35Å; L80-L222 VanDerWaalsContact O-CD2 3.26Å; L80-L222 WeakPolarHBondContact O-CD2 3.45Å; R139-L222 WeakPolarHBondContact CB-O 3.49Å; R139-L222 WeakPolarHBondContact CD-O 3.49Å; I143-L222 HydrophobicContact CD1-CB 4.01Å; L166-L222 HydrophobicContact CB-CD1 4.2Å; L166-L222 HydrophobicContact CD2-CD1 4.28Å; A169-L222 HydrophobicContact CB-CD1 3.91Å; A169-L222 HydrophobicContact CB-CD2 3.93Å; A169-L222 HydrophobicContact CB-CG 4.12Å; K170-L222 HydrophobicContact CD-CD2 4.49Å; Y219-L222 WeakPolarHBondContact O-CA 3.44Å; Y219-L222 WeakPolarHBondContact O-CB 3.29Å; Y219-L222 PolarHBondContact O-N 3.18Å; I220-L222 VanDerWaalsContact C-N 3.29Å; I220-L222 PolarHBondContact O-N 3.4Å
223I83.7Confident78.7Confident37 Ų3755.3 Ų55.319%0.1931%0.313CS..Hα-helixtrans-106.2-24.2-169.356.1165.7000114.8I143 D216 Y219 I220I143-I223 HydrophobicContact CD1-CG2 3.45Å; I143-I223 VanDerWaalsContact CD1-CG2 3.45Å; D216-I223 HydrophobicContact CB-CD1 3.77Å; Y219-I223 PolarHBondContact O-N 3.38Å; I220-I223 WeakPolarHBondContact O-CG1 3.48Å; I220-I223 PolarHBondContact O-N 2.62Å
224R80.3Confident77.3Confident89 Ų8960.1 Ų60.134%0.33633%0.328SS..  trans-108.4143.1-175.3-66.6-163.2178.5-163.5-1.2112.6T212 I220 M227T212-R224 VanDerWaalsContact OG1-CZ 3.23Å; T212-R224 PolarHBondContact OG1-NH1 3.03Å; I220-R224 HydrophobicContact CG1-CB 4.4Å; I220-R224 HydrophobicContact CG1-CG 4.08Å; I220-R224 WeakPolarHBondContact O-CB 3.39Å; I220-R224 PolarHBondContact O-N 3.26Å; R224-M227 HydrophobicContact CB-CG 3.77Å
225E74.8Confident75.8Confident159 Ų15957 Ų5774%0.74330%0.301SS*.THydrogen-bonded Turntrans-72.6156.4171.6-164.2171.2-174.300111.4L136 M227L136-E225 HydrophobicContact CD2-CB 3.81Å; L136-E225 HydrophobicContact CD2-CG 4.3Å; E225-M227 PolarHBondContact O-N 2.94Å
226G72.3Confident75Confident53 Ų5353.6 Ų53.655%0.54627%0.272SS..THydrogen-bonded Turntrans75.9-0.2173.300000115.6D228G226-D228 VanDerWaalsContact C-N 3.33Å; G226-D228 PolarHBondContact O-N 3.33Å
227M73.9Confident74.4Confident6 Ų652.7 Ų52.73%0.0327%0.269CS..G310 helixtrans-80.9-10.2-174.7-60-51.2-112.100114.6L208 I220 R221 R224 E225 N229 L230 Y231L208-M227 HydrophobicContact CB-CE 4.03Å; L208-M227 HydrophobicContact CD1-SD 4.41Å; I220-M227 HydrophobicContact CB-CE 4.49Å; I220-M227 HydrophobicContact CD1-CE 3.1Å; I220-M227 HydrophobicContact CG1-CE 3.45Å; I220-M227 VanDerWaalsContact CG1-CE 3.45Å; I220-M227 HydrophobicContact CG2-CE 4.34Å; R221-M227 HydrophobicContact CB-CB 4.35Å; R221-M227 HydrophobicContact CG-CB 4.34Å; R224-M227 HydrophobicContact CB-CG 3.77Å; E225-M227 PolarHBondContact O-N 2.94Å; M227-N229 VanDerWaalsContact C-N 3.31Å; M227-N229 PolarHBondContact O-N 3.43Å; M227-L230 PolarHBondContact O-N 3.08Å; M227-L230 HydrophobicContact SD-CD1 4.09Å; M227-Y231 HydrophobicContact CB-CD2 4.14Å; M227-Y231 HydrophobicContact CB-CE2 4.3Å; M227-Y231 HydrophobicContact CE-CE2 3.63Å; M227-Y231 PolarHBondContact O-N 3.12Å; M227-Y231 HydrophobicContact SD-CE2 4.26Å
228D67.8Low73.9Confident56 Ų5653.9 Ų53.930%0.29927%0.274SS..G310 helixtrans-67.2-32.7-174.2-69.7-50.2000113.2R221 G226 L230 G232R221-D228 IonicContact CZ-OD1 2.62Å; R221-D228 IonicContact NE-OD1 3.9Å; R221-D228 PolarHBondContact NE-OD1 3.24Å; R221-D228 IonicContact NH2-OD1 3.39Å; R221-D228 PolarHBondContact NH2-OD1 3.46Å; G226-D228 VanDerWaalsContact C-N 3.33Å; G226-D228 PolarHBondContact O-N 3.33Å; D228-L230 VanDerWaalsContact C-N 3.33Å; D228-G232 WeakPolarHBondContact O-CA 3.48Å; D228-G232 PolarHBondContact O-N 3.29Å
229N63.7Low73.2Confident133 Ų13353.2 Ų53.271%0.71127%0.27SS*.G310 helixtrans-83.2-6.7178.8-67.1-18.4000113.6M227 C235M227-N229 VanDerWaalsContact C-N 3.31Å; M227-N229 PolarHBondContact O-N 3.43Å; N229-C235 PolarHBondContact O-SG 2.79Å
230L64.3Low72.6Confident22 Ų2253.5 Ų53.512%0.11527%0.271CS..THydrogen-bonded Turntrans-106.9-32.4-175.2-70.6156.7000111.9E204 A205 L208 M227 D228 H236E204-L230 HydrophobicContact CB-CD2 3.75Å; A205-L230 HydrophobicContact CB-CB 4.42Å; L208-L230 HydrophobicContact CD1-CD1 3.08Å; L208-L230 HydrophobicContact CD1-CD2 4.35Å; L208-L230 HydrophobicContact CD1-CG 4.28Å; M227-L230 PolarHBondContact O-N 3.08Å; M227-L230 HydrophobicContact SD-CD1 4.09Å; D228-L230 VanDerWaalsContact C-N 3.33Å; L230-H236 PolarHBondContact O-NE2 3.42Å
231Y65.1Low72.3Confident11 Ų1158.6 Ų58.64%0.04330%0.297CS..SBendtrans-110.212.4176.3-53-66.3000112.5M171 F174 A205 I220 R221 M227M171-Y231 HydrophobicContact CB-CG 4.46Å; M171-Y231 HydrophobicContact CG-CD1 4.48Å; M171-Y231 HydrophobicContact CG-CD2 3.98Å; M171-Y231 HydrophobicContact CG-CG 3.82Å; M171-Y231 HydrophobicContact SD-CD2 3.75Å; M171-Y231 HydrophobicContact SD-CE2 3.95Å; M171-Y231 HydrophobicContact SD-CG 4.04Å; F174-Y231 HydrophobicContact CB-CD1 3.6Å; F174-Y231 HydrophobicContact CB-CE1 4.19Å; F174-Y231 AromaticContact CD1-CD1 3.75Å; F174-Y231 HydrophobicContact CD1-CD1 3.75Å; F174-Y231 AromaticContact CD1-CE1 3.43Å; F174-Y231 HydrophobicContact CD1-CE1 3.43Å; F174-Y231 VanDerWaalsContact CD1-CE1 3.43Å; F174-Y231 AromaticContact CD2-CD1 3.76Å; F174-Y231 HydrophobicContact CD2-CD1 3.76Å; F174-Y231 AromaticContact CD2-CE1 3.68Å; F174-Y231 HydrophobicContact CD2-CE1 3.68Å; F174-Y231 HydrophobicContact CE1-CD1 4.34Å; F174-Y231 AromaticContact CE1-CE1 3.56Å; F174-Y231 HydrophobicContact CE1-CE1 3.56Å; F174-Y231 HydrophobicContact CE2-CD1 4.35Å; F174-Y231 AromaticContact CE2-CE1 3.81Å; F174-Y231 HydrophobicContact CE2-CE1 3.81Å; F174-Y231 AromaticContact CG-CD1 3.42Å; F174-Y231 HydrophobicContact CG-CD1 3.42Å; F174-Y231 VanDerWaalsContact CG-CD1 3.42Å; F174-Y231 AromaticContact CG-CE1 3.49Å; F174-Y231 HydrophobicContact CG-CE1 3.49Å; F174-Y231 VanDerWaalsContact CG-CE1 3.49Å; F174-Y231 AromaticContact CZ-CE1 3.76Å; F174-Y231 HydrophobicContact CZ-CE1 3.76Å; A205-Y231 HydrophobicContact CB-CD1 4.23Å; A205-Y231 HydrophobicContact CB-CE1 3.72Å; A205-Y231 PolarHBondContact O-OH 3.46Å; I220-Y231 HydrophobicContact CG2-CE2 4.02Å; R221-Y231 HydrophobicContact CB-CD2 4.48Å; R221-Y231 PolarHBondContact NH1-O 3.18Å; R221-Y231 VanDerWaalsContact NH1-O 3.1Å; M227-Y231 HydrophobicContact CB-CD2 4.14Å; M227-Y231 HydrophobicContact CB-CE2 4.3Å; M227-Y231 HydrophobicContact CE-CE2 3.63Å; M227-Y231 PolarHBondContact O-N 3.12Å; M227-Y231 HydrophobicContact SD-CE2 4.26Å
232G60.2Low72.1Confident15 Ų1561.2 Ų61.216%0.15531%0.308CS..SBendtrans-66.8163.8-179.700000113.7D228 N234D228-G232 WeakPolarHBondContact O-CA 3.48Å; D228-G232 PolarHBondContact O-N 3.29Å; G232-N234 PolarHBondContact O-N 3.13Å
233W52.9Low71.8Confident169 Ų16961.2 Ų61.264%0.6431%0.308SS*.THydrogen-bonded Turntrans-60.9-24.8-179.3-107.180.7000114T237 R240W233-T237 PolarHBondContact O-OG1 3.1Å; W233-R240 VanDerWaalsContact CD1-NH1 3.31Å; W233-R240 VanDerWaalsContact CG-NH1 3.29Å
234N59.6Low71.6Confident142 Ų14263.7 Ų63.776%0.75932%0.32SS*.THydrogen-bonded Turntrans-99.4-9.6-168.5-63.6-12.9000114.1G232 T237G232-N234 PolarHBondContact O-N 3.13Å; N234-T237 WeakPolarHBondContact CA-OG1 3.47Å
235C59.9Low71.8Confident21 Ų2162 Ų6214%0.14232%0.324CS..THydrogen-bonded Turntrans-89.9-26.9-163.4-47.30000112.9H201 N229H201-C235 HydrophobicContact CB-CB 4.42Å; H201-C235 PolarHBondContact CD2-O 3.42Å; N229-C235 PolarHBondContact O-SG 2.79Å
236H72.1Confident72Confident9 Ų956.5 Ų56.54%0.04230%0.3CS..SBendtrans-140.145173.3-27.3-63.9000111.2I177 D198 H201 L202 L230 K238 T239 R240I177-H236 HydrophobicContact CD1-CB 4.16Å; D198-H236 HydrophobicContact CB-CB 4.28Å; D198-H236 PolarHBondContact O-ND1 2.88Å; D198-H236 VanDerWaalsContact O-ND1 3.14Å; D198-H236 WeakPolarHBondContact OD2-CA 3.43Å; H201-H236 WeakPolarHBondContact CB-CE1 3.23Å; H201-H236 WeakPolarHBondContact CB-ND1 3.37Å; H201-H236 PolarHBondContact O-CE1 3.44Å; H201-H236 VanDerWaalsContact O-CE1 3.28Å; L202-H236 WeakPolarHBondContact CA-CE1 3.42Å; L202-H236 PolarHBondContact N-CE1 2.97Å; L202-H236 PolarHBondContact N-ND1 2.99Å; L230-H236 PolarHBondContact O-NE2 3.42Å; H236-K238 PolarHBondContact O-N 3.22Å; H236-T239 PolarHBondContact O-N 3.17Å; H236-R240 VanDerWaalsContact O-CB 3.26Å; H236-R240 WeakPolarHBondContact O-CB 3.06Å; H236-R240 PolarHBondContact O-N 3.02Å
237T76.4Confident72.3Confident57 Ų5754.3 Ų54.335%0.3528%0.277SS..Hα-helixtrans-54.2-42-171.9-53.80000111.9D198 W233 N234 L241D198-T237 PolarHBondContact OD2-N 3.27Å; W233-T237 PolarHBondContact O-OG1 3.1Å; N234-T237 WeakPolarHBondContact CA-OG1 3.47Å; T237-L241 HydrophobicContact CG2-CD1 4.26Å; T237-L241 WeakPolarHBondContact O-CG 2.94Å; T237-L241 PolarHBondContact O-N 3.19Å
238K79.6Confident72.7Confident66 Ų6660.4 Ų60.429%0.28730%0.303SS..Hα-helixtrans-71.4-47.5-179-62.1168175.6-174.40110.8Y194 L195 D198 H236 R240 L241 Y242Y194-K238 HydrophobicContact CD1-CD 4.03Å; Y194-K238 HydrophobicContact CE1-CD 3.45Å; Y194-K238 VanDerWaalsContact CE1-CD 3.45Å; Y194-K238 HydrophobicContact CE1-CG 4.16Å; Y194-K238 PolarHBondContact O-NZ 3.37Å; Y194-K238 WeakPolarHBondContact OH-CE 3.42Å; Y194-K238 PolarHBondContact OH-NZ 3.07Å; L195-K238 HydrophobicContact CD2-CB 3.41Å; L195-K238 VanDerWaalsContact CD2-CB 3.41Å; L195-K238 HydrophobicContact CD2-CD 3.98Å; L195-K238 HydrophobicContact CD2-CG 4.37Å; D198-K238 WeakPolarHBondContact OD2-CB 3.34Å; D198-K238 PolarHBondContact OD2-N 2.82Å; H236-K238 PolarHBondContact O-N 3.22Å; K238-R240 VanDerWaalsContact C-N 3.27Å; K238-R240 PolarHBondContact O-N 3.16Å; K238-L241 PolarHBondContact O-N 3.4Å; K238-L241 VanDerWaalsContact O-N 3.12Å; K238-Y242 WeakPolarHBondContact O-CD2 3.15Å; K238-Y242 PolarHBondContact O-N 3.03Å
239T77.5Confident73.2Confident0 Ų061.2 Ų61.20%031%0.31CS..Hα-helixtrans-60.7-39.2178.9-550000111.5I177 L181 L190 D198 L202 H236 Y242 S243I177-T239 HydrophobicContact CD1-CG2 3.87Å; I177-T239 HydrophobicContact CG1-CG2 4.03Å; I177-T239 HydrophobicContact CG2-CG2 4.17Å; L181-T239 HydrophobicContact CD1-CG2 3.49Å; L181-T239 VanDerWaalsContact CD1-CG2 3.49Å; L181-T239 WeakPolarHBondContact CD1-O 3.32Å; L190-T239 HydrophobicContact CD2-CG2 3.81Å; D198-T239 VanDerWaalsContact CB-OG1 3.25Å; D198-T239 WeakPolarHBondContact CB-OG1 3.42Å; D198-T239 PolarHBondContact OD2-N 3.04Å; D198-T239 PolarHBondContact OD2-OG1 2.97Å; L202-T239 HydrophobicContact CD2-CG2 4.25Å; H236-T239 PolarHBondContact O-N 3.17Å; T239-Y242 PolarHBondContact O-N 2.91Å; T239-S243 PolarHBondContact O-N 3Å
240R77.8Confident73.8Confident45 Ų4556.4 Ų56.417%0.1729%0.289CS..Hα-helixtrans-65.4-41174-179.1-177.5170.9-171.7-6112.5I177 W233 H236 K238 Y242 S243 M244I177-R240 HydrophobicContact CD1-CB 4.4Å; W233-R240 VanDerWaalsContact CD1-NH1 3.31Å; W233-R240 VanDerWaalsContact CG-NH1 3.29Å; H236-R240 VanDerWaalsContact O-CB 3.26Å; H236-R240 WeakPolarHBondContact O-CB 3.06Å; H236-R240 PolarHBondContact O-N 3.02Å; K238-R240 VanDerWaalsContact C-N 3.27Å; K238-R240 PolarHBondContact O-N 3.16Å; R240-Y242 VanDerWaalsContact C-N 3.3Å; R240-Y242 PolarHBondContact O-N 2.91Å; R240-S243 WeakPolarHBondContact CA-OG 3.12Å; R240-S243 PolarHBondContact O-N 2.69Å; R240-S243 PolarHBondContact O-OG 3.44Å; R240-M244 HydrophobicContact CG-SD 4.24Å; R240-M244 WeakPolarHBondContact O-CB 3.39Å; R240-M244 VanDerWaalsContact O-CG 3.31Å; R240-M244 WeakPolarHBondContact O-CG 3.44Å; R240-M244 PolarHBondContact O-N 2.94Å
241L82.2Confident74.1Confident106 Ų10658.1 Ų58.156%0.55530%0.302SS*.Hα-helixtrans-62.6-40.5176.4-74.6169.6000111.2T237 K238 M244 A245T237-L241 HydrophobicContact CG2-CD1 4.26Å; T237-L241 WeakPolarHBondContact O-CG 2.94Å; T237-L241 PolarHBondContact O-N 3.19Å; K238-L241 PolarHBondContact O-N 3.4Å; K238-L241 VanDerWaalsContact O-N 3.12Å; L241-M244 PolarHBondContact O-N 3.14Å; L241-A245 WeakPolarHBondContact O-CB 2.99Å; L241-A245 PolarHBondContact O-N 2.87Å
242Y82.3Confident74.7Confident89 Ų8962.2 Ų62.235%0.34932%0.322SS..Hα-helixtrans-63.5-44.4173.5-78.2-66000112.4I189 L195 K238 T239 R240 M244 A245 I246I189-Y242 HydrophobicContact CD1-CD1 4.5Å; I189-Y242 HydrophobicContact CD1-CE1 4.1Å; I189-Y242 HydrophobicContact CD1-CE2 4.2Å; I189-Y242 HydrophobicContact CG1-CD1 4.16Å; I189-Y242 HydrophobicContact CG1-CD2 3.95Å; I189-Y242 HydrophobicContact CG1-CE1 4.23Å; I189-Y242 HydrophobicContact CG1-CE2 4.03Å; I189-Y242 HydrophobicContact CG1-CG 4.03Å; L195-Y242 HydrophobicContact CD1-CD2 4.38Å; L195-Y242 HydrophobicContact CD2-CD2 4.42Å; L195-Y242 HydrophobicContact CD2-CE2 4.26Å; K238-Y242 WeakPolarHBondContact O-CD2 3.15Å; K238-Y242 PolarHBondContact O-N 3.03Å; T239-Y242 PolarHBondContact O-N 2.91Å; R240-Y242 VanDerWaalsContact C-N 3.3Å; R240-Y242 PolarHBondContact O-N 2.91Å; Y242-M244 VanDerWaalsContact C-N 3.3Å; Y242-M244 PolarHBondContact O-N 3.32Å; Y242-A245 PolarHBondContact O-N 3.03Å; Y242-I246 WeakPolarHBondContact O-CB 3.43Å; Y242-I246 WeakPolarHBondContact O-CG1 3.4Å; Y242-I246 PolarHBondContact O-N 2.8Å
243S81.1Confident75.1Confident0 Ų065.7 Ų65.70%034%0.336CS..Hα-helixtrans-63.7-36.8177.371.90000112.3L176 Y180 T239 R240 G247L176-S243 WeakPolarHBondContact CB-OG 2.77Å; Y180-S243 WeakPolarHBondContact CD2-O 3.4Å; T239-S243 PolarHBondContact O-N 3Å; R240-S243 WeakPolarHBondContact CA-OG 3.12Å; R240-S243 PolarHBondContact O-N 2.69Å; R240-S243 PolarHBondContact O-OG 3.44Å; S243-G247 PolarHBondContact O-N 3.19Å
244M80.7Confident75.7Confident90 Ų9062.7 Ų62.744%0.44333%0.332SS..Hα-helixtrans-65.6-43.6172.9-74.2178.464.900112.4L176 R240 L241 Y242 G247 K248L176-M244 HydrophobicContact CD1-CG 3.72Å; R240-M244 HydrophobicContact CG-SD 4.24Å; R240-M244 WeakPolarHBondContact O-CB 3.39Å; R240-M244 VanDerWaalsContact O-CG 3.31Å; R240-M244 WeakPolarHBondContact O-CG 3.44Å; R240-M244 PolarHBondContact O-N 2.94Å; L241-M244 PolarHBondContact O-N 3.14Å; Y242-M244 VanDerWaalsContact C-N 3.3Å; Y242-M244 PolarHBondContact O-N 3.32Å; M244-G247 PolarHBondContact O-N 2.89Å; M244-K248 WeakPolarHBondContact O-CB 3.21Å; M244-K248 PolarHBondContact O-N 3.1Å
245A83.2Confident75.8Confident52 Ų5264.3 Ų64.343%0.4333%0.328SS..Hα-helixtrans-63.8-48.2178.800000111.4L241 Y242 K248 T249L241-A245 WeakPolarHBondContact O-CB 2.99Å; L241-A245 PolarHBondContact O-N 2.87Å; Y242-A245 PolarHBondContact O-N 3.03Å; A245-K248 PolarHBondContact O-N 2.78Å; A245-T249 PolarHBondContact O-N 3.21Å; A245-T249 VanDerWaalsContact O-N 3.09Å; A245-T249 PolarHBondContact O-OG1 3.01Å; A245-T249 VanDerWaalsContact O-OG1 3.1Å
246I79.8Confident75.8Confident45 Ų4567.3 Ų67.323%0.23135%0.346CS..Hα-helixtrans-62.7-44.2176.8-70163.2000110.5L181 Y242 K248 T249 A250L181-I246 HydrophobicContact CD2-CD1 3.46Å; L181-I246 VanDerWaalsContact CD2-CD1 3.46Å; Y242-I246 WeakPolarHBondContact O-CB 3.43Å; Y242-I246 WeakPolarHBondContact O-CG1 3.4Å; Y242-I246 PolarHBondContact O-N 2.8Å; I246-K248 VanDerWaalsContact C-N 3.35Å; I246-K248 PolarHBondContact O-N 2.8Å; I246-T249 PolarHBondContact O-N 3.45Å; I246-A250 WeakPolarHBondContact O-CB 3.02Å; I246-A250 PolarHBondContact O-N 3.04Å
247G77.6Confident74.9Confident6 Ų672.1 Ų72.16%0.06237%0.371CS..Hα-helixtrans-63.2-38178.200000113.7Y180 S243 M244 A250 C251Y180-G247 VanDerWaalsContact CE1-CA 3.5Å; Y180-G247 VanDerWaalsContact CE2-CA 3.49Å; S243-G247 PolarHBondContact O-N 3.19Å; M244-G247 PolarHBondContact O-N 2.89Å; G247-A250 PolarHBondContact O-N 3.18Å; G247-C251 WeakPolarHBondContact O-CB 3.49Å; G247-C251 PolarHBondContact O-N 3.33Å
248K82.4Confident73.8Confident134 Ų13473.4 Ų73.458%0.58339%0.388SS*.Hα-helixtrans-61.4-50.7173.2-179.5179.1171.3-176.80110.8M244 A245 I246 A250 C251 E252M244-K248 WeakPolarHBondContact O-CB 3.21Å; M244-K248 PolarHBondContact O-N 3.1Å; A245-K248 PolarHBondContact O-N 2.78Å; I246-K248 VanDerWaalsContact C-N 3.35Å; I246-K248 PolarHBondContact O-N 2.8Å; K248-A250 VanDerWaalsContact C-N 3.33Å; K248-A250 PolarHBondContact O-N 2.88Å; K248-C251 WeakPolarHBondContact O-CB 3.29Å; K248-C251 PolarHBondContact O-N 3.46Å; K248-C251 VanDerWaalsContact O-N 3.15Å; K248-E252 WeakPolarHBondContact CE-OE1 3.47Å; K248-E252 IonicContact NZ-OE1 3.91Å; K248-E252 WeakPolarHBondContact O-CG 3.44Å; K248-E252 PolarHBondContact O-N 3.23Å
249T79.2Confident72.2Confident74 Ų7475.6 Ų75.645%0.45441%0.41SS..Hα-helixtrans-59-43.9177.7-54.90000111.6A245 I246 C251 E252 I253A245-T249 PolarHBondContact O-N 3.21Å; A245-T249 VanDerWaalsContact O-N 3.09Å; A245-T249 PolarHBondContact O-OG1 3.01Å; A245-T249 VanDerWaalsContact O-OG1 3.1Å; I246-T249 PolarHBondContact O-N 3.45Å; T249-C251 VanDerWaalsContact C-N 3.33Å; T249-C251 PolarHBondContact O-N 3.06Å; T249-E252 PolarHBondContact O-N 3.08Å; T249-I253 HydrophobicContact CG2-CD1 3.89Å; T249-I253 HydrophobicContact CG2-CG1 4.48Å; T249-I253 VanDerWaalsContact O-CG1 3.31Å; T249-I253 WeakPolarHBondContact O-CG1 3.49Å; T249-I253 PolarHBondContact O-N 3.37Å
250A75.3Confident70.4Confident32 Ų3285.6 Ų85.626%0.26446%0.456SS..Hα-helixtrans-61.4-39.7176.700000112.4Y180 I246 G247 K248 N254Y180-A250 HydrophobicContact CE1-CB 4.23Å; I246-A250 WeakPolarHBondContact O-CB 3.02Å; I246-A250 PolarHBondContact O-N 3.04Å; G247-A250 PolarHBondContact O-N 3.18Å; K248-A250 VanDerWaalsContact C-N 3.33Å; K248-A250 PolarHBondContact O-N 2.88Å; A250-N254 WeakPolarHBondContact O-CB 3.47Å; A250-N254 VanDerWaalsContact O-CG 3.32Å; A250-N254 PolarHBondContact O-N 3.33Å; A250-N254 PolarHBondContact O-ND2 3.01Å
251C72.3Confident70Confident58 Ų5887.6 Ų87.639%0.39247%0.47SS..Hα-helixtrans-66.7-41.6176.1-170.30000112.2G247 K248 T249 N254 R255G247-C251 WeakPolarHBondContact O-CB 3.49Å; G247-C251 PolarHBondContact O-N 3.33Å; K248-C251 WeakPolarHBondContact O-CB 3.29Å; K248-C251 PolarHBondContact O-N 3.46Å; K248-C251 VanDerWaalsContact O-N 3.15Å; T249-C251 VanDerWaalsContact C-N 3.33Å; T249-C251 PolarHBondContact O-N 3.06Å; C251-N254 PolarHBondContact O-N 3.15Å; C251-R255 WeakPolarHBondContact O-CG 3.42Å; C251-R255 PolarHBondContact O-N 2.83Å
252E76.8Confident69.4Low96 Ų9686.6 Ų86.645%0.44947%0.466SS..Hα-helixtrans-65-42.9177.3-71.9171.717500112K248 T249 R255 T256K248-E252 WeakPolarHBondContact CE-OE1 3.47Å; K248-E252 IonicContact NZ-OE1 3.91Å; K248-E252 WeakPolarHBondContact O-CG 3.44Å; K248-E252 PolarHBondContact O-N 3.23Å; T249-E252 PolarHBondContact O-N 3.08Å; E252-R255 PolarHBondContact O-N 3.17Å; E252-T256 PolarHBondContact O-N 2.83Å; E252-T256 PolarHBondContact O-OG1 3.45Å
253I69.5Low68.6Low89 Ų8986.5 Ų86.546%0.45647%0.472SS..Hα-helixtrans-61.5-48.7174.2-67.9167.8000110.5T249 R255 T256 L257T249-I253 HydrophobicContact CG2-CD1 3.89Å; T249-I253 HydrophobicContact CG2-CG1 4.48Å; T249-I253 VanDerWaalsContact O-CG1 3.31Å; T249-I253 WeakPolarHBondContact O-CG1 3.49Å; T249-I253 PolarHBondContact O-N 3.37Å; I253-R255 VanDerWaalsContact C-N 3.32Å; I253-R255 PolarHBondContact O-N 3.44Å; I253-T256 WeakPolarHBondContact O-CB 3.41Å; I253-T256 PolarHBondContact O-N 3.4Å; I253-T256 VanDerWaalsContact O-N 3.08Å; I253-L257 HydrophobicContact CG2-CD1 3.75Å; I253-L257 HydrophobicContact CG2-CG 4.27Å; I253-L257 WeakPolarHBondContact O-CG 3.15Å; I253-L257 PolarHBondContact O-N 2.63Å
254N64.4Low67.9Low105 Ų10591.6 Ų91.656%0.56150%0.5SS*.Hα-helixtrans-62.9-36.3179.6-77-20.7000112.8A250 C251 T256 A258A250-N254 WeakPolarHBondContact O-CB 3.47Å; A250-N254 VanDerWaalsContact O-CG 3.32Å; A250-N254 PolarHBondContact O-N 3.33Å; A250-N254 PolarHBondContact O-ND2 3.01Å; C251-N254 PolarHBondContact O-N 3.15Å; N254-T256 VanDerWaalsContact C-N 3.35Å; N254-A258 VanDerWaalsContact O-CB 3.23Å; N254-A258 WeakPolarHBondContact O-CB 2.94Å; N254-A258 PolarHBondContact O-N 3.3Å
255R62.8Low67.1Low177 Ų17791.7 Ų91.767%0.66850%0.504SS*.Hα-helixtrans-63.8-41.2172.1-78.2-179.8179.7-178.20.2112C251 E252 I253 A258 C259C251-R255 WeakPolarHBondContact O-CG 3.42Å; C251-R255 PolarHBondContact O-N 2.83Å; E252-R255 PolarHBondContact O-N 3.17Å; I253-R255 VanDerWaalsContact C-N 3.32Å; I253-R255 PolarHBondContact O-N 3.44Å; R255-A258 PolarHBondContact O-N 3.18Å; R255-C259 PolarHBondContact O-N 2.9Å; R255-C259 PolarHBondContact O-SG 2.72Å; R255-C259 VanDerWaalsContact O-SG 3.35Å
256T59.8Low66Low84 Ų8494.3 Ų94.352%0.51551%0.509SS..Hα-helixtrans-66.1-42.5178.7-50.20000110.9E252 I253 N254 C259 H260E252-T256 PolarHBondContact O-N 2.83Å; E252-T256 PolarHBondContact O-OG1 3.45Å; I253-T256 WeakPolarHBondContact O-CB 3.41Å; I253-T256 PolarHBondContact O-N 3.4Å; I253-T256 VanDerWaalsContact O-N 3.08Å; N254-T256 VanDerWaalsContact C-N 3.35Å; T256-C259 PolarHBondContact O-N 3.24Å; T256-H260 PolarHBondContact O-CD2 3.08Å; T256-H260 VanDerWaalsContact O-CD2 3.25Å
257L53Low65Low110 Ų11097.9 Ų97.958%0.57653%0.528SS*.Hα-helixtrans-70.4-32.2176.9-68.2172.8000113.2I253 C259 H260I253-L257 HydrophobicContact CG2-CD1 3.75Å; I253-L257 HydrophobicContact CG2-CG 4.27Å; I253-L257 WeakPolarHBondContact O-CG 3.15Å; I253-L257 PolarHBondContact O-N 2.63Å; L257-C259 PolarHBondContact O-N 3.24Å; L257-H260 PolarHBondContact O-N 2.83Å
258A53.1Low64.1Low84 Ų84104.9 Ų104.969%0.69456%0.564SS**THydrogen-bonded Turntrans-74.9-9.3175.800000113.7N254 R255N254-A258 VanDerWaalsContact O-CB 3.23Å; N254-A258 WeakPolarHBondContact O-CB 2.94Å; N254-A258 PolarHBondContact O-N 3.3Å; R255-A258 PolarHBondContact O-N 3.18Å
259C46.1Very low62.6Low111 Ų111102.5 Ų102.575%0.7556%0.563SS**THydrogen-bonded Turntrans-1005.9175.3-69.70000113.6R255 T256 L257R255-C259 PolarHBondContact O-N 2.9Å; R255-C259 PolarHBondContact O-SG 2.72Å; R255-C259 VanDerWaalsContact O-SG 3.35Å; T256-C259 PolarHBondContact O-N 3.24Å; L257-C259 PolarHBondContact O-N 3.24Å
260H38.5Very low61Low210 Ų210105.1 Ų105.197%0.97257%0.573SS**  trans-114.70173-74-58.2000111.1T256 L257T256-H260 PolarHBondContact O-CD2 3.08Å; T256-H260 VanDerWaalsContact O-CD2 3.25Å; L257-H260 PolarHBondContact O-N 2.83Å

Retrieved 260 of 260 residues in 540.6 ms (Link to these results)

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