A0A3Q0KHZ5_SCHMA Loading...

Glycolipid transfer protein (Gltp), putative

AlphaFold DB , UniProt , Accession A0A3Q0KHZ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 220 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
1M34.5Very low67.2Low224 Ų22474.9 Ų74.9100%1.10344%0.44SS*.  0109.40-73.9175.617300106.9H3M1-H3 PolarHBondContact O-N 3.42Å; M1-H3 PolarHBondContact O-ND1 3.12Å
2G33.7Very low69.6Low85 Ų8575.7 Ų75.788%0.87643%0.431SS*.  trans-57.4111.9-176.600000110.1S4G2-S4 PolarHBondContact O-N 3.39Å
3H45.1Very low71.6Confident111 Ų11173.8 Ų73.851%0.51442%0.419SS..  trans-70.3118.7169.9-75.819.9000106.4M1 Y45 H171M1-H3 PolarHBondContact O-N 3.42Å; M1-H3 PolarHBondContact O-ND1 3.12Å; H3-Y45 AromaticContact CD2-CD2 3.63Å; H3-Y45 AromaticContact CD2-CE2 3.77Å; H3-Y45 AromaticContact NE2-CD2 3.72Å; H3-Y45 AromaticContact NE2-CE2 3.57Å; H3-H171 AromaticContact CD2-CE1 3.92Å
4S50.1Low73.4Confident72 Ų7268.8 Ų68.850%0.50339%0.391SS..  trans-52.4144.1173.254.30000110.2G2 N6 A7G2-S4 PolarHBondContact O-N 3.39Å; S4-N6 PolarHBondContact O-N 3.1Å; S4-A7 PolarHBondContact O-N 3.32Å
5D60.6Low75.1Confident137 Ų13767.5 Ų67.573%0.73338%0.378SS*.G310 helixtrans-46.8-20.6174.5-66.8-20000113.8A7 S8D5-A7 PolarHBondContact O-N 2.93Å; D5-S8 PolarHBondContact O-N 3.04Å; D5-S8 PolarHBondContact O-OG 3.04Å
6N71.1Confident76.5Confident115 Ų11568.6 Ų68.662%0.61538%0.382SS*.G310 helixtrans-65.2-15174.1-70.6-10.6000115.3S4 K41S4-N6 PolarHBondContact O-N 3.1Å; N6-K41 WeakPolarHBondContact O-CB 3.35Å
7A78.2Confident77.8Confident4 Ų467.4 Ų67.43%0.03337%0.372CS..G310 helixtrans-107.3-4.2-179.700000113.8S4 D5 V44 H171S4-A7 PolarHBondContact O-N 3.32Å; D5-A7 PolarHBondContact O-N 2.93Å; A7-V44 HydrophobicContact CB-CB 4.42Å; A7-V44 HydrophobicContact CB-CG1 4.24Å; A7-H171 PolarHBondContact O-NE2 3.19Å
8S86.4Confident78.9Confident36 Ų3663.6 Ų63.625%0.25235%0.351SS..  trans-80.4130.3178.563.70000111D5 K41D5-S8 PolarHBondContact O-N 3.04Å; D5-S8 PolarHBondContact O-OG 3.04Å; S8-K41 WeakPolarHBondContact O-CD 3.4Å
9L91Very high80Confident2 Ų266.2 Ų66.21%0.0136%0.359CS..  trans-103.8100.4176.6-17476.3000109.9L11 V14 E38 L42 M119 Q176L9-L11 HydrophobicContact CD2-CD2 4.16Å; L9-L11 PolarHBondContact O-N 3.27Å; L9-V14 HydrophobicContact CD1-CG2 3.6Å; L9-V14 HydrophobicContact CG-CG2 4.14Å; L9-E38 WeakPolarHBondContact CD1-O 3.18Å; L9-L42 HydrophobicContact CD2-CB 4.45Å; L9-L42 HydrophobicContact CD2-CD1 4.41Å; L9-L42 HydrophobicContact CD2-CD2 4.32Å; L9-M119 HydrophobicContact CD2-CE 3.94Å; L9-Q176 PolarHBondContact O-NE2 3.12Å
10N93.2Very high80.9Confident37 Ų3765.6 Ų65.620%0.19836%0.363CS..  trans-82.4114.7175.4178.3-37.5000110.1Y12 N13 V14 P177N10-Y12 PolarHBondContact O-N 3.11Å; N10-Y12 PolarHBondContact OD1-N 3.35Å; N10-Y12 VanDerWaalsContact OD1-N 3.07Å; N10-N13 HydrophobicContact CB-CB 3.84Å; N10-N13 WeakPolarHBondContact O-CB 3.33Å; N10-N13 PolarHBondContact O-N 3.47Å; N10-N13 PolarHBondContact OD1-N 3.25Å; N10-V14 WeakPolarHBondContact O-CG2 3.37Å; N10-V14 PolarHBondContact O-N 3.24Å; N10-P177 WeakPolarHBondContact ND2-CD 3.3Å; N10-P177 VanDerWaalsContact ND2-CG 3.26Å; N10-P177 WeakPolarHBondContact ND2-CG 3.42Å
11L95.7Very high81.7Confident1 Ų162.4 Ų62.41%0.00535%0.345CS..Hα-helixtrans-66.5-38.9-172.7-64.7-178.1000112.8L9 N13 V14 Y15 I172 L182 C188 F191 L192L9-L11 HydrophobicContact CD2-CD2 4.16Å; L9-L11 PolarHBondContact O-N 3.27Å; L11-N13 VanDerWaalsContact C-N 3.32Å; L11-N13 PolarHBondContact O-N 3.4Å; L11-V14 PolarHBondContact O-N 3.39Å; L11-Y15 WeakPolarHBondContact O-CB 3.14Å; L11-Y15 PolarHBondContact O-N 3.1Å; L11-I172 HydrophobicContact CD1-CG2 4.01Å; L11-I172 HydrophobicContact CD2-CG2 4.11Å; L11-I172 HydrophobicContact CG-CG2 4.17Å; L11-L182 HydrophobicContact CB-CD1 4.03Å; L11-L182 HydrophobicContact CD1-CD1 4.21Å; L11-C188 HydrophobicContact CD1-CB 3.91Å; L11-F191 HydrophobicContact CB-CD1 3.92Å; L11-F191 HydrophobicContact CB-CE1 4.02Å; L11-L192 HydrophobicContact CD1-CD1 4.25Å; L11-L192 HydrophobicContact CD1-CD2 4.43Å; L11-L192 HydrophobicContact CD1-CG 3.92Å; L11-L192 HydrophobicContact CD2-CD1 4.29Å; L11-L192 HydrophobicContact CD2-CD2 3.58Å; L11-L192 HydrophobicContact CD2-CG 3.97Å
12Y95.5Very high84.8Confident84 Ų8453.5 Ų53.533%0.32930%0.303SS..Hα-helixtrans-63.4-40.4174.1-84.8-76.6000111.8N10 Y15 N16 S180 L182 F191N10-Y12 PolarHBondContact O-N 3.11Å; N10-Y12 PolarHBondContact OD1-N 3.35Å; N10-Y12 VanDerWaalsContact OD1-N 3.07Å; Y12-Y15 PolarHBondContact O-N 2.64Å; Y12-N16 VanDerWaalsContact O-CB 3.31Å; Y12-N16 WeakPolarHBondContact O-CB 3.47Å; Y12-N16 VanDerWaalsContact O-CG 3.25Å; Y12-N16 PolarHBondContact O-N 3.01Å; Y12-N16 PolarHBondContact O-ND2 3.3Å; Y12-S180 WeakPolarHBondContact CE2-O 3.47Å; Y12-S180 PolarHBondContact OH-O 3Å; Y12-L182 HydrophobicContact CD2-CD1 3.75Å; Y12-L182 HydrophobicContact CD2-CG 4.4Å; Y12-L182 HydrophobicContact CE2-CD1 3.53Å; Y12-L182 HydrophobicContact CE2-CG 3.76Å; Y12-F191 HydrophobicContact CD1-CE1 4.36Å; Y12-F191 AromaticContact CD1-CE2 3.76Å; Y12-F191 HydrophobicContact CD1-CE2 3.76Å; Y12-F191 AromaticContact CD1-CZ 3.43Å; Y12-F191 HydrophobicContact CD1-CZ 3.43Å; Y12-F191 VanDerWaalsContact CD1-CZ 3.43Å; Y12-F191 HydrophobicContact CD2-CZ 4.41Å; Y12-F191 HydrophobicContact CE1-CD2 4.29Å; Y12-F191 AromaticContact CE1-CE2 3.3Å; Y12-F191 HydrophobicContact CE1-CE2 3.3Å; Y12-F191 AromaticContact CE1-CZ 3.53Å; Y12-F191 HydrophobicContact CE1-CZ 3.53Å; Y12-F191 HydrophobicContact CE2-CE2 4.31Å; Y12-F191 HydrophobicContact CE2-CZ 4.48Å; Y12-F191 HydrophobicContact CG-CE1 4.44Å; Y12-F191 HydrophobicContact CG-CE2 4.44Å; Y12-F191 AromaticContact CG-CZ 3.92Å; Y12-F191 HydrophobicContact CG-CZ 3.92Å; Y12-F191 AromaticContact CZ-CE2 3.63Å
13N95.8Very high87.7Confident52 Ų5253.7 Ų53.728%0.27828%0.284SS..Hα-helixtrans-65.8-43178.7-164.824.5000111.1N10 L11 N16 K17 E38N10-N13 HydrophobicContact CB-CB 3.84Å; N10-N13 WeakPolarHBondContact O-CB 3.33Å; N10-N13 PolarHBondContact O-N 3.47Å; N10-N13 PolarHBondContact OD1-N 3.25Å; L11-N13 VanDerWaalsContact C-N 3.32Å; L11-N13 PolarHBondContact O-N 3.4Å; N13-N16 PolarHBondContact O-N 3.46Å; N13-K17 WeakPolarHBondContact O-CB 3.26Å; N13-K17 VanDerWaalsContact O-CG 3.29Å; N13-K17 WeakPolarHBondContact O-CG 3.43Å; N13-K17 PolarHBondContact O-N 3.44Å; N13-K17 WeakPolarHBondContact OD1-CE 3.43Å; N13-E38 HydrophobicContact CB-CG 4.36Å; N13-E38 PolarHBondContact ND2-OE1 2.81Å; N13-E38 PolarHBondContact ND2-OE2 3.35Å; N13-E38 VanDerWaalsContact ND2-OE2 3.08Å
14V97.2Very high90.1Very high3 Ų350.9 Ų50.92%0.01829%0.285CS..Hα-helixtrans-57.9-52.6172.3176.80000110.2L9 N10 L11 N16 K17 F18 E38 T196 M200L9-V14 HydrophobicContact CD1-CG2 3.6Å; L9-V14 HydrophobicContact CG-CG2 4.14Å; N10-V14 WeakPolarHBondContact O-CG2 3.37Å; N10-V14 PolarHBondContact O-N 3.24Å; L11-V14 PolarHBondContact O-N 3.39Å; V14-N16 PolarHBondContact O-N 3.48Å; V14-K17 PolarHBondContact O-N 3.3Å; V14-F18 HydrophobicContact CG1-CD2 3.74Å; V14-F18 HydrophobicContact CG1-CE2 3.96Å; V14-F18 WeakPolarHBondContact O-CD2 3.21Å; V14-F18 PolarHBondContact O-N 3.03Å; V14-E38 HydrophobicContact CG2-CB 4.5Å; V14-E38 HydrophobicContact CG2-CG 3.74Å; V14-T196 HydrophobicContact CB-CG2 4.25Å; V14-T196 HydrophobicContact CG1-CG2 3.65Å; V14-M200 HydrophobicContact CG1-SD 4.21Å
15Y97.9Very high92.3Very high50 Ų5054.5 Ų54.520%0.19630%0.299CS..Hα-helixtrans-54.8-51.2178.4167.7-103.4000112.2L11 Y12 K17 F18 K19 F191 H195 V199L11-Y15 WeakPolarHBondContact O-CB 3.14Å; L11-Y15 PolarHBondContact O-N 3.1Å; Y12-Y15 PolarHBondContact O-N 2.64Å; Y15-K17 PolarHBondContact O-N 3.22Å; Y15-F18 PolarHBondContact O-N 2.75Å; Y15-K19 HydrophobicContact CE1-CD 4.1Å; Y15-K19 VanDerWaalsContact O-CB 3.27Å; Y15-K19 WeakPolarHBondContact O-CB 3.25Å; Y15-K19 PolarHBondContact O-N 3.13Å; Y15-K19 PolarHBondContact OH-NZ 3.32Å; Y15-F191 HydrophobicContact CD1-CZ 4.26Å; Y15-F191 HydrophobicContact CG-CZ 4.13Å; Y15-H195 HydrophobicContact CD2-CB 3.96Å; Y15-H195 HydrophobicContact CE2-CB 3.93Å; Y15-V199 HydrophobicContact CD2-CB 4.48Å; Y15-V199 HydrophobicContact CD2-CG1 3.68Å; Y15-V199 HydrophobicContact CE2-CB 4.46Å; Y15-V199 HydrophobicContact CE2-CG1 4.13Å
16N98.1Very high94.1Very high84 Ų8448.7 Ų48.745%0.44927%0.268SS..Hα-helixtrans-64.9-41.6-177.1-74-29.4000112.2Y12 N13 V14 K19 A20Y12-N16 VanDerWaalsContact O-CB 3.31Å; Y12-N16 WeakPolarHBondContact O-CB 3.47Å; Y12-N16 VanDerWaalsContact O-CG 3.25Å; Y12-N16 PolarHBondContact O-N 3.01Å; Y12-N16 PolarHBondContact O-ND2 3.3Å; N13-N16 PolarHBondContact O-N 3.46Å; V14-N16 PolarHBondContact O-N 3.48Å; N16-K19 PolarHBondContact O-N 2.9Å; N16-A20 PolarHBondContact O-N 2.94Å
17K98.3Very high95.4Very high48 Ų4843.2 Ų43.221%0.20924%0.238CC..Hα-helixtrans-66.1-46.1177.6-72.6175.4176.2-73.50111.5N13 V14 Y15 K19 A20 C21 E34 A35 E38N13-K17 WeakPolarHBondContact O-CB 3.26Å; N13-K17 VanDerWaalsContact O-CG 3.29Å; N13-K17 WeakPolarHBondContact O-CG 3.43Å; N13-K17 PolarHBondContact O-N 3.44Å; N13-K17 WeakPolarHBondContact OD1-CE 3.43Å; V14-K17 PolarHBondContact O-N 3.3Å; Y15-K17 PolarHBondContact O-N 3.22Å; K17-K19 VanDerWaalsContact C-N 3.29Å; K17-K19 PolarHBondContact O-N 3.23Å; K17-A20 WeakPolarHBondContact O-CB 3.49Å; K17-A20 PolarHBondContact O-N 3.42Å; K17-C21 PolarHBondContact O-N 3.43Å; K17-C21 PolarHBondContact O-SG 3.25Å; K17-E34 IonicContact NZ-OE2 3.55Å; K17-A35 HydrophobicContact CB-CB 3.82Å; K17-E38 HydrophobicContact CD-CB 3.61Å; K17-E38 HydrophobicContact CD-CG 3.96Å
18F98.5Very high96.4Very high0 Ų044.5 Ų44.50%024%0.244CC..Hα-helixtrans-64.8-33.1175.4-86.7-81.8000112.8V14 Y15 C21 A35 V39 L112 V199 M200 V203V14-F18 HydrophobicContact CG1-CD2 3.74Å; V14-F18 HydrophobicContact CG1-CE2 3.96Å; V14-F18 WeakPolarHBondContact O-CD2 3.21Å; V14-F18 PolarHBondContact O-N 3.03Å; Y15-F18 PolarHBondContact O-N 2.75Å; F18-C21 VanDerWaalsContact O-CB 3.32Å; F18-C21 WeakPolarHBondContact O-CB 3.44Å; F18-C21 PolarHBondContact O-N 2.9Å; F18-A35 HydrophobicContact CD1-CB 4.13Å; F18-A35 HydrophobicContact CD2-CB 3.82Å; F18-A35 HydrophobicContact CE1-CB 4.19Å; F18-A35 HydrophobicContact CE2-CB 3.88Å; F18-A35 HydrophobicContact CG-CB 3.94Å; F18-A35 HydrophobicContact CZ-CB 4.07Å; F18-V39 HydrophobicContact CE2-CB 4.09Å; F18-V39 HydrophobicContact CE2-CG1 4.1Å; F18-V39 HydrophobicContact CZ-CG1 4.1Å; F18-L112 HydrophobicContact CE1-CD1 3.93Å; F18-L112 HydrophobicContact CE1-CD2 4.06Å; F18-L112 HydrophobicContact CZ-CD1 3.75Å; F18-V199 HydrophobicContact CB-CG1 3.9Å; F18-V199 HydrophobicContact CB-CG2 4.38Å; F18-M200 HydrophobicContact CB-CG 4.23Å; F18-M200 HydrophobicContact CD1-CB 4.29Å; F18-M200 HydrophobicContact CD1-CG 3.84Å; F18-M200 HydrophobicContact CD2-CG 3.66Å; F18-M200 HydrophobicContact CD2-SD 4.41Å; F18-M200 HydrophobicContact CE1-CB 4.48Å; F18-M200 HydrophobicContact CE1-CG 4.08Å; F18-M200 HydrophobicContact CE2-CE 4.04Å; F18-M200 HydrophobicContact CE2-CG 3.93Å; F18-M200 HydrophobicContact CE2-SD 4.32Å; F18-M200 HydrophobicContact CG-CB 4.49Å; F18-M200 HydrophobicContact CG-CG 3.62Å; F18-M200 HydrophobicContact CZ-CE 4Å; F18-M200 HydrophobicContact CZ-CG 4.13Å; F18-V203 HydrophobicContact CD1-CB 4.17Å; F18-V203 HydrophobicContact CD1-CG1 4.27Å; F18-V203 HydrophobicContact CD1-CG2 4.09Å; F18-V203 HydrophobicContact CE1-CG1 4.46Å; F18-V203 WeakPolarHBondContact O-CG2 3.42Å
19K98.3Very high96.9Very high113 Ų11342.8 Ų42.849%0.49123%0.232SC..Hα-helixtrans-64.3-40.3172.8-173.4179.5-177.3174.50112.1Y15 N16 K17 C21 V22 V199Y15-K19 HydrophobicContact CE1-CD 4.1Å; Y15-K19 VanDerWaalsContact O-CB 3.27Å; Y15-K19 WeakPolarHBondContact O-CB 3.25Å; Y15-K19 PolarHBondContact O-N 3.13Å; Y15-K19 PolarHBondContact OH-NZ 3.32Å; N16-K19 PolarHBondContact O-N 2.9Å; K17-K19 VanDerWaalsContact C-N 3.29Å; K17-K19 PolarHBondContact O-N 3.23Å; K19-C21 PolarHBondContact O-N 3.45Å; K19-V22 PolarHBondContact O-N 2.84Å; K19-V199 HydrophobicContact CB-CG2 4.05Å
20A98.5Very high97.3Very high53 Ų5343.9 Ų43.944%0.43824%0.24SC..Hα-helixtrans-66.4-24.1177.800000113.3N16 K17 V22 E31N16-A20 PolarHBondContact O-N 2.94Å; K17-A20 WeakPolarHBondContact O-CB 3.49Å; K17-A20 PolarHBondContact O-N 3.42Å; A20-V22 VanDerWaalsContact C-N 3.27Å; A20-V22 PolarHBondContact O-N 2.97Å; A20-E31 HydrophobicContact CB-CG 4.21Å
21C98.7Very high97.5Very high0 Ų045.3 Ų45.30%025%0.246CC..Hα-helixtrans-62.4-31.9175.5-590000113.5K17 F18 K19 N23 V27 L28 E31 Y32 A35 V203K17-C21 PolarHBondContact O-N 3.43Å; K17-C21 PolarHBondContact O-SG 3.25Å; F18-C21 VanDerWaalsContact O-CB 3.32Å; F18-C21 WeakPolarHBondContact O-CB 3.44Å; F18-C21 PolarHBondContact O-N 2.9Å; K19-C21 PolarHBondContact O-N 3.45Å; C21-N23 PolarHBondContact O-N 2.79Å; C21-V27 HydrophobicContact CB-CG1 4.1Å; C21-V27 CarbonylContact O-C 3.58Å; C21-V27 VanDerWaalsContact O-CA 3.31Å; C21-V27 WeakPolarHBondContact O-CA 3.34Å; C21-L28 PolarHBondContact O-N 3.32Å; C21-E31 VanDerWaalsContact SG-C 3.5Å; C21-E31 PolarHBondContact SG-O 2.91Å; C21-Y32 VanDerWaalsContact SG-CA 3.55Å; C21-A35 VanDerWaalsContact SG-CB 3.57Å; C21-V203 HydrophobicContact CB-CG1 4.35Å; C21-V203 HydrophobicContact CB-CG2 3.76Å
22V98Very high97.7Very high37 Ų3745.3 Ų45.322%0.22425%0.245CC..EExtended strand (participates in β ladder)trans-77.2120-168.5178.40000110.7K19 A20 K202 V203K19-V22 PolarHBondContact O-N 2.84Å; A20-V22 VanDerWaalsContact C-N 3.27Å; A20-V22 PolarHBondContact O-N 2.97Å; V22-K202 HydrophobicContact CG1-CD 4.13Å; V22-K202 HydrophobicContact CG2-CD 4.17Å; V22-K202 HydrophobicContact CG2-CG 4.39Å; V22-V203 HydrophobicContact CG2-CG2 3.69Å
23N96.4Very high97.8Very high89 Ų8941.4 Ų41.448%0.47623%0.23SC..EExtended strand (participates in β ladder)trans-128.783.6175.7179.147.6000110.2C21 D25 D26 L28C21-N23 PolarHBondContact O-N 2.79Å; N23-D25 PolarHBondContact O-N 2.91Å; N23-D26 CarbonylContact C-O 3.52Å; N23-D26 PolarHBondContact N-O 3.21Å; N23-D26 PolarHBondContact O-N 2.96Å; N23-D26 VanDerWaalsContact O-N 3.13Å; N23-L28 HydrophobicContact CB-CD1 4.34Å; N23-L28 HydrophobicContact CB-CD2 4.06Å; N23-L28 HydrophobicContact CB-CG 3.83Å
24G95.6Very high97.9Very high51 Ų5142.7 Ų42.753%0.52624%0.235SC..THydrogen-bonded Turntrans67-121-171.300000111.2
25D95.4Very high98Very high148 Ų14842.6 Ų42.679%0.79123%0.234SC*.THydrogen-bonded Turntrans-95.84.8175.6-62.6-38.2000113N23N23-D25 PolarHBondContact O-N 2.91Å
26D97.5Very high98Very high15 Ų1540.4 Ų40.48%0.0823%0.226CC..EExtended strand (participates in β ladder)trans-115.4171.8178.7-167.313.8000111.2N23 S77 V78 E79N23-D26 CarbonylContact C-O 3.52Å; N23-D26 PolarHBondContact N-O 3.21Å; N23-D26 PolarHBondContact O-N 2.96Å; N23-D26 VanDerWaalsContact O-N 3.13Å; D26-S77 WeakPolarHBondContact OD2-CB 3.49Å; D26-S77 PolarHBondContact OD2-OG 3.31Å; D26-V78 PolarHBondContact OD1-N 2.86Å; D26-E79 PolarHBondContact OD1-N 3.48Å; D26-E79 WeakPolarHBondContact OD2-CB 3.31Å
27V98.7Very high97.9Very high0 Ų038.8 Ų38.80%022%0.219CC..EExtended strand (participates in β ladder)trans-124.4128.2-179.21700000110.1C21 L29 Y32 S77 V78 V203 C206 I207C21-V27 HydrophobicContact CB-CG1 4.1Å; C21-V27 CarbonylContact O-C 3.58Å; C21-V27 VanDerWaalsContact O-CA 3.31Å; C21-V27 WeakPolarHBondContact O-CA 3.34Å; V27-L29 PolarHBondContact O-N 2.83Å; V27-Y32 HydrophobicContact CG1-CD2 4.1Å; V27-Y32 HydrophobicContact CG1-CG 4.36Å; V27-S77 CarbonylContact O-C 3.08Å; V27-S77 VanDerWaalsContact O-CA 3.25Å; V27-S77 WeakPolarHBondContact O-CA 2.93Å; V27-S77 WeakPolarHBondContact O-CB 3.47Å; V27-V78 HydrophobicContact CB-CB 4.44Å; V27-V78 HydrophobicContact CB-CG2 3.84Å; V27-V78 HydrophobicContact CG1-CG2 4.02Å; V27-V78 WeakPolarHBondContact O-CG2 3.46Å; V27-V78 PolarHBondContact O-N 3.18Å; V27-V203 HydrophobicContact CG1-CG1 4.23Å; V27-V203 HydrophobicContact CG2-CG1 4.02Å; V27-C206 HydrophobicContact CG2-CB 3.68Å; V27-I207 HydrophobicContact CB-CG1 4.16Å; V27-I207 HydrophobicContact CG1-CD1 4.35Å; V27-I207 HydrophobicContact CG1-CG1 4.43Å; V27-I207 HydrophobicContact CG2-CG1 3.94Å
28L98.8Very high97.7Very high31 Ų3137 Ų3716%0.16221%0.211CC..BIsolated β-bridgetrans-72.7124.4172.2-58.2172.1000109.8C21 N23 E31 Y32C21-L28 PolarHBondContact O-N 3.32Å; N23-L28 HydrophobicContact CB-CD1 4.34Å; N23-L28 HydrophobicContact CB-CD2 4.06Å; N23-L28 HydrophobicContact CB-CG 3.83Å; L28-E31 HydrophobicContact CB-CB 4.29Å; L28-E31 HydrophobicContact CB-CG 4.41Å; L28-E31 WeakPolarHBondContact CB-OE2 3.32Å; L28-E31 HydrophobicContact CD1-CG 4.42Å; L28-Y32 WeakPolarHBondContact O-CB 3.42Å; L28-Y32 PolarHBondContact O-N 2.88Å
29L98.6Very high97.5Very high0 Ų037.3 Ų37.30%021%0.213CC..Hα-helixtrans-67-41.9-174.4-167.968.1000113.7V27 Y32 C33 L64 Y75 K76 V78 M81 L105V27-L29 PolarHBondContact O-N 2.83Å; L29-Y32 WeakPolarHBondContact O-CB 3.21Å; L29-Y32 PolarHBondContact O-N 2.97Å; L29-C33 PolarHBondContact O-N 3.2Å; L29-C33 PolarHBondContact O-SG 3.5Å; L29-L64 HydrophobicContact CD1-CD1 4.28Å; L29-L64 HydrophobicContact CD1-CD2 4.5Å; L29-Y75 WeakPolarHBondContact CB-O 3.38Å; L29-Y75 HydrophobicContact CD2-CD1 4.11Å; L29-Y75 WeakPolarHBondContact CD2-O 3.3Å; L29-K76 PolarHBondContact N-O 3.03Å; L29-V78 HydrophobicContact CD1-CG2 4.33Å; L29-M81 HydrophobicContact CD2-SD 4Å; L29-L105 HydrophobicContact CD1-CD2 4.24Å
30P98.4Very high97.3Very high26 Ų2632.7 Ų32.717%0.16920%0.195CC..Hα-helixtrans-66.6-42.517917.9-21.1000112Y32 C33 E34 Y68 K76P30-Y32 VanDerWaalsContact C-N 3.3Å; P30-Y32 PolarHBondContact O-N 3.37Å; P30-C33 WeakPolarHBondContact O-CB 3.48Å; P30-C33 PolarHBondContact O-N 3.07Å; P30-C33 VanDerWaalsContact O-N 3.16Å; P30-E34 PolarHBondContact O-N 3.47Å; P30-E34 VanDerWaalsContact O-N 3.12Å; P30-Y68 HydrophobicContact CB-CD1 4.05Å; P30-Y68 HydrophobicContact CB-CE1 3.86Å; P30-Y68 HydrophobicContact CG-CD1 4.36Å; P30-Y68 HydrophobicContact CG-CD2 4.49Å; P30-Y68 HydrophobicContact CG-CE1 3.96Å; P30-Y68 HydrophobicContact CG-CE2 4.12Å; P30-K76 VanDerWaalsContact CD-O 3.23Å; P30-K76 WeakPolarHBondContact CD-O 3.38Å
31E98.6Very high97Very high67 Ų6732.6 Ų32.631%0.31319%0.185SC..Hα-helixtrans-62.4-38.8174.9-71.172.9-166.500111.2A20 C21 L28 C33 E34 A35A20-E31 HydrophobicContact CB-CG 4.21Å; C21-E31 VanDerWaalsContact SG-C 3.5Å; C21-E31 PolarHBondContact SG-O 2.91Å; L28-E31 HydrophobicContact CB-CB 4.29Å; L28-E31 HydrophobicContact CB-CG 4.41Å; L28-E31 WeakPolarHBondContact CB-OE2 3.32Å; L28-E31 HydrophobicContact CD1-CG 4.42Å; E31-C33 PolarHBondContact O-N 2.99Å; E31-E34 PolarHBondContact O-N 3.48Å; E31-A35 WeakPolarHBondContact O-CB 3.24Å; E31-A35 PolarHBondContact O-N 3.16Å
32Y98.7Very high96.4Very high0 Ų033.5 Ų33.50%019%0.189CC..Hα-helixtrans-59.3-44.4172.9-179-91.2000112.1C21 V27 L28 L29 P30 E34 A35 Y36 L105 L108 L112 V203 I207C21-Y32 VanDerWaalsContact SG-CA 3.55Å; V27-Y32 HydrophobicContact CG1-CD2 4.1Å; V27-Y32 HydrophobicContact CG1-CG 4.36Å; L28-Y32 WeakPolarHBondContact O-CB 3.42Å; L28-Y32 PolarHBondContact O-N 2.88Å; L29-Y32 WeakPolarHBondContact O-CB 3.21Å; L29-Y32 PolarHBondContact O-N 2.97Å; P30-Y32 VanDerWaalsContact C-N 3.3Å; P30-Y32 PolarHBondContact O-N 3.37Å; Y32-E34 VanDerWaalsContact C-N 3.29Å; Y32-E34 PolarHBondContact O-N 3.08Å; Y32-A35 PolarHBondContact O-N 2.98Å; Y32-Y36 AromaticContact CE1-CD2 3.71Å; Y32-Y36 HydrophobicContact CE1-CD2 3.71Å; Y32-Y36 HydrophobicContact CE1-CE2 4.46Å; Y32-Y36 HydrophobicContact CE1-CG 4.39Å; Y32-Y36 HydrophobicContact CE2-CD2 4.27Å; Y32-Y36 AromaticContact CZ-CD2 3.5Å; Y32-Y36 VanDerWaalsContact O-CB 3.31Å; Y32-Y36 WeakPolarHBondContact O-CB 3.3Å; Y32-Y36 PolarHBondContact O-N 2.8Å; Y32-Y36 VanDerWaalsContact OH-CD2 3.27Å; Y32-Y36 WeakPolarHBondContact OH-CD2 3.46Å; Y32-Y36 VanDerWaalsContact OH-CE2 3.3Å; Y32-Y36 WeakPolarHBondContact OH-CE2 3.34Å; Y32-L105 HydrophobicContact CD1-CD1 3.78Å; Y32-L105 HydrophobicContact CE1-CD1 3.24Å; Y32-L105 HydrophobicContact CE2-CD1 4.5Å; Y32-L108 HydrophobicContact CE1-CB 4.4Å; Y32-L108 HydrophobicContact CE1-CD1 4.38Å; Y32-L112 HydrophobicContact CE2-CD2 4.13Å; Y32-V203 HydrophobicContact CD2-CG1 3.81Å; Y32-V203 HydrophobicContact CE2-CG1 4.01Å; Y32-I207 HydrophobicContact CD2-CD1 3.75Å; Y32-I207 HydrophobicContact CE2-CD1 3.37Å
33C98.5Very high95.9Very high2 Ų233 Ų331%0.01419%0.185CC..Hα-helixtrans-60.8-39.9177.1-66.20000112L29 P30 E31 T37 V61 R65L29-C33 PolarHBondContact O-N 3.2Å; L29-C33 PolarHBondContact O-SG 3.5Å; P30-C33 WeakPolarHBondContact O-CB 3.48Å; P30-C33 PolarHBondContact O-N 3.07Å; P30-C33 VanDerWaalsContact O-N 3.16Å; E31-C33 PolarHBondContact O-N 2.99Å; C33-T37 WeakPolarHBondContact O-CB 3.33Å; C33-T37 PolarHBondContact O-N 2.75Å; C33-T37 PolarHBondContact O-OG1 2.91Å; C33-V61 HydrophobicContact CB-CG1 3.75Å; C33-R65 HydrophobicContact CB-CG 4.01Å; C33-R65 PolarHBondContact O-NH2 3.17Å
34E98Very high95.4Very high80 Ų8031.6 Ų31.637%0.37418%0.18SC..Hα-helixtrans-66.8-45.4176.1-67.2-51.6115.200112.3K17 P30 E31 Y32 T37 E38 R65K17-E34 IonicContact NZ-OE2 3.55Å; P30-E34 PolarHBondContact O-N 3.47Å; P30-E34 VanDerWaalsContact O-N 3.12Å; E31-E34 PolarHBondContact O-N 3.48Å; Y32-E34 VanDerWaalsContact C-N 3.29Å; Y32-E34 PolarHBondContact O-N 3.08Å; E34-T37 PolarHBondContact O-N 2.87Å; E34-E38 PolarHBondContact O-N 2.75Å; E34-E38 VanDerWaalsContact O-N 3.09Å; E34-R65 IonicContact OE1-CZ 3.4Å; E34-R65 IonicContact OE1-NE 2.75Å; E34-R65 PolarHBondContact OE1-NE 3.17Å; E34-R65 IonicContact OE1-NH2 2.86Å; E34-R65 PolarHBondContact OE1-NH2 2.93Å
35A98Very high95Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-62.3-43.6176.200000112K17 F18 C21 E31 Y32 T37 E38 V39K17-A35 HydrophobicContact CB-CB 3.82Å; F18-A35 HydrophobicContact CD1-CB 4.13Å; F18-A35 HydrophobicContact CD2-CB 3.82Å; F18-A35 HydrophobicContact CE1-CB 4.19Å; F18-A35 HydrophobicContact CE2-CB 3.88Å; F18-A35 HydrophobicContact CG-CB 3.94Å; F18-A35 HydrophobicContact CZ-CB 4.07Å; C21-A35 VanDerWaalsContact SG-CB 3.57Å; E31-A35 WeakPolarHBondContact O-CB 3.24Å; E31-A35 PolarHBondContact O-N 3.16Å; Y32-A35 PolarHBondContact O-N 2.98Å; A35-T37 VanDerWaalsContact C-N 3.35Å; A35-T37 PolarHBondContact O-N 2.92Å; A35-E38 PolarHBondContact O-N 2.88Å; A35-V39 PolarHBondContact O-N 3.4Å; A35-V39 VanDerWaalsContact O-N 3.09Å
36Y97.6Very high94.5Very high5 Ų525.2 Ų25.22%0.0213%0.13CC..Hα-helixtrans-65.9-39.6179.4-148.6-73.6000111.6Y32 E38 V39 S40 V57 V61 L108 A111 L112Y32-Y36 AromaticContact CE1-CD2 3.71Å; Y32-Y36 HydrophobicContact CE1-CD2 3.71Å; Y32-Y36 HydrophobicContact CE1-CE2 4.46Å; Y32-Y36 HydrophobicContact CE1-CG 4.39Å; Y32-Y36 HydrophobicContact CE2-CD2 4.27Å; Y32-Y36 AromaticContact CZ-CD2 3.5Å; Y32-Y36 VanDerWaalsContact O-CB 3.31Å; Y32-Y36 WeakPolarHBondContact O-CB 3.3Å; Y32-Y36 PolarHBondContact O-N 2.8Å; Y32-Y36 VanDerWaalsContact OH-CD2 3.27Å; Y32-Y36 WeakPolarHBondContact OH-CD2 3.46Å; Y32-Y36 VanDerWaalsContact OH-CE2 3.3Å; Y32-Y36 WeakPolarHBondContact OH-CE2 3.34Å; Y36-E38 VanDerWaalsContact C-N 3.32Å; Y36-E38 PolarHBondContact O-N 3.1Å; Y36-V39 WeakPolarHBondContact O-CG1 3.27Å; Y36-V39 PolarHBondContact O-N 3.07Å; Y36-S40 VanDerWaalsContact CD1-OG 3.31Å; Y36-S40 WeakPolarHBondContact CD1-OG 3.37Å; Y36-S40 WeakPolarHBondContact CE1-OG 3.49Å; Y36-S40 VanDerWaalsContact O-CB 3.24Å; Y36-S40 WeakPolarHBondContact O-CB 3.39Å; Y36-S40 PolarHBondContact O-N 3.31Å; Y36-S40 PolarHBondContact O-OG 3.35Å; Y36-V57 HydrophobicContact CD1-CG1 3.86Å; Y36-V57 HydrophobicContact CE1-CG1 3.62Å; Y36-V61 HydrophobicContact CD1-CG2 4.08Å; Y36-V61 HydrophobicContact CG-CG2 4.41Å; Y36-L108 HydrophobicContact CD1-CD2 4.12Å; Y36-L108 HydrophobicContact CD2-CB 4.27Å; Y36-L108 HydrophobicContact CE1-CD2 3.69Å; Y36-L108 HydrophobicContact CE2-CB 3.74Å; Y36-L108 HydrophobicContact CE2-CD2 4.31Å; Y36-L108 WeakPolarHBondContact CE2-O 3.3Å; Y36-L108 PolarHBondContact OH-O 3.42Å; Y36-A111 WeakPolarHBondContact OH-CB 3.21Å; Y36-L112 HydrophobicContact CE2-CB 4.02Å; Y36-L112 HydrophobicContact CE2-CD1 4.35Å; Y36-L112 PolarHBondContact OH-N 2.74Å
37T95.8Very high93.7Very high50 Ų5026 Ų2631%0.30714%0.142SC..Hα-helixtrans-60.4-44175-61.80000111.1C33 E34 A35 S40 K41 R65C33-T37 WeakPolarHBondContact O-CB 3.33Å; C33-T37 PolarHBondContact O-N 2.75Å; C33-T37 PolarHBondContact O-OG1 2.91Å; E34-T37 PolarHBondContact O-N 2.87Å; A35-T37 VanDerWaalsContact C-N 3.35Å; A35-T37 PolarHBondContact O-N 2.92Å; T37-S40 PolarHBondContact O-N 3.34Å; T37-K41 PolarHBondContact O-N 3.28Å; T37-R65 PolarHBondContact OG1-NH1 3.39Å; T37-R65 PolarHBondContact OG1-NH2 3.5Å
38E95.5Very high93Very high10 Ų1033.5 Ų33.55%0.04718%0.182CC..Hα-helixtrans-63-48.3179.9-168.564.4-160.900112.1L9 N13 V14 K17 E34 A35 Y36 S40 K41L9-E38 WeakPolarHBondContact CD1-O 3.18Å; N13-E38 HydrophobicContact CB-CG 4.36Å; N13-E38 PolarHBondContact ND2-OE1 2.81Å; N13-E38 PolarHBondContact ND2-OE2 3.35Å; N13-E38 VanDerWaalsContact ND2-OE2 3.08Å; V14-E38 HydrophobicContact CG2-CB 4.5Å; V14-E38 HydrophobicContact CG2-CG 3.74Å; K17-E38 HydrophobicContact CD-CB 3.61Å; K17-E38 HydrophobicContact CD-CG 3.96Å; E34-E38 PolarHBondContact O-N 2.75Å; E34-E38 VanDerWaalsContact O-N 3.09Å; A35-E38 PolarHBondContact O-N 2.88Å; Y36-E38 VanDerWaalsContact C-N 3.32Å; Y36-E38 PolarHBondContact O-N 3.1Å; E38-S40 PolarHBondContact O-N 3.29Å; E38-K41 WeakPolarHBondContact O-CB 3.2Å; E38-K41 WeakPolarHBondContact O-CG 3.5Å; E38-K41 PolarHBondContact O-N 3.2Å; E38-K41 IonicContact OE1-NZ 2.72Å; E38-K41 PolarHBondContact OE1-NZ 3.28Å; E38-K41 VanDerWaalsContact OE2-CE 3.27Å; E38-K41 WeakPolarHBondContact OE2-CE 3.37Å; E38-K41 IonicContact OE2-NZ 2.88Å; E38-K41 PolarHBondContact OE2-NZ 3.26Å
39V94.7Very high92.2Very high6 Ų637.1 Ų37.14%0.03620%0.2CC..Hα-helixtrans-68.2-27.5179.872.80000112.3F18 A35 Y36 K41 L42 V115 M119 M200F18-V39 HydrophobicContact CE2-CB 4.09Å; F18-V39 HydrophobicContact CE2-CG1 4.1Å; F18-V39 HydrophobicContact CZ-CG1 4.1Å; A35-V39 PolarHBondContact O-N 3.4Å; A35-V39 VanDerWaalsContact O-N 3.09Å; Y36-V39 WeakPolarHBondContact O-CG1 3.27Å; Y36-V39 PolarHBondContact O-N 3.07Å; V39-K41 PolarHBondContact O-N 2.98Å; V39-L42 PolarHBondContact O-N 3.48Å; V39-V115 HydrophobicContact CG2-CG1 3.8Å; V39-M119 HydrophobicContact CG2-CE 3.94Å; V39-M200 HydrophobicContact CG2-CE 4Å
40S93.5Very high91.6Very high17 Ų1738.1 Ų38.112%0.11921%0.205CC..Hα-helixtrans-72.9-13.2178.7-60.30000113.9Y36 T37 E38 L42 L43 V57Y36-S40 VanDerWaalsContact CD1-OG 3.31Å; Y36-S40 WeakPolarHBondContact CD1-OG 3.37Å; Y36-S40 WeakPolarHBondContact CE1-OG 3.49Å; Y36-S40 VanDerWaalsContact O-CB 3.24Å; Y36-S40 WeakPolarHBondContact O-CB 3.39Å; Y36-S40 PolarHBondContact O-N 3.31Å; Y36-S40 PolarHBondContact O-OG 3.35Å; T37-S40 PolarHBondContact O-N 3.34Å; E38-S40 PolarHBondContact O-N 3.29Å; S40-L42 PolarHBondContact O-N 3.25Å; S40-L43 VanDerWaalsContact O-CB 3.31Å; S40-L43 WeakPolarHBondContact O-CB 3.31Å; S40-L43 PolarHBondContact O-N 3.37Å; S40-V57 WeakPolarHBondContact OG-CG1 3.29Å
41K91.4Very high91Very high51 Ų5144.3 Ų44.322%0.22223%0.226CC..Hα-helixtrans-56.5-29.5171.5-68.3178.8177.4171.50112.3N6 S8 T37 E38 V39 L43 V44 Y45N6-K41 WeakPolarHBondContact O-CB 3.35Å; S8-K41 WeakPolarHBondContact O-CD 3.4Å; T37-K41 PolarHBondContact O-N 3.28Å; E38-K41 WeakPolarHBondContact O-CB 3.2Å; E38-K41 WeakPolarHBondContact O-CG 3.5Å; E38-K41 PolarHBondContact O-N 3.2Å; E38-K41 IonicContact OE1-NZ 2.72Å; E38-K41 PolarHBondContact OE1-NZ 3.28Å; E38-K41 VanDerWaalsContact OE2-CE 3.27Å; E38-K41 WeakPolarHBondContact OE2-CE 3.37Å; E38-K41 IonicContact OE2-NZ 2.88Å; E38-K41 PolarHBondContact OE2-NZ 3.26Å; V39-K41 PolarHBondContact O-N 2.98Å; K41-L43 PolarHBondContact O-N 3.42Å; K41-V44 WeakPolarHBondContact O-CB 3.37Å; K41-V44 PolarHBondContact O-N 2.93Å; K41-Y45 PolarHBondContact O-N 2.86Å
42L87.6Confident90.5Very high18 Ų1845.3 Ų45.39%0.09423%0.229CC..Hα-helixtrans-64.2-28.8175.2-166.763.2000112.9L9 V39 S40 V44 Y45 F46 M119 L168L9-L42 HydrophobicContact CD2-CB 4.45Å; L9-L42 HydrophobicContact CD2-CD1 4.41Å; L9-L42 HydrophobicContact CD2-CD2 4.32Å; V39-L42 PolarHBondContact O-N 3.48Å; S40-L42 PolarHBondContact O-N 3.25Å; L42-V44 VanDerWaalsContact C-N 3.3Å; L42-V44 PolarHBondContact O-N 2.75Å; L42-Y45 HydrophobicContact CD1-CD1 4.38Å; L42-Y45 WeakPolarHBondContact O-CB 3.1Å; L42-Y45 PolarHBondContact O-N 2.98Å; L42-F46 HydrophobicContact CD2-CZ 4.46Å; L42-F46 HydrophobicContact CG-CZ 4.19Å; L42-M119 HydrophobicContact CD2-CE 3.87Å; L42-L168 HydrophobicContact CD1-CD1 3.72Å; L42-L168 HydrophobicContact CD2-CD1 4.46Å; L42-L168 HydrophobicContact CG-CD1 4.42Å
43L86.5Confident90Very high27 Ų2747.1 Ų47.114%0.14124%0.241CC..Hα-helixtrans-67.9-34.3176.5-60.8174.6000111.6S40 K41 Y45 F46 V53 V57S40-L43 VanDerWaalsContact O-CB 3.31Å; S40-L43 WeakPolarHBondContact O-CB 3.31Å; S40-L43 PolarHBondContact O-N 3.37Å; K41-L43 PolarHBondContact O-N 3.42Å; L43-Y45 VanDerWaalsContact C-N 3.25Å; L43-Y45 PolarHBondContact O-N 3.44Å; L43-F46 HydrophobicContact CD2-CD2 4.35Å; L43-F46 HydrophobicContact CD2-CE2 4.37Å; L43-F46 PolarHBondContact O-N 3.49Å; L43-V53 HydrophobicContact CD1-CG1 4.02Å; L43-V53 HydrophobicContact CD2-CG1 4.32Å; L43-V57 HydrophobicContact CD1-CG2 4.07Å
44V86Confident89.6Confident60 Ų6048.2 Ų48.236%0.36425%0.247SC..Hα-helixtrans-62.6-36.6176.5-175.90000110.6A7 K41 L42 F46 G47 T54A7-V44 HydrophobicContact CB-CB 4.42Å; A7-V44 HydrophobicContact CB-CG1 4.24Å; K41-V44 WeakPolarHBondContact O-CB 3.37Å; K41-V44 PolarHBondContact O-N 2.93Å; L42-V44 VanDerWaalsContact C-N 3.3Å; L42-V44 PolarHBondContact O-N 2.75Å; V44-F46 VanDerWaalsContact C-N 3.26Å; V44-F46 PolarHBondContact O-N 3.46Å; V44-G47 PolarHBondContact O-N 2.85Å; V44-G47 VanDerWaalsContact O-N 3.07Å; V44-T54 HydrophobicContact CG2-CG2 3.98Å
45Y86.8Confident89.4Confident39 Ų3947 Ų4715%0.15325%0.247CC..Hα-helixtrans-60.5-31.8176.9172.3-112.4000113.3H3 K41 L42 L43 G47 P163 H167 L168 H171H3-Y45 AromaticContact CD2-CD2 3.63Å; H3-Y45 AromaticContact CD2-CE2 3.77Å; H3-Y45 AromaticContact NE2-CD2 3.72Å; H3-Y45 AromaticContact NE2-CE2 3.57Å; K41-Y45 PolarHBondContact O-N 2.86Å; L42-Y45 HydrophobicContact CD1-CD1 4.38Å; L42-Y45 WeakPolarHBondContact O-CB 3.1Å; L42-Y45 PolarHBondContact O-N 2.98Å; L43-Y45 VanDerWaalsContact C-N 3.25Å; L43-Y45 PolarHBondContact O-N 3.44Å; Y45-G47 PolarHBondContact O-N 2.88Å; Y45-P163 HydrophobicContact CE1-CG 3.76Å; Y45-H167 PolarHBondContact OH-O 3.14Å; Y45-L168 HydrophobicContact CD1-CD1 3.98Å; Y45-L168 HydrophobicContact CE1-CD1 3.83Å; Y45-H171 AromaticContact CD1-CD2 3.92Å; Y45-H171 AromaticContact CD2-CD2 3.61Å; Y45-H171 AromaticContact CD2-CE1 3.58Å; Y45-H171 AromaticContact CD2-CG 3.67Å; Y45-H171 AromaticContact CD2-ND1 3.66Å; Y45-H171 AromaticContact CD2-NE2 3.53Å; Y45-H171 HydrophobicContact CE1-CB 4.13Å; Y45-H171 HydrophobicContact CE2-CB 3.84Å; Y45-H171 AromaticContact CE2-CD2 3.8Å; Y45-H171 AromaticContact CE2-CE1 3.9Å; Y45-H171 AromaticContact CE2-CG 3.4Å; Y45-H171 VanDerWaalsContact CE2-CG 3.4Å; Y45-H171 AromaticContact CE2-ND1 3.48Å; Y45-H171 WeakPolarHBondContact CE2-ND1 3.27Å; Y45-H171 AromaticContact CG-CD2 3.66Å; Y45-H171 AromaticContact CG-NE2 3.73Å; Y45-H171 AromaticContact CZ-CG 3.65Å
46F85.5Confident89.2Confident26 Ų2650.9 Ų50.911%0.11427%0.268CS..THydrogen-bonded Turntrans-74.5-6.4177.5-55.1-41.6000114L42 L43 V44 F50 L162 P163 L168L42-F46 HydrophobicContact CD2-CZ 4.46Å; L42-F46 HydrophobicContact CG-CZ 4.19Å; L43-F46 HydrophobicContact CD2-CD2 4.35Å; L43-F46 HydrophobicContact CD2-CE2 4.37Å; L43-F46 PolarHBondContact O-N 3.49Å; V44-F46 VanDerWaalsContact C-N 3.26Å; V44-F46 PolarHBondContact O-N 3.46Å; F46-F50 HydrophobicContact CB-CB 3.96Å; F46-F50 HydrophobicContact CB-CD1 4.19Å; F46-F50 HydrophobicContact CB-CD2 3.29Å; F46-F50 HydrophobicContact CB-CE2 3.77Å; F46-F50 HydrophobicContact CB-CG 3.53Å; F46-F50 HydrophobicContact CB-CZ 4.4Å; F46-F50 AromaticContact CD2-CD1 3.97Å; F46-F50 HydrophobicContact CD2-CD1 3.97Å; F46-F50 HydrophobicContact CD2-CD2 4.49Å; F46-F50 HydrophobicContact CD2-CE1 4.11Å; F46-F50 HydrophobicContact CD2-CG 4.18Å; F46-F50 HydrophobicContact CD2-CZ 4.45Å; F46-F50 HydrophobicContact CG-CD2 4.23Å; F46-F50 HydrophobicContact CG-CE2 4.36Å; F46-F50 HydrophobicContact CG-CG 4.31Å; F46-L162 HydrophobicContact CD1-CD2 3.74Å; F46-L162 HydrophobicContact CD2-CD2 3.96Å; F46-L162 HydrophobicContact CE1-CD2 3.78Å; F46-L162 HydrophobicContact CE2-CD2 4.01Å; F46-L162 HydrophobicContact CG-CD2 3.84Å; F46-L162 HydrophobicContact CZ-CD2 3.92Å; F46-P163 HydrophobicContact CD1-CG 4.13Å; F46-P163 HydrophobicContact CE1-CG 4.13Å; F46-L168 HydrophobicContact CE1-CD1 4.02Å; F46-L168 HydrophobicContact CZ-CD1 4.4Å
47G81.2Confident89.1Confident32 Ų3251.1 Ų51.133%0.3327%0.27SS..  trans73.9-161.2169.700000115.2V44 Y45 L49 F50V44-G47 PolarHBondContact O-N 2.85Å; V44-G47 VanDerWaalsContact O-N 3.07Å; Y45-G47 PolarHBondContact O-N 2.88Å; G47-L49 VanDerWaalsContact C-N 3.28Å; G47-L49 PolarHBondContact O-N 2.81Å; G47-L49 VanDerWaalsContact O-N 3.11Å; G47-F50 PolarHBondContact O-N 3.2Å
48N82.9Confident89.1Confident156 Ų15652 Ų5283%0.83428%0.278SS*.G310 helixtrans-59-31.1-164.4-68.8-13.3000114.9F50 Y51N48-F50 PolarHBondContact O-N 3.29Å; N48-Y51 WeakPolarHBondContact O-CB 3.31Å; N48-Y51 PolarHBondContact O-N 2.91Å; N48-Y51 VanDerWaalsContact O-N 3.08Å
49L82.7Confident89.2Confident107 Ų10757.3 Ų57.356%0.5630%0.303SS*.G310 helixtrans-69.4-16.7178.6-75.9170.1000112.9G47 F52 A161G47-L49 VanDerWaalsContact C-N 3.28Å; G47-L49 PolarHBondContact O-N 2.81Å; G47-L49 VanDerWaalsContact O-N 3.11Å; L49-F52 WeakPolarHBondContact O-CD1 3.45Å; L49-F52 WeakPolarHBondContact O-CE1 3.27Å; L49-A161 HydrophobicContact CB-CB 3.99Å; L49-A161 HydrophobicContact CD1-CB 3.25Å; L49-A161 HydrophobicContact CG-CB 4.23Å
50F84.9Confident89.3Confident21 Ų2158.2 Ų58.29%0.09231%0.306CS..G310 helixtrans-102.27173.9-73.6-99.2000112.9F46 G47 N48 F52 V53 T54 A158 A161 L162F46-F50 HydrophobicContact CB-CB 3.96Å; F46-F50 HydrophobicContact CB-CD1 4.19Å; F46-F50 HydrophobicContact CB-CD2 3.29Å; F46-F50 HydrophobicContact CB-CE2 3.77Å; F46-F50 HydrophobicContact CB-CG 3.53Å; F46-F50 HydrophobicContact CB-CZ 4.4Å; F46-F50 AromaticContact CD2-CD1 3.97Å; F46-F50 HydrophobicContact CD2-CD1 3.97Å; F46-F50 HydrophobicContact CD2-CD2 4.49Å; F46-F50 HydrophobicContact CD2-CE1 4.11Å; F46-F50 HydrophobicContact CD2-CG 4.18Å; F46-F50 HydrophobicContact CD2-CZ 4.45Å; F46-F50 HydrophobicContact CG-CD2 4.23Å; F46-F50 HydrophobicContact CG-CE2 4.36Å; F46-F50 HydrophobicContact CG-CG 4.31Å; G47-F50 PolarHBondContact O-N 3.2Å; N48-F50 PolarHBondContact O-N 3.29Å; F50-F52 PolarHBondContact O-N 3.39Å; F50-V53 HydrophobicContact CD1-CG2 4.3Å; F50-V53 PolarHBondContact O-N 3.14Å; F50-T54 PolarHBondContact O-N 2.97Å; F50-T54 PolarHBondContact O-OG1 3.18Å; F50-A158 HydrophobicContact CE1-CB 4.4Å; F50-A158 HydrophobicContact CE2-CB 4.36Å; F50-A158 WeakPolarHBondContact CE2-O 3.27Å; F50-A158 HydrophobicContact CZ-CB 4.07Å; F50-A158 WeakPolarHBondContact CZ-O 3.01Å; F50-A161 HydrophobicContact CE2-CB 4.44Å; F50-L162 HydrophobicContact CE1-CD2 4.04Å; F50-L162 HydrophobicContact CE2-CD2 3.83Å; F50-L162 HydrophobicContact CE2-CG 4.22Å; F50-L162 HydrophobicContact CZ-CD1 4.5Å; F50-L162 HydrophobicContact CZ-CD2 3.34Å; F50-L162 HydrophobicContact CZ-CG 3.72Å
51Y87.4Confident89.6Confident157 Ų15757.5 Ų57.562%0.61630%0.301SS*.Hα-helixtrans-57.7-38.7179.2179.1-102.1000112.1N48 V53 T54 S55N48-Y51 WeakPolarHBondContact O-CB 3.31Å; N48-Y51 PolarHBondContact O-N 2.91Å; N48-Y51 VanDerWaalsContact O-N 3.08Å; Y51-V53 VanDerWaalsContact C-N 3.3Å; Y51-V53 PolarHBondContact O-N 3.1Å; Y51-T54 PolarHBondContact O-N 3.4Å; Y51-S55 WeakPolarHBondContact O-CB 3.34Å; Y51-S55 PolarHBondContact O-N 3.29Å
52F86.6Confident89.9Confident87 Ų8757.6 Ų57.638%0.38231%0.308SS..Hα-helixtrans-61.9-38.3177.978.7-89.6000112.2L49 F50 D56 V155 A158L49-F52 WeakPolarHBondContact O-CD1 3.45Å; L49-F52 WeakPolarHBondContact O-CE1 3.27Å; F50-F52 PolarHBondContact O-N 3.39Å; F52-D56 VanDerWaalsContact O-CB 3.27Å; F52-D56 WeakPolarHBondContact O-CB 3.41Å; F52-D56 PolarHBondContact O-N 3.15Å; F52-D56 VanDerWaalsContact O-N 3.12Å; F52-V155 HydrophobicContact CZ-CG2 4.44Å; F52-A158 HydrophobicContact CE1-CB 4.28Å
53V89.7Confident90.4Very high39 Ų3959.4 Ų59.424%0.23632%0.316CS..Hα-helixtrans-70.9-47.6176.5-172.80000110.1L43 F50 Y51 S55 D56 V57L43-V53 HydrophobicContact CD1-CG1 4.02Å; L43-V53 HydrophobicContact CD2-CG1 4.32Å; F50-V53 HydrophobicContact CD1-CG2 4.3Å; F50-V53 PolarHBondContact O-N 3.14Å; Y51-V53 VanDerWaalsContact C-N 3.3Å; Y51-V53 PolarHBondContact O-N 3.1Å; V53-S55 VanDerWaalsContact C-N 3.32Å; V53-S55 PolarHBondContact O-N 3.37Å; V53-D56 PolarHBondContact O-N 2.94Å; V53-V57 HydrophobicContact CG1-CG2 4.47Å; V53-V57 WeakPolarHBondContact O-CG2 3.4Å; V53-V57 PolarHBondContact O-N 2.91Å
54T89.9Confident90.9Very high24 Ų2458.1 Ų58.115%0.14731%0.31CS..Hα-helixtrans-61.4-42.4-177.8-54.10000111.2V44 F50 Y51 S58V44-T54 HydrophobicContact CG2-CG2 3.98Å; F50-T54 PolarHBondContact O-N 2.97Å; F50-T54 PolarHBondContact O-OG1 3.18Å; Y51-T54 PolarHBondContact O-N 3.4Å; T54-S58 WeakPolarHBondContact O-CB 3.34Å; T54-S58 PolarHBondContact O-N 2.91Å; T54-S58 PolarHBondContact O-OG 3.06Å
55S92.8Very high91.5Very high54 Ų5459.1 Ų59.138%0.37831%0.307SS..Hα-helixtrans-65.3-46.6176-177.80000111.8Y51 V53 V57 S58 H59Y51-S55 WeakPolarHBondContact O-CB 3.34Å; Y51-S55 PolarHBondContact O-N 3.29Å; V53-S55 VanDerWaalsContact C-N 3.32Å; V53-S55 PolarHBondContact O-N 3.37Å; S55-V57 VanDerWaalsContact C-N 3.34Å; S55-V57 PolarHBondContact O-N 2.69Å; S55-S58 PolarHBondContact O-N 2.71Å; S55-H59 WeakPolarHBondContact O-CB 3.36Å; S55-H59 PolarHBondContact O-N 3.01Å
56D94.1Very high92.1Very high83 Ų8362 Ų6244%0.44433%0.325SS..Hα-helixtrans-59-44.3178.5-175.476.1000112.3F52 V53 K60F52-D56 VanDerWaalsContact O-CB 3.27Å; F52-D56 WeakPolarHBondContact O-CB 3.41Å; F52-D56 PolarHBondContact O-N 3.15Å; F52-D56 VanDerWaalsContact O-N 3.12Å; V53-D56 PolarHBondContact O-N 2.94Å; D56-K60 WeakPolarHBondContact O-CG 3.34Å; D56-K60 PolarHBondContact O-N 3.09Å; D56-K60 IonicContact OD1-NZ 3.57Å; D56-K60 PolarHBondContact OD1-NZ 3.48Å; D56-K60 IonicContact OD2-NZ 2.93Å; D56-K60 PolarHBondContact OD2-NZ 3.23Å
57V95.7Very high92.7Very high10 Ų1062.5 Ų62.56%0.06133%0.328CS..Hα-helixtrans-65-49.2176170.20000111Y36 S40 L43 V53 S55 H59 K60 V61 L108Y36-V57 HydrophobicContact CD1-CG1 3.86Å; Y36-V57 HydrophobicContact CE1-CG1 3.62Å; S40-V57 WeakPolarHBondContact OG-CG1 3.29Å; L43-V57 HydrophobicContact CD1-CG2 4.07Å; V53-V57 HydrophobicContact CG1-CG2 4.47Å; V53-V57 WeakPolarHBondContact O-CG2 3.4Å; V53-V57 PolarHBondContact O-N 2.91Å; S55-V57 VanDerWaalsContact C-N 3.34Å; S55-V57 PolarHBondContact O-N 2.69Å; V57-H59 VanDerWaalsContact C-N 3.32Å; V57-H59 PolarHBondContact O-N 3.41Å; V57-K60 PolarHBondContact O-N 3.09Å; V57-V61 HydrophobicContact CG1-CG2 4.33Å; V57-V61 WeakPolarHBondContact O-CG2 3.43Å; V57-V61 PolarHBondContact O-N 3.27Å; V57-L108 HydrophobicContact CG1-CD2 4.21Å
58S95.5Very high93.5Very high68 Ų6864.3 Ų64.348%0.47633%0.326SS..Hα-helixtrans-59.6-42.8-178.2-59.70000111.9T54 S55 V61 S62T54-S58 WeakPolarHBondContact O-CB 3.34Å; T54-S58 PolarHBondContact O-N 2.91Å; T54-S58 PolarHBondContact O-OG 3.06Å; S55-S58 PolarHBondContact O-N 2.71Å; S58-V61 PolarHBondContact O-N 2.93Å; S58-S62 WeakPolarHBondContact O-CB 3.36Å; S58-S62 PolarHBondContact O-N 3.18Å
59H97.4Very high94.2Very high122 Ų12260 Ų6057%0.56531%0.312SS*.Hα-helixtrans-60.2-46.8175.9179.5-81.4000111.9S55 V57 S62 E63S55-H59 WeakPolarHBondContact O-CB 3.36Å; S55-H59 PolarHBondContact O-N 3.01Å; V57-H59 VanDerWaalsContact C-N 3.32Å; V57-H59 PolarHBondContact O-N 3.41Å; H59-S62 WeakPolarHBondContact O-CB 3.37Å; H59-S62 PolarHBondContact O-N 3.27Å; H59-E63 PolarHBondContact O-N 3.47Å
60K97.8Very high94.9Very high24 Ų2459.1 Ų59.110%0.10432%0.32CS..Hα-helixtrans-65.6-40.2-179.7-72.8-174.3178.263.50112.9D56 V57 S62 E63 L64 T104 R107 L108D56-K60 WeakPolarHBondContact O-CG 3.34Å; D56-K60 PolarHBondContact O-N 3.09Å; D56-K60 IonicContact OD1-NZ 3.57Å; D56-K60 PolarHBondContact OD1-NZ 3.48Å; D56-K60 IonicContact OD2-NZ 2.93Å; D56-K60 PolarHBondContact OD2-NZ 3.23Å; V57-K60 PolarHBondContact O-N 3.09Å; K60-S62 VanDerWaalsContact C-N 3.32Å; K60-E63 PolarHBondContact O-N 3.43Å; K60-L64 WeakPolarHBondContact O-CG 3.44Å; K60-L64 PolarHBondContact O-N 3.42Å; K60-L64 VanDerWaalsContact O-N 3.11Å; K60-T104 HydrophobicContact CB-CG2 3.62Å; K60-T104 HydrophobicContact CD-CG2 4.41Å; K60-T104 HydrophobicContact CG-CG2 3.87Å; K60-T104 VanDerWaalsContact O-CG2 3.31Å; K60-T104 WeakPolarHBondContact O-CG2 3.23Å; K60-R107 HydrophobicContact CD-CB 3.77Å; K60-R107 HydrophobicContact CD-CG 4.5Å; K60-R107 VanDerWaalsContact CE-CB 3.5Å; K60-L108 HydrophobicContact CB-CD1 4Å; K60-L108 HydrophobicContact CB-CD2 3.93Å; K60-L108 HydrophobicContact CB-CG 3.96Å; K60-L108 HydrophobicContact CD-CD2 4.27Å; K60-L108 HydrophobicContact CD-CG 4.26Å
61V98.2Very high95.6Very high3 Ų360 Ų602%0.01833%0.326CS..Hα-helixtrans-66-39.5175.2-176.20000110.1C33 Y36 V57 S58 L64 R65 L108C33-V61 HydrophobicContact CB-CG1 3.75Å; Y36-V61 HydrophobicContact CD1-CG2 4.08Å; Y36-V61 HydrophobicContact CG-CG2 4.41Å; V57-V61 HydrophobicContact CG1-CG2 4.33Å; V57-V61 WeakPolarHBondContact O-CG2 3.43Å; V57-V61 PolarHBondContact O-N 3.27Å; S58-V61 PolarHBondContact O-N 2.93Å; V61-L64 PolarHBondContact O-N 3.34Å; V61-R65 WeakPolarHBondContact O-CG 3.37Å; V61-R65 PolarHBondContact O-N 3.33Å; V61-L108 HydrophobicContact CG2-CD1 3.93Å; V61-L108 HydrophobicContact CG2-CD2 4.31Å
62S98.1Very high96Very high52 Ų5259.1 Ų59.136%0.36433%0.325SS..Hα-helixtrans-59.8-46.3173.3-1640000111.9S58 H59 K60 L64 R65 D66S58-S62 WeakPolarHBondContact O-CB 3.36Å; S58-S62 PolarHBondContact O-N 3.18Å; H59-S62 WeakPolarHBondContact O-CB 3.37Å; H59-S62 PolarHBondContact O-N 3.27Å; K60-S62 VanDerWaalsContact C-N 3.32Å; S62-L64 VanDerWaalsContact C-N 3.32Å; S62-L64 PolarHBondContact O-N 3.32Å; S62-R65 WeakPolarHBondContact O-CB 3.24Å; S62-R65 PolarHBondContact O-N 2.94Å; S62-D66 VanDerWaalsContact O-CG 3.23Å; S62-D66 PolarHBondContact O-N 3.34Å
63E98.1Very high96.6Very high57 Ų5760.8 Ų60.827%0.26634%0.337SS..Hα-helixtrans-60-40.6179.6-174.9174.1-133.300112.2H59 K60 D66 L67 V100 T104H59-E63 PolarHBondContact O-N 3.47Å; K60-E63 PolarHBondContact O-N 3.43Å; E63-D66 PolarHBondContact O-N 3Å; E63-L67 VanDerWaalsContact O-CG 3.25Å; E63-L67 WeakPolarHBondContact O-CG 3.31Å; E63-L67 PolarHBondContact O-N 3.31Å; E63-V100 HydrophobicContact CG-CG1 4.27Å; E63-V100 WeakPolarHBondContact OE1-CG1 3.45Å; E63-T104 HydrophobicContact CB-CG2 4.28Å; E63-T104 HydrophobicContact CG-CG2 4.46Å; E63-T104 WeakPolarHBondContact OE2-CB 3.39Å; E63-T104 VanDerWaalsContact OE2-CG2 3.24Å; E63-T104 WeakPolarHBondContact OE2-CG2 3.29Å; E63-T104 PolarHBondContact OE2-OG1 3.41Å
64L98.6Very high97Very high0 Ų061.2 Ų61.20%034%0.338CS..Hα-helixtrans-66.3-38.6173.7-67.2177.9000112.6L29 K60 V61 S62 L67 Y68 M81 T104 L105 L108L29-L64 HydrophobicContact CD1-CD1 4.28Å; L29-L64 HydrophobicContact CD1-CD2 4.5Å; K60-L64 WeakPolarHBondContact O-CG 3.44Å; K60-L64 PolarHBondContact O-N 3.42Å; K60-L64 VanDerWaalsContact O-N 3.11Å; V61-L64 PolarHBondContact O-N 3.34Å; S62-L64 VanDerWaalsContact C-N 3.32Å; S62-L64 PolarHBondContact O-N 3.32Å; L64-L67 HydrophobicContact CD2-CD1 4.49Å; L64-Y68 PolarHBondContact O-N 3.19Å; L64-M81 HydrophobicContact CD2-SD 4.34Å; L64-T104 HydrophobicContact CD1-CG2 4.42Å; L64-T104 HydrophobicContact CD2-CG2 4.05Å; L64-T104 HydrophobicContact CG-CG2 3.85Å; L64-L105 HydrophobicContact CD1-CB 4.23Å; L64-L105 HydrophobicContact CD1-CD1 4.12Å; L64-L105 HydrophobicContact CD2-CB 4.35Å; L64-L108 HydrophobicContact CD1-CD1 3.7Å
65R98.5Very high97.4Very high80 Ų8060.9 Ų60.930%0.30233%0.334SS..Hα-helixtrans-64.6-41.6175-73.6179.5175.1123.2-2.1111.8C33 E34 T37 V61 S62 Y68 A69C33-R65 HydrophobicContact CB-CG 4.01Å; C33-R65 PolarHBondContact O-NH2 3.17Å; E34-R65 IonicContact OE1-CZ 3.4Å; E34-R65 IonicContact OE1-NE 2.75Å; E34-R65 PolarHBondContact OE1-NE 3.17Å; E34-R65 IonicContact OE1-NH2 2.86Å; E34-R65 PolarHBondContact OE1-NH2 2.93Å; T37-R65 PolarHBondContact OG1-NH1 3.39Å; T37-R65 PolarHBondContact OG1-NH2 3.5Å; V61-R65 WeakPolarHBondContact O-CG 3.37Å; V61-R65 PolarHBondContact O-N 3.33Å; S62-R65 WeakPolarHBondContact O-CB 3.24Å; S62-R65 PolarHBondContact O-N 2.94Å; R65-Y68 PolarHBondContact O-N 3.37Å; R65-A69 WeakPolarHBondContact O-CB 3.45Å; R65-A69 PolarHBondContact O-N 3.08Å
66D98.4Very high97.7Very high100 Ų10063.4 Ų63.454%0.53534%0.338SS..Hα-helixtrans-65.7-40.7179.2-66.5-28.4000111S62 E63 A69 A70S62-D66 VanDerWaalsContact O-CG 3.23Å; S62-D66 PolarHBondContact O-N 3.34Å; E63-D66 PolarHBondContact O-N 3Å; D66-A69 PolarHBondContact O-N 3.26Å; D66-A70 WeakPolarHBondContact O-CB 3.37Å; D66-A70 PolarHBondContact O-N 2.94Å
67L98.1Very high97.9Very high36 Ų3659.6 Ų59.619%0.18832%0.318CS..Hα-helixtrans-61.4-45.3172.9-70.9168.5000111.9E63 L64 A70 D71 Y75 V100E63-L67 VanDerWaalsContact O-CG 3.25Å; E63-L67 WeakPolarHBondContact O-CG 3.31Å; E63-L67 PolarHBondContact O-N 3.31Å; L64-L67 HydrophobicContact CD2-CD1 4.49Å; L67-A70 PolarHBondContact O-N 3.49Å; L67-D71 PolarHBondContact O-N 3.37Å; L67-Y75 HydrophobicContact CB-CD1 3.72Å; L67-Y75 HydrophobicContact CB-CD2 4.3Å; L67-Y75 HydrophobicContact CB-CE1 3.77Å; L67-Y75 HydrophobicContact CB-CE2 4.34Å; L67-Y75 HydrophobicContact CB-CG 4.01Å; L67-Y75 HydrophobicContact CD1-CD1 4.37Å; L67-Y75 HydrophobicContact CD1-CE1 3.79Å; L67-Y75 HydrophobicContact CD2-CE1 4.22Å; L67-Y75 HydrophobicContact CD2-CE2 4.4Å; L67-Y75 HydrophobicContact CG-CE1 4.14Å; L67-V100 HydrophobicContact CD1-CG1 4.26Å
68Y98.3Very high98Very high70 Ų7059.1 Ų59.128%0.27532%0.315SS..Hα-helixtrans-64.2-39.6174.8174.7-113.2000113.1P30 L64 R65 A70 D71 K72 Y75P30-Y68 HydrophobicContact CB-CD1 4.05Å; P30-Y68 HydrophobicContact CB-CE1 3.86Å; P30-Y68 HydrophobicContact CG-CD1 4.36Å; P30-Y68 HydrophobicContact CG-CD2 4.49Å; P30-Y68 HydrophobicContact CG-CE1 3.96Å; P30-Y68 HydrophobicContact CG-CE2 4.12Å; L64-Y68 PolarHBondContact O-N 3.19Å; R65-Y68 PolarHBondContact O-N 3.37Å; Y68-A70 VanDerWaalsContact C-N 3.31Å; Y68-A70 PolarHBondContact O-N 3.43Å; Y68-D71 CarbonylContact O-C 3.55Å; Y68-D71 VanDerWaalsContact O-C 3.3Å; Y68-D71 PolarHBondContact O-N 2.98Å; Y68-K72 HydrophobicContact CD2-CB 4.44Å; Y68-K72 HydrophobicContact CD2-CG 4.47Å; Y68-K72 HydrophobicContact CE2-CB 3.91Å; Y68-K72 HydrophobicContact CE2-CG 4.08Å; Y68-K72 WeakPolarHBondContact O-CA 3.43Å; Y68-K72 VanDerWaalsContact O-CG 3.22Å; Y68-K72 WeakPolarHBondContact O-CG 3.2Å; Y68-K72 PolarHBondContact O-N 3.11Å; Y68-K72 VanDerWaalsContact O-N 3.15Å; Y68-Y75 VanDerWaalsContact CD2-O 3.27Å; Y68-Y75 WeakPolarHBondContact CD2-O 3.43Å
69A98.2Very high98.1Very high66 Ų6658.7 Ų58.755%0.54531%0.306SS..Hα-helixtrans-64.5-37.4177.300000112R65 D66R65-A69 WeakPolarHBondContact O-CB 3.45Å; R65-A69 PolarHBondContact O-N 3.08Å; D66-A69 PolarHBondContact O-N 3.26Å
70A97.8Very high98.2Very high89 Ų8956 Ų5674%0.73629%0.294SS*.Hα-helixtrans-72.8-36.8177.500000113.1D66 L67 Y68D66-A70 WeakPolarHBondContact O-CB 3.37Å; D66-A70 PolarHBondContact O-N 2.94Å; L67-A70 PolarHBondContact O-N 3.49Å; Y68-A70 VanDerWaalsContact C-N 3.31Å; Y68-A70 PolarHBondContact O-N 3.43Å
71D97.7Very high98.2Very high40 Ų4054.9 Ų54.921%0.21429%0.289CS..  trans-144.989178.9-174.9-15.5000111.7L67 Y68 I73 N74 Y75L67-D71 PolarHBondContact O-N 3.37Å; Y68-D71 CarbonylContact O-C 3.55Å; Y68-D71 VanDerWaalsContact O-C 3.3Å; Y68-D71 PolarHBondContact O-N 2.98Å; D71-I73 PolarHBondContact O-N 3.17Å; D71-I73 VanDerWaalsContact O-N 3.16Å; D71-I73 PolarHBondContact OD1-N 3.33Å; D71-I73 VanDerWaalsContact OD1-N 3.09Å; D71-N74 PolarHBondContact OD1-N 3.37Å; D71-N74 WeakPolarHBondContact OD2-CB 3.33Å; D71-N74 PolarHBondContact OD2-ND2 3.35Å; D71-Y75 HydrophobicContact CB-CD2 4.09Å; D71-Y75 WeakPolarHBondContact O-CB 3.16Å; D71-Y75 PolarHBondContact O-N 3.39Å; D71-Y75 VanDerWaalsContact O-N 3.12Å
72K97.9Very high98.1Very high137 Ų13754.8 Ų54.860%0.59629%0.288SS*.THydrogen-bonded Turntrans-66.4-15.2-177.8-65.1-178.3-179.3179.50114.2Y68 K76Y68-K72 HydrophobicContact CD2-CB 4.44Å; Y68-K72 HydrophobicContact CD2-CG 4.47Å; Y68-K72 HydrophobicContact CE2-CB 3.91Å; Y68-K72 HydrophobicContact CE2-CG 4.08Å; Y68-K72 WeakPolarHBondContact O-CA 3.43Å; Y68-K72 VanDerWaalsContact O-CG 3.22Å; Y68-K72 WeakPolarHBondContact O-CG 3.2Å; Y68-K72 PolarHBondContact O-N 3.11Å; Y68-K72 VanDerWaalsContact O-N 3.15Å; K72-K76 WeakPolarHBondContact O-CB 3.31Å
73I98.2Very high98.1Very high123 Ų12356.2 Ų56.263%0.63129%0.291SS*.THydrogen-bonded Turntrans-88.1-54.1-178-67.3166.5000109D71 Q80D71-I73 PolarHBondContact O-N 3.17Å; D71-I73 VanDerWaalsContact O-N 3.16Å; D71-I73 PolarHBondContact OD1-N 3.33Å; D71-I73 VanDerWaalsContact OD1-N 3.09Å; I73-Q80 PolarHBondContact O-NE2 3.38Å
74N97.8Very high98Very high47 Ų4756.5 Ų56.525%0.25129%0.29SS..THydrogen-bonded Turntrans-76.6-27-174.9-70.3-51.7000112.9D71 Q80 M81 Y84D71-N74 PolarHBondContact OD1-N 3.37Å; D71-N74 WeakPolarHBondContact OD2-CB 3.33Å; D71-N74 PolarHBondContact OD2-ND2 3.35Å; N74-Q80 CarbonylContact O-C 3.3Å; N74-Q80 WeakPolarHBondContact O-CB 3.43Å; N74-M81 WeakPolarHBondContact O-CA 3.29Å; N74-M81 PolarHBondContact O-N 3.39Å; N74-Y84 HydrophobicContact CB-CD1 3.84Å; N74-Y84 HydrophobicContact CB-CD2 3.74Å; N74-Y84 HydrophobicContact CB-CE1 4.37Å; N74-Y84 HydrophobicContact CB-CE2 4.28Å; N74-Y84 HydrophobicContact CB-CG 3.49Å; N74-Y84 VanDerWaalsContact CB-CG 3.49Å; N74-Y84 WeakPolarHBondContact ND2-CD2 3.32Å; N74-Y84 WeakPolarHBondContact ND2-CE2 3.34Å
75Y98.2Very high97.9Very high17 Ų1756.7 Ų56.77%0.06729%0.291CS..THydrogen-bonded Turntrans-102.622.4177.4-69.6-90.9000113L29 L67 Y68 D71 M81 Y84 E85L29-Y75 WeakPolarHBondContact CB-O 3.38Å; L29-Y75 HydrophobicContact CD2-CD1 4.11Å; L29-Y75 WeakPolarHBondContact CD2-O 3.3Å; L67-Y75 HydrophobicContact CB-CD1 3.72Å; L67-Y75 HydrophobicContact CB-CD2 4.3Å; L67-Y75 HydrophobicContact CB-CE1 3.77Å; L67-Y75 HydrophobicContact CB-CE2 4.34Å; L67-Y75 HydrophobicContact CB-CG 4.01Å; L67-Y75 HydrophobicContact CD1-CD1 4.37Å; L67-Y75 HydrophobicContact CD1-CE1 3.79Å; L67-Y75 HydrophobicContact CD2-CE1 4.22Å; L67-Y75 HydrophobicContact CD2-CE2 4.4Å; L67-Y75 HydrophobicContact CG-CE1 4.14Å; Y68-Y75 VanDerWaalsContact CD2-O 3.27Å; Y68-Y75 WeakPolarHBondContact CD2-O 3.43Å; D71-Y75 HydrophobicContact CB-CD2 4.09Å; D71-Y75 WeakPolarHBondContact O-CB 3.16Å; D71-Y75 PolarHBondContact O-N 3.39Å; D71-Y75 VanDerWaalsContact O-N 3.12Å; Y75-M81 HydrophobicContact CD1-CB 4.05Å; Y75-M81 HydrophobicContact CD1-CG 3.51Å; Y75-M81 HydrophobicContact CD1-SD 3.71Å; Y75-M81 HydrophobicContact CE1-CB 4.41Å; Y75-M81 HydrophobicContact CE1-CG 3.47Å; Y75-M81 VanDerWaalsContact CE1-CG 3.47Å; Y75-M81 HydrophobicContact CE1-SD 3.81Å; Y75-Y84 AromaticContact CE2-CD1 3.83Å; Y75-Y84 HydrophobicContact CE2-CD1 3.83Å; Y75-Y84 AromaticContact CE2-CE1 3.68Å; Y75-Y84 HydrophobicContact CE2-CE1 3.68Å; Y75-E85 PolarHBondContact OH-OE1 3.12Å
76K98.5Very high97.6Very high107 Ų10755.5 Ų55.547%0.46529%0.289SS..SBendtrans-69.1-41.2177.7-178.5-179.2176.5-172.30112.5L29 P30 K72L29-K76 PolarHBondContact N-O 3.03Å; P30-K76 VanDerWaalsContact CD-O 3.23Å; P30-K76 WeakPolarHBondContact CD-O 3.38Å; K72-K76 WeakPolarHBondContact O-CB 3.31Å
77S98.6Very high97.3Very high3 Ų357.8 Ų57.82%0.02129%0.294CS..BIsolated β-bridgetrans-135.3166.9-179.579.60000111.3D26 V27 Q80 M81D26-S77 WeakPolarHBondContact OD2-CB 3.49Å; D26-S77 PolarHBondContact OD2-OG 3.31Å; V27-S77 CarbonylContact O-C 3.08Å; V27-S77 VanDerWaalsContact O-CA 3.25Å; V27-S77 WeakPolarHBondContact O-CA 2.93Å; V27-S77 WeakPolarHBondContact O-CB 3.47Å; S77-Q80 PolarHBondContact O-N 2.96Å; S77-Q80 WeakPolarHBondContact OG-CG 3.2Å; S77-Q80 PolarHBondContact OG-N 3.3Å; S77-M81 WeakPolarHBondContact O-CB 3.4Å; S77-M81 PolarHBondContact O-N 3.44Å
78V98.7Very high97Very high0 Ų061.6 Ų61.60%031%0.311CS..Hα-helixtrans-65.3-44.8-178.8176.80000110.8D26 V27 L29 M81 V82 L105 I207 V210 F211D26-V78 PolarHBondContact OD1-N 2.86Å; V27-V78 HydrophobicContact CB-CB 4.44Å; V27-V78 HydrophobicContact CB-CG2 3.84Å; V27-V78 HydrophobicContact CG1-CG2 4.02Å; V27-V78 WeakPolarHBondContact O-CG2 3.46Å; V27-V78 PolarHBondContact O-N 3.18Å; L29-V78 HydrophobicContact CD1-CG2 4.33Å; V78-M81 PolarHBondContact O-N 2.91Å; V78-V82 HydrophobicContact CG1-CG2 4.49Å; V78-V82 WeakPolarHBondContact O-CB 3.36Å; V78-V82 WeakPolarHBondContact O-CG2 3.41Å; V78-V82 PolarHBondContact O-N 3.22Å; V78-L105 HydrophobicContact CB-CD2 4.26Å; V78-L105 HydrophobicContact CG1-CD2 3.7Å; V78-L105 HydrophobicContact CG2-CD2 3.58Å; V78-I207 HydrophobicContact CG1-CG2 4.45Å; V78-I207 HydrophobicContact CG2-CG1 4.24Å; V78-V210 HydrophobicContact CG1-CB 4.39Å; V78-V210 HydrophobicContact CG1-CG1 4.1Å; V78-F211 HydrophobicContact CG1-CD1 4.21Å; V78-F211 HydrophobicContact CG1-CE1 3.64Å
79E98.2Very high96.5Very high59 Ų5958.8 Ų58.828%0.27630%0.3SS..Hα-helixtrans-63.4-43176.4-171.2167.6-146.600112.1D26 M81 V82 L83 V210 K213D26-E79 PolarHBondContact OD1-N 3.48Å; D26-E79 WeakPolarHBondContact OD2-CB 3.31Å; E79-M81 VanDerWaalsContact C-N 3.34Å; E79-M81 PolarHBondContact O-N 3.45Å; E79-V82 PolarHBondContact O-N 3.25Å; E79-L83 HydrophobicContact CG-CD1 3.94Å; E79-L83 HydrophobicContact CG-CG 4.35Å; E79-L83 WeakPolarHBondContact O-CB 3.45Å; E79-L83 VanDerWaalsContact O-CG 3.27Å; E79-L83 WeakPolarHBondContact O-CG 3.44Å; E79-L83 PolarHBondContact O-N 3.49Å; E79-V210 HydrophobicContact CB-CG1 4.24Å; E79-V210 HydrophobicContact CB-CG2 4.35Å; E79-K213 IonicContact OE1-NZ 3.63Å; E79-K213 PolarHBondContact OE1-NZ 3.42Å
80Q98Very high95.9Very high67 Ų6761.2 Ų61.231%0.31330%0.301SS..Hα-helixtrans-61.5-42.3176.6-70.4-173.1-96.100112.1I73 N74 S77 Y84I73-Q80 PolarHBondContact O-NE2 3.38Å; N74-Q80 CarbonylContact O-C 3.3Å; N74-Q80 WeakPolarHBondContact O-CB 3.43Å; S77-Q80 PolarHBondContact O-N 2.96Å; S77-Q80 WeakPolarHBondContact OG-CG 3.2Å; S77-Q80 PolarHBondContact OG-N 3.3Å; Q80-Y84 VanDerWaalsContact O-CB 3.27Å; Q80-Y84 WeakPolarHBondContact O-CB 3.04Å; Q80-Y84 PolarHBondContact O-N 3.42Å
81M98.4Very high95.3Very high0 Ų064.8 Ų64.80%030%0.302CS..Hα-helixtrans-62.2-47.9177.9174.5-177.873.100111.1L29 L64 N74 Y75 S77 V78 E79 Y84 E85 L105L29-M81 HydrophobicContact CD2-SD 4Å; L64-M81 HydrophobicContact CD2-SD 4.34Å; N74-M81 WeakPolarHBondContact O-CA 3.29Å; N74-M81 PolarHBondContact O-N 3.39Å; Y75-M81 HydrophobicContact CD1-CB 4.05Å; Y75-M81 HydrophobicContact CD1-CG 3.51Å; Y75-M81 HydrophobicContact CD1-SD 3.71Å; Y75-M81 HydrophobicContact CE1-CB 4.41Å; Y75-M81 HydrophobicContact CE1-CG 3.47Å; Y75-M81 VanDerWaalsContact CE1-CG 3.47Å; Y75-M81 HydrophobicContact CE1-SD 3.81Å; S77-M81 WeakPolarHBondContact O-CB 3.4Å; S77-M81 PolarHBondContact O-N 3.44Å; V78-M81 PolarHBondContact O-N 2.91Å; E79-M81 VanDerWaalsContact C-N 3.34Å; E79-M81 PolarHBondContact O-N 3.45Å; M81-Y84 PolarHBondContact O-N 3.49Å; M81-E85 WeakPolarHBondContact O-CB 3.31Å; M81-E85 WeakPolarHBondContact O-CG 3.34Å; M81-E85 PolarHBondContact O-N 2.88Å; M81-L105 HydrophobicContact CE-CB 4.05Å; M81-L105 HydrophobicContact CE-CD2 3.57Å; M81-L105 HydrophobicContact CE-CG 4.46Å
82V97Very high94.5Very high0 Ų066.2 Ų66.20%031%0.309CS..Hα-helixtrans-62.2-47.2-179.2166.80000110.8V78 E79 Y84 E85 E86 V210 F211 H214 M216V78-V82 HydrophobicContact CG1-CG2 4.49Å; V78-V82 WeakPolarHBondContact O-CB 3.36Å; V78-V82 WeakPolarHBondContact O-CG2 3.41Å; V78-V82 PolarHBondContact O-N 3.22Å; E79-V82 PolarHBondContact O-N 3.25Å; V82-Y84 PolarHBondContact O-N 2.95Å; V82-E85 PolarHBondContact O-N 3.44Å; V82-E86 VanDerWaalsContact O-CB 3.23Å; V82-E86 WeakPolarHBondContact O-CB 3.47Å; V82-E86 PolarHBondContact O-N 3.24Å; V82-V210 HydrophobicContact CB-CG1 4.29Å; V82-V210 HydrophobicContact CG2-CG1 4.09Å; V82-F211 HydrophobicContact CG2-CD1 4.04Å; V82-F211 HydrophobicContact CG2-CE1 3.68Å; V82-H214 HydrophobicContact CG1-CB 3.41Å; V82-H214 VanDerWaalsContact CG1-CB 3.41Å; V82-H214 VanDerWaalsContact CG1-CG 3.41Å; V82-M216 HydrophobicContact CG1-CE 4.1Å; V82-M216 HydrophobicContact CG1-CG 4Å
83L96.3Very high93.5Very high82 Ų8263.6 Ų63.643%0.42931%0.306SS..Hα-helixtrans-61.3-43177.5-73.4171.4000112.2E79 K87 H214E79-L83 HydrophobicContact CG-CD1 3.94Å; E79-L83 HydrophobicContact CG-CG 4.35Å; E79-L83 WeakPolarHBondContact O-CB 3.45Å; E79-L83 VanDerWaalsContact O-CG 3.27Å; E79-L83 WeakPolarHBondContact O-CG 3.44Å; E79-L83 PolarHBondContact O-N 3.49Å; L83-K87 WeakPolarHBondContact O-CB 3.18Å; L83-K87 PolarHBondContact O-N 3.48Å; L83-H214 WeakPolarHBondContact CD2-CE1 3.45Å
84Y96.9Very high92.3Very high63 Ų6360 Ų6025%0.24729%0.289CS..Hα-helixtrans-62.2-51.8177.2172-109.5000111.3N74 Y75 Q80 M81 V82 E86 K87 Q88N74-Y84 HydrophobicContact CB-CD1 3.84Å; N74-Y84 HydrophobicContact CB-CD2 3.74Å; N74-Y84 HydrophobicContact CB-CE1 4.37Å; N74-Y84 HydrophobicContact CB-CE2 4.28Å; N74-Y84 HydrophobicContact CB-CG 3.49Å; N74-Y84 VanDerWaalsContact CB-CG 3.49Å; N74-Y84 WeakPolarHBondContact ND2-CD2 3.32Å; N74-Y84 WeakPolarHBondContact ND2-CE2 3.34Å; Y75-Y84 AromaticContact CE2-CD1 3.83Å; Y75-Y84 HydrophobicContact CE2-CD1 3.83Å; Y75-Y84 AromaticContact CE2-CE1 3.68Å; Y75-Y84 HydrophobicContact CE2-CE1 3.68Å; Q80-Y84 VanDerWaalsContact O-CB 3.27Å; Q80-Y84 WeakPolarHBondContact O-CB 3.04Å; Q80-Y84 PolarHBondContact O-N 3.42Å; M81-Y84 PolarHBondContact O-N 3.49Å; V82-Y84 PolarHBondContact O-N 2.95Å; Y84-E86 VanDerWaalsContact C-N 3.34Å; Y84-E86 PolarHBondContact O-N 2.82Å; Y84-K87 PolarHBondContact O-N 3.47Å; Y84-Q88 HydrophobicContact CD2-CG 4.34Å; Y84-Q88 HydrophobicContact CE1-CG 4.19Å; Y84-Q88 HydrophobicContact CE2-CG 3.96Å; Y84-Q88 WeakPolarHBondContact O-CG 3.24Å; Y84-Q88 PolarHBondContact O-N 2.87Å
85E95.9Very high91.1Very high4 Ų466.8 Ų66.82%0.01932%0.317CS..Hα-helixtrans-68.1-33.2-178.4-69.6-169.9154.300112.7Y75 M81 V82 Q88 N89 C99 V100 G101 S102Y75-E85 PolarHBondContact OH-OE1 3.12Å; M81-E85 WeakPolarHBondContact O-CB 3.31Å; M81-E85 WeakPolarHBondContact O-CG 3.34Å; M81-E85 PolarHBondContact O-N 2.88Å; V82-E85 PolarHBondContact O-N 3.44Å; E85-Q88 PolarHBondContact O-N 3.16Å; E85-N89 WeakPolarHBondContact O-CB 3.47Å; E85-N89 PolarHBondContact O-N 3.43Å; E85-N89 PolarHBondContact O-ND2 3.38Å; E85-C99 HydrophobicContact CB-CB 4.09Å; E85-C99 WeakPolarHBondContact OE2-CA 3.39Å; E85-C99 VanDerWaalsContact OE2-CB 3.27Å; E85-C99 WeakPolarHBondContact OE2-CB 3.33Å; E85-V100 PolarHBondContact OE1-N 3.31Å; E85-G101 WeakPolarHBondContact OE1-CA 3.14Å; E85-G101 PolarHBondContact OE1-N 2.95Å; E85-S102 VanDerWaalsContact OE2-CB 3.22Å; E85-S102 WeakPolarHBondContact OE2-CB 3.31Å; E85-S102 PolarHBondContact OE2-N 2.88Å; E85-S102 PolarHBondContact OE2-OG 3.39Å
86E92Very high90.1Very high56 Ų5673 Ų7326%0.26235%0.345SS..Hα-helixtrans-61.1-49.1172.1-179.6162.1-143.200111V82 Y84 Q88 N89 E90 R97 H214 M216V82-E86 VanDerWaalsContact O-CB 3.23Å; V82-E86 WeakPolarHBondContact O-CB 3.47Å; V82-E86 PolarHBondContact O-N 3.24Å; Y84-E86 VanDerWaalsContact C-N 3.34Å; Y84-E86 PolarHBondContact O-N 2.82Å; E86-Q88 VanDerWaalsContact C-N 3.35Å; E86-Q88 PolarHBondContact O-N 3.41Å; E86-N89 CarbonylContact O-C 3.34Å; E86-N89 PolarHBondContact O-N 3.12Å; E86-E90 PolarHBondContact O-N 2.75Å; E86-R97 IonicContact OE1-NH1 3.68Å; E86-H214 IonicContact OE2-CE1 2.66Å; E86-H214 IonicContact OE2-CG 2.64Å; E86-H214 IonicContact OE2-ND1 3.74Å; E86-H214 PolarHBondContact OE2-ND1 3.11Å; E86-M216 HydrophobicContact CB-CE 3.94Å; E86-M216 HydrophobicContact CG-CE 4.47Å
87K93.1Very high89.1Confident147 Ų14769.7 Ų69.764%0.63933%0.329SS*.Hα-helixtrans-60-42.1177.4-174179-179.71800112.5L83 Y84 N89 E90L83-K87 WeakPolarHBondContact O-CB 3.18Å; L83-K87 PolarHBondContact O-N 3.48Å; Y84-K87 PolarHBondContact O-N 3.47Å; K87-N89 PolarHBondContact O-N 3.49Å; K87-N89 VanDerWaalsContact O-N 3.15Å; K87-E90 WeakPolarHBondContact O-CG 3.49Å; K87-E90 PolarHBondContact O-N 3.4Å
88Q91Very high88.4Confident117 Ų11777.2 Ų77.255%0.54736%0.361SS..Hα-helixtrans-63.7-18.7176.5-66.4-57.3-39.500113.3Y84 E85 E86Y84-Q88 HydrophobicContact CD2-CG 4.34Å; Y84-Q88 HydrophobicContact CE1-CG 4.19Å; Y84-Q88 HydrophobicContact CE2-CG 3.96Å; Y84-Q88 WeakPolarHBondContact O-CG 3.24Å; Y84-Q88 PolarHBondContact O-N 2.87Å; E85-Q88 PolarHBondContact O-N 3.16Å; E86-Q88 VanDerWaalsContact C-N 3.35Å; E86-Q88 PolarHBondContact O-N 3.41Å
89N88.1Confident88Confident10 Ų1077.2 Ų77.25%0.05336%0.361CS..THydrogen-bonded Turntrans-121.217.8-175-66.7-85.4000113E85 E86 K87 H91 L92 R97 K98E85-N89 WeakPolarHBondContact O-CB 3.47Å; E85-N89 PolarHBondContact O-N 3.43Å; E85-N89 PolarHBondContact O-ND2 3.38Å; E86-N89 CarbonylContact O-C 3.34Å; E86-N89 PolarHBondContact O-N 3.12Å; K87-N89 PolarHBondContact O-N 3.49Å; K87-N89 VanDerWaalsContact O-N 3.15Å; N89-H91 PolarHBondContact O-N 2.96Å; N89-H91 VanDerWaalsContact O-N 3.11Å; N89-L92 PolarHBondContact O-N 3.16Å; N89-R97 HydrophobicContact CB-CB 3.73Å; N89-R97 HydrophobicContact CB-CG 3.68Å; N89-R97 WeakPolarHBondContact OD1-CA 3.23Å; N89-K98 PolarHBondContact OD1-N 2.65Å
90E85.5Confident87.7Confident118 Ų11876.9 Ų76.955%0.55136%0.363SS*.THydrogen-bonded Turntrans-58.1-29.8-173.265.4-179.1-169.800113.1E86 K87E86-E90 PolarHBondContact O-N 2.75Å; K87-E90 WeakPolarHBondContact O-CG 3.49Å; K87-E90 PolarHBondContact O-N 3.4Å
91H84.6Confident87.7Confident163 Ų16373.7 Ų73.776%0.75535%0.348SS*.THydrogen-bonded Turntrans-891178.9-53.4-44.8000114.5N89N89-H91 PolarHBondContact O-N 2.96Å; N89-H91 VanDerWaalsContact O-N 3.11Å
92L81.9Confident87.6Confident70 Ų7073.7 Ų73.737%0.36635%0.348SS..SBendtrans-109.1136.8-176-64.4177.4000111.4N89 K96 R97N89-L92 PolarHBondContact O-N 3.16Å; L92-K96 HydrophobicContact CB-CB 4.4Å; L92-R97 HydrophobicContact CB-CG 4.35Å
93P77.7Confident87.6Confident82 Ų8277.6 Ų77.653%0.53236%0.363SS..  trans-54.1144.7166.4-22.431.8000110.5K95 K96 R97P93-K95 PolarHBondContact O-N 2.76Å; P93-K96 WeakPolarHBondContact O-CA 3.21Å; P93-K96 PolarHBondContact O-N 3.43Å; P93-R97 PolarHBondContact O-N 2.74Å
94V71.2Confident87.7Confident47 Ų4774.1 Ų74.129%0.28535%0.345SS..G310 helixtrans-45.1-45.1-176.7177.30000112.7K96 R97V94-K96 PolarHBondContact O-N 3.4Å; V94-K96 VanDerWaalsContact O-N 3.09Å; V94-R97 PolarHBondContact O-N 2.99Å; V94-R97 VanDerWaalsContact O-N 3.14Å
95K73.5Confident87.8Confident190 Ų19071.1 Ų71.183%0.82633%0.334SS*.G310 helixtrans-62.5-16.5179.5-64.2-175.8179.3-179.40115.1P93P93-K95 PolarHBondContact O-N 2.76Å
96K77.2Confident87.9Confident149 Ų14971 Ų7165%0.64833%0.333SS*.G310 helixtrans-109.4-5-179.9-61.8-170179.7-178.60113.1L92 P93 V94 K98L92-K96 HydrophobicContact CB-CB 4.4Å; P93-K96 WeakPolarHBondContact O-CA 3.21Å; P93-K96 PolarHBondContact O-N 3.43Å; V94-K96 PolarHBondContact O-N 3.4Å; V94-K96 VanDerWaalsContact O-N 3.09Å; K96-K98 PolarHBondContact O-N 2.83Å
97R78.1Confident88.1Confident37 Ų3771.6 Ų71.614%0.1433%0.333CS..  trans-65.2131.7-179.5-59.1-174.5171.3177.6-8.6110.2E86 N89 L92 P93 V94 C99E86-R97 IonicContact OE1-NH1 3.68Å; N89-R97 HydrophobicContact CB-CB 3.73Å; N89-R97 HydrophobicContact CB-CG 3.68Å; N89-R97 WeakPolarHBondContact OD1-CA 3.23Å; L92-R97 HydrophobicContact CB-CG 4.35Å; P93-R97 PolarHBondContact O-N 2.74Å; V94-R97 PolarHBondContact O-N 2.99Å; V94-R97 VanDerWaalsContact O-N 3.14Å; R97-C99 VanDerWaalsContact C-N 3.26Å; R97-C99 VanDerWaalsContact CB-SG 3.58Å; R97-C99 PolarHBondContact O-N 2.97Å
98K83.8Confident88.4Confident160 Ų16064.7 Ų64.770%0.69630%0.303SS*.  trans-89.358.1173.8-64-175.9-179.8-179.80110.3N89 K96 V100N89-K98 PolarHBondContact OD1-N 2.65Å; K96-K98 PolarHBondContact O-N 2.83Å; K98-V100 VanDerWaalsContact C-N 3.29Å; K98-V100 PolarHBondContact O-N 3.39Å; K98-V100 VanDerWaalsContact O-N 3.09Å
99C88.6Confident88.7Confident0 Ų059.1 Ų59.10%028%0.277CS..  trans-83.570.5176.2-56.60000109.8E85 R97 R103 L219E85-C99 HydrophobicContact CB-CB 4.09Å; E85-C99 WeakPolarHBondContact OE2-CA 3.39Å; E85-C99 VanDerWaalsContact OE2-CB 3.27Å; E85-C99 WeakPolarHBondContact OE2-CB 3.33Å; R97-C99 VanDerWaalsContact C-N 3.26Å; R97-C99 VanDerWaalsContact CB-SG 3.58Å; R97-C99 PolarHBondContact O-N 2.97Å; C99-R103 WeakPolarHBondContact O-CB 3.25Å; C99-R103 WeakPolarHBondContact O-CD 3.32Å; C99-R103 WeakPolarHBondContact O-CG 3.47Å; C99-R103 PolarHBondContact O-N 2.74Å; C99-L219 HydrophobicContact CB-CD1 4.24Å; C99-L219 HydrophobicContact CB-CD2 4.33Å
100V93.3Very high89.2Confident53 Ų5360.2 Ų60.232%0.32128%0.28SS..Hα-helixtrans-59-53-171178.80000111E63 L67 E85 K98 R103 T104E63-V100 HydrophobicContact CG-CG1 4.27Å; E63-V100 WeakPolarHBondContact OE1-CG1 3.45Å; L67-V100 HydrophobicContact CD1-CG1 4.26Å; E85-V100 PolarHBondContact OE1-N 3.31Å; K98-V100 VanDerWaalsContact C-N 3.29Å; K98-V100 PolarHBondContact O-N 3.39Å; K98-V100 VanDerWaalsContact O-N 3.09Å; V100-R103 PolarHBondContact O-N 2.96Å; V100-T104 VanDerWaalsContact O-CB 3.29Å; V100-T104 WeakPolarHBondContact O-CB 3.39Å; V100-T104 PolarHBondContact O-N 3.31Å; V100-T104 PolarHBondContact O-OG1 2.96Å
101G97.5Very high89.7Confident0 Ų055.6 Ų55.60%026%0.262CS..Hα-helixtrans-62.5-47.3179.600000112.5E85 R103 T104 L105E85-G101 WeakPolarHBondContact OE1-CA 3.14Å; E85-G101 PolarHBondContact OE1-N 2.95Å; G101-R103 VanDerWaalsContact C-N 3.34Å; G101-R103 PolarHBondContact O-N 3.27Å; G101-T104 PolarHBondContact O-N 2.91Å; G101-L105 VanDerWaalsContact O-CB 3.31Å; G101-L105 WeakPolarHBondContact O-CB 3.3Å; G101-L105 PolarHBondContact O-N 3.18Å
102S97.3Very high90.3Very high0 Ų047.9 Ų47.90%023%0.226CC..Hα-helixtrans-63.2-41.5178.9-52.60000111.6E85 L106E85-S102 VanDerWaalsContact OE2-CB 3.22Å; E85-S102 WeakPolarHBondContact OE2-CB 3.31Å; E85-S102 PolarHBondContact OE2-N 2.88Å; E85-S102 PolarHBondContact OE2-OG 3.39Å; S102-L106 VanDerWaalsContact O-CB 3.31Å; S102-L106 WeakPolarHBondContact O-CB 3.36Å; S102-L106 PolarHBondContact O-N 3.47Å
103R96.4Very high91.1Very high81 Ų8146.1 Ų46.131%0.30622%0.217SC..Hα-helixtrans-62.1-46.5174.9-77.7170.977.3-152.4-2.1111C99 V100 G101 L106 R107 L219 P220C99-R103 WeakPolarHBondContact O-CB 3.25Å; C99-R103 WeakPolarHBondContact O-CD 3.32Å; C99-R103 WeakPolarHBondContact O-CG 3.47Å; C99-R103 PolarHBondContact O-N 2.74Å; V100-R103 PolarHBondContact O-N 2.96Å; G101-R103 VanDerWaalsContact C-N 3.34Å; G101-R103 PolarHBondContact O-N 3.27Å; R103-L106 WeakPolarHBondContact O-CB 3.2Å; R103-L106 PolarHBondContact O-N 3.09Å; R103-R107 WeakPolarHBondContact O-CD 3.41Å; R103-R107 PolarHBondContact O-N 3.24Å; R103-R107 PolarHBondContact O-NH1 2.98Å; R103-L219 HydrophobicContact CG-CB 3.73Å; R103-L219 HydrophobicContact CG-CD1 3.94Å; R103-L219 HydrophobicContact CG-CG 4.3Å; R103-P220 PolarHBondContact NE-O 2.78Å; R103-P220 PolarHBondContact NH2-O 3.03Å; R103-P220 VanDerWaalsContact NH2-O 3.13Å
104T97.8Very high92Very high10 Ų1044 Ų446%0.06120%0.2CC..Hα-helixtrans-66.2-46.6-178.1-68.80000111.1K60 E63 L64 V100 G101 L106 R107 L108K60-T104 HydrophobicContact CB-CG2 3.62Å; K60-T104 HydrophobicContact CD-CG2 4.41Å; K60-T104 HydrophobicContact CG-CG2 3.87Å; K60-T104 VanDerWaalsContact O-CG2 3.31Å; K60-T104 WeakPolarHBondContact O-CG2 3.23Å; E63-T104 HydrophobicContact CB-CG2 4.28Å; E63-T104 HydrophobicContact CG-CG2 4.46Å; E63-T104 WeakPolarHBondContact OE2-CB 3.39Å; E63-T104 VanDerWaalsContact OE2-CG2 3.24Å; E63-T104 WeakPolarHBondContact OE2-CG2 3.29Å; E63-T104 PolarHBondContact OE2-OG1 3.41Å; L64-T104 HydrophobicContact CD1-CG2 4.42Å; L64-T104 HydrophobicContact CD2-CG2 4.05Å; L64-T104 HydrophobicContact CG-CG2 3.85Å; V100-T104 VanDerWaalsContact O-CB 3.29Å; V100-T104 WeakPolarHBondContact O-CB 3.39Å; V100-T104 PolarHBondContact O-N 3.31Å; V100-T104 PolarHBondContact O-OG1 2.96Å; G101-T104 PolarHBondContact O-N 2.91Å; T104-L106 VanDerWaalsContact C-N 3.32Å; T104-L106 PolarHBondContact O-N 3.28Å; T104-R107 PolarHBondContact O-N 3.08Å; T104-L108 PolarHBondContact O-N 2.91Å
105L98.6Very high93.2Very high0 Ų043.1 Ų43.10%020%0.195CC..Hα-helixtrans-60.7-38.8174-178.461000111.8L29 Y32 L64 V78 M81 G101 R107 L108 H109 I207 F211L29-L105 HydrophobicContact CD1-CD2 4.24Å; Y32-L105 HydrophobicContact CD1-CD1 3.78Å; Y32-L105 HydrophobicContact CE1-CD1 3.24Å; Y32-L105 HydrophobicContact CE2-CD1 4.5Å; L64-L105 HydrophobicContact CD1-CB 4.23Å; L64-L105 HydrophobicContact CD1-CD1 4.12Å; L64-L105 HydrophobicContact CD2-CB 4.35Å; V78-L105 HydrophobicContact CB-CD2 4.26Å; V78-L105 HydrophobicContact CG1-CD2 3.7Å; V78-L105 HydrophobicContact CG2-CD2 3.58Å; M81-L105 HydrophobicContact CE-CB 4.05Å; M81-L105 HydrophobicContact CE-CD2 3.57Å; M81-L105 HydrophobicContact CE-CG 4.46Å; G101-L105 VanDerWaalsContact O-CB 3.31Å; G101-L105 WeakPolarHBondContact O-CB 3.3Å; G101-L105 PolarHBondContact O-N 3.18Å; L105-R107 VanDerWaalsContact C-N 3.27Å; L105-R107 PolarHBondContact O-N 2.82Å; L105-L108 PolarHBondContact O-N 2.95Å; L105-L108 VanDerWaalsContact O-N 3.14Å; L105-H109 VanDerWaalsContact O-CB 3.27Å; L105-H109 WeakPolarHBondContact O-CB 3.33Å; L105-H109 PolarHBondContact O-N 3.18Å; L105-I207 HydrophobicContact CD1-CD1 4.46Å; L105-I207 HydrophobicContact CD2-CG2 4.35Å; L105-F211 HydrophobicContact CB-CZ 4.08Å; L105-F211 HydrophobicContact CD2-CE1 4.01Å; L105-F211 HydrophobicContact CD2-CZ 3.76Å; L105-F211 HydrophobicContact CG-CZ 3.92Å
106L97.9Very high94.4Very high1 Ų134.2 Ų34.21%0.00516%0.156CC..Hα-helixtrans-55.7-39.5177.8-177.658.9000112.9S102 R103 T104 R110 F211 L219S102-L106 VanDerWaalsContact O-CB 3.31Å; S102-L106 WeakPolarHBondContact O-CB 3.36Å; S102-L106 PolarHBondContact O-N 3.47Å; R103-L106 WeakPolarHBondContact O-CB 3.2Å; R103-L106 PolarHBondContact O-N 3.09Å; T104-L106 VanDerWaalsContact C-N 3.32Å; T104-L106 PolarHBondContact O-N 3.28Å; L106-R110 HydrophobicContact CD1-CG 4.47Å; L106-R110 VanDerWaalsContact O-CG 3.29Å; L106-R110 WeakPolarHBondContact O-CG 3.4Å; L106-R110 PolarHBondContact O-N 2.94Å; L106-F211 HydrophobicContact CB-CD2 4.44Å; L106-F211 HydrophobicContact CB-CE2 3.77Å; L106-F211 HydrophobicContact CD1-CD2 3.8Å; L106-F211 HydrophobicContact CD1-CE2 3.97Å; L106-F211 HydrophobicContact CG-CE2 4.43Å; L106-L219 HydrophobicContact CD2-CB 3.94Å
107R97.6Very high95.4Very high68 Ų6829.3 Ų29.326%0.25714%0.137SC..Hα-helixtrans-69.6-44.2178.3-75.481.3167.7145.86.5111.2K60 R103 T104 L105 H109 R110 A111 P220K60-R107 HydrophobicContact CD-CB 3.77Å; K60-R107 HydrophobicContact CD-CG 4.5Å; K60-R107 VanDerWaalsContact CE-CB 3.5Å; R103-R107 WeakPolarHBondContact O-CD 3.41Å; R103-R107 PolarHBondContact O-N 3.24Å; R103-R107 PolarHBondContact O-NH1 2.98Å; T104-R107 PolarHBondContact O-N 3.08Å; L105-R107 VanDerWaalsContact C-N 3.27Å; L105-R107 PolarHBondContact O-N 2.82Å; R107-H109 VanDerWaalsContact C-N 3.34Å; R107-R110 PolarHBondContact O-N 3.5Å; R107-A111 WeakPolarHBondContact O-CB 3.44Å; R107-A111 PolarHBondContact O-N 3.43Å; R107-P220 VanDerWaalsContact CZ-O 3.26Å; R107-P220 PolarHBondContact NH1-O 3.37Å; R107-P220 PolarHBondContact NH2-O 3.06Å; R107-P220 PolarHBondContact NH2-OXT 3.26Å
108L98.2Very high96.3Very high2 Ų228.4 Ų28.41%0.0114%0.135CC..Hα-helixtrans-62.2-43.2175.5-66.4177.2000110.9Y32 Y36 V57 K60 V61 L64 T104 L105 R110 A111 L112Y32-L108 HydrophobicContact CE1-CB 4.4Å; Y32-L108 HydrophobicContact CE1-CD1 4.38Å; Y36-L108 HydrophobicContact CD1-CD2 4.12Å; Y36-L108 HydrophobicContact CD2-CB 4.27Å; Y36-L108 HydrophobicContact CE1-CD2 3.69Å; Y36-L108 HydrophobicContact CE2-CB 3.74Å; Y36-L108 HydrophobicContact CE2-CD2 4.31Å; Y36-L108 WeakPolarHBondContact CE2-O 3.3Å; Y36-L108 PolarHBondContact OH-O 3.42Å; V57-L108 HydrophobicContact CG1-CD2 4.21Å; K60-L108 HydrophobicContact CB-CD1 4Å; K60-L108 HydrophobicContact CB-CD2 3.93Å; K60-L108 HydrophobicContact CB-CG 3.96Å; K60-L108 HydrophobicContact CD-CD2 4.27Å; K60-L108 HydrophobicContact CD-CG 4.26Å; V61-L108 HydrophobicContact CG2-CD1 3.93Å; V61-L108 HydrophobicContact CG2-CD2 4.31Å; L64-L108 HydrophobicContact CD1-CD1 3.7Å; T104-L108 PolarHBondContact O-N 2.91Å; L105-L108 PolarHBondContact O-N 2.95Å; L105-L108 VanDerWaalsContact O-N 3.14Å; L108-R110 PolarHBondContact O-N 3.04Å; L108-A111 CarbonylContact O-C 3.59Å; L108-A111 PolarHBondContact O-N 3.35Å; L108-A111 VanDerWaalsContact O-N 3.16Å; L108-L112 WeakPolarHBondContact O-CB 3.23Å; L108-L112 PolarHBondContact O-N 2.98Å
109H98.2Very high96.8Very high1 Ų121.4 Ų21.41%0.00510%0.104CC..Hα-helixtrans-57.1-48.7176.3174.163.7000112.5L105 R107 A111 L112 L113 Y204 I207 Q208L105-H109 VanDerWaalsContact O-CB 3.27Å; L105-H109 WeakPolarHBondContact O-CB 3.33Å; L105-H109 PolarHBondContact O-N 3.18Å; R107-H109 VanDerWaalsContact C-N 3.34Å; H109-A111 VanDerWaalsContact C-N 3.3Å; H109-A111 PolarHBondContact O-N 3.42Å; H109-L112 WeakPolarHBondContact O-CB 3.37Å; H109-L112 PolarHBondContact O-N 3Å; H109-L113 PolarHBondContact O-N 2.96Å; H109-Y204 AromaticContact CE1-CD2 3.17Å; H109-Y204 WeakPolarHBondContact CE1-CD2 3.05Å; H109-Y204 AromaticContact CE1-CE2 3.01Å; H109-Y204 WeakPolarHBondContact CE1-CE2 2.83Å; H109-Y204 AromaticContact CE1-CG 3.77Å; H109-Y204 AromaticContact CE1-CZ 3.53Å; H109-Y204 PolarHBondContact CE1-O 3.28Å; H109-Y204 VanDerWaalsContact CE1-O 3.26Å; H109-Y204 AromaticContact ND1-CD2 3.37Å; H109-Y204 WeakPolarHBondContact ND1-CD2 3.36Å; H109-Y204 AromaticContact ND1-CE2 3.47Å; H109-Y204 WeakPolarHBondContact ND1-CE2 3.38Å; H109-Y204 AromaticContact NE2-CE2 3.37Å; H109-Y204 WeakPolarHBondContact NE2-CE2 3.41Å; H109-Y204 AromaticContact NE2-CZ 3.64Å; H109-Y204 WeakPolarHBondContact O-CE2 3.11Å; H109-I207 HydrophobicContact CB-CG2 4.19Å; H109-Q208 PolarHBondContact NE2-OE1 3.25Å
110R97.9Very high97.2Very high33 Ų3324.8 Ų24.813%0.12512%0.12CC..Hα-helixtrans-61.9-38.1175.7-71.9165.9174.1172.31.1112.2L106 R107 L108 L143 Y146 L217L106-R110 HydrophobicContact CD1-CG 4.47Å; L106-R110 VanDerWaalsContact O-CG 3.29Å; L106-R110 WeakPolarHBondContact O-CG 3.4Å; L106-R110 PolarHBondContact O-N 2.94Å; R107-R110 PolarHBondContact O-N 3.5Å; L108-R110 PolarHBondContact O-N 3.04Å; R110-L143 HydrophobicContact CB-CD2 3.96Å; R110-Y146 HydrophobicContact CB-CD2 4.3Å; R110-Y146 HydrophobicContact CB-CE2 4.31Å; R110-Y146 HydrophobicContact CG-CD2 4.02Å; R110-Y146 HydrophobicContact CG-CE2 3.77Å; R110-Y146 VanDerWaalsContact CZ-CE1 3.45Å; R110-L217 PolarHBondContact NH2-O 3.09Å
111A97Very high97.4Very high21 Ų2124 Ų2417%0.17411%0.113CC..Hα-helixtrans-73.8-30.7177.300000112.7Y36 R107 L108 H109 L113 F114 V115 L143Y36-A111 WeakPolarHBondContact OH-CB 3.21Å; R107-A111 WeakPolarHBondContact O-CB 3.44Å; R107-A111 PolarHBondContact O-N 3.43Å; L108-A111 CarbonylContact O-C 3.59Å; L108-A111 PolarHBondContact O-N 3.35Å; L108-A111 VanDerWaalsContact O-N 3.16Å; H109-A111 VanDerWaalsContact C-N 3.3Å; H109-A111 PolarHBondContact O-N 3.42Å; A111-L113 VanDerWaalsContact C-N 3.3Å; A111-L113 PolarHBondContact O-N 3.49Å; A111-F114 WeakPolarHBondContact O-CB 3.31Å; A111-F114 PolarHBondContact O-N 2.64Å; A111-V115 WeakPolarHBondContact O-CG2 3.31Å; A111-V115 PolarHBondContact O-N 3.24Å; A111-L143 HydrophobicContact CB-CD2 4.37Å
112L97.9Very high97.3Very high0 Ų024.8 Ų24.80%012%0.117CC..Hα-helixtrans-60.6-41.3173-173.859.9000111.2F18 Y32 Y36 L108 H109 F114 V115 I116 M200F18-L112 HydrophobicContact CE1-CD1 3.93Å; F18-L112 HydrophobicContact CE1-CD2 4.06Å; F18-L112 HydrophobicContact CZ-CD1 3.75Å; Y32-L112 HydrophobicContact CE2-CD2 4.13Å; Y36-L112 HydrophobicContact CE2-CB 4.02Å; Y36-L112 HydrophobicContact CE2-CD1 4.35Å; Y36-L112 PolarHBondContact OH-N 2.74Å; L108-L112 WeakPolarHBondContact O-CB 3.23Å; L108-L112 PolarHBondContact O-N 2.98Å; H109-L112 WeakPolarHBondContact O-CB 3.37Å; H109-L112 PolarHBondContact O-N 3Å; L112-F114 VanDerWaalsContact C-N 3.32Å; L112-F114 PolarHBondContact O-N 2.9Å; L112-V115 PolarHBondContact O-N 2.94Å; L112-V115 VanDerWaalsContact O-N 3.13Å; L112-I116 HydrophobicContact CD1-CD1 4.41Å; L112-I116 HydrophobicContact CD1-CG1 4.4Å; L112-I116 HydrophobicContact CG-CD1 3.9Å; L112-I116 HydrophobicContact CG-CG1 4.35Å; L112-I116 VanDerWaalsContact O-CG1 3.31Å; L112-I116 WeakPolarHBondContact O-CG1 3.27Å; L112-I116 PolarHBondContact O-N 2.66Å; L112-M200 HydrophobicContact CD1-CE 3.73Å
113L97.8Very high97.2Very high33 Ų3326.2 Ų26.217%0.17313%0.127CC..Hα-helixtrans-56.1-47.7174.6-18057.7000111.6H109 A111 V115 I116 D117 T142 Y204H109-L113 PolarHBondContact O-N 2.96Å; A111-L113 VanDerWaalsContact C-N 3.3Å; A111-L113 PolarHBondContact O-N 3.49Å; L113-V115 VanDerWaalsContact C-N 3.31Å; L113-V115 PolarHBondContact O-N 3.02Å; L113-I116 PolarHBondContact O-N 3.27Å; L113-D117 WeakPolarHBondContact O-CB 3.47Å; L113-D117 PolarHBondContact O-N 3.42Å; L113-T142 HydrophobicContact CD2-CG2 3.92Å; L113-T142 HydrophobicContact CG-CG2 3.78Å; L113-Y204 HydrophobicContact CB-CD2 4.18Å; L113-Y204 HydrophobicContact CB-CE2 3.56Å; L113-Y204 HydrophobicContact CD1-CE1 4.3Å; L113-Y204 HydrophobicContact CD1-CE2 4.37Å; L113-Y204 HydrophobicContact CD2-CE2 4.45Å; L113-Y204 HydrophobicContact CG-CE2 4.33Å
114F97.3Very high97.2Very high38 Ų3829.8 Ų29.817%0.16714%0.14CC..Hα-helixtrans-56.6-44.8175.7168-94.9000111.7A111 L112 L118 V138 L143A111-F114 WeakPolarHBondContact O-CB 3.31Å; A111-F114 PolarHBondContact O-N 2.64Å; L112-F114 VanDerWaalsContact C-N 3.32Å; L112-F114 PolarHBondContact O-N 2.9Å; F114-L118 HydrophobicContact CE1-CD2 3.92Å; F114-L118 HydrophobicContact CZ-CD2 3.72Å; F114-L118 WeakPolarHBondContact O-CB 3.4Å; F114-L118 PolarHBondContact O-N 2.88Å; F114-V138 HydrophobicContact CD2-CB 4.26Å; F114-V138 HydrophobicContact CD2-CG1 3.69Å; F114-V138 HydrophobicContact CE2-CB 4.22Å; F114-V138 HydrophobicContact CE2-CG1 4.1Å; F114-V138 HydrophobicContact CG-CG1 4.44Å; F114-L143 HydrophobicContact CB-CD1 3.61Å; F114-L143 HydrophobicContact CB-CG 3.96Å; F114-L143 HydrophobicContact CD1-CD1 4.26Å; F114-L143 HydrophobicContact CD2-CD1 4.21Å; F114-L143 HydrophobicContact CG-CD1 3.77Å
115V96.4Very high97.1Very high29 Ų2929.7 Ų29.718%0.17614%0.141CC..Hα-helixtrans-64-47.8179.6174.90000111.4V39 A111 L112 L113 D117 L118 M119 M200V39-V115 HydrophobicContact CG2-CG1 3.8Å; A111-V115 WeakPolarHBondContact O-CG2 3.31Å; A111-V115 PolarHBondContact O-N 3.24Å; L112-V115 PolarHBondContact O-N 2.94Å; L112-V115 VanDerWaalsContact O-N 3.13Å; L113-V115 VanDerWaalsContact C-N 3.31Å; L113-V115 PolarHBondContact O-N 3.02Å; V115-D117 PolarHBondContact O-N 2.77Å; V115-L118 PolarHBondContact O-N 3.34Å; V115-M119 HydrophobicContact CG1-CE 3.86Å; V115-M119 HydrophobicContact CG1-CG 4.46Å; V115-M119 HydrophobicContact CG1-SD 4.12Å; V115-M119 WeakPolarHBondContact O-CB 3.3Å; V115-M119 WeakPolarHBondContact O-CG 3.36Å; V115-M119 PolarHBondContact O-N 3.24Å; V115-M200 HydrophobicContact CG1-CE 4.14Å
116I97.7Very high96.8Very high2 Ų233.4 Ų33.41%0.0116%0.164CC..Hα-helixtrans-60.1-49179.8-62.1163.4000110L112 L113 L118 M119 Q120 L197 M200L112-I116 HydrophobicContact CD1-CD1 4.41Å; L112-I116 HydrophobicContact CD1-CG1 4.4Å; L112-I116 HydrophobicContact CG-CD1 3.9Å; L112-I116 HydrophobicContact CG-CG1 4.35Å; L112-I116 VanDerWaalsContact O-CG1 3.31Å; L112-I116 WeakPolarHBondContact O-CG1 3.27Å; L112-I116 PolarHBondContact O-N 2.66Å; L113-I116 PolarHBondContact O-N 3.27Å; I116-L118 PolarHBondContact O-N 3.43Å; I116-M119 PolarHBondContact O-N 2.91Å; I116-Q120 WeakPolarHBondContact O-CB 3.4Å; I116-Q120 PolarHBondContact O-N 3.13Å; I116-L197 HydrophobicContact CG2-CD2 4.17Å; I116-M200 HydrophobicContact CD1-CB 3.92Å; I116-M200 HydrophobicContact CG1-CB 3.85Å; I116-M200 HydrophobicContact CG1-CE 3.86Å
117D97.8Very high96.5Very high46 Ų4639.4 Ų39.425%0.24620%0.203CC..Hα-helixtrans-66.6-38.5-177.6-73.26.4000111.6L113 V115 Q120 E121 V138 R201L113-D117 WeakPolarHBondContact O-CB 3.47Å; L113-D117 PolarHBondContact O-N 3.42Å; V115-D117 PolarHBondContact O-N 2.77Å; D117-Q120 PolarHBondContact O-N 3.47Å; D117-E121 WeakPolarHBondContact O-CB 3.27Å; D117-E121 PolarHBondContact O-N 3.16Å; D117-V138 HydrophobicContact CB-CG1 3.51Å; D117-V138 HydrophobicContact CB-CG2 4.46Å; D117-R201 IonicContact OD1-CZ 2.75Å; D117-R201 IonicContact OD1-NH1 3.35Å; D117-R201 IonicContact OD1-NH2 3.05Å; D117-R201 PolarHBondContact OD1-NH2 3.09Å
118L96.7Very high96.3Very high18 Ų1842.5 Ų42.59%0.09423%0.225CC..Hα-helixtrans-66.4-44.8176.7178.657.9000111.7F114 V115 I116 Q120 E121 I122 L131 M134 A135 V138F114-L118 HydrophobicContact CE1-CD2 3.92Å; F114-L118 HydrophobicContact CZ-CD2 3.72Å; F114-L118 WeakPolarHBondContact O-CB 3.4Å; F114-L118 PolarHBondContact O-N 2.88Å; V115-L118 PolarHBondContact O-N 3.34Å; I116-L118 PolarHBondContact O-N 3.43Å; L118-Q120 VanDerWaalsContact C-N 3.32Å; L118-Q120 PolarHBondContact O-N 3.47Å; L118-E121 WeakPolarHBondContact O-CB 3.49Å; L118-E121 PolarHBondContact O-N 2.99Å; L118-I122 HydrophobicContact CD1-CD1 4.1Å; L118-I122 HydrophobicContact CD1-CG1 4.27Å; L118-I122 HydrophobicContact CG-CD1 3.91Å; L118-I122 WeakPolarHBondContact O-CD1 3.37Å; L118-I122 VanDerWaalsContact O-CG1 3.24Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 3.4Å; L118-L131 HydrophobicContact CD1-CD1 4.24Å; L118-M134 HydrophobicContact CD1-CB 4.1Å; L118-A135 HydrophobicContact CD1-CB 4.15Å; L118-A135 HydrophobicContact CD2-CB 4.33Å; L118-V138 HydrophobicContact CB-CG1 4.33Å
119M95.9Very high96.1Very high13 Ų1345.5 Ų45.56%0.06424%0.239CC..Hα-helixtrans-62.8-40.9176.3-73.5-175.3175.500111.5L9 V39 L42 V115 I116 E121 I122 C123 L192 L197L9-M119 HydrophobicContact CD2-CE 3.94Å; V39-M119 HydrophobicContact CG2-CE 3.94Å; L42-M119 HydrophobicContact CD2-CE 3.87Å; V115-M119 HydrophobicContact CG1-CE 3.86Å; V115-M119 HydrophobicContact CG1-CG 4.46Å; V115-M119 HydrophobicContact CG1-SD 4.12Å; V115-M119 WeakPolarHBondContact O-CB 3.3Å; V115-M119 WeakPolarHBondContact O-CG 3.36Å; V115-M119 PolarHBondContact O-N 3.24Å; I116-M119 PolarHBondContact O-N 2.91Å; M119-E121 VanDerWaalsContact C-N 3.33Å; M119-E121 PolarHBondContact O-N 3.35Å; M119-I122 PolarHBondContact O-N 3.06Å; M119-C123 PolarHBondContact O-N 2.9Å; M119-C123 VanDerWaalsContact O-N 3.15Å; M119-C123 PolarHBondContact O-SG 3.5Å; M119-L192 HydrophobicContact SD-CD2 4.49Å; M119-L197 HydrophobicContact CB-CD1 4.27Å; M119-L197 HydrophobicContact CB-CD2 3.66Å; M119-L197 HydrophobicContact CG-CD2 4.5Å; M119-L197 HydrophobicContact SD-CD2 4.12Å
120Q96.8Very high96.1Very high72 Ų7250.2 Ų50.234%0.33626%0.261SS..Hα-helixtrans-61.8-42173.9-171.468.346.400111.5I116 D117 L118 C123 R124 L197I116-Q120 WeakPolarHBondContact O-CB 3.4Å; I116-Q120 PolarHBondContact O-N 3.13Å; D117-Q120 PolarHBondContact O-N 3.47Å; L118-Q120 VanDerWaalsContact C-N 3.32Å; L118-Q120 PolarHBondContact O-N 3.47Å; Q120-C123 PolarHBondContact O-N 3.2Å; Q120-R124 WeakPolarHBondContact O-CG 3.34Å; Q120-R124 PolarHBondContact O-N 3.18Å; Q120-R124 VanDerWaalsContact O-N 3.1Å; Q120-L197 HydrophobicContact CB-CD1 4.13Å; Q120-L197 VanDerWaalsContact OE1-CD1 3.27Å
121E96.8Very high96Very high37 Ų3748.8 Ų48.817%0.17326%0.256CS..Hα-helixtrans-61.6-46.7176.7-159.367-158.900111.5D117 L118 M119 C123 R124 A125 M134 V138D117-E121 WeakPolarHBondContact O-CB 3.27Å; D117-E121 PolarHBondContact O-N 3.16Å; L118-E121 WeakPolarHBondContact O-CB 3.49Å; L118-E121 PolarHBondContact O-N 2.99Å; M119-E121 VanDerWaalsContact C-N 3.33Å; M119-E121 PolarHBondContact O-N 3.35Å; E121-C123 PolarHBondContact O-N 2.9Å; E121-R124 PolarHBondContact O-N 3.33Å; E121-R124 VanDerWaalsContact O-N 3.14Å; E121-R124 IonicContact OE1-CZ 3.81Å; E121-R124 IonicContact OE1-NE 3.5Å; E121-R124 IonicContact OE1-NH2 2.74Å; E121-R124 PolarHBondContact OE1-NH2 3.34Å; E121-R124 IonicContact OE2-CZ 2.93Å; E121-R124 IonicContact OE2-NE 3.38Å; E121-R124 PolarHBondContact OE2-NE 2.84Å; E121-R124 IonicContact OE2-NH2 3.35Å; E121-R124 PolarHBondContact OE2-NH2 3.46Å; E121-A125 WeakPolarHBondContact O-CB 3.39Å; E121-A125 PolarHBondContact O-N 3.15Å; E121-M134 HydrophobicContact CB-CB 4.45Å; E121-M134 HydrophobicContact CB-CG 4.48Å; E121-M134 HydrophobicContact CB-SD 4.23Å; E121-M134 HydrophobicContact CG-CB 3.87Å; E121-M134 HydrophobicContact CG-CG 3.59Å; E121-M134 HydrophobicContact CG-SD 3.71Å; E121-V138 HydrophobicContact CB-CG2 4.36Å
122I96.1Very high95.9Very high16 Ų1651.6 Ų51.68%0.08226%0.264CS..Hα-helixtrans-59-33.1178-69.6160.9000111.6L118 M119 L131 M134 R165 L168 V169L118-I122 HydrophobicContact CD1-CD1 4.1Å; L118-I122 HydrophobicContact CD1-CG1 4.27Å; L118-I122 HydrophobicContact CG-CD1 3.91Å; L118-I122 WeakPolarHBondContact O-CD1 3.37Å; L118-I122 VanDerWaalsContact O-CG1 3.24Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 PolarHBondContact O-N 3.4Å; M119-I122 PolarHBondContact O-N 3.06Å; I122-L131 HydrophobicContact CD1-CD1 3.7Å; I122-L131 HydrophobicContact CG1-CD1 3.85Å; I122-M134 HydrophobicContact CG1-CE 4.41Å; I122-M134 HydrophobicContact CG1-SD 4.35Å; I122-R165 HydrophobicContact CG2-CG 4.43Å; I122-R165 VanDerWaalsContact O-CZ 3.23Å; I122-R165 PolarHBondContact O-NE 3.05Å; I122-R165 PolarHBondContact O-NH2 3.36Å; I122-L168 HydrophobicContact CD1-CD2 3.67Å; I122-V169 HydrophobicContact CG2-CG2 3.96Å
123C95.4Very high95.8Very high29 Ų2954.7 Ų54.720%0.19628%0.283CS..Hα-helixtrans-78.3-34.9178.1-61.20000112.5M119 Q120 E121 T193M119-C123 PolarHBondContact O-N 2.9Å; M119-C123 VanDerWaalsContact O-N 3.15Å; M119-C123 PolarHBondContact O-SG 3.5Å; Q120-C123 PolarHBondContact O-N 3.2Å; E121-C123 PolarHBondContact O-N 2.9Å; C123-T193 HydrophobicContact CB-CG2 3.66Å
124R95.1Very high95.8Very high157 Ų15753.2 Ų53.259%0.59228%0.276SS*.Hα-helixtrans-98.3-24.2-170.379.7-169.6-17388.42.3115.3Q120 E121Q120-R124 WeakPolarHBondContact O-CG 3.34Å; Q120-R124 PolarHBondContact O-N 3.18Å; Q120-R124 VanDerWaalsContact O-N 3.1Å; E121-R124 PolarHBondContact O-N 3.33Å; E121-R124 VanDerWaalsContact O-N 3.14Å; E121-R124 IonicContact OE1-CZ 3.81Å; E121-R124 IonicContact OE1-NE 3.5Å; E121-R124 IonicContact OE1-NH2 2.74Å; E121-R124 PolarHBondContact OE1-NH2 3.34Å; E121-R124 IonicContact OE2-CZ 2.93Å; E121-R124 IonicContact OE2-NE 3.38Å; E121-R124 PolarHBondContact OE2-NE 2.84Å; E121-R124 IonicContact OE2-NH2 3.35Å; E121-R124 PolarHBondContact OE2-NH2 3.46Å
125A95.1Very high95.8Very high8 Ų851.6 Ų51.67%0.06627%0.269CS..SBendtrans-68.2150.1-170.900000111.9E121 E129 M134 R165E121-A125 WeakPolarHBondContact O-CB 3.39Å; E121-A125 PolarHBondContact O-N 3.15Å; A125-E129 HydrophobicContact CB-CB 3.95Å; A125-E129 HydrophobicContact CB-CG 4.09Å; A125-M134 HydrophobicContact CB-SD 3.61Å; A125-R165 PolarHBondContact O-NH1 3.3Å; A125-R165 PolarHBondContact O-NH2 3.2Å
126P94.1Very high95.7Very high77 Ų7754.1 Ų54.150%0.528%0.275SS..  trans-51.2146.7173.2-27.236.1000112.4D128 E129 R165P126-D128 VanDerWaalsContact CB-OD1 3.23Å; P126-D128 WeakPolarHBondContact CB-OD1 3.22Å; P126-D128 PolarHBondContact O-N 3.32Å; P126-E129 WeakPolarHBondContact O-CB 3.38Å; P126-E129 PolarHBondContact O-N 3.44Å; P126-R165 PolarHBondContact O-NH1 3.28Å
127P90Very high95.7Very high127 Ų12756.3 Ų56.383%0.82529%0.291SS*.THydrogen-bonded Turntrans-54.8-29.6-173.6-28.335.9000115.4
128D93.1Very high95.7Very high134 Ų13454.4 Ų54.472%0.71728%0.281SS*.THydrogen-bonded Turntrans-82.1-11-17960.1-47.8000114.4P126 Q130P126-D128 VanDerWaalsContact CB-OD1 3.23Å; P126-D128 WeakPolarHBondContact CB-OD1 3.22Å; P126-D128 PolarHBondContact O-N 3.32Å; D128-Q130 PolarHBondContact O-N 3.04Å
129E95.9Very high95.7Very high65 Ų6553.8 Ų53.830%0.30428%0.277SS..  trans-69.4127.8179.9-172.462.6-153.600111.6A125 P126 T133 M134A125-E129 HydrophobicContact CB-CB 3.95Å; A125-E129 HydrophobicContact CB-CG 4.09Å; P126-E129 WeakPolarHBondContact O-CB 3.38Å; P126-E129 PolarHBondContact O-N 3.44Å; E129-T133 WeakPolarHBondContact OE1-CB 3.42Å; E129-T133 WeakPolarHBondContact OE1-CG2 3.4Å; E129-M134 HydrophobicContact CG-CE 4.34Å; E129-M134 HydrophobicContact CG-CG 3.64Å; E129-M134 HydrophobicContact CG-SD 4.12Å; E129-M134 WeakPolarHBondContact O-CE 3.42Å
130Q96.4Very high95.8Very high99 Ų9956.6 Ų56.646%0.46329%0.293SS..  trans-84138.7-174.9-61.6-175.24.800112.2D128 K132 T133 M134D128-Q130 PolarHBondContact O-N 3.04Å; Q130-K132 HydrophobicContact CB-CG 4.21Å; Q130-K132 PolarHBondContact O-N 3.07Å; Q130-K132 VanDerWaalsContact O-N 3.16Å; Q130-T133 WeakPolarHBondContact O-CB 3.39Å; Q130-T133 PolarHBondContact O-N 3.05Å; Q130-M134 PolarHBondContact O-N 3.34Å; Q130-M134 VanDerWaalsContact O-N 3.12Å
131L95.9Very high95.8Very high3 Ų359.9 Ų59.92%0.01631%0.306CS..Hα-helixtrans-53.9-39.1179-179.761000112.9L118 I122 T133 M134 A135 L162 P163 R165 L168L118-L131 HydrophobicContact CD1-CD1 4.24Å; I122-L131 HydrophobicContact CD1-CD1 3.7Å; I122-L131 HydrophobicContact CG1-CD1 3.85Å; L131-T133 VanDerWaalsContact C-N 3.31Å; L131-T133 PolarHBondContact O-N 3.42Å; L131-M134 HydrophobicContact CB-CE 4.42Å; L131-M134 HydrophobicContact CD1-CE 4.5Å; L131-M134 PolarHBondContact O-N 2.9Å; L131-A135 VanDerWaalsContact O-CB 3.23Å; L131-A135 WeakPolarHBondContact O-CB 3.31Å; L131-A135 PolarHBondContact O-N 2.98Å; L131-L162 HydrophobicContact CD2-CB 4.09Å; L131-L162 HydrophobicContact CG-CB 4.36Å; L131-L162 HydrophobicContact CG-CD1 4.26Å; L131-P163 HydrophobicContact CD2-CG 4.23Å; L131-P163 WeakPolarHBondContact CD2-O 3.33Å; L131-R165 HydrophobicContact CB-CB 4.33Å; L131-L168 HydrophobicContact CD1-CD2 3.9Å; L131-L168 HydrophobicContact CD2-CB 4.16Å; L131-L168 HydrophobicContact CD2-CD2 3.55Å; L131-L168 HydrophobicContact CD2-CG 4.46Å; L131-L168 HydrophobicContact CG-CD2 4.4Å
132K95.5Very high95.8Very high80 Ų8058.3 Ų58.335%0.34830%0.299SS..Hα-helixtrans-61.3-37.6177.475.7-169.4-166.1-151.40112.9Q130 R136 V159 Y160Q130-K132 HydrophobicContact CB-CG 4.21Å; Q130-K132 PolarHBondContact O-N 3.07Å; Q130-K132 VanDerWaalsContact O-N 3.16Å; K132-R136 WeakPolarHBondContact O-CB 3.17Å; K132-R136 PolarHBondContact O-N 2.93Å; K132-V159 HydrophobicContact CB-CB 4.48Å; K132-V159 VanDerWaalsContact CB-O 3.25Å; K132-V159 WeakPolarHBondContact CB-O 3.48Å; K132-Y160 HydrophobicContact CD-CD1 4.44Å
133T96.6Very high95.9Very high65 Ų6558.3 Ų58.340%0.39930%0.299SS..Hα-helixtrans-72.8-44.9-179.8-520000110.1E129 Q130 L131 R136 S137E129-T133 WeakPolarHBondContact OE1-CB 3.42Å; E129-T133 WeakPolarHBondContact OE1-CG2 3.4Å; Q130-T133 WeakPolarHBondContact O-CB 3.39Å; Q130-T133 PolarHBondContact O-N 3.05Å; L131-T133 VanDerWaalsContact C-N 3.31Å; L131-T133 PolarHBondContact O-N 3.42Å; T133-R136 PolarHBondContact O-N 2.84Å; T133-S137 WeakPolarHBondContact O-CB 3.36Å; T133-S137 PolarHBondContact O-N 3.35Å
134M97.2Very high95.9Very high3 Ų357.4 Ų57.42%0.01529%0.294CS..Hα-helixtrans-58.1-53.6173-68.2-176.1-85.800111.6L118 E121 I122 A125 E129 Q130 L131 R136 S137 V138 R165L118-M134 HydrophobicContact CD1-CB 4.1Å; E121-M134 HydrophobicContact CB-CB 4.45Å; E121-M134 HydrophobicContact CB-CG 4.48Å; E121-M134 HydrophobicContact CB-SD 4.23Å; E121-M134 HydrophobicContact CG-CB 3.87Å; E121-M134 HydrophobicContact CG-CG 3.59Å; E121-M134 HydrophobicContact CG-SD 3.71Å; I122-M134 HydrophobicContact CG1-CE 4.41Å; I122-M134 HydrophobicContact CG1-SD 4.35Å; A125-M134 HydrophobicContact CB-SD 3.61Å; E129-M134 HydrophobicContact CG-CE 4.34Å; E129-M134 HydrophobicContact CG-CG 3.64Å; E129-M134 HydrophobicContact CG-SD 4.12Å; E129-M134 WeakPolarHBondContact O-CE 3.42Å; Q130-M134 PolarHBondContact O-N 3.34Å; Q130-M134 VanDerWaalsContact O-N 3.12Å; L131-M134 HydrophobicContact CB-CE 4.42Å; L131-M134 HydrophobicContact CD1-CE 4.5Å; L131-M134 PolarHBondContact O-N 2.9Å; M134-R136 VanDerWaalsContact C-N 3.29Å; M134-R136 PolarHBondContact O-N 2.96Å; M134-S137 PolarHBondContact O-N 3.37Å; M134-V138 WeakPolarHBondContact O-CG2 3.44Å; M134-V138 PolarHBondContact O-N 3.37Å; M134-R165 HydrophobicContact CE-CB 4.32Å; M134-R165 HydrophobicContact CE-CG 4.08Å
135A96.2Very high96Very high3 Ų356.2 Ų56.23%0.02530%0.295CS..Hα-helixtrans-58.4-42179.600000111.6L118 L131 Y139 V159 L162L118-A135 HydrophobicContact CD1-CB 4.15Å; L118-A135 HydrophobicContact CD2-CB 4.33Å; L131-A135 VanDerWaalsContact O-CB 3.23Å; L131-A135 WeakPolarHBondContact O-CB 3.31Å; L131-A135 PolarHBondContact O-N 2.98Å; A135-Y139 WeakPolarHBondContact O-CB 3.46Å; A135-Y139 PolarHBondContact O-N 2.98Å; A135-V159 HydrophobicContact CB-CG1 4.21Å; A135-L162 HydrophobicContact CB-CD1 3.5Å
136R96.2Very high96Very high82 Ų8260.6 Ų60.631%0.30931%0.31SS..Hα-helixtrans-64-47.7176.1-178.864.9-164.5-165.69.2112.1K132 T133 M134 V138 Y139 D140 G156K132-R136 WeakPolarHBondContact O-CB 3.17Å; K132-R136 PolarHBondContact O-N 2.93Å; T133-R136 PolarHBondContact O-N 2.84Å; M134-R136 VanDerWaalsContact C-N 3.29Å; M134-R136 PolarHBondContact O-N 2.96Å; R136-V138 PolarHBondContact O-N 2.88Å; R136-Y139 PolarHBondContact O-N 3.18Å; R136-D140 IonicContact CZ-OD1 3.82Å; R136-D140 IonicContact CZ-OD2 3.33Å; R136-D140 IonicContact NE-OD1 3.94Å; R136-D140 PolarHBondContact NE-OD1 3.22Å; R136-D140 IonicContact NE-OD2 2.68Å; R136-D140 PolarHBondContact NE-OD2 2.92Å; R136-D140 IonicContact NH2-OD1 2.93Å; R136-D140 PolarHBondContact NH2-OD1 3.37Å; R136-D140 IonicContact NH2-OD2 2.63Å; R136-D140 PolarHBondContact NH2-OD2 3.4Å; R136-D140 PolarHBondContact O-N 3.43Å; R136-G156 VanDerWaalsContact NH1-CA 3.29Å
137S97.2Very high96Very high49 Ų4959.6 Ų59.634%0.34330%0.299SS..Hα-helixtrans-60.6-46.4-180-170.40000111.8T133 M134 D140 K141T133-S137 WeakPolarHBondContact O-CB 3.36Å; T133-S137 PolarHBondContact O-N 3.35Å; M134-S137 PolarHBondContact O-N 3.37Å; S137-D140 PolarHBondContact O-N 3.11Å; S137-K141 WeakPolarHBondContact O-CG 3.42Å; S137-K141 PolarHBondContact O-N 2.72Å; S137-K141 PolarHBondContact OG-NZ 3.1Å
138V97.6Very high96.3Very high5 Ų557.2 Ų57.23%0.0328%0.283CS..Hα-helixtrans-67.3-40.6178.8177.90000110.9F114 D117 L118 E121 M134 R136 D140 K141 T142F114-V138 HydrophobicContact CD2-CB 4.26Å; F114-V138 HydrophobicContact CD2-CG1 3.69Å; F114-V138 HydrophobicContact CE2-CB 4.22Å; F114-V138 HydrophobicContact CE2-CG1 4.1Å; F114-V138 HydrophobicContact CG-CG1 4.44Å; D117-V138 HydrophobicContact CB-CG1 3.51Å; D117-V138 HydrophobicContact CB-CG2 4.46Å; L118-V138 HydrophobicContact CB-CG1 4.33Å; E121-V138 HydrophobicContact CB-CG2 4.36Å; M134-V138 WeakPolarHBondContact O-CG2 3.44Å; M134-V138 PolarHBondContact O-N 3.37Å; R136-V138 PolarHBondContact O-N 2.88Å; V138-D140 PolarHBondContact O-N 3.24Å; V138-K141 PolarHBondContact O-N 3.17Å; V138-T142 HydrophobicContact CG1-CG2 4.25Å; V138-T142 WeakPolarHBondContact O-CB 3.27Å; V138-T142 WeakPolarHBondContact O-CG2 3.43Å; V138-T142 PolarHBondContact O-N 3.09Å; V138-T142 PolarHBondContact O-OG1 3.12Å
139Y97.2Very high96.4Very high5 Ų558.7 Ų58.72%0.0228%0.279CS..Hα-helixtrans-58.5-46.9175.2173.3-98.7000112.1A135 R136 K141 T142 L143 A144 H147 R152 V155A135-Y139 WeakPolarHBondContact O-CB 3.46Å; A135-Y139 PolarHBondContact O-N 2.98Å; R136-Y139 PolarHBondContact O-N 3.18Å; Y139-K141 VanDerWaalsContact C-N 3.26Å; Y139-K141 PolarHBondContact O-N 3.26Å; Y139-T142 PolarHBondContact O-N 3.41Å; Y139-L143 HydrophobicContact CD2-CB 3.7Å; Y139-L143 HydrophobicContact CD2-CD1 4.21Å; Y139-L143 HydrophobicContact CE2-CB 3.64Å; Y139-L143 HydrophobicContact CE2-CD1 4.44Å; Y139-L143 PolarHBondContact O-N 2.94Å; Y139-A144 HydrophobicContact CD1-CB 4.02Å; Y139-A144 HydrophobicContact CE1-CB 3.64Å; Y139-A144 PolarHBondContact O-N 3.08Å; Y139-H147 AromaticContact CE2-ND1 3.49Å; Y139-H147 WeakPolarHBondContact CE2-ND1 3.35Å; Y139-H147 AromaticContact CZ-ND1 3.66Å; Y139-H147 PolarHBondContact OH-ND1 3.46Å; Y139-R152 HydrophobicContact CE1-CG 4.48Å; Y139-R152 WeakPolarHBondContact OH-CA 3Å; Y139-V155 HydrophobicContact CD1-CG1 3.9Å; Y139-V155 HydrophobicContact CD2-CG1 3.7Å; Y139-V155 HydrophobicContact CD2-CG2 4.49Å; Y139-V155 HydrophobicContact CE1-CB 4.16Å; Y139-V155 HydrophobicContact CE1-CG1 3.94Å; Y139-V155 HydrophobicContact CE2-CB 4.07Å; Y139-V155 HydrophobicContact CE2-CG1 3.75Å; Y139-V155 HydrophobicContact CE2-CG2 3.79Å; Y139-V155 HydrophobicContact CG-CG1 3.77Å
140D97.3Very high96.4Very high73 Ų7359.4 Ų59.439%0.3929%0.289SS..Hα-helixtrans-64-32.3-178.8-74.4-26.8000111.8R136 S137 V138R136-D140 IonicContact CZ-OD1 3.82Å; R136-D140 IonicContact CZ-OD2 3.33Å; R136-D140 IonicContact NE-OD1 3.94Å; R136-D140 PolarHBondContact NE-OD1 3.22Å; R136-D140 IonicContact NE-OD2 2.68Å; R136-D140 PolarHBondContact NE-OD2 2.92Å; R136-D140 IonicContact NH2-OD1 2.93Å; R136-D140 PolarHBondContact NH2-OD1 3.37Å; R136-D140 IonicContact NH2-OD2 2.63Å; R136-D140 PolarHBondContact NH2-OD2 3.4Å; R136-D140 PolarHBondContact O-N 3.43Å; S137-D140 PolarHBondContact O-N 3.11Å; V138-D140 PolarHBondContact O-N 3.24Å
141K97.3Very high96.2Very high140 Ų14057.9 Ų57.961%0.60928%0.284SS*.Hα-helixtrans-80-26.1177.5-68170.2-172170.90114.5S137 V138 Y139S137-K141 WeakPolarHBondContact O-CG 3.42Å; S137-K141 PolarHBondContact O-N 2.72Å; S137-K141 PolarHBondContact OG-NZ 3.1Å; V138-K141 PolarHBondContact O-N 3.17Å; Y139-K141 VanDerWaalsContact C-N 3.26Å; Y139-K141 PolarHBondContact O-N 3.26Å
142T97Very high96.2Very high4 Ų462.2 Ų62.23%0.02530%0.3CS..Hα-helixtrans-112-65.7-169.957.30000112.3L113 V138 Y139 Q145 Y146L113-T142 HydrophobicContact CD2-CG2 3.92Å; L113-T142 HydrophobicContact CG-CG2 3.78Å; V138-T142 HydrophobicContact CG1-CG2 4.25Å; V138-T142 WeakPolarHBondContact O-CB 3.27Å; V138-T142 WeakPolarHBondContact O-CG2 3.43Å; V138-T142 PolarHBondContact O-N 3.09Å; V138-T142 PolarHBondContact O-OG1 3.12Å; Y139-T142 PolarHBondContact O-N 3.41Å; T142-Q145 PolarHBondContact O-NE2 3.35Å; T142-Y146 VanDerWaalsContact O-CE2 3.3Å; T142-Y146 WeakPolarHBondContact O-CE2 3.43Å
143L96.6Very high96.1Very high17 Ų1764.1 Ų64.19%0.08931%0.308CS..THydrogen-bonded Turntrans-92.6-29.7-168.3-76.7172.9000114.2R110 A111 F114 Y139 Q145 Y146 H147R110-L143 HydrophobicContact CB-CD2 3.96Å; A111-L143 HydrophobicContact CB-CD2 4.37Å; F114-L143 HydrophobicContact CB-CD1 3.61Å; F114-L143 HydrophobicContact CB-CG 3.96Å; F114-L143 HydrophobicContact CD1-CD1 4.26Å; F114-L143 HydrophobicContact CD2-CD1 4.21Å; F114-L143 HydrophobicContact CG-CD1 3.77Å; Y139-L143 HydrophobicContact CD2-CB 3.7Å; Y139-L143 HydrophobicContact CD2-CD1 4.21Å; Y139-L143 HydrophobicContact CE2-CB 3.64Å; Y139-L143 HydrophobicContact CE2-CD1 4.44Å; Y139-L143 PolarHBondContact O-N 2.94Å; L143-Q145 PolarHBondContact O-N 3.44Å; L143-Q145 VanDerWaalsContact O-N 3.1Å; L143-Y146 PolarHBondContact O-N 3.13Å; L143-H147 PolarHBondContact O-N 3.12Å
144A96.8Very high95.8Very high10 Ų1063 Ų638%0.08331%0.306CS..G310 helixtrans-57.3-33.7-170.700000113.5Y139 Y146 H147 R152Y139-A144 HydrophobicContact CD1-CB 4.02Å; Y139-A144 HydrophobicContact CE1-CB 3.64Å; Y139-A144 PolarHBondContact O-N 3.08Å; A144-Y146 PolarHBondContact O-N 3.37Å; A144-H147 PolarHBondContact O-N 2.97Å; A144-R152 WeakPolarHBondContact O-CD 3.25Å
145Q96.4Very high95.5Very high131 Ų13163.8 Ų63.861%0.61231%0.311SS*.G310 helixtrans-63-23.8177.164.3-174.9-38.400114T142 L143T142-Q145 PolarHBondContact O-NE2 3.35Å; L143-Q145 PolarHBondContact O-N 3.44Å; L143-Q145 VanDerWaalsContact O-N 3.1Å
146Y95.6Very high95.3Very high100 Ų10064.4 Ų64.439%0.39232%0.317SS..G310 helixtrans-99.6-9.1-178.4-52.4-63.2000113.4R110 T142 L143 A144R110-Y146 HydrophobicContact CB-CD2 4.3Å; R110-Y146 HydrophobicContact CB-CE2 4.31Å; R110-Y146 HydrophobicContact CG-CD2 4.02Å; R110-Y146 HydrophobicContact CG-CE2 3.77Å; R110-Y146 VanDerWaalsContact CZ-CE1 3.45Å; T142-Y146 VanDerWaalsContact O-CE2 3.3Å; T142-Y146 WeakPolarHBondContact O-CE2 3.43Å; L143-Y146 PolarHBondContact O-N 3.13Å; A144-Y146 PolarHBondContact O-N 3.37Å
147H94.6Very high95Very high56 Ų5665.3 Ų65.326%0.25933%0.331SS..SBendtrans-102.1134.1-176.3-73.8168.6000111.6Y139 L143 A144 I151 R152Y139-H147 AromaticContact CE2-ND1 3.49Å; Y139-H147 WeakPolarHBondContact CE2-ND1 3.35Å; Y139-H147 AromaticContact CZ-ND1 3.66Å; Y139-H147 PolarHBondContact OH-ND1 3.46Å; L143-H147 PolarHBondContact O-N 3.12Å; A144-H147 PolarHBondContact O-N 2.97Å; H147-I151 HydrophobicContact CB-CB 4.04Å; H147-I151 HydrophobicContact CB-CG2 3.82Å; H147-R152 HydrophobicContact CB-CG 4Å; H147-R152 PolarHBondContact O-NH1 2.87Å
148P95.2Very high94.7Very high78 Ų7863.3 Ų63.351%0.50632%0.318SS..  trans-67162.1173.930.5-35.4000110.9P150 I151 R152P148-P150 VanDerWaalsContact C-CD 3.43Å; P148-P150 VanDerWaalsContact C-N 3.35Å; P148-I151 HydrophobicContact CG-CB 4.35Å; P148-I151 HydrophobicContact CG-CG1 3.82Å; P148-I151 PolarHBondContact O-N 3.34Å; P148-R152 PolarHBondContact O-N 3.18Å; P148-R152 VanDerWaalsContact O-N 3.12Å
149W95.7Very high94.5Very high165 Ų16563.5 Ų63.563%0.62532%0.319SS*.Hα-helixtrans-49.6-43.4-174.5179.195.5000114.7I151 R152 K153W149-I151 PolarHBondContact O-N 3.45Å; W149-R152 PolarHBondContact O-N 3.42Å; W149-K153 HydrophobicContact CD2-CG 4.12Å; W149-K153 HydrophobicContact CE3-CG 4.41Å; W149-K153 HydrophobicContact CH2-CG 4.23Å; W149-K153 HydrophobicContact CZ2-CD 4.29Å; W149-K153 HydrophobicContact CZ2-CG 3.93Å; W149-K153 HydrophobicContact CZ3-CG 4.45Å; W149-K153 WeakPolarHBondContact O-CG 3.5Å; W149-K153 PolarHBondContact O-N 3.43Å; W149-K153 VanDerWaalsContact O-N 3.07Å
150P95.1Very high94.2Very high80 Ų8071.5 Ų71.552%0.51935%0.35SS..Hα-helixtrans-61.4-41.1178.3-23.134.1000113.3P148 K153 A154P148-P150 VanDerWaalsContact C-CD 3.43Å; P148-P150 VanDerWaalsContact C-N 3.35Å; P150-K153 WeakPolarHBondContact O-CB 3.36Å; P150-K153 PolarHBondContact O-N 3.37Å; P150-A154 PolarHBondContact O-N 3.5Å
151I93.1Very high93.9Very high67 Ų6769.8 Ų69.834%0.34435%0.347SS..Hα-helixtrans-67.4-41.1179-59.5-61000110.3H147 P148 W149 K153 A154 V155H147-I151 HydrophobicContact CB-CB 4.04Å; H147-I151 HydrophobicContact CB-CG2 3.82Å; P148-I151 HydrophobicContact CG-CB 4.35Å; P148-I151 HydrophobicContact CG-CG1 3.82Å; P148-I151 PolarHBondContact O-N 3.34Å; W149-I151 PolarHBondContact O-N 3.45Å; I151-K153 PolarHBondContact O-N 2.85Å; I151-A154 PolarHBondContact O-N 2.56Å; I151-V155 WeakPolarHBondContact O-CG2 3.4Å; I151-V155 PolarHBondContact O-N 3.43Å
152R95.1Very high93.7Very high94 Ų9464.2 Ų64.236%0.35532%0.323SS..Hα-helixtrans-60.1-34.4174.3-61.8-165.9-65.6-105.310.3112.8Y139 A144 H147 P148 W149 G156Y139-R152 HydrophobicContact CE1-CG 4.48Å; Y139-R152 WeakPolarHBondContact OH-CA 3Å; A144-R152 WeakPolarHBondContact O-CD 3.25Å; H147-R152 HydrophobicContact CB-CG 4Å; H147-R152 PolarHBondContact O-NH1 2.87Å; P148-R152 PolarHBondContact O-N 3.18Å; P148-R152 VanDerWaalsContact O-N 3.12Å; W149-R152 PolarHBondContact O-N 3.42Å; R152-G156 PolarHBondContact O-N 2.86Å; R152-G156 VanDerWaalsContact O-N 3.1Å
153K93.7Very high93.5Very high119 Ų11965.6 Ų65.652%0.51733%0.332SS..Hα-helixtrans-71.1-44.9174.6-70.7-67.2-176.5179.10111.7W149 P150 I151 V155 G156 V157W149-K153 HydrophobicContact CD2-CG 4.12Å; W149-K153 HydrophobicContact CE3-CG 4.41Å; W149-K153 HydrophobicContact CH2-CG 4.23Å; W149-K153 HydrophobicContact CZ2-CD 4.29Å; W149-K153 HydrophobicContact CZ2-CG 3.93Å; W149-K153 HydrophobicContact CZ3-CG 4.45Å; W149-K153 WeakPolarHBondContact O-CG 3.5Å; W149-K153 PolarHBondContact O-N 3.43Å; W149-K153 VanDerWaalsContact O-N 3.07Å; P150-K153 WeakPolarHBondContact O-CB 3.36Å; P150-K153 PolarHBondContact O-N 3.37Å; I151-K153 PolarHBondContact O-N 2.85Å; K153-V155 PolarHBondContact O-N 3Å; K153-G156 WeakPolarHBondContact O-CA 3.43Å; K153-G156 PolarHBondContact O-N 3.26Å; K153-G156 VanDerWaalsContact O-N 3.09Å; K153-V157 PolarHBondContact O-N 3.09Å; K153-V157 VanDerWaalsContact O-N 3.08Å
154A91.8Very high93.4Very high43 Ų4368.2 Ų68.236%0.35535%0.349SS..Hα-helixtrans-57.8-46.2175.600000112P150 I151 G156 V157 A158P150-A154 PolarHBondContact O-N 3.5Å; I151-A154 PolarHBondContact O-N 2.56Å; A154-G156 VanDerWaalsContact C-N 3.31Å; A154-G156 PolarHBondContact O-N 3.4Å; A154-V157 PolarHBondContact O-N 3.27Å; A154-V157 VanDerWaalsContact O-N 3.12Å; A154-A158 PolarHBondContact O-N 3.16Å
155V90.8Very high93.3Very high19 Ų1969.9 Ų69.912%0.11535%0.353CS..Hα-helixtrans-61.6-40.2174.51750000111.5F52 Y139 I151 K153 V157 A158 V159F52-V155 HydrophobicContact CZ-CG2 4.44Å; Y139-V155 HydrophobicContact CD1-CG1 3.9Å; Y139-V155 HydrophobicContact CD2-CG1 3.7Å; Y139-V155 HydrophobicContact CD2-CG2 4.49Å; Y139-V155 HydrophobicContact CE1-CB 4.16Å; Y139-V155 HydrophobicContact CE1-CG1 3.94Å; Y139-V155 HydrophobicContact CE2-CB 4.07Å; Y139-V155 HydrophobicContact CE2-CG1 3.75Å; Y139-V155 HydrophobicContact CE2-CG2 3.79Å; Y139-V155 HydrophobicContact CG-CG1 3.77Å; I151-V155 WeakPolarHBondContact O-CG2 3.4Å; I151-V155 PolarHBondContact O-N 3.43Å; K153-V155 PolarHBondContact O-N 3Å; V155-V157 PolarHBondContact O-N 3.34Å; V155-A158 PolarHBondContact O-N 3.1Å; V155-A158 VanDerWaalsContact O-N 3.17Å; V155-V159 HydrophobicContact CG1-CG1 4.43Å; V155-V159 PolarHBondContact O-N 3Å; V155-V159 VanDerWaalsContact O-N 3.08Å
156G90.3Very high93.2Very high15 Ų1570.8 Ų70.816%0.15536%0.357CS..Hα-helixtrans-59.6-28.9175.200000114.2R136 R152 K153 A154 V159 Y160R136-G156 VanDerWaalsContact NH1-CA 3.29Å; R152-G156 PolarHBondContact O-N 2.86Å; R152-G156 VanDerWaalsContact O-N 3.1Å; K153-G156 WeakPolarHBondContact O-CA 3.43Å; K153-G156 PolarHBondContact O-N 3.26Å; K153-G156 VanDerWaalsContact O-N 3.09Å; A154-G156 VanDerWaalsContact C-N 3.31Å; A154-G156 PolarHBondContact O-N 3.4Å; G156-V159 VanDerWaalsContact O-CG2 3.29Å; G156-V159 WeakPolarHBondContact O-CG2 3.44Å; G156-Y160 WeakPolarHBondContact O-CD2 3.47Å; G156-Y160 VanDerWaalsContact O-CE2 3.3Å; G156-Y160 WeakPolarHBondContact O-CE2 3.17Å
157V91.4Very high93.2Very high102 Ų10271.1 Ų71.162%0.61836%0.362SS*.Hα-helixtrans-81.6-44.5171.91770000110.7K153 A154 V155 V159 Y160K153-V157 PolarHBondContact O-N 3.09Å; K153-V157 VanDerWaalsContact O-N 3.08Å; A154-V157 PolarHBondContact O-N 3.27Å; A154-V157 VanDerWaalsContact O-N 3.12Å; V155-V157 PolarHBondContact O-N 3.34Å; V157-V159 VanDerWaalsContact C-N 3.28Å; V157-V159 PolarHBondContact O-N 2.97Å; V157-Y160 PolarHBondContact O-N 2.76Å; V157-Y160 VanDerWaalsContact O-N 3.09Å
158A90.3Very high93.2Very high6 Ų668.5 Ų68.55%0.0535%0.35CS..Hα-helixtrans-58.8-35.2-176.600000113.4F50 F52 A154 V155 Y160 A161F50-A158 HydrophobicContact CE1-CB 4.4Å; F50-A158 HydrophobicContact CE2-CB 4.36Å; F50-A158 WeakPolarHBondContact CE2-O 3.27Å; F50-A158 HydrophobicContact CZ-CB 4.07Å; F50-A158 WeakPolarHBondContact CZ-O 3.01Å; F52-A158 HydrophobicContact CE1-CB 4.28Å; A154-A158 PolarHBondContact O-N 3.16Å; V155-A158 PolarHBondContact O-N 3.1Å; V155-A158 VanDerWaalsContact O-N 3.17Å; A158-Y160 PolarHBondContact O-N 3.12Å; A158-A161 WeakPolarHBondContact O-CB 3.37Å; A158-A161 PolarHBondContact O-N 3.44Å
159V92.2Very high93.1Very high10 Ų1066.1 Ų66.16%0.06133%0.334CS..G310 helixtrans-61.7-24.6178.3-66.60000113.8K132 A135 V155 G156 V157 A161 L162K132-V159 HydrophobicContact CB-CB 4.48Å; K132-V159 VanDerWaalsContact CB-O 3.25Å; K132-V159 WeakPolarHBondContact CB-O 3.48Å; A135-V159 HydrophobicContact CB-CG1 4.21Å; V155-V159 HydrophobicContact CG1-CG1 4.43Å; V155-V159 PolarHBondContact O-N 3Å; V155-V159 VanDerWaalsContact O-N 3.08Å; G156-V159 VanDerWaalsContact O-CG2 3.29Å; G156-V159 WeakPolarHBondContact O-CG2 3.44Å; V157-V159 VanDerWaalsContact C-N 3.28Å; V157-V159 PolarHBondContact O-N 2.97Å; V159-A161 PolarHBondContact O-N 3.05Å; V159-L162 HydrophobicContact CB-CD1 4.13Å; V159-L162 HydrophobicContact CG1-CD1 4.23Å; V159-L162 WeakPolarHBondContact O-CB 3.37Å; V159-L162 PolarHBondContact O-N 3.4Å
160Y91.9Very high93.1Very high172 Ų17262.8 Ų62.868%0.67533%0.325SS*.G310 helixtrans-74.5-15.6175.7-73.2-87.3000113.2K132 G156 V157 A158K132-Y160 HydrophobicContact CD-CD1 4.44Å; G156-Y160 WeakPolarHBondContact O-CD2 3.47Å; G156-Y160 VanDerWaalsContact O-CE2 3.3Å; G156-Y160 WeakPolarHBondContact O-CE2 3.17Å; V157-Y160 PolarHBondContact O-N 2.76Å; V157-Y160 VanDerWaalsContact O-N 3.09Å; A158-Y160 PolarHBondContact O-N 3.12Å
161A90.7Very high93Very high38 Ų3859.8 Ų59.831%0.31431%0.305SS..G310 helixtrans-92.4-2.8175.900000113.5L49 F50 A158 V159L49-A161 HydrophobicContact CB-CB 3.99Å; L49-A161 HydrophobicContact CD1-CB 3.25Å; L49-A161 HydrophobicContact CG-CB 4.23Å; F50-A161 HydrophobicContact CE2-CB 4.44Å; A158-A161 WeakPolarHBondContact O-CB 3.37Å; A158-A161 PolarHBondContact O-N 3.44Å; V159-A161 PolarHBondContact O-N 3.05Å
162L93Very high93.1Very high22 Ų2257.3 Ų57.312%0.11529%0.292CS..SBendtrans-62.7145174.4-71.1169.6000110F46 F50 L131 A135 V159F46-L162 HydrophobicContact CD1-CD2 3.74Å; F46-L162 HydrophobicContact CD2-CD2 3.96Å; F46-L162 HydrophobicContact CE1-CD2 3.78Å; F46-L162 HydrophobicContact CE2-CD2 4.01Å; F46-L162 HydrophobicContact CG-CD2 3.84Å; F46-L162 HydrophobicContact CZ-CD2 3.92Å; F50-L162 HydrophobicContact CE1-CD2 4.04Å; F50-L162 HydrophobicContact CE2-CD2 3.83Å; F50-L162 HydrophobicContact CE2-CG 4.22Å; F50-L162 HydrophobicContact CZ-CD1 4.5Å; F50-L162 HydrophobicContact CZ-CD2 3.34Å; F50-L162 HydrophobicContact CZ-CG 3.72Å; L131-L162 HydrophobicContact CD2-CB 4.09Å; L131-L162 HydrophobicContact CG-CB 4.36Å; L131-L162 HydrophobicContact CG-CD1 4.26Å; A135-L162 HydrophobicContact CB-CD1 3.5Å; V159-L162 HydrophobicContact CB-CD1 4.13Å; V159-L162 HydrophobicContact CG1-CD1 4.23Å; V159-L162 WeakPolarHBondContact O-CB 3.37Å; V159-L162 PolarHBondContact O-N 3.4Å
163P92.8Very high93.1Very high33 Ų3353.9 Ų53.921%0.21428%0.281CS..PPolyproline II helixtrans-62.9171.8170.928.6-34.4000110.7Y45 F46 L131 H167 L168Y45-P163 HydrophobicContact CE1-CG 3.76Å; F46-P163 HydrophobicContact CD1-CG 4.13Å; F46-P163 HydrophobicContact CE1-CG 4.13Å; L131-P163 HydrophobicContact CD2-CG 4.23Å; L131-P163 WeakPolarHBondContact CD2-O 3.33Å; P163-H167 HydrophobicContact CB-CB 4.08Å; P163-L168 HydrophobicContact CG-CB 4.31Å
164T94.7Very high93.2Very high73 Ų7354.5 Ų54.545%0.44829%0.286SS..PPolyproline II helixtrans-63.5156.8166.864.20000109.8E166 H167 L168T164-E166 PolarHBondContact O-N 3.46Å; T164-H167 PolarHBondContact O-N 3.36Å; T164-H167 PolarHBondContact OG1-N 2.82Å; T164-H167 PolarHBondContact OG1-ND1 3.4Å; T164-L168 PolarHBondContact O-N 3.24Å; T164-L168 VanDerWaalsContact O-N 3.1Å
165R95.4Very high93.2Very high44 Ų4453.4 Ų53.417%0.16628%0.276CS..Hα-helixtrans-54.8-44.2173.5-177.8-166.5-177.9175.8-6.2110.8I122 A125 P126 L131 M134 L168 V169I122-R165 HydrophobicContact CG2-CG 4.43Å; I122-R165 VanDerWaalsContact O-CZ 3.23Å; I122-R165 PolarHBondContact O-NE 3.05Å; I122-R165 PolarHBondContact O-NH2 3.36Å; A125-R165 PolarHBondContact O-NH1 3.3Å; A125-R165 PolarHBondContact O-NH2 3.2Å; P126-R165 PolarHBondContact O-NH1 3.28Å; L131-R165 HydrophobicContact CB-CB 4.33Å; M134-R165 HydrophobicContact CE-CB 4.32Å; M134-R165 HydrophobicContact CE-CG 4.08Å; R165-L168 PolarHBondContact O-N 2.68Å; R165-V169 HydrophobicContact CG-CG2 4.27Å; R165-V169 VanDerWaalsContact O-CG2 3.31Å; R165-V169 WeakPolarHBondContact O-CG2 3.37Å; R165-V169 PolarHBondContact O-N 3.26Å
166E94.5Very high93.5Very high150 Ų15053.1 Ų53.170%0.70127%0.273SS*.Hα-helixtrans-57.6-49.2178.5-175.4-178.8-176.800112.4T164 L168 V169 H170T164-E166 PolarHBondContact O-N 3.46Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 3.42Å; E166-V169 PolarHBondContact O-N 3.01Å; E166-H170 WeakPolarHBondContact O-CB 3.34Å; E166-H170 PolarHBondContact O-N 3.46Å
167H94.4Very high93.6Very high108 Ų10853.8 Ų53.850%0.528%0.275SS..Hα-helixtrans-62.9-39.6178.2-74.3131.7000112.5Y45 P163 T164 H171Y45-H167 PolarHBondContact OH-O 3.14Å; P163-H167 HydrophobicContact CB-CB 4.08Å; T164-H167 PolarHBondContact O-N 3.36Å; T164-H167 PolarHBondContact OG1-N 2.82Å; T164-H167 PolarHBondContact OG1-ND1 3.4Å; H167-H171 VanDerWaalsContact O-CB 3.32Å; H167-H171 WeakPolarHBondContact O-CB 3.38Å; H167-H171 PolarHBondContact O-N 3.02Å
168L94.4Very high93.6Very high1 Ų154 Ų541%0.00528%0.278CS..Hα-helixtrans-62.7-49.1175.3174.862.1000111.7L42 Y45 F46 I122 L131 P163 T164 R165 E166 H170 H171 I172L42-L168 HydrophobicContact CD1-CD1 3.72Å; L42-L168 HydrophobicContact CD2-CD1 4.46Å; L42-L168 HydrophobicContact CG-CD1 4.42Å; Y45-L168 HydrophobicContact CD1-CD1 3.98Å; Y45-L168 HydrophobicContact CE1-CD1 3.83Å; F46-L168 HydrophobicContact CE1-CD1 4.02Å; F46-L168 HydrophobicContact CZ-CD1 4.4Å; I122-L168 HydrophobicContact CD1-CD2 3.67Å; L131-L168 HydrophobicContact CD1-CD2 3.9Å; L131-L168 HydrophobicContact CD2-CB 4.16Å; L131-L168 HydrophobicContact CD2-CD2 3.55Å; L131-L168 HydrophobicContact CD2-CG 4.46Å; L131-L168 HydrophobicContact CG-CD2 4.4Å; P163-L168 HydrophobicContact CG-CB 4.31Å; T164-L168 PolarHBondContact O-N 3.24Å; T164-L168 VanDerWaalsContact O-N 3.1Å; R165-L168 PolarHBondContact O-N 2.68Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 3.42Å; L168-H170 VanDerWaalsContact C-N 3.35Å; L168-H171 PolarHBondContact O-N 3.4Å; L168-I172 HydrophobicContact CD1-CD1 4.18Å; L168-I172 HydrophobicContact CD1-CG1 4.47Å; L168-I172 HydrophobicContact CG-CD1 4.19Å; L168-I172 WeakPolarHBondContact O-CG1 3.42Å; L168-I172 PolarHBondContact O-N 2.93Å
169V94.5Very high93.7Very high28 Ų2861.3 Ų61.317%0.1731%0.311CS..Hα-helixtrans-63.1-44.9-179.7172.40000110.3I122 R165 E166 H171 I172 V173 N185I122-V169 HydrophobicContact CG2-CG2 3.96Å; R165-V169 HydrophobicContact CG-CG2 4.27Å; R165-V169 VanDerWaalsContact O-CG2 3.31Å; R165-V169 WeakPolarHBondContact O-CG2 3.37Å; R165-V169 PolarHBondContact O-N 3.26Å; E166-V169 PolarHBondContact O-N 3.01Å; V169-H171 VanDerWaalsContact C-N 3.34Å; V169-H171 PolarHBondContact O-N 2.86Å; V169-I172 PolarHBondContact O-N 3.33Å; V169-I172 VanDerWaalsContact O-N 3.16Å; V169-V173 WeakPolarHBondContact O-CG2 3.45Å; V169-V173 PolarHBondContact O-N 3.04Å; V169-N185 HydrophobicContact CG1-CB 4.1Å; V169-N185 VanDerWaalsContact CG1-CG 3.48Å; V169-N185 VanDerWaalsContact CG1-OD1 3.31Å; V169-N185 WeakPolarHBondContact CG1-OD1 3.37Å
170H94.3Very high93.7Very high94 Ų9461.5 Ų61.544%0.43531%0.313SS..Hα-helixtrans-59.9-43.2175.9-178.2-96.2000111.9E166 L168 I172 V173 Q174E166-H170 WeakPolarHBondContact O-CB 3.34Å; E166-H170 PolarHBondContact O-N 3.46Å; L168-H170 VanDerWaalsContact C-N 3.35Å; H170-I172 VanDerWaalsContact C-N 3.34Å; H170-I172 PolarHBondContact O-N 3.4Å; H170-V173 PolarHBondContact O-N 2.56Å; H170-Q174 PolarHBondContact CE1-NE2 2.95Å; H170-Q174 PolarHBondContact CE1-OE1 2.98Å; H170-Q174 PolarHBondContact ND1-OE1 3.06Å; H170-Q174 WeakPolarHBondContact O-CB 3.34Å; H170-Q174 WeakPolarHBondContact O-CG 3.47Å; H170-Q174 PolarHBondContact O-N 2.63Å
171H94.1Very high93.8Very high18 Ų1855.1 Ų55.18%0.08330%0.299CS..Hα-helixtrans-59.9-42.1174.117772.5000112.3H3 A7 Y45 H167 L168 V169 Q174 S175H3-H171 AromaticContact CD2-CE1 3.92Å; A7-H171 PolarHBondContact O-NE2 3.19Å; Y45-H171 AromaticContact CD1-CD2 3.92Å; Y45-H171 AromaticContact CD2-CD2 3.61Å; Y45-H171 AromaticContact CD2-CE1 3.58Å; Y45-H171 AromaticContact CD2-CG 3.67Å; Y45-H171 AromaticContact CD2-ND1 3.66Å; Y45-H171 AromaticContact CD2-NE2 3.53Å; Y45-H171 HydrophobicContact CE1-CB 4.13Å; Y45-H171 HydrophobicContact CE2-CB 3.84Å; Y45-H171 AromaticContact CE2-CD2 3.8Å; Y45-H171 AromaticContact CE2-CE1 3.9Å; Y45-H171 AromaticContact CE2-CG 3.4Å; Y45-H171 VanDerWaalsContact CE2-CG 3.4Å; Y45-H171 AromaticContact CE2-ND1 3.48Å; Y45-H171 WeakPolarHBondContact CE2-ND1 3.27Å; Y45-H171 AromaticContact CG-CD2 3.66Å; Y45-H171 AromaticContact CG-NE2 3.73Å; Y45-H171 AromaticContact CZ-CG 3.65Å; H167-H171 VanDerWaalsContact O-CB 3.32Å; H167-H171 WeakPolarHBondContact O-CB 3.38Å; H167-H171 PolarHBondContact O-N 3.02Å; L168-H171 PolarHBondContact O-N 3.4Å; V169-H171 VanDerWaalsContact C-N 3.34Å; V169-H171 PolarHBondContact O-N 2.86Å; H171-Q174 PolarHBondContact O-N 2.94Å; H171-S175 WeakPolarHBondContact O-CB 3.31Å; H171-S175 PolarHBondContact O-N 3.29Å; H171-S175 PolarHBondContact O-OG 3.07Å
172I94.5Very high94Very high15 Ų1553.7 Ų53.78%0.07729%0.287CS..Hα-helixtrans-62.5-48.6176.1-68.7167.7000110.1L11 L168 V169 H170 Q174 S175 Q176L11-I172 HydrophobicContact CD1-CG2 4.01Å; L11-I172 HydrophobicContact CD2-CG2 4.11Å; L11-I172 HydrophobicContact CG-CG2 4.17Å; L168-I172 HydrophobicContact CD1-CD1 4.18Å; L168-I172 HydrophobicContact CD1-CG1 4.47Å; L168-I172 HydrophobicContact CG-CD1 4.19Å; L168-I172 WeakPolarHBondContact O-CG1 3.42Å; L168-I172 PolarHBondContact O-N 2.93Å; V169-I172 PolarHBondContact O-N 3.33Å; V169-I172 VanDerWaalsContact O-N 3.16Å; H170-I172 VanDerWaalsContact C-N 3.34Å; H170-I172 PolarHBondContact O-N 3.4Å; I172-Q174 PolarHBondContact O-N 3.2Å; I172-S175 WeakPolarHBondContact O-CB 3.48Å; I172-S175 PolarHBondContact O-N 3.22Å; I172-S175 VanDerWaalsContact O-N 3.13Å; I172-Q176 PolarHBondContact O-NE2 3.41Å
173V95.5Very high94.1Very high21 Ų2157.7 Ų57.713%0.12731%0.307CS..Hα-helixtrans-60.2-46.1178.4174.70000111.3V169 H170 S175 Q176 L183 N185 C188V169-V173 WeakPolarHBondContact O-CG2 3.45Å; V169-V173 PolarHBondContact O-N 3.04Å; H170-V173 PolarHBondContact O-N 2.56Å; V173-S175 PolarHBondContact O-N 3.01Å; V173-Q176 WeakPolarHBondContact O-CB 3.29Å; V173-Q176 PolarHBondContact O-N 3.28Å; V173-Q176 VanDerWaalsContact O-N 3.1Å; V173-L183 VanDerWaalsContact CG1-O 3.3Å; V173-L183 WeakPolarHBondContact CG1-O 3.49Å; V173-N185 WeakPolarHBondContact CG2-OD1 3.43Å; V173-C188 HydrophobicContact CG2-CB 4.21Å
174Q94.6Very high94.3Very high133 Ų13358.7 Ų58.762%0.62131%0.313SS*.Hα-helixtrans-66.4-20178.1-71.4-169.5-42.500114.1H170 H171 I172 Q176H170-Q174 PolarHBondContact CE1-NE2 2.95Å; H170-Q174 PolarHBondContact CE1-OE1 2.98Å; H170-Q174 PolarHBondContact ND1-OE1 3.06Å; H170-Q174 WeakPolarHBondContact O-CB 3.34Å; H170-Q174 WeakPolarHBondContact O-CG 3.47Å; H170-Q174 PolarHBondContact O-N 2.63Å; H171-Q174 PolarHBondContact O-N 2.94Å; I172-Q174 PolarHBondContact O-N 3.2Å; Q174-Q176 VanDerWaalsContact C-N 3.27Å
175S93.7Very high94.3Very high20 Ų2059 Ų5914%0.1431%0.312CS..THydrogen-bonded Turntrans-80.3-6.4176-63.60000113.2H171 I172 V173H171-S175 WeakPolarHBondContact O-CB 3.31Å; H171-S175 PolarHBondContact O-N 3.29Å; H171-S175 PolarHBondContact O-OG 3.07Å; I172-S175 WeakPolarHBondContact O-CB 3.48Å; I172-S175 PolarHBondContact O-N 3.22Å; I172-S175 VanDerWaalsContact O-N 3.13Å; V173-S175 PolarHBondContact O-N 3.01Å
176Q95.3Very high94.3Very high12 Ų1263 Ų636%0.05633%0.333CS..SBendtrans-82.8136.3-178.8-55.6-42.3-64.600111L9 I172 V173 Q174 L182L9-Q176 PolarHBondContact O-NE2 3.12Å; I172-Q176 PolarHBondContact O-NE2 3.41Å; V173-Q176 WeakPolarHBondContact O-CB 3.29Å; V173-Q176 PolarHBondContact O-N 3.28Å; V173-Q176 VanDerWaalsContact O-N 3.1Å; Q174-Q176 VanDerWaalsContact C-N 3.27Å; Q176-L182 HydrophobicContact CB-CB 4.2Å; Q176-L182 WeakPolarHBondContact CB-O 3.25Å; Q176-L182 HydrophobicContact CG-CB 3.89Å; Q176-L182 WeakPolarHBondContact CG-O 3.24Å
177P93.4Very high94.4Very high30 Ų3059.7 Ų59.720%0.19532%0.317CS..  trans-57.9140.8171.8-21.231.1000110.7N10 E179 S180N10-P177 WeakPolarHBondContact ND2-CD 3.3Å; N10-P177 VanDerWaalsContact ND2-CG 3.26Å; N10-P177 WeakPolarHBondContact ND2-CG 3.42Å; P177-E179 HydrophobicContact CB-CG 4.24Å; P177-E179 WeakPolarHBondContact CB-OE1 3.29Å; P177-E179 WeakPolarHBondContact CB-OE2 3.49Å; P177-E179 PolarHBondContact O-N 3.03Å; P177-E179 VanDerWaalsContact O-N 3.12Å; P177-S180 WeakPolarHBondContact O-CB 3.49Å; P177-S180 PolarHBondContact O-N 3.43Å; P177-S180 PolarHBondContact O-OG 3.46Å
178P91.1Very high94.5Very high105 Ų10554.7 Ų54.768%0.68230%0.295SS*.G310 helixtrans-53.3-34.4179.2-2835.5000114.1S180P178-S180 VanDerWaalsContact C-N 3.26Å; P178-S180 PolarHBondContact O-N 2.91Å
179E93.2Very high94.6Very high160 Ų16056.4 Ų56.475%0.74831%0.307SS*.G310 helixtrans-75.5-8.317968.5-85.6-161.200114.5P177 G181P177-E179 HydrophobicContact CB-CG 4.24Å; P177-E179 WeakPolarHBondContact CB-OE1 3.29Å; P177-E179 WeakPolarHBondContact CB-OE2 3.49Å; P177-E179 PolarHBondContact O-N 3.03Å; P177-E179 VanDerWaalsContact O-N 3.12Å; E179-G181 VanDerWaalsContact C-N 3.29Å; E179-G181 PolarHBondContact O-N 2.92Å
180S92.4Very high94.8Very high14 Ų1461.4 Ų61.410%0.09833%0.328CS..G310 helixtrans-70.4-24.6-178.270.10000113.4Y12 P177 P178 L182Y12-S180 WeakPolarHBondContact CE2-O 3.47Å; Y12-S180 PolarHBondContact OH-O 3Å; P177-S180 WeakPolarHBondContact O-CB 3.49Å; P177-S180 PolarHBondContact O-N 3.43Å; P177-S180 PolarHBondContact O-OG 3.46Å; P178-S180 VanDerWaalsContact C-N 3.26Å; P178-S180 PolarHBondContact O-N 2.91Å; S180-L182 PolarHBondContact O-N 2.95Å; S180-L182 PolarHBondContact OG-N 3.34Å; S180-L182 VanDerWaalsContact OG-N 3.11Å
181G93.2Very high94.9Very high38 Ų3857.7 Ų57.739%0.39231%0.31SS..SBendtrans717.4-169.600000114.3E179 L183 Q187E179-G181 VanDerWaalsContact C-N 3.29Å; E179-G181 PolarHBondContact O-N 2.92Å; G181-L183 PolarHBondContact O-N 3.42Å; G181-Q187 PolarHBondContact O-NE2 2.89Å; G181-Q187 PolarHBondContact O-OE1 3.45Å
182L95.6Very high95.1Very high9 Ų957.4 Ų57.45%0.04731%0.31CS..  trans-100.165.2177.6-58.4-179.2000110.1L11 Y12 Q176 S180 Q187 F191L11-L182 HydrophobicContact CB-CD1 4.03Å; L11-L182 HydrophobicContact CD1-CD1 4.21Å; Y12-L182 HydrophobicContact CD2-CD1 3.75Å; Y12-L182 HydrophobicContact CD2-CG 4.4Å; Y12-L182 HydrophobicContact CE2-CD1 3.53Å; Y12-L182 HydrophobicContact CE2-CG 3.76Å; Q176-L182 HydrophobicContact CB-CB 4.2Å; Q176-L182 WeakPolarHBondContact CB-O 3.25Å; Q176-L182 HydrophobicContact CG-CB 3.89Å; Q176-L182 WeakPolarHBondContact CG-O 3.24Å; S180-L182 PolarHBondContact O-N 2.95Å; S180-L182 PolarHBondContact OG-N 3.34Å; S180-L182 VanDerWaalsContact OG-N 3.11Å; L182-Q187 HydrophobicContact CD2-CB 4.18Å; L182-F191 HydrophobicContact CD1-CB 4.11Å; L182-F191 HydrophobicContact CD1-CD1 3.83Å; L182-F191 HydrophobicContact CD1-CD2 4.3Å; L182-F191 HydrophobicContact CD1-CE1 4.35Å; L182-F191 HydrophobicContact CD1-CG 3.81Å; L182-F191 HydrophobicContact CD2-CB 3.63Å; L182-F191 HydrophobicContact CD2-CD2 4.22Å; L182-F191 HydrophobicContact CD2-CG 3.98Å
183L94.9Very high95.2Very high105 Ų10558.8 Ų58.855%0.5532%0.319SS..  trans-100.7-7.2-170-55.3-178.5000113.4V173 G181V173-L183 VanDerWaalsContact CG1-O 3.3Å; V173-L183 WeakPolarHBondContact CG1-O 3.49Å; G181-L183 PolarHBondContact O-N 3.42Å
184T95.9Very high95.3Very high54 Ų5460.9 Ų60.933%0.33133%0.334SS..SBendtrans-126.3164.5177.984.20000112.3E186 Q187 C188T184-E186 VanDerWaalsContact C-N 3.26Å; T184-E186 VanDerWaalsContact CB-OE2 3.25Å; T184-E186 WeakPolarHBondContact CB-OE2 3.27Å; T184-E186 PolarHBondContact O-N 2.93Å; T184-E186 PolarHBondContact OG1-N 3.48Å; T184-E186 PolarHBondContact OG1-OE2 3.33Å; T184-Q187 VanDerWaalsContact N-OE1 3.13Å; T184-Q187 PolarHBondContact O-N 3.04Å; T184-Q187 PolarHBondContact OG1-N 3.42Å; T184-C188 WeakPolarHBondContact O-CB 3.48Å; T184-C188 PolarHBondContact O-N 3.33Å
185N94.8Very high95.5Very high81 Ų8159 Ų5943%0.43333%0.325SS..Hα-helixtrans-58.4-40.9175.2-67.5-5.6000111.3V169 V173 S189V169-N185 HydrophobicContact CG1-CB 4.1Å; V169-N185 VanDerWaalsContact CG1-CG 3.48Å; V169-N185 VanDerWaalsContact CG1-OD1 3.31Å; V169-N185 WeakPolarHBondContact CG1-OD1 3.37Å; V173-N185 WeakPolarHBondContact CG2-OD1 3.43Å; N185-S189 WeakPolarHBondContact O-CB 3.33Å; N185-S189 PolarHBondContact O-N 2.72Å
186E95.5Very high95.7Very high128 Ų12858 Ų5860%0.59832%0.318SS*.Hα-helixtrans-65.3-47.3-178.8-59.769.2-147.900110.6T184 S189 E190T184-E186 VanDerWaalsContact C-N 3.26Å; T184-E186 VanDerWaalsContact CB-OE2 3.25Å; T184-E186 WeakPolarHBondContact CB-OE2 3.27Å; T184-E186 PolarHBondContact O-N 2.93Å; T184-E186 PolarHBondContact OG1-N 3.48Å; T184-E186 PolarHBondContact OG1-OE2 3.33Å; E186-S189 PolarHBondContact O-N 2.94Å; E186-E190 VanDerWaalsContact O-CB 3.3Å; E186-E190 WeakPolarHBondContact O-CB 3.45Å; E186-E190 PolarHBondContact O-N 2.96Å
187Q97.1Very high95.8Very high79 Ų7957.6 Ų57.637%0.36932%0.317SS..Hα-helixtrans-63.3-45.6178.7-67.2173.5-36.900111.6G181 L182 T184 E190 F191G181-Q187 PolarHBondContact O-NE2 2.89Å; G181-Q187 PolarHBondContact O-OE1 3.45Å; L182-Q187 HydrophobicContact CD2-CB 4.18Å; T184-Q187 VanDerWaalsContact N-OE1 3.13Å; T184-Q187 PolarHBondContact O-N 3.04Å; T184-Q187 PolarHBondContact OG1-N 3.42Å; Q187-E190 PolarHBondContact O-N 3.29Å; Q187-F191 WeakPolarHBondContact O-CB 3.38Å; Q187-F191 PolarHBondContact O-N 3.37Å
188C97Very high96Very high4 Ų459.2 Ų59.23%0.02733%0.327CS..Hα-helixtrans-61.8-44.2175.7-79.70000112.1L11 V173 T184 L192L11-C188 HydrophobicContact CD1-CB 3.91Å; V173-C188 HydrophobicContact CG2-CB 4.21Å; T184-C188 WeakPolarHBondContact O-CB 3.48Å; T184-C188 PolarHBondContact O-N 3.33Å; C188-L192 VanDerWaalsContact O-CB 3.3Å; C188-L192 WeakPolarHBondContact O-CB 3.4Å; C188-L192 WeakPolarHBondContact O-CG 3.43Å; C188-L192 PolarHBondContact O-N 2.79Å
189S96.5Very high96.4Very high37 Ų3755.1 Ų55.126%0.25930%0.3SS..Hα-helixtrans-64.3-45.2178.4-174.90000111.6N185 E186 L192 T193N185-S189 WeakPolarHBondContact O-CB 3.33Å; N185-S189 PolarHBondContact O-N 2.72Å; E186-S189 PolarHBondContact O-N 2.94Å; S189-L192 PolarHBondContact O-N 3.35Å; S189-T193 WeakPolarHBondContact O-CB 3.49Å; S189-T193 WeakPolarHBondContact O-CG2 3.44Å; S189-T193 PolarHBondContact O-N 2.72Å; S189-T193 PolarHBondContact O-OG1 2.65Å
190E97.4Very high96.6Very high132 Ų13247.5 Ų47.562%0.61726%0.264SS*.Hα-helixtrans-62.8-44.9177.8-177.2168.7-177.700111.3E186 Q187 T193 S194E186-E190 VanDerWaalsContact O-CB 3.3Å; E186-E190 WeakPolarHBondContact O-CB 3.45Å; E186-E190 PolarHBondContact O-N 2.96Å; Q187-E190 PolarHBondContact O-N 3.29Å; E190-T193 PolarHBondContact O-N 2.99Å; E190-T193 PolarHBondContact O-OG1 2.92Å; E190-S194 WeakPolarHBondContact O-CB 3.42Å; E190-S194 PolarHBondContact O-N 2.84Å; E190-S194 PolarHBondContact O-OG 2.86Å
191F97.8Very high96.9Very high16 Ų1650.1 Ų50.17%0.0727%0.272CS..Hα-helixtrans-64.3-44.4176.6-173.9-92.7000112.3L11 Y12 Y15 L182 Q187 H195 T196L11-F191 HydrophobicContact CB-CD1 3.92Å; L11-F191 HydrophobicContact CB-CE1 4.02Å; Y12-F191 HydrophobicContact CD1-CE1 4.36Å; Y12-F191 AromaticContact CD1-CE2 3.76Å; Y12-F191 HydrophobicContact CD1-CE2 3.76Å; Y12-F191 AromaticContact CD1-CZ 3.43Å; Y12-F191 HydrophobicContact CD1-CZ 3.43Å; Y12-F191 VanDerWaalsContact CD1-CZ 3.43Å; Y12-F191 HydrophobicContact CD2-CZ 4.41Å; Y12-F191 HydrophobicContact CE1-CD2 4.29Å; Y12-F191 AromaticContact CE1-CE2 3.3Å; Y12-F191 HydrophobicContact CE1-CE2 3.3Å; Y12-F191 AromaticContact CE1-CZ 3.53Å; Y12-F191 HydrophobicContact CE1-CZ 3.53Å; Y12-F191 HydrophobicContact CE2-CE2 4.31Å; Y12-F191 HydrophobicContact CE2-CZ 4.48Å; Y12-F191 HydrophobicContact CG-CE1 4.44Å; Y12-F191 HydrophobicContact CG-CE2 4.44Å; Y12-F191 AromaticContact CG-CZ 3.92Å; Y12-F191 HydrophobicContact CG-CZ 3.92Å; Y12-F191 AromaticContact CZ-CE2 3.63Å; Y15-F191 HydrophobicContact CD1-CZ 4.26Å; Y15-F191 HydrophobicContact CG-CZ 4.13Å; L182-F191 HydrophobicContact CD1-CB 4.11Å; L182-F191 HydrophobicContact CD1-CD1 3.83Å; L182-F191 HydrophobicContact CD1-CD2 4.3Å; L182-F191 HydrophobicContact CD1-CE1 4.35Å; L182-F191 HydrophobicContact CD1-CG 3.81Å; L182-F191 HydrophobicContact CD2-CB 3.63Å; L182-F191 HydrophobicContact CD2-CD2 4.22Å; L182-F191 HydrophobicContact CD2-CG 3.98Å; Q187-F191 WeakPolarHBondContact O-CB 3.38Å; Q187-F191 PolarHBondContact O-N 3.37Å; F191-H195 AromaticContact CD2-CD2 3.71Å; F191-H195 HydrophobicContact CE2-CB 4.37Å; F191-H195 AromaticContact CE2-CD2 3.69Å; F191-H195 HydrophobicContact CZ-CB 4.5Å; F191-H195 WeakPolarHBondContact O-CB 3.32Å; F191-H195 PolarHBondContact O-N 3.23Å; F191-T196 WeakPolarHBondContact CD1-OG1 3.43Å; F191-T196 VanDerWaalsContact CE1-OG1 3.24Å; F191-T196 WeakPolarHBondContact CE1-OG1 3.27Å; F191-T196 PolarHBondContact O-N 3.23Å
192L97.1Very high97.2Very high13 Ų1353.4 Ų53.47%0.06828%0.276CS..Iπ-helixtrans-57.3-53.1175.5-85.8171.3000111.3L11 M119 C188 S189 T196 L197L11-L192 HydrophobicContact CD1-CD1 4.25Å; L11-L192 HydrophobicContact CD1-CD2 4.43Å; L11-L192 HydrophobicContact CD1-CG 3.92Å; L11-L192 HydrophobicContact CD2-CD1 4.29Å; L11-L192 HydrophobicContact CD2-CD2 3.58Å; L11-L192 HydrophobicContact CD2-CG 3.97Å; M119-L192 HydrophobicContact SD-CD2 4.49Å; C188-L192 VanDerWaalsContact O-CB 3.3Å; C188-L192 WeakPolarHBondContact O-CB 3.4Å; C188-L192 WeakPolarHBondContact O-CG 3.43Å; C188-L192 PolarHBondContact O-N 2.79Å; S189-L192 PolarHBondContact O-N 3.35Å; L192-T196 HydrophobicContact CD2-CG2 4.14Å; L192-T196 PolarHBondContact O-N 2.89Å; L192-L197 WeakPolarHBondContact O-CB 3.18Å; L192-L197 WeakPolarHBondContact O-CG 3.48Å; L192-L197 PolarHBondContact O-N 3.02Å
193T97.7Very high97.3Very high44 Ų4453 Ų5327%0.2727%0.274SS..Iπ-helixtrans-73.3-35.6-173.7530000113C123 S189 E190 L197 P198C123-T193 HydrophobicContact CB-CG2 3.66Å; S189-T193 WeakPolarHBondContact O-CB 3.49Å; S189-T193 WeakPolarHBondContact O-CG2 3.44Å; S189-T193 PolarHBondContact O-N 2.72Å; S189-T193 PolarHBondContact O-OG1 2.65Å; E190-T193 PolarHBondContact O-N 2.99Å; E190-T193 PolarHBondContact O-OG1 2.92Å; T193-L197 HydrophobicContact CG2-CD1 4.5Å; T193-P198 VanDerWaalsContact O-CD 3.29Å; T193-P198 WeakPolarHBondContact O-CD 3.48Å; T193-P198 WeakPolarHBondContact O-CG 3.17Å
194S97.8Very high97.5Very high64 Ų6449.5 Ų49.545%0.44825%0.253SS..Iπ-helixtrans-87.1-25.8-176.2-56.50000113.4E190E190-S194 WeakPolarHBondContact O-CB 3.42Å; E190-S194 PolarHBondContact O-N 2.84Å; E190-S194 PolarHBondContact O-OG 2.86Å
195H97.7Very high97.6Very high93 Ų9351 Ų5143%0.43126%0.259SS..Iπ-helixtrans-128.6-57.7-171-59.2-12.4000112.9Y15 F191 V199Y15-H195 HydrophobicContact CD2-CB 3.96Å; Y15-H195 HydrophobicContact CE2-CB 3.93Å; F191-H195 AromaticContact CD2-CD2 3.71Å; F191-H195 HydrophobicContact CE2-CB 4.37Å; F191-H195 AromaticContact CE2-CD2 3.69Å; F191-H195 HydrophobicContact CZ-CB 4.5Å; F191-H195 WeakPolarHBondContact O-CB 3.32Å; F191-H195 PolarHBondContact O-N 3.23Å; H195-V199 PolarHBondContact O-N 2.85Å
196T97.8Very high97.8Very high0 Ų047.8 Ų47.80%024%0.243CC..Iπ-helixtrans-68.7-52.2-171.5-51.70000113.1V14 F191 L192 V199 M200V14-T196 HydrophobicContact CB-CG2 4.25Å; V14-T196 HydrophobicContact CG1-CG2 3.65Å; F191-T196 WeakPolarHBondContact CD1-OG1 3.43Å; F191-T196 VanDerWaalsContact CE1-OG1 3.24Å; F191-T196 WeakPolarHBondContact CE1-OG1 3.27Å; F191-T196 PolarHBondContact O-N 3.23Å; L192-T196 HydrophobicContact CD2-CG2 4.14Å; L192-T196 PolarHBondContact O-N 2.89Å; T196-V199 WeakPolarHBondContact O-CG1 3.22Å; T196-V199 PolarHBondContact O-N 3.38Å; T196-M200 HydrophobicContact CG2-CG 4.5Å; T196-M200 HydrophobicContact CG2-SD 3.96Å; T196-M200 VanDerWaalsContact O-CG 3.31Å; T196-M200 WeakPolarHBondContact O-CG 3.3Å; T196-M200 PolarHBondContact O-N 2.93Å
197L98.1Very high97.9Very high3 Ų341.7 Ų41.72%0.01621%0.214CC..Hα-helixtrans-65.6-40-178.6-62.4174.5000112.4I116 M119 Q120 L192 T193 V199 M200 R201I116-L197 HydrophobicContact CG2-CD2 4.17Å; M119-L197 HydrophobicContact CB-CD1 4.27Å; M119-L197 HydrophobicContact CB-CD2 3.66Å; M119-L197 HydrophobicContact CG-CD2 4.5Å; M119-L197 HydrophobicContact SD-CD2 4.12Å; Q120-L197 HydrophobicContact CB-CD1 4.13Å; Q120-L197 VanDerWaalsContact OE1-CD1 3.27Å; L192-L197 WeakPolarHBondContact O-CB 3.18Å; L192-L197 WeakPolarHBondContact O-CG 3.48Å; L192-L197 PolarHBondContact O-N 3.02Å; T193-L197 HydrophobicContact CG2-CD1 4.5Å; L197-V199 PolarHBondContact O-N 2.9Å; L197-M200 HydrophobicContact CD2-SD 4.21Å; L197-M200 PolarHBondContact O-N 3.28Å; L197-R201 VanDerWaalsContact O-CB 3.3Å; L197-R201 WeakPolarHBondContact O-CB 3.27Å; L197-R201 PolarHBondContact O-N 3.42Å
198P98.4Very high98Very high65 Ų6540 Ų4042%0.42221%0.207SC..Hα-helixtrans-57.5-42.5172.1-3037.2000114.2T193 R201 K202T193-P198 VanDerWaalsContact O-CD 3.29Å; T193-P198 WeakPolarHBondContact O-CD 3.48Å; T193-P198 WeakPolarHBondContact O-CG 3.17Å; P198-R201 PolarHBondContact O-N 3.45Å; P198-K202 PolarHBondContact O-N 2.8Å
199V98.3Very high98.1Very high18 Ų1842.6 Ų42.611%0.10923%0.228CC..Hα-helixtrans-72.1-39.3178.971.10000112.1Y15 F18 K19 H195 T196 L197 R201 K202 V203Y15-V199 HydrophobicContact CD2-CB 4.48Å; Y15-V199 HydrophobicContact CD2-CG1 3.68Å; Y15-V199 HydrophobicContact CE2-CB 4.46Å; Y15-V199 HydrophobicContact CE2-CG1 4.13Å; F18-V199 HydrophobicContact CB-CG1 3.9Å; F18-V199 HydrophobicContact CB-CG2 4.38Å; K19-V199 HydrophobicContact CB-CG2 4.05Å; H195-V199 PolarHBondContact O-N 2.85Å; T196-V199 WeakPolarHBondContact O-CG1 3.22Å; T196-V199 PolarHBondContact O-N 3.38Å; L197-V199 PolarHBondContact O-N 2.9Å; V199-R201 VanDerWaalsContact C-N 3.29Å; V199-R201 PolarHBondContact O-N 3.34Å; V199-K202 WeakPolarHBondContact O-CB 3.41Å; V199-K202 PolarHBondContact O-N 2.95Å; V199-V203 PolarHBondContact O-N 2.74Å
200M98.5Very high98.1Very high0 Ų041.2 Ų41.20%022%0.218CC..Hα-helixtrans-59.9-42.4172.6-68.7174.472.600111.2V14 F18 V39 L112 V115 I116 T196 L197 K202 V203 Y204V14-M200 HydrophobicContact CG1-SD 4.21Å; F18-M200 HydrophobicContact CB-CG 4.23Å; F18-M200 HydrophobicContact CD1-CB 4.29Å; F18-M200 HydrophobicContact CD1-CG 3.84Å; F18-M200 HydrophobicContact CD2-CG 3.66Å; F18-M200 HydrophobicContact CD2-SD 4.41Å; F18-M200 HydrophobicContact CE1-CB 4.48Å; F18-M200 HydrophobicContact CE1-CG 4.08Å; F18-M200 HydrophobicContact CE2-CE 4.04Å; F18-M200 HydrophobicContact CE2-CG 3.93Å; F18-M200 HydrophobicContact CE2-SD 4.32Å; F18-M200 HydrophobicContact CG-CB 4.49Å; F18-M200 HydrophobicContact CG-CG 3.62Å; F18-M200 HydrophobicContact CZ-CE 4Å; F18-M200 HydrophobicContact CZ-CG 4.13Å; V39-M200 HydrophobicContact CG2-CE 4Å; L112-M200 HydrophobicContact CD1-CE 3.73Å; V115-M200 HydrophobicContact CG1-CE 4.14Å; I116-M200 HydrophobicContact CD1-CB 3.92Å; I116-M200 HydrophobicContact CG1-CB 3.85Å; I116-M200 HydrophobicContact CG1-CE 3.86Å; T196-M200 HydrophobicContact CG2-CG 4.5Å; T196-M200 HydrophobicContact CG2-SD 3.96Å; T196-M200 VanDerWaalsContact O-CG 3.31Å; T196-M200 WeakPolarHBondContact O-CG 3.3Å; T196-M200 PolarHBondContact O-N 2.93Å; L197-M200 HydrophobicContact CD2-SD 4.21Å; L197-M200 PolarHBondContact O-N 3.28Å; M200-K202 VanDerWaalsContact C-N 3.35Å; M200-K202 PolarHBondContact O-N 2.69Å; M200-V203 PolarHBondContact O-N 2.68Å; M200-Y204 PolarHBondContact O-N 2.93Å
201R98.4Very high98.1Very high70 Ų7034.9 Ų34.926%0.26419%0.189SC..Hα-helixtrans-63-39.6175.3-176.565.265.7-166.65.4112D117 L197 P198 V199 Y204 N205D117-R201 IonicContact OD1-CZ 2.75Å; D117-R201 IonicContact OD1-NH1 3.35Å; D117-R201 IonicContact OD1-NH2 3.05Å; D117-R201 PolarHBondContact OD1-NH2 3.09Å; L197-R201 VanDerWaalsContact O-CB 3.3Å; L197-R201 WeakPolarHBondContact O-CB 3.27Å; L197-R201 PolarHBondContact O-N 3.42Å; P198-R201 PolarHBondContact O-N 3.45Å; V199-R201 VanDerWaalsContact C-N 3.29Å; V199-R201 PolarHBondContact O-N 3.34Å; R201-Y204 PolarHBondContact O-N 3.1Å; R201-N205 WeakPolarHBondContact O-CB 3.24Å; R201-N205 PolarHBondContact O-N 3.18Å; R201-N205 PolarHBondContact O-OD1 3.46Å
202K98.4Very high98.1Very high107 Ų10740.4 Ų40.447%0.46521%0.214SC..Hα-helixtrans-59.5-49.7174.8-175.3176.5-179.4179.50111.1V22 P198 V199 M200 Y204 N205 C206V22-K202 HydrophobicContact CG1-CD 4.13Å; V22-K202 HydrophobicContact CG2-CD 4.17Å; V22-K202 HydrophobicContact CG2-CG 4.39Å; P198-K202 PolarHBondContact O-N 2.8Å; V199-K202 WeakPolarHBondContact O-CB 3.41Å; V199-K202 PolarHBondContact O-N 2.95Å; M200-K202 VanDerWaalsContact C-N 3.35Å; M200-K202 PolarHBondContact O-N 2.69Å; K202-Y204 VanDerWaalsContact C-N 3.35Å; K202-Y204 PolarHBondContact O-N 2.96Å; K202-N205 PolarHBondContact O-N 3.32Å; K202-C206 PolarHBondContact O-N 3.2Å; K202-C206 PolarHBondContact O-SG 3.06Å; K202-C206 VanDerWaalsContact O-SG 3.37Å
203V98.7Very high98.1Very high0 Ų046.5 Ų46.50%024%0.24CC..Hα-helixtrans-58.3-46.6176.51720000111.2F18 C21 V22 V27 Y32 V199 M200 N205 C206 I207F18-V203 HydrophobicContact CD1-CB 4.17Å; F18-V203 HydrophobicContact CD1-CG1 4.27Å; F18-V203 HydrophobicContact CD1-CG2 4.09Å; F18-V203 HydrophobicContact CE1-CG1 4.46Å; F18-V203 WeakPolarHBondContact O-CG2 3.42Å; C21-V203 HydrophobicContact CB-CG1 4.35Å; C21-V203 HydrophobicContact CB-CG2 3.76Å; V22-V203 HydrophobicContact CG2-CG2 3.69Å; V27-V203 HydrophobicContact CG1-CG1 4.23Å; V27-V203 HydrophobicContact CG2-CG1 4.02Å; Y32-V203 HydrophobicContact CD2-CG1 3.81Å; Y32-V203 HydrophobicContact CE2-CG1 4.01Å; V199-V203 PolarHBondContact O-N 2.74Å; M200-V203 PolarHBondContact O-N 2.68Å; V203-N205 VanDerWaalsContact C-N 3.35Å; V203-N205 PolarHBondContact O-N 3.42Å; V203-C206 PolarHBondContact O-N 2.82Å; V203-I207 HydrophobicContact CG1-CD1 4.09Å; V203-I207 WeakPolarHBondContact O-CG1 3.23Å; V203-I207 PolarHBondContact O-N 2.86Å; V203-I207 VanDerWaalsContact O-N 3.1Å
204Y98.7Very high97.8Very high31 Ų3145.4 Ų45.412%0.12223%0.232CC..Hα-helixtrans-55.7-48.4174.7176.5-90000111.6H109 L113 M200 R201 K202 C206 I207 Q208H109-Y204 AromaticContact CE1-CD2 3.17Å; H109-Y204 WeakPolarHBondContact CE1-CD2 3.05Å; H109-Y204 AromaticContact CE1-CE2 3.01Å; H109-Y204 WeakPolarHBondContact CE1-CE2 2.83Å; H109-Y204 AromaticContact CE1-CG 3.77Å; H109-Y204 AromaticContact CE1-CZ 3.53Å; H109-Y204 PolarHBondContact CE1-O 3.28Å; H109-Y204 VanDerWaalsContact CE1-O 3.26Å; H109-Y204 AromaticContact ND1-CD2 3.37Å; H109-Y204 WeakPolarHBondContact ND1-CD2 3.36Å; H109-Y204 AromaticContact ND1-CE2 3.47Å; H109-Y204 WeakPolarHBondContact ND1-CE2 3.38Å; H109-Y204 AromaticContact NE2-CE2 3.37Å; H109-Y204 WeakPolarHBondContact NE2-CE2 3.41Å; H109-Y204 AromaticContact NE2-CZ 3.64Å; H109-Y204 WeakPolarHBondContact O-CE2 3.11Å; L113-Y204 HydrophobicContact CB-CD2 4.18Å; L113-Y204 HydrophobicContact CB-CE2 3.56Å; L113-Y204 HydrophobicContact CD1-CE1 4.3Å; L113-Y204 HydrophobicContact CD1-CE2 4.37Å; L113-Y204 HydrophobicContact CD2-CE2 4.45Å; L113-Y204 HydrophobicContact CG-CE2 4.33Å; M200-Y204 PolarHBondContact O-N 2.93Å; R201-Y204 PolarHBondContact O-N 3.1Å; K202-Y204 VanDerWaalsContact C-N 3.35Å; K202-Y204 PolarHBondContact O-N 2.96Å; Y204-C206 PolarHBondContact O-N 3.46Å; Y204-I207 PolarHBondContact O-N 3.45Å; Y204-Q208 HydrophobicContact CE1-CB 4.4Å; Y204-Q208 VanDerWaalsContact O-CB 3.27Å; Y204-Q208 WeakPolarHBondContact O-CB 3.31Å; Y204-Q208 PolarHBondContact O-N 3.22Å
205N98.6Very high97.5Very high86 Ų8646.9 Ų46.946%0.4624%0.235SC..Hα-helixtrans-64.8-38.5-178.7-69.9-10.1000112.6R201 K202 V203 Q208 A209R201-N205 WeakPolarHBondContact O-CB 3.24Å; R201-N205 PolarHBondContact O-N 3.18Å; R201-N205 PolarHBondContact O-OD1 3.46Å; K202-N205 PolarHBondContact O-N 3.32Å; V203-N205 VanDerWaalsContact C-N 3.35Å; V203-N205 PolarHBondContact O-N 3.42Å; N205-Q208 PolarHBondContact O-N 2.95Å; N205-A209 WeakPolarHBondContact O-CB 3.34Å; N205-A209 PolarHBondContact O-N 3.24Å
206C98.4Very high97.3Very high13 Ų1342.4 Ų42.49%0.08822%0.215CC..Hα-helixtrans-61.6-48.9174.8-69.10000111.4V27 K202 V203 Y204 Q208 A209 V210V27-C206 HydrophobicContact CG2-CB 3.68Å; K202-C206 PolarHBondContact O-N 3.2Å; K202-C206 PolarHBondContact O-SG 3.06Å; K202-C206 VanDerWaalsContact O-SG 3.37Å; V203-C206 PolarHBondContact O-N 2.82Å; Y204-C206 PolarHBondContact O-N 3.46Å; C206-Q208 VanDerWaalsContact C-N 3.34Å; C206-Q208 PolarHBondContact O-N 3.41Å; C206-A209 PolarHBondContact O-N 3.24Å; C206-V210 WeakPolarHBondContact O-CG2 3.35Å; C206-V210 PolarHBondContact O-N 3.01Å
207I98.6Very high97.1Very high0 Ų044.4 Ų44.40%023%0.225CC..Hα-helixtrans-61.9-44.4177.2-63.5171.7000110.7V27 Y32 V78 L105 H109 V203 Y204 A209 V210 F211V27-I207 HydrophobicContact CB-CG1 4.16Å; V27-I207 HydrophobicContact CG1-CD1 4.35Å; V27-I207 HydrophobicContact CG1-CG1 4.43Å; V27-I207 HydrophobicContact CG2-CG1 3.94Å; Y32-I207 HydrophobicContact CD2-CD1 3.75Å; Y32-I207 HydrophobicContact CE2-CD1 3.37Å; V78-I207 HydrophobicContact CG1-CG2 4.45Å; V78-I207 HydrophobicContact CG2-CG1 4.24Å; L105-I207 HydrophobicContact CD1-CD1 4.46Å; L105-I207 HydrophobicContact CD2-CG2 4.35Å; H109-I207 HydrophobicContact CB-CG2 4.19Å; V203-I207 HydrophobicContact CG1-CD1 4.09Å; V203-I207 WeakPolarHBondContact O-CG1 3.23Å; V203-I207 PolarHBondContact O-N 2.86Å; V203-I207 VanDerWaalsContact O-N 3.1Å; Y204-I207 PolarHBondContact O-N 3.45Å; I207-A209 VanDerWaalsContact C-N 3.32Å; I207-A209 PolarHBondContact O-N 2.76Å; I207-V210 PolarHBondContact O-N 2.75Å; I207-F211 HydrophobicContact CG2-CD1 4.14Å; I207-F211 HydrophobicContact CG2-CE1 4.1Å; I207-F211 HydrophobicContact CG2-CG 4.42Å; I207-F211 HydrophobicContact CG2-CZ 4.3Å; I207-F211 WeakPolarHBondContact O-CB 3.37Å; I207-F211 WeakPolarHBondContact O-CD1 3.4Å; I207-F211 PolarHBondContact O-N 3.49Å
208Q98.5Very high96.8Very high45 Ų4550.1 Ų50.121%0.2126%0.255CS..Hα-helixtrans-56.5-47.2177.5-178.464.130.600111.1H109 Y204 N205 C206 F211 E212H109-Q208 PolarHBondContact NE2-OE1 3.25Å; Y204-Q208 HydrophobicContact CE1-CB 4.4Å; Y204-Q208 VanDerWaalsContact O-CB 3.27Å; Y204-Q208 WeakPolarHBondContact O-CB 3.31Å; Y204-Q208 PolarHBondContact O-N 3.22Å; N205-Q208 PolarHBondContact O-N 2.95Å; C206-Q208 VanDerWaalsContact C-N 3.34Å; C206-Q208 PolarHBondContact O-N 3.41Å; Q208-F211 PolarHBondContact O-N 2.77Å; Q208-E212 WeakPolarHBondContact O-CB 3.48Å; Q208-E212 PolarHBondContact O-N 3.47Å
209A98.3Very high96.4Very high57 Ų5747.2 Ų47.247%0.47124%0.236SC..Hα-helixtrans-64.3-43.4179.700000112.5N205 C206 I207 F211 E212 K213N205-A209 WeakPolarHBondContact O-CB 3.34Å; N205-A209 PolarHBondContact O-N 3.24Å; C206-A209 PolarHBondContact O-N 3.24Å; I207-A209 VanDerWaalsContact C-N 3.32Å; I207-A209 PolarHBondContact O-N 2.76Å; A209-F211 VanDerWaalsContact C-N 3.34Å; A209-F211 PolarHBondContact O-N 3.45Å; A209-E212 PolarHBondContact O-N 2.71Å; A209-K213 VanDerWaalsContact O-CB 3.24Å; A209-K213 WeakPolarHBondContact O-CB 3.5Å; A209-K213 PolarHBondContact O-N 3.41Å
210V98Very high95.6Very high8 Ų850.3 Ų50.35%0.04826%0.257CS..Hα-helixtrans-61.2-44.8175.1174.50000110.5V78 E79 V82 C206 I207 K213 H214V78-V210 HydrophobicContact CG1-CB 4.39Å; V78-V210 HydrophobicContact CG1-CG1 4.1Å; E79-V210 HydrophobicContact CB-CG1 4.24Å; E79-V210 HydrophobicContact CB-CG2 4.35Å; V82-V210 HydrophobicContact CB-CG1 4.29Å; V82-V210 HydrophobicContact CG2-CG1 4.09Å; C206-V210 WeakPolarHBondContact O-CG2 3.35Å; C206-V210 PolarHBondContact O-N 3.01Å; I207-V210 PolarHBondContact O-N 2.75Å; V210-K213 PolarHBondContact O-N 3.29Å; V210-H214 PolarHBondContact O-CD2 2.93Å; V210-H214 VanDerWaalsContact O-CD2 3.28Å; V210-H214 PolarHBondContact O-N 3.15Å
211F97.3Very high95.5Very high0 Ų052.9 Ų52.90%027%0.27CS..Hα-helixtrans-70.5-35.5-177.3-81.429.2000112.6V78 V82 L105 L106 I207 Q208 A209 D215 M216 L217V78-F211 HydrophobicContact CG1-CD1 4.21Å; V78-F211 HydrophobicContact CG1-CE1 3.64Å; V82-F211 HydrophobicContact CG2-CD1 4.04Å; V82-F211 HydrophobicContact CG2-CE1 3.68Å; L105-F211 HydrophobicContact CB-CZ 4.08Å; L105-F211 HydrophobicContact CD2-CE1 4.01Å; L105-F211 HydrophobicContact CD2-CZ 3.76Å; L105-F211 HydrophobicContact CG-CZ 3.92Å; L106-F211 HydrophobicContact CB-CD2 4.44Å; L106-F211 HydrophobicContact CB-CE2 3.77Å; L106-F211 HydrophobicContact CD1-CD2 3.8Å; L106-F211 HydrophobicContact CD1-CE2 3.97Å; L106-F211 HydrophobicContact CG-CE2 4.43Å; I207-F211 HydrophobicContact CG2-CD1 4.14Å; I207-F211 HydrophobicContact CG2-CE1 4.1Å; I207-F211 HydrophobicContact CG2-CG 4.42Å; I207-F211 HydrophobicContact CG2-CZ 4.3Å; I207-F211 WeakPolarHBondContact O-CB 3.37Å; I207-F211 WeakPolarHBondContact O-CD1 3.4Å; I207-F211 PolarHBondContact O-N 3.49Å; Q208-F211 PolarHBondContact O-N 2.77Å; A209-F211 VanDerWaalsContact C-N 3.34Å; A209-F211 PolarHBondContact O-N 3.45Å; F211-D215 PolarHBondContact O-N 3.23Å; F211-M216 HydrophobicContact CB-CB 4.19Å; F211-M216 HydrophobicContact CD2-CB 4.25Å; F211-M216 HydrophobicContact CG-CB 4.11Å; F211-M216 PolarHBondContact O-N 3.13Å; F211-L217 HydrophobicContact CB-CD2 3.68Å; F211-L217 HydrophobicContact CB-CG 4.12Å
212E97.2Very high95.3Very high131 Ų13151.9 Ų51.961%0.61227%0.27SS*.Hα-helixtrans-65.9-46.7173.8-171.2168.5-175.700111.3Q208 A209 H214 D215 L217Q208-E212 WeakPolarHBondContact O-CB 3.48Å; Q208-E212 PolarHBondContact O-N 3.47Å; A209-E212 PolarHBondContact O-N 2.71Å; E212-H214 PolarHBondContact O-N 3.02Å; E212-D215 PolarHBondContact O-N 3.27Å; E212-L217 HydrophobicContact CB-CD1 3.92Å; E212-L217 HydrophobicContact CG-CD1 4.2Å
213K96.1Very high95.2Very high141 Ų14148.9 Ų48.961%0.61326%0.259SS*.Hα-helixtrans-55-34.1177.2177.3-175.4170.2-172.80113.1E79 A209 V210E79-K213 IonicContact OE1-NZ 3.63Å; E79-K213 PolarHBondContact OE1-NZ 3.42Å; A209-K213 VanDerWaalsContact O-CB 3.24Å; A209-K213 WeakPolarHBondContact O-CB 3.5Å; A209-K213 PolarHBondContact O-N 3.41Å; V210-K213 PolarHBondContact O-N 3.29Å
214H92.7Very high95Very high21 Ų2151.8 Ų51.810%0.09728%0.275CS..THydrogen-bonded Turntrans-107.513.1-175.5-70.8-86.8000114.5V82 L83 E86 V210 E212 M216V82-H214 HydrophobicContact CG1-CB 3.41Å; V82-H214 VanDerWaalsContact CG1-CB 3.41Å; V82-H214 VanDerWaalsContact CG1-CG 3.41Å; L83-H214 WeakPolarHBondContact CD2-CE1 3.45Å; E86-H214 IonicContact OE2-CE1 2.66Å; E86-H214 IonicContact OE2-CG 2.64Å; E86-H214 IonicContact OE2-ND1 3.74Å; E86-H214 PolarHBondContact OE2-ND1 3.11Å; V210-H214 PolarHBondContact O-CD2 2.93Å; V210-H214 VanDerWaalsContact O-CD2 3.28Å; V210-H214 PolarHBondContact O-N 3.15Å; E212-H214 PolarHBondContact O-N 3.02Å; H214-M216 HydrophobicContact CB-CG 3.92Å; H214-M216 WeakPolarHBondContact O-CG 3.45Å; H214-M216 PolarHBondContact O-N 3.01Å
215D91.6Very high94.7Very high95 Ų9553.1 Ų53.151%0.50828%0.284SS..THydrogen-bonded Turntrans52.938.6-178-164.726.2000114F211 E212F211-D215 PolarHBondContact O-N 3.23Å; E212-D215 PolarHBondContact O-N 3.27Å
216M92.6Very high94.5Very high0 Ų050.9 Ų50.90%027%0.272CS..  trans-97.8-1.6-177.9-63.6-60.5-177.200113.5V82 E86 F211 H214 N218 L219V82-M216 HydrophobicContact CG1-CE 4.1Å; V82-M216 HydrophobicContact CG1-CG 4Å; E86-M216 HydrophobicContact CB-CE 3.94Å; E86-M216 HydrophobicContact CG-CE 4.47Å; F211-M216 HydrophobicContact CB-CB 4.19Å; F211-M216 HydrophobicContact CD2-CB 4.25Å; F211-M216 HydrophobicContact CG-CB 4.11Å; F211-M216 PolarHBondContact O-N 3.13Å; H214-M216 HydrophobicContact CB-CG 3.92Å; H214-M216 WeakPolarHBondContact O-CG 3.45Å; H214-M216 PolarHBondContact O-N 3.01Å; M216-N218 PolarHBondContact O-N 3.14Å; M216-L219 HydrophobicContact CB-CD1 3.92Å; M216-L219 HydrophobicContact CB-CG 4.24Å; M216-L219 HydrophobicContact CG-CD1 4.33Å; M216-L219 WeakPolarHBondContact O-CG 3.42Å; M216-L219 PolarHBondContact O-N 3.33Å; M216-L219 HydrophobicContact SD-CD1 3.76Å; M216-L219 HydrophobicContact SD-CD2 3.74Å; M216-L219 HydrophobicContact SD-CG 3.96Å
217L94.7Very high94.2Very high41 Ų4153.6 Ų53.622%0.21529%0.286CS..THydrogen-bonded Turntrans-68.6-19.5-177.7-69.1174.9000114.1R110 F211 E212R110-L217 PolarHBondContact NH2-O 3.09Å; F211-L217 HydrophobicContact CB-CD2 3.68Å; F211-L217 HydrophobicContact CB-CG 4.12Å; E212-L217 HydrophobicContact CB-CD1 3.92Å; E212-L217 HydrophobicContact CG-CD1 4.2Å
218N91.6Very high93.9Very high123 Ų12357.7 Ų57.766%0.65831%0.308SS*.THydrogen-bonded Turntrans-114.718.2-176.1-64.9-55.7000113.3M216M216-N218 PolarHBondContact O-N 3.14Å
219L89.8Confident93.5Very high4 Ų458.8 Ų58.82%0.02132%0.316CS..  trans-54.4138.2175.1-70.5171.5000110.9C99 R103 L106 M216C99-L219 HydrophobicContact CB-CD1 4.24Å; C99-L219 HydrophobicContact CB-CD2 4.33Å; R103-L219 HydrophobicContact CG-CB 3.73Å; R103-L219 HydrophobicContact CG-CD1 3.94Å; R103-L219 HydrophobicContact CG-CG 4.3Å; L106-L219 HydrophobicContact CD2-CB 3.94Å; M216-L219 HydrophobicContact CB-CD1 3.92Å; M216-L219 HydrophobicContact CB-CG 4.24Å; M216-L219 HydrophobicContact CG-CD1 4.33Å; M216-L219 WeakPolarHBondContact O-CG 3.42Å; M216-L219 PolarHBondContact O-N 3.33Å; M216-L219 HydrophobicContact SD-CD1 3.76Å; M216-L219 HydrophobicContact SD-CD2 3.74Å; M216-L219 HydrophobicContact SD-CG 3.96Å
220P81.9Confident93Very high84 Ų8458.9 Ų58.955%0.54530%0.302SS..  trans-66.70-176.130.1-36.5000112.1R103 R107R103-P220 PolarHBondContact NE-O 2.78Å; R103-P220 PolarHBondContact NH2-O 3.03Å; R103-P220 VanDerWaalsContact NH2-O 3.13Å; R107-P220 VanDerWaalsContact CZ-O 3.26Å; R107-P220 PolarHBondContact NH1-O 3.37Å; R107-P220 PolarHBondContact NH2-O 3.06Å; R107-P220 PolarHBondContact NH2-OXT 3.26Å

Retrieved 220 of 220 residues in 358.9 ms (Link to these results)

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