G4VBW2_SCHMA Loading...

NF-kappa-B inhibitor-like protein 1

AlphaFold DB , UniProt , Accession G4VBW2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 435 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
1M35.8Very low43.9Very low236 Ų236120.8 Ų120.8100%1.16362%0.622SS**  01310-71.8159.8161.500107.4
2Y34.8Very low44.9Very low234 Ų234124 Ų12492%0.91863%0.632SS**  trans-95.8125.4170.2-75.4-85.3000108C4Y2-C4 PolarHBondContact O-N 3.49Å
3N36.5Very low46.7Very low127 Ų127122.8 Ų122.868%0.67963%0.628SS**  trans-71127.7-179.6-73.2-7.9000110.5S5N3-S5 PolarHBondContact O-N 3.13Å; N3-S5 VanDerWaalsContact O-N 3.13Å
4C42.3Very low48.7Very low83 Ų83120.4 Ų120.456%0.56161%0.613SS**G310 helixtrans-64.7-13.4177.3-66.30000114Y2 N6Y2-C4 PolarHBondContact O-N 3.49Å; C4-N6 PolarHBondContact O-N 3Å
5S45.9Very low50.8Low94 Ų94120.5 Ų120.566%0.65761%0.61SS**G310 helixtrans-61.1-6.2177.4-420000115.3N3N3-S5 PolarHBondContact O-N 3.13Å; N3-S5 VanDerWaalsContact O-N 3.13Å
6N43.1Very low52.8Low109 Ų109117.9 Ų117.958%0.58360%0.595SS**G310 helixtrans-101.818.3-175.4-1020.6000114.5C4 T9C4-N6 PolarHBondContact O-N 3Å; N6-T9 VanDerWaalsContact CA-OG1 3.25Å; N6-T9 WeakPolarHBondContact CA-OG1 3.26Å; N6-T9 PolarHBondContact O-OG1 2.89Å; N6-T9 PolarHBondContact OD1-OG1 3.49Å
7L44.7Very low54.7Low31 Ų31111.9 Ų111.916%0.16257%0.565CS.*SBendtrans-92.5-31.4176.3-101.6157.2000113.4T9 L10 L39L7-T9 PolarHBondContact O-N 3.4Å; L7-L10 HydrophobicContact CD2-CD1 3.74Å; L7-L10 HydrophobicContact CG-CD1 4.13Å; L7-L10 PolarHBondContact O-N 3.2Å; L7-L39 WeakPolarHBondContact CD1-O 3.47Å; L7-L39 HydrophobicContact CD2-CB 4.1Å
8E44.3Very low56.4Low164 Ų164108.3 Ų108.377%0.76655%0.545SS*.THydrogen-bonded Turntrans-64.8-25.8167-64.3-171.4117.400111.8
9T47.7Very low58.1Low88 Ų88105.2 Ų105.254%0.5453%0.534SS..THydrogen-bonded Turntrans-85.5-5.9175.155.10000114.3N6 L7N6-T9 VanDerWaalsContact CA-OG1 3.25Å; N6-T9 WeakPolarHBondContact CA-OG1 3.26Å; N6-T9 PolarHBondContact O-OG1 2.89Å; N6-T9 PolarHBondContact OD1-OG1 3.49Å; L7-T9 PolarHBondContact O-N 3.4Å
10L51.3Low59.6Low114 Ų114102.5 Ų102.560%0.59752%0.52SS*.SBendtrans-82.3-16.2-179.8-98.9169.2000113.8L7L7-L10 HydrophobicContact CD2-CD1 3.74Å; L7-L10 HydrophobicContact CG-CD1 4.13Å; L7-L10 PolarHBondContact O-N 3.2Å
11F56.7Low61.1Low49 Ų4997.6 Ų97.622%0.21550%0.496CS..SBendtrans-127117.4169.8-55.3-62.8000107.8N13 L17 I20 L36 V40F11-N13 PolarHBondContact O-N 2.93Å; F11-L17 HydrophobicContact CB-CB 4.39Å; F11-L17 HydrophobicContact CD2-CB 4.39Å; F11-L17 HydrophobicContact CD2-CD1 4.02Å; F11-L17 HydrophobicContact CD2-CD2 4.24Å; F11-L17 HydrophobicContact CD2-CG 4.45Å; F11-L17 HydrophobicContact CE2-CD1 3.9Å; F11-L17 HydrophobicContact CG-CB 4.27Å; F11-L17 HydrophobicContact CG-CD1 4.47Å; F11-L17 HydrophobicContact CZ-CD1 4.27Å; F11-I20 HydrophobicContact CD1-CD1 3.65Å; F11-I20 HydrophobicContact CE1-CD1 3.48Å; F11-I20 VanDerWaalsContact CE1-CD1 3.48Å; F11-L36 HydrophobicContact CE2-CD1 3.84Å; F11-L36 HydrophobicContact CZ-CD1 3.49Å; F11-L36 VanDerWaalsContact CZ-CD1 3.49Å; F11-V40 HydrophobicContact CE2-CG2 4.26Å
12Q56Low63.7Low159 Ų15987.1 Ų87.174%0.74344%0.444SS*.SBendtrans-74-17.9-167-63.2176.6-12.500112.2E16Q12-E16 WeakPolarHBondContact CB-OE2 3.25Å; Q12-E16 PolarHBondContact N-OE2 3.49Å
13N68.5Low66.4Low109 Ų10981.7 Ų81.758%0.58343%0.426SS*.SBendtrans-148.6154.7171.1-70.5-87.8000111.2F11 E15 E16F11-N13 PolarHBondContact O-N 2.93Å; N13-E15 PolarHBondContact O-N 3.3Å; N13-E16 HydrophobicContact CB-CG 4.34Å; N13-E16 WeakPolarHBondContact O-CB 3.44Å; N13-E16 PolarHBondContact O-N 2.6Å
14E74.8Confident69.1Low89 Ų8976.7 Ų76.742%0.41640%0.399SS..Hα-helixtrans-57.1-32.4174.5-170.2-178.3101.100112.6E16 L17 K18 K55E14-E16 VanDerWaalsContact C-N 3.28Å; E14-E16 PolarHBondContact O-N 2.9Å; E14-L17 PolarHBondContact O-N 3.47Å; E14-K18 WeakPolarHBondContact O-CG 3.34Å; E14-K18 PolarHBondContact O-N 3.01Å; E14-K18 WeakPolarHBondContact OE1-CE 3.44Å; E14-K18 IonicContact OE1-NZ 2.67Å; E14-K18 PolarHBondContact OE1-NZ 3.48Å; E14-K55 WeakPolarHBondContact OE2-CE 3.37Å; E14-K55 IonicContact OE2-NZ 2.68Å; E14-K55 PolarHBondContact OE2-NZ 3.39Å
15E80.1Confident71.5Confident121 Ų12172.8 Ų72.857%0.56537%0.372SS*.Hα-helixtrans-64.5-28175.4-66.7-53.5130.700113.5N13 K18 S19N13-E15 PolarHBondContact O-N 3.3Å; E15-K18 VanDerWaalsContact OE1-CD 3.28Å; E15-K18 WeakPolarHBondContact OE1-CD 3.39Å; E15-K18 IonicContact OE1-NZ 2.65Å; E15-K18 PolarHBondContact OE1-NZ 3.34Å; E15-S19 WeakPolarHBondContact O-CB 3.41Å; E15-S19 PolarHBondContact O-N 2.89Å
16E83Confident73.7Confident79 Ų7972.2 Ų72.237%0.36936%0.356SS..Hα-helixtrans-69.1-44.5173-58.9-161.9128.900110.9Q12 N13 E14 S19 I20Q12-E16 WeakPolarHBondContact CB-OE2 3.25Å; Q12-E16 PolarHBondContact N-OE2 3.49Å; N13-E16 HydrophobicContact CB-CG 4.34Å; N13-E16 WeakPolarHBondContact O-CB 3.44Å; N13-E16 PolarHBondContact O-N 2.6Å; E14-E16 VanDerWaalsContact C-N 3.28Å; E14-E16 PolarHBondContact O-N 2.9Å; E16-S19 CarbonylContact O-C 3.56Å; E16-S19 WeakPolarHBondContact O-CA 3.22Å; E16-S19 WeakPolarHBondContact O-CB 3.31Å; E16-S19 PolarHBondContact O-N 3.26Å; E16-S19 VanDerWaalsContact O-N 3.16Å; E16-I20 WeakPolarHBondContact O-CB 3.32Å; E16-I20 VanDerWaalsContact O-CG1 3.27Å; E16-I20 WeakPolarHBondContact O-CG1 3.31Å; E16-I20 PolarHBondContact O-N 2.95Å
17L83.6Confident75.9Confident16 Ų1670.4 Ų70.48%0.08435%0.351CS..Hα-helixtrans-63.8-43.2177.3-17852.4000111.2F11 E14 S19 I20 I21 L36 V40 W51F11-L17 HydrophobicContact CB-CB 4.39Å; F11-L17 HydrophobicContact CD2-CB 4.39Å; F11-L17 HydrophobicContact CD2-CD1 4.02Å; F11-L17 HydrophobicContact CD2-CD2 4.24Å; F11-L17 HydrophobicContact CD2-CG 4.45Å; F11-L17 HydrophobicContact CE2-CD1 3.9Å; F11-L17 HydrophobicContact CG-CB 4.27Å; F11-L17 HydrophobicContact CG-CD1 4.47Å; F11-L17 HydrophobicContact CZ-CD1 4.27Å; E14-L17 PolarHBondContact O-N 3.47Å; L17-S19 PolarHBondContact O-N 3.18Å; L17-I20 PolarHBondContact O-N 2.83Å; L17-I21 HydrophobicContact CD1-CD1 4.04Å; L17-I21 HydrophobicContact CD1-CG1 4.3Å; L17-I21 HydrophobicContact CG-CD1 4.09Å; L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å; L17-I21 PolarHBondContact O-N 3.28Å; L17-L36 HydrophobicContact CD1-CD1 3.88Å; L17-L36 HydrophobicContact CD1-CD2 3.95Å; L17-L36 HydrophobicContact CD1-CG 4.16Å; L17-V40 HydrophobicContact CD2-CG2 4.4Å; L17-W51 HydrophobicContact CD2-CH2 3.95Å; L17-W51 HydrophobicContact CD2-CZ2 3.5Å; L17-W51 VanDerWaalsContact CD2-CZ2 3.5Å; L17-W51 HydrophobicContact CG-CH2 4.07Å; L17-W51 HydrophobicContact CG-CZ2 4.14Å
18K86.8Confident78.1Confident48 Ų4869.8 Ų69.821%0.20935%0.353CS..Hα-helixtrans-56.6-47169.4-71.6169-176.7160.90111.7E14 E15 I20 I21 I22 I59E14-K18 WeakPolarHBondContact O-CG 3.34Å; E14-K18 PolarHBondContact O-N 3.01Å; E14-K18 WeakPolarHBondContact OE1-CE 3.44Å; E14-K18 IonicContact OE1-NZ 2.67Å; E14-K18 PolarHBondContact OE1-NZ 3.48Å; E15-K18 VanDerWaalsContact OE1-CD 3.28Å; E15-K18 WeakPolarHBondContact OE1-CD 3.39Å; E15-K18 IonicContact OE1-NZ 2.65Å; E15-K18 PolarHBondContact OE1-NZ 3.34Å; K18-I20 PolarHBondContact O-N 3.31Å; K18-I21 PolarHBondContact O-N 3.45Å; K18-I22 WeakPolarHBondContact O-CB 3.33Å; K18-I22 VanDerWaalsContact O-CG1 3.27Å; K18-I22 WeakPolarHBondContact O-CG1 3.39Å; K18-I22 PolarHBondContact O-N 3.38Å; K18-I59 HydrophobicContact CB-CG2 4.39Å; K18-I59 HydrophobicContact CG-CD1 4.07Å; K18-I59 HydrophobicContact CG-CG1 4.12Å; K18-I59 HydrophobicContact CG-CG2 4.39Å
19S88.2Confident80.3Confident49 Ų4964 Ų6434%0.34333%0.327SS..Hα-helixtrans-61.2-40.7178.3-174.60000112.2E15 E16 L17 K23E15-S19 WeakPolarHBondContact O-CB 3.41Å; E15-S19 PolarHBondContact O-N 2.89Å; E16-S19 CarbonylContact O-C 3.56Å; E16-S19 WeakPolarHBondContact O-CA 3.22Å; E16-S19 WeakPolarHBondContact O-CB 3.31Å; E16-S19 PolarHBondContact O-N 3.26Å; E16-S19 VanDerWaalsContact O-N 3.16Å; L17-S19 PolarHBondContact O-N 3.18Å; S19-K23 WeakPolarHBondContact O-CB 3.34Å; S19-K23 WeakPolarHBondContact O-CD 3.46Å; S19-K23 WeakPolarHBondContact O-CG 3.3Å; S19-K23 PolarHBondContact O-N 3.36Å; S19-K23 WeakPolarHBondContact OG-CE 3.23Å; S19-K23 PolarHBondContact OG-NZ 3.43Å
20I88.6Confident82.4Confident50 Ų5060.4 Ų60.426%0.25630%0.304SS..Hα-helixtrans-67.9-48.9177-70.1165.9000111.1F11 E16 L17 K18 I22 K23 L24 L36F11-I20 HydrophobicContact CD1-CD1 3.65Å; F11-I20 HydrophobicContact CE1-CD1 3.48Å; F11-I20 VanDerWaalsContact CE1-CD1 3.48Å; E16-I20 WeakPolarHBondContact O-CB 3.32Å; E16-I20 VanDerWaalsContact O-CG1 3.27Å; E16-I20 WeakPolarHBondContact O-CG1 3.31Å; E16-I20 PolarHBondContact O-N 2.95Å; L17-I20 PolarHBondContact O-N 2.83Å; K18-I20 PolarHBondContact O-N 3.31Å; I20-I22 VanDerWaalsContact C-N 3.3Å; I20-I22 PolarHBondContact O-N 3.01Å; I20-K23 WeakPolarHBondContact O-CA 3.49Å; I20-K23 WeakPolarHBondContact O-CB 3.44Å; I20-K23 PolarHBondContact O-N 2.86Å; I20-L24 HydrophobicContact CG2-CD1 4.12Å; I20-L24 HydrophobicContact CG2-CG 4.44Å; I20-L24 WeakPolarHBondContact O-CG 3.34Å; I20-L24 PolarHBondContact O-N 3.43Å; I20-L36 HydrophobicContact CG2-CD2 3.88Å
21I90.2Very high84.2Confident0 Ų058.9 Ų58.90%030%0.303CS..Hα-helixtrans-57.5-45.6175.9-69.1166.3000110.4L17 K18 K23 L24 V25 L33 L36 F37 W51 I59 L67L17-I21 HydrophobicContact CD1-CD1 4.04Å; L17-I21 HydrophobicContact CD1-CG1 4.3Å; L17-I21 HydrophobicContact CG-CD1 4.09Å; L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å; L17-I21 PolarHBondContact O-N 3.28Å; K18-I21 PolarHBondContact O-N 3.45Å; I21-K23 VanDerWaalsContact C-N 3.34Å; I21-K23 PolarHBondContact O-N 3.08Å; I21-L24 PolarHBondContact O-N 3.49Å; I21-V25 HydrophobicContact CG2-CG2 4.48Å; I21-V25 WeakPolarHBondContact O-CG2 3.4Å; I21-V25 PolarHBondContact O-N 2.98Å; I21-L33 HydrophobicContact CG1-CD1 4.35Å; I21-L33 HydrophobicContact CG2-CD1 4.16Å; I21-L36 HydrophobicContact CD1-CD2 4.49Å; I21-L36 HydrophobicContact CG1-CD2 3.64Å; I21-F37 HydrophobicContact CD1-CE1 3.94Å; I21-F37 HydrophobicContact CG1-CE1 4.3Å; I21-W51 HydrophobicContact CD1-CE3 4.23Å; I21-W51 HydrophobicContact CD1-CH2 3.61Å; I21-W51 HydrophobicContact CD1-CZ3 3.32Å; I21-I59 HydrophobicContact CD1-CD1 3.96Å; I21-I59 HydrophobicContact CG2-CD1 4.35Å; I21-L67 HydrophobicContact CG2-CD1 3.78Å; I21-L67 HydrophobicContact CG2-CD2 3.92Å
22I90.9Very high85.8Confident16 Ų1662.3 Ų62.38%0.08232%0.318CS..Hα-helixtrans-61.8-38.6175.3-73.8171.8000111.7K18 I20 R26 I59 L67 I70K18-I22 WeakPolarHBondContact O-CB 3.33Å; K18-I22 VanDerWaalsContact O-CG1 3.27Å; K18-I22 WeakPolarHBondContact O-CG1 3.39Å; K18-I22 PolarHBondContact O-N 3.38Å; I20-I22 VanDerWaalsContact C-N 3.3Å; I20-I22 PolarHBondContact O-N 3.01Å; I22-R26 VanDerWaalsContact CG2-NE 3.34Å; I22-R26 WeakPolarHBondContact O-CB 3.47Å; I22-R26 VanDerWaalsContact O-CD 3.32Å; I22-R26 WeakPolarHBondContact O-CD 3.4Å; I22-R26 WeakPolarHBondContact O-CG 3.38Å; I22-R26 PolarHBondContact O-N 3.45Å; I22-I59 HydrophobicContact CD1-CG2 3.77Å; I22-I59 HydrophobicContact CG1-CG2 3.87Å; I22-L67 HydrophobicContact CG1-CD2 3.98Å; I22-I70 HydrophobicContact CG1-CD1 4.1Å; I22-I70 HydrophobicContact CG2-CD1 4.23Å
23K91.4Very high87.4Confident121 Ų12154.8 Ų54.853%0.52628%0.283SS..Hα-helixtrans-63.9-44.7174.5-73.3158.4-172.6165.80111.6S19 I20 I21 R26 S27S19-K23 WeakPolarHBondContact O-CB 3.34Å; S19-K23 WeakPolarHBondContact O-CD 3.46Å; S19-K23 WeakPolarHBondContact O-CG 3.3Å; S19-K23 PolarHBondContact O-N 3.36Å; S19-K23 WeakPolarHBondContact OG-CE 3.23Å; S19-K23 PolarHBondContact OG-NZ 3.43Å; I20-K23 WeakPolarHBondContact O-CA 3.49Å; I20-K23 WeakPolarHBondContact O-CB 3.44Å; I20-K23 PolarHBondContact O-N 2.86Å; I21-K23 VanDerWaalsContact C-N 3.34Å; I21-K23 PolarHBondContact O-N 3.08Å; K23-R26 WeakPolarHBondContact O-CB 3.35Å; K23-R26 PolarHBondContact O-N 3.07Å; K23-S27 PolarHBondContact O-N 3.1Å; K23-S27 PolarHBondContact O-OG 2.95Å
24L92.6Very high88.3Confident22 Ų2253.9 Ų53.912%0.11527%0.274CS..Hα-helixtrans-66.5-40.9179.7-65.5176.4000112.6I20 I21 R26 S27 G28 D29 K32 L33 L36I20-L24 HydrophobicContact CG2-CD1 4.12Å; I20-L24 HydrophobicContact CG2-CG 4.44Å; I20-L24 WeakPolarHBondContact O-CG 3.34Å; I20-L24 PolarHBondContact O-N 3.43Å; I21-L24 PolarHBondContact O-N 3.49Å; L24-R26 VanDerWaalsContact C-N 3.29Å; L24-R26 PolarHBondContact O-N 3.21Å; L24-S27 PolarHBondContact O-N 3.49Å; L24-S27 PolarHBondContact O-OG 3.47Å; L24-S27 VanDerWaalsContact O-OG 3.05Å; L24-G28 PolarHBondContact O-N 3.1Å; L24-D29 HydrophobicContact CD2-CB 4.2Å; L24-D29 PolarHBondContact O-N 3Å; L24-D29 VanDerWaalsContact O-N 3.13Å; L24-K32 HydrophobicContact CD1-CB 4.22Å; L24-K32 HydrophobicContact CD2-CB 3.67Å; L24-K32 HydrophobicContact CD2-CD 4.16Å; L24-L33 HydrophobicContact CB-CB 4.43Å; L24-L33 HydrophobicContact CB-CD1 4.29Å; L24-L33 HydrophobicContact CD1-CB 4.34Å; L24-L33 HydrophobicContact CD1-CD1 4.18Å; L24-L36 HydrophobicContact CD1-CD2 3.85Å
25V92.4Very high88.8Confident0 Ų054 Ų540%028%0.276CS..Hα-helixtrans-66.8-30.4173.6175.90000111.8I21 L33 L67 I70 A71 M79 L83I21-V25 HydrophobicContact CG2-CG2 4.48Å; I21-V25 WeakPolarHBondContact O-CG2 3.4Å; I21-V25 PolarHBondContact O-N 2.98Å; V25-L33 HydrophobicContact CG2-CD2 4.1Å; V25-L67 WeakPolarHBondContact CG1-O 3.27Å; V25-L67 HydrophobicContact CG2-CD2 4.35Å; V25-I70 HydrophobicContact CG1-CB 4.16Å; V25-I70 HydrophobicContact CG1-CG2 3.98Å; V25-A71 HydrophobicContact CG1-CB 3.92Å; V25-M79 HydrophobicContact CG1-CG 4.42Å; V25-M79 HydrophobicContact CG2-SD 4.12Å; V25-L83 HydrophobicContact CG1-CD1 4.19Å
26R92.1Very high89.1Confident83 Ų8348.9 Ų48.931%0.31325%0.253SS..Hα-helixtrans-72.7-35172.8-72.8167.5177.1171.91113I22 K23 L24 D61 I70 Y74 H76I22-R26 VanDerWaalsContact CG2-NE 3.34Å; I22-R26 WeakPolarHBondContact O-CB 3.47Å; I22-R26 VanDerWaalsContact O-CD 3.32Å; I22-R26 WeakPolarHBondContact O-CD 3.4Å; I22-R26 WeakPolarHBondContact O-CG 3.38Å; I22-R26 PolarHBondContact O-N 3.45Å; K23-R26 WeakPolarHBondContact O-CB 3.35Å; K23-R26 PolarHBondContact O-N 3.07Å; L24-R26 VanDerWaalsContact C-N 3.29Å; L24-R26 PolarHBondContact O-N 3.21Å; R26-D61 IonicContact NH2-OD2 3.57Å; R26-D61 PolarHBondContact NH2-OD2 3.04Å; R26-I70 HydrophobicContact CG-CG2 3.53Å; R26-Y74 HydrophobicContact CB-CD2 4.47Å; R26-Y74 HydrophobicContact CB-CE2 4.1Å; R26-Y74 HydrophobicContact CG-CD2 4.35Å; R26-Y74 HydrophobicContact CG-CE2 3.69Å; R26-H76 PolarHBondContact O-NE2 3.18Å; R26-H76 VanDerWaalsContact O-NE2 3.08Å
27S91Very high89Confident71 Ų7145.7 Ų45.750%0.49724%0.237SC..Hα-helixtrans-81.9-20.4176.360.30000113.8K23 L24 D29 H76K23-S27 PolarHBondContact O-N 3.1Å; K23-S27 PolarHBondContact O-OG 2.95Å; L24-S27 PolarHBondContact O-N 3.49Å; L24-S27 PolarHBondContact O-OG 3.47Å; L24-S27 VanDerWaalsContact O-OG 3.05Å; S27-D29 VanDerWaalsContact C-N 3.34Å; S27-D29 WeakPolarHBondContact OG-CB 3.31Å; S27-D29 PolarHBondContact OG-N 3.35Å; S27-H76 VanDerWaalsContact C-NE2 3.33Å; S27-H76 PolarHBondContact O-CE1 2.93Å; S27-H76 PolarHBondContact O-NE2 2.97Å
28G89.9Confident88.8Confident18 Ų1851.1 Ų51.119%0.18626%0.262CS..THydrogen-bonded Turntrans79.917.1-173.500000113L24 I30 H76L24-G28 PolarHBondContact O-N 3.1Å; G28-I30 PolarHBondContact O-N 3.47Å; G28-H76 WeakPolarHBondContact CA-CD2 3.03Å; G28-H76 PolarHBondContact N-CD2 3.05Å; G28-H76 PolarHBondContact N-NE2 2.78Å
29D91.1Very high88.3Confident42 Ų4252.9 Ų52.923%0.22527%0.274CS..  trans-85.179.5-173.2-165-29.3000111.3L24 S27 S31 K32 L33L24-D29 HydrophobicContact CD2-CB 4.2Å; L24-D29 PolarHBondContact O-N 3Å; L24-D29 VanDerWaalsContact O-N 3.13Å; S27-D29 VanDerWaalsContact C-N 3.34Å; S27-D29 WeakPolarHBondContact OG-CB 3.31Å; S27-D29 PolarHBondContact OG-N 3.35Å; D29-S31 VanDerWaalsContact C-N 3.29Å; D29-S31 PolarHBondContact O-N 3.39Å; D29-K32 HydrophobicContact CB-CB 4.42Å; D29-K32 PolarHBondContact O-N 3.13Å; D29-K32 WeakPolarHBondContact OD1-CB 3.43Å; D29-K32 WeakPolarHBondContact OD1-CG 3.43Å; D29-K32 PolarHBondContact OD1-N 3.05Å; D29-K32 VanDerWaalsContact OD2-CD 3.32Å; D29-K32 WeakPolarHBondContact OD2-CD 3.38Å; D29-K32 WeakPolarHBondContact OD2-CG 3.36Å; D29-K32 IonicContact OD2-NZ 2.6Å; D29-K32 PolarHBondContact OD2-NZ 3.44Å; D29-L33 WeakPolarHBondContact O-CB 3.31Å; D29-L33 PolarHBondContact O-N 2.91Å
30I90.4Very high87.5Confident13 Ų1351.5 Ų51.57%0.06726%0.263CS..Hα-helixtrans-66.5-33.6-176.9-57.6159.6000111.1G28 L33 K34 E78 M79 Y82G28-I30 PolarHBondContact O-N 3.47Å; I30-L33 PolarHBondContact O-N 3.41Å; I30-K34 HydrophobicContact CG2-CD 3.91Å; I30-K34 VanDerWaalsContact CG2-CE 3.44Å; I30-K34 HydrophobicContact CG2-CG 4.23Å; I30-K34 WeakPolarHBondContact O-CB 3.17Å; I30-K34 VanDerWaalsContact O-CG 3.31Å; I30-K34 WeakPolarHBondContact O-CG 3.4Å; I30-K34 PolarHBondContact O-N 3.5Å; I30-E78 HydrophobicContact CD1-CB 3.19Å; I30-E78 HydrophobicContact CD1-CG 4.42Å; I30-M79 HydrophobicContact CB-CE 4.26Å; I30-M79 HydrophobicContact CD1-CB 4.05Å; I30-M79 VanDerWaalsContact CD1-N 3.31Å; I30-M79 HydrophobicContact CG1-CB 3.89Å; I30-M79 HydrophobicContact CG1-CE 3.52Å; I30-M79 HydrophobicContact CG1-SD 3.99Å; I30-Y82 HydrophobicContact CG2-CD1 4.47Å; I30-Y82 HydrophobicContact CG2-CG 4.41Å
31S90.5Very high86.6Confident81 Ų8151.9 Ų51.957%0.56627%0.265SS*.Hα-helixtrans-63.5-50.2178.2-60.50000110.5D29 L33 K34 I35D29-S31 VanDerWaalsContact C-N 3.29Å; D29-S31 PolarHBondContact O-N 3.39Å; S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 2.9Å; S31-K34 PolarHBondContact O-N 3.36Å; S31-I35 WeakPolarHBondContact O-CD1 3.16Å; S31-I35 VanDerWaalsContact O-CG1 3.26Å; S31-I35 WeakPolarHBondContact O-CG1 3.36Å; S31-I35 PolarHBondContact O-N 3.43Å
32K90.2Very high85.4Confident122 Ų12254.8 Ų54.853%0.5329%0.289SS..Hα-helixtrans-64.5-34.9173.6-70-169.7-171.7830112.6L24 D29 I35 L36L24-K32 HydrophobicContact CD1-CB 4.22Å; L24-K32 HydrophobicContact CD2-CB 3.67Å; L24-K32 HydrophobicContact CD2-CD 4.16Å; D29-K32 HydrophobicContact CB-CB 4.42Å; D29-K32 PolarHBondContact O-N 3.13Å; D29-K32 WeakPolarHBondContact OD1-CB 3.43Å; D29-K32 WeakPolarHBondContact OD1-CG 3.43Å; D29-K32 PolarHBondContact OD1-N 3.05Å; D29-K32 VanDerWaalsContact OD2-CD 3.32Å; D29-K32 WeakPolarHBondContact OD2-CD 3.38Å; D29-K32 WeakPolarHBondContact OD2-CG 3.36Å; D29-K32 IonicContact OD2-NZ 2.6Å; D29-K32 PolarHBondContact OD2-NZ 3.44Å; K32-I35 PolarHBondContact O-N 3.38Å; K32-L36 VanDerWaalsContact O-CB 3.31Å; K32-L36 WeakPolarHBondContact O-CB 3.09Å; K32-L36 PolarHBondContact O-N 3.29Å
33L88.7Confident83.9Confident1 Ų155.2 Ų55.21%0.00529%0.294CS..Hα-helixtrans-66.6-41.4177-172.266.7000112.4I21 L24 V25 D29 I30 S31 L36 F37 M79 Y82I21-L33 HydrophobicContact CG1-CD1 4.35Å; I21-L33 HydrophobicContact CG2-CD1 4.16Å; L24-L33 HydrophobicContact CB-CB 4.43Å; L24-L33 HydrophobicContact CB-CD1 4.29Å; L24-L33 HydrophobicContact CD1-CB 4.34Å; L24-L33 HydrophobicContact CD1-CD1 4.18Å; V25-L33 HydrophobicContact CG2-CD2 4.1Å; D29-L33 WeakPolarHBondContact O-CB 3.31Å; D29-L33 PolarHBondContact O-N 2.91Å; I30-L33 PolarHBondContact O-N 3.41Å; S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 2.9Å; L33-L36 PolarHBondContact O-N 3.26Å; L33-F37 HydrophobicContact CD1-CE1 4.23Å; L33-F37 HydrophobicContact CD1-CE2 3.77Å; L33-F37 HydrophobicContact CD1-CZ 3.58Å; L33-F37 HydrophobicContact CD2-CE2 4.02Å; L33-F37 HydrophobicContact CD2-CZ 4.44Å; L33-F37 HydrophobicContact CG-CD2 4.18Å; L33-F37 HydrophobicContact CG-CE2 3.57Å; L33-F37 HydrophobicContact CG-CZ 3.95Å; L33-F37 WeakPolarHBondContact O-CD2 3.39Å; L33-F37 WeakPolarHBondContact O-CG 3.39Å; L33-F37 PolarHBondContact O-N 3.03Å; L33-F37 VanDerWaalsContact O-N 3.08Å; L33-M79 HydrophobicContact CB-CE 4.41Å; L33-M79 HydrophobicContact CD2-CE 3.8Å; L33-M79 HydrophobicContact CD2-SD 3.54Å; L33-M79 VanDerWaalsContact CD2-SD 3.54Å; L33-Y82 HydrophobicContact CD2-CD1 4.45Å; L33-Y82 HydrophobicContact CD2-CE1 4.41Å
34K87.1Confident82.2Confident90 Ų9052.1 Ų52.139%0.39128%0.283SS..Hα-helixtrans-63.7-46.2173.7-75.7168178.9164.70111.4I30 S31 L36 F37 Q38 Y82I30-K34 HydrophobicContact CG2-CD 3.91Å; I30-K34 VanDerWaalsContact CG2-CE 3.44Å; I30-K34 HydrophobicContact CG2-CG 4.23Å; I30-K34 WeakPolarHBondContact O-CB 3.17Å; I30-K34 VanDerWaalsContact O-CG 3.31Å; I30-K34 WeakPolarHBondContact O-CG 3.4Å; I30-K34 PolarHBondContact O-N 3.5Å; S31-K34 PolarHBondContact O-N 3.36Å; K34-L36 VanDerWaalsContact C-N 3.32Å; K34-L36 PolarHBondContact O-N 2.91Å; K34-F37 PolarHBondContact O-N 2.68Å; K34-Q38 WeakPolarHBondContact O-CB 3.42Å; K34-Q38 WeakPolarHBondContact O-CG 3.34Å; K34-Q38 PolarHBondContact O-N 2.95Å; K34-Y82 HydrophobicContact CG-CE1 4.41Å; K34-Y82 HydrophobicContact CG-CE2 4.3Å
35I86.6Confident80.3Confident91 Ų9157.1 Ų57.147%0.46732%0.32SS..Hα-helixtrans-59.8-43.5176.5-68.7164.4000110.5S31 K32 F37 Q38 L39S31-I35 WeakPolarHBondContact O-CD1 3.16Å; S31-I35 VanDerWaalsContact O-CG1 3.26Å; S31-I35 WeakPolarHBondContact O-CG1 3.36Å; S31-I35 PolarHBondContact O-N 3.43Å; K32-I35 PolarHBondContact O-N 3.38Å; I35-F37 PolarHBondContact O-N 2.86Å; I35-Q38 PolarHBondContact O-N 3.06Å; I35-L39 HydrophobicContact CG2-CD1 3.92Å; I35-L39 HydrophobicContact CG2-CG 4.37Å; I35-L39 WeakPolarHBondContact O-CG 3.35Å; I35-L39 PolarHBondContact O-N 3.31Å
36L84.9Confident78.5Confident14 Ų1461.6 Ų61.67%0.07335%0.351CS..Hα-helixtrans-59-47.7176.6-178.962.6000111.9F11 L17 I20 I21 L24 K32 L33 K34 Q38 L39 V40F11-L36 HydrophobicContact CE2-CD1 3.84Å; F11-L36 HydrophobicContact CZ-CD1 3.49Å; F11-L36 VanDerWaalsContact CZ-CD1 3.49Å; L17-L36 HydrophobicContact CD1-CD1 3.88Å; L17-L36 HydrophobicContact CD1-CD2 3.95Å; L17-L36 HydrophobicContact CD1-CG 4.16Å; I20-L36 HydrophobicContact CG2-CD2 3.88Å; I21-L36 HydrophobicContact CD1-CD2 4.49Å; I21-L36 HydrophobicContact CG1-CD2 3.64Å; L24-L36 HydrophobicContact CD1-CD2 3.85Å; K32-L36 VanDerWaalsContact O-CB 3.31Å; K32-L36 WeakPolarHBondContact O-CB 3.09Å; K32-L36 PolarHBondContact O-N 3.29Å; L33-L36 PolarHBondContact O-N 3.26Å; K34-L36 VanDerWaalsContact C-N 3.32Å; K34-L36 PolarHBondContact O-N 2.91Å; L36-Q38 VanDerWaalsContact C-N 3.35Å; L36-Q38 PolarHBondContact O-N 2.96Å; L36-L39 PolarHBondContact O-N 3.13Å; L36-V40 HydrophobicContact CD1-CG2 4.28Å; L36-V40 WeakPolarHBondContact O-CB 3.47Å; L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.4Å; L36-V40 PolarHBondContact O-N 3.43Å
37F81.8Confident76Confident12 Ų1262.7 Ų62.75%0.05337%0.371CS..Hα-helixtrans-68.3-30.9176-62.3-35.3000113.1I21 L33 K34 I35 N41 W51 L56 Y82 L87I21-F37 HydrophobicContact CD1-CE1 3.94Å; I21-F37 HydrophobicContact CG1-CE1 4.3Å; L33-F37 HydrophobicContact CD1-CE1 4.23Å; L33-F37 HydrophobicContact CD1-CE2 3.77Å; L33-F37 HydrophobicContact CD1-CZ 3.58Å; L33-F37 HydrophobicContact CD2-CE2 4.02Å; L33-F37 HydrophobicContact CD2-CZ 4.44Å; L33-F37 HydrophobicContact CG-CD2 4.18Å; L33-F37 HydrophobicContact CG-CE2 3.57Å; L33-F37 HydrophobicContact CG-CZ 3.95Å; L33-F37 WeakPolarHBondContact O-CD2 3.39Å; L33-F37 WeakPolarHBondContact O-CG 3.39Å; L33-F37 PolarHBondContact O-N 3.03Å; L33-F37 VanDerWaalsContact O-N 3.08Å; K34-F37 PolarHBondContact O-N 2.68Å; I35-F37 PolarHBondContact O-N 2.86Å; F37-N41 VanDerWaalsContact O-CB 3.23Å; F37-N41 WeakPolarHBondContact O-CB 3.48Å; F37-N41 PolarHBondContact O-N 3.15Å; F37-N41 PolarHBondContact O-ND2 3.13Å; F37-N41 VanDerWaalsContact O-ND2 3.1Å; F37-W51 HydrophobicContact CD1-CE3 4.39Å; F37-W51 AromaticContact CE1-CE3 3.95Å; F37-W51 HydrophobicContact CE1-CE3 3.95Å; F37-W51 HydrophobicContact CE1-CZ3 4.38Å; F37-L56 HydrophobicContact CE1-CD2 3.85Å; F37-L56 HydrophobicContact CZ-CD1 4.11Å; F37-L56 HydrophobicContact CZ-CD2 3.6Å; F37-Y82 HydrophobicContact CE2-CE1 4.35Å; F37-L87 HydrophobicContact CE2-CD1 4.06Å
38Q78.9Confident73.3Confident129 Ų12967.5 Ų67.560%0.60339%0.387SS*.Hα-helixtrans-66.8-43.9173.3-75.9172.9-49.800111.8K34 I35 L36 A42K34-Q38 WeakPolarHBondContact O-CB 3.42Å; K34-Q38 WeakPolarHBondContact O-CG 3.34Å; K34-Q38 PolarHBondContact O-N 2.95Å; I35-Q38 PolarHBondContact O-N 3.06Å; L36-Q38 VanDerWaalsContact C-N 3.35Å; L36-Q38 PolarHBondContact O-N 2.96Å; Q38-A42 VanDerWaalsContact O-CB 3.22Å; Q38-A42 WeakPolarHBondContact O-CB 3.16Å; Q38-A42 PolarHBondContact O-N 2.75Å
39L76.1Confident71.2Confident86 Ų8671.4 Ų71.445%0.4540%0.404SS..Hα-helixtrans-63.9-47.9176.5-70.1169.4000111.4L7 I35 L36 N41 A42 S43L7-L39 WeakPolarHBondContact CD1-O 3.47Å; L7-L39 HydrophobicContact CD2-CB 4.1Å; I35-L39 HydrophobicContact CG2-CD1 3.92Å; I35-L39 HydrophobicContact CG2-CG 4.37Å; I35-L39 WeakPolarHBondContact O-CG 3.35Å; I35-L39 PolarHBondContact O-N 3.31Å; L36-L39 PolarHBondContact O-N 3.13Å; L39-N41 VanDerWaalsContact C-N 3.34Å; L39-N41 PolarHBondContact O-N 2.84Å; L39-A42 PolarHBondContact O-N 2.81Å; L39-A42 VanDerWaalsContact O-N 3.07Å; L39-S43 PolarHBondContact O-N 3.28Å
40V72.6Confident69.2Low20 Ų2076.6 Ų76.612%0.12143%0.427CS..Hα-helixtrans-69-29.3-179.3174.80000112.7F11 L17 L36 A42 S43 W51F11-V40 HydrophobicContact CE2-CG2 4.26Å; L17-V40 HydrophobicContact CD2-CG2 4.4Å; L36-V40 HydrophobicContact CD1-CG2 4.28Å; L36-V40 WeakPolarHBondContact O-CB 3.47Å; L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.4Å; L36-V40 PolarHBondContact O-N 3.43Å; V40-A42 VanDerWaalsContact C-N 3.3Å; V40-S43 PolarHBondContact O-OG 3.25Å; V40-W51 VanDerWaalsContact CG1-CD1 3.48Å; V40-W51 HydrophobicContact CG1-CG 4.25Å; V40-W51 VanDerWaalsContact CG1-NE1 3.3Å
41N69Low67.7Low57 Ų5778 Ų7831%0.30543%0.431SS..Hα-helixtrans-80.3-9.3172.1-66.4-21.5000113.1F37 L39 N49 W51F37-N41 VanDerWaalsContact O-CB 3.23Å; F37-N41 WeakPolarHBondContact O-CB 3.48Å; F37-N41 PolarHBondContact O-N 3.15Å; F37-N41 PolarHBondContact O-ND2 3.13Å; F37-N41 VanDerWaalsContact O-ND2 3.1Å; L39-N41 VanDerWaalsContact C-N 3.34Å; L39-N41 PolarHBondContact O-N 2.84Å; N41-N49 PolarHBondContact OD1-O 3.49Å; N41-W51 PolarHBondContact OD1-N 2.99Å
42A64.6Low66.3Low61 Ų6177.3 Ų77.350%0.50443%0.426SS..Hα-helixtrans-98.9-10.6-175.700000114.2Q38 L39 V40Q38-A42 VanDerWaalsContact O-CB 3.22Å; Q38-A42 WeakPolarHBondContact O-CB 3.16Å; Q38-A42 PolarHBondContact O-N 2.75Å; L39-A42 PolarHBondContact O-N 2.81Å; L39-A42 VanDerWaalsContact O-N 3.07Å; V40-A42 VanDerWaalsContact C-N 3.3Å
43S59.7Low65.1Low25 Ų2574 Ų7418%0.17542%0.418CS..Hα-helixtrans-70.4-39.7166.945.30000112L39 V40 S45L39-S43 PolarHBondContact O-N 3.28Å; V40-S43 PolarHBondContact O-OG 3.25Å; S43-S45 VanDerWaalsContact C-N 3.29Å; S43-S45 PolarHBondContact O-N 3.26Å
44D55Low64.3Low57 Ų5777.2 Ų77.231%0.30544%0.44SS..  trans-84.569.5-168.5-68.539.8000110.9S46 N49D44-S46 PolarHBondContact O-N 2.92Å; D44-S46 VanDerWaalsContact O-N 3.1Å; D44-N49 HydrophobicContact CB-CB 4.04Å; D44-N49 WeakPolarHBondContact OD2-CB 3.5Å; D44-N49 PolarHBondContact OD2-ND2 2.81Å
45S54.4Low63.8Low127 Ų12776.5 Ų76.589%0.88844%0.438SS*.  trans-65.1-7.2173.2630000113.6S43S43-S45 VanDerWaalsContact C-N 3.29Å; S43-S45 PolarHBondContact O-N 3.26Å
46S54Low63.6Low93 Ų9372.2 Ų72.265%0.6542%0.416SS*.SBendtrans-101.9100.4170.3169.80000111.1D44D44-S46 PolarHBondContact O-N 2.92Å; D44-S46 VanDerWaalsContact O-N 3.1Å
47C39Very low63.3Low107 Ų10772.6 Ų72.672%0.72342%0.421SS*.SBendtrans40.6108.7149.7-156.90000118.8
48M35.1Very low63.4Low171 Ų17178.5 Ų78.584%0.84245%0.448SS*.  trans73.528.2155.7-61.3-67.5-169.500119.5
49N44.5Very low63.7Low100 Ų10072.5 Ų72.554%0.53542%0.421SS..  trans-10740.7168.4-95.4-10.5000114.5N41 D44 W51N41-N49 PolarHBondContact OD1-O 3.49Å; D44-N49 HydrophobicContact CB-CB 4.04Å; D44-N49 WeakPolarHBondContact OD2-CB 3.5Å; D44-N49 PolarHBondContact OD2-ND2 2.81Å; N49-W51 PolarHBondContact O-N 3.38Å; N49-W51 VanDerWaalsContact O-N 3.13Å
50Q50.5Low64.4Low152 Ų15273.1 Ų73.171%0.7142%0.42SS*.SBendtrans-57.2121.1158.9173.817464.500107.8C52Q50-C52 WeakPolarHBondContact O-CA 3.48Å; Q50-C52 PolarHBondContact O-N 2.95Å; Q50-C52 PolarHBondContact O-SG 3.16Å
51W59.5Low65.2Low41 Ų4173.1 Ų73.116%0.15542%0.419CS..  trans-5395.9-172-118.458.6000112.8L17 I21 F37 V40 N41 N49 K55 L56 I59L17-W51 HydrophobicContact CD2-CH2 3.95Å; L17-W51 HydrophobicContact CD2-CZ2 3.5Å; L17-W51 VanDerWaalsContact CD2-CZ2 3.5Å; L17-W51 HydrophobicContact CG-CH2 4.07Å; L17-W51 HydrophobicContact CG-CZ2 4.14Å; I21-W51 HydrophobicContact CD1-CE3 4.23Å; I21-W51 HydrophobicContact CD1-CH2 3.61Å; I21-W51 HydrophobicContact CD1-CZ3 3.32Å; F37-W51 HydrophobicContact CD1-CE3 4.39Å; F37-W51 AromaticContact CE1-CE3 3.95Å; F37-W51 HydrophobicContact CE1-CE3 3.95Å; F37-W51 HydrophobicContact CE1-CZ3 4.38Å; V40-W51 VanDerWaalsContact CG1-CD1 3.48Å; V40-W51 HydrophobicContact CG1-CG 4.25Å; V40-W51 VanDerWaalsContact CG1-NE1 3.3Å; N41-W51 PolarHBondContact OD1-N 2.99Å; N49-W51 PolarHBondContact O-N 3.38Å; N49-W51 VanDerWaalsContact O-N 3.13Å; W51-K55 HydrophobicContact CZ2-CD 4.34Å; W51-L56 HydrophobicContact CE3-CD1 4.5Å; W51-L56 HydrophobicContact CE3-CD2 3.67Å; W51-L56 HydrophobicContact CE3-CG 3.82Å; W51-L56 HydrophobicContact CZ3-CD2 3.73Å; W51-L56 HydrophobicContact CZ3-CG 4.25Å; W51-I59 HydrophobicContact CH2-CD1 4.15Å; W51-I59 HydrophobicContact CZ3-CD1 3.82Å
52C59.5Low66.2Low67 Ų6778.3 Ų78.345%0.45345%0.446SS..  trans-67.5149.7-160.9-86.50000112.7Q50 S54 K55 L56Q50-C52 WeakPolarHBondContact O-CA 3.48Å; Q50-C52 PolarHBondContact O-N 2.95Å; Q50-C52 PolarHBondContact O-SG 3.16Å; C52-S54 VanDerWaalsContact CB-OG 3.29Å; C52-S54 WeakPolarHBondContact CB-OG 3.41Å; C52-S54 PolarHBondContact O-N 3.25Å; C52-K55 PolarHBondContact O-N 2.75Å; C52-L56 PolarHBondContact O-N 3.06Å; C52-L56 VanDerWaalsContact O-N 3.13Å
53S66.3Low67.4Low53 Ų5381.4 Ų81.437%0.37145%0.449SS..Hα-helixtrans-55.2-22.7174.7-57.20000113.1A57 L87S53-A57 WeakPolarHBondContact O-CB 3.37Å; S53-A57 PolarHBondContact O-N 2.87Å; S53-L87 WeakPolarHBondContact CB-O 3.46Å; S53-L87 PolarHBondContact OG-O 2.87Å
54S71.2Confident68.9Low68 Ų6884.2 Ų84.248%0.47646%0.459SS..Hα-helixtrans-62-64.1168.646.70000112.2C52 L56 A57 E58C52-S54 VanDerWaalsContact CB-OG 3.29Å; C52-S54 WeakPolarHBondContact CB-OG 3.41Å; C52-S54 PolarHBondContact O-N 3.25Å; S54-L56 PolarHBondContact O-N 2.81Å; S54-A57 WeakPolarHBondContact O-CA 3.42Å; S54-A57 WeakPolarHBondContact O-CB 3.42Å; S54-A57 PolarHBondContact O-N 3.08Å; S54-E58 WeakPolarHBondContact O-CG 3.32Å; S54-E58 PolarHBondContact O-N 2.97Å
55K77.4Confident70.7Confident76 Ų7682.9 Ų82.933%0.3345%0.45SS..Hα-helixtrans-58.4-34.7-178.4-166.5162-172.1165.80111.7E14 W51 C52 I59E14-K55 WeakPolarHBondContact OE2-CE 3.37Å; E14-K55 IonicContact OE2-NZ 2.68Å; E14-K55 PolarHBondContact OE2-NZ 3.39Å; W51-K55 HydrophobicContact CZ2-CD 4.34Å; C52-K55 PolarHBondContact O-N 2.75Å; K55-I59 WeakPolarHBondContact O-CG1 3.46Å
56L80.8Confident72.5Confident1 Ų177.1 Ų77.11%0.00541%0.409CS..Hα-helixtrans-72.1-30.9172.6-76.7169.1000114.8F37 W51 C52 S54 E58 I59 L67 L87 L89F37-L56 HydrophobicContact CE1-CD2 3.85Å; F37-L56 HydrophobicContact CZ-CD1 4.11Å; F37-L56 HydrophobicContact CZ-CD2 3.6Å; W51-L56 HydrophobicContact CE3-CD1 4.5Å; W51-L56 HydrophobicContact CE3-CD2 3.67Å; W51-L56 HydrophobicContact CE3-CG 3.82Å; W51-L56 HydrophobicContact CZ3-CD2 3.73Å; W51-L56 HydrophobicContact CZ3-CG 4.25Å; C52-L56 PolarHBondContact O-N 3.06Å; C52-L56 VanDerWaalsContact O-N 3.13Å; S54-L56 PolarHBondContact O-N 2.81Å; L56-E58 VanDerWaalsContact C-N 3.34Å; L56-I59 HydrophobicContact CD2-CD1 4.3Å; L56-L67 HydrophobicContact CD2-CD1 3.82Å; L56-L87 HydrophobicContact CD1-CD1 4.27Å; L56-L87 HydrophobicContact CD1-CD2 3.93Å; L56-L89 HydrophobicContact CB-CD2 3.81Å
57A79.7Confident74.3Confident22 Ų2272.7 Ų72.718%0.18238%0.378CS..Hα-helixtrans-76.5-22.517500000113S53 S54 L89 P90S53-A57 WeakPolarHBondContact O-CB 3.37Å; S53-A57 PolarHBondContact O-N 2.87Å; S54-A57 WeakPolarHBondContact O-CA 3.42Å; S54-A57 WeakPolarHBondContact O-CB 3.42Å; S54-A57 PolarHBondContact O-N 3.08Å; A57-L89 HydrophobicContact CB-CD2 4.42Å; A57-P90 HydrophobicContact CB-CG 3.8Å
58E83Confident76.8Confident135 Ų13567.6 Ų67.663%0.63134%0.344SS*.Hα-helixtrans-76.6-25.7175.2-73.4160.9-157.700113.1S54 L56 K60S54-E58 WeakPolarHBondContact O-CG 3.32Å; S54-E58 PolarHBondContact O-N 2.97Å; L56-E58 VanDerWaalsContact C-N 3.34Å; E58-K60 PolarHBondContact O-N 3.22Å
59I87Confident79.6Confident4 Ų459.5 Ų59.52%0.02130%0.304CS..  trans-64.5118175.7-56.1-173.6000110.4K18 I21 I22 W51 K55 L56 N66 L67K18-I59 HydrophobicContact CB-CG2 4.39Å; K18-I59 HydrophobicContact CG-CD1 4.07Å; K18-I59 HydrophobicContact CG-CG1 4.12Å; K18-I59 HydrophobicContact CG-CG2 4.39Å; I21-I59 HydrophobicContact CD1-CD1 3.96Å; I21-I59 HydrophobicContact CG2-CD1 4.35Å; I22-I59 HydrophobicContact CD1-CG2 3.77Å; I22-I59 HydrophobicContact CG1-CG2 3.87Å; W51-I59 HydrophobicContact CH2-CD1 4.15Å; W51-I59 HydrophobicContact CZ3-CD1 3.82Å; K55-I59 WeakPolarHBondContact O-CG1 3.46Å; L56-I59 HydrophobicContact CD2-CD1 4.3Å; I59-N66 WeakPolarHBondContact O-CA 3.27Å; I59-L67 HydrophobicContact CB-CD2 4.26Å; I59-L67 HydrophobicContact CB-CG 4.29Å; I59-L67 HydrophobicContact CG2-CD2 3.81Å; I59-L67 HydrophobicContact CG2-CG 4.38Å
60K89.4Confident81.9Confident99 Ų9954.8 Ų54.843%0.4328%0.279SS..BIsolated β-bridgetrans-132.1153.9177.5-60.3172.7-157.3169.60111.6E58 Q64 R65E58-K60 PolarHBondContact O-N 3.22Å; K60-Q64 HydrophobicContact CD-CB 4.29Å; K60-R65 CarbonylContact C-O 3.56Å; K60-R65 WeakPolarHBondContact CA-O 3.36Å
61D90.1Very high83.9Confident19 Ų1947.6 Ų47.610%0.10225%0.245CC..  trans-83.9175163.483.69.3000112.7R26 K63 Q64 R65 I70R26-D61 IonicContact NH2-OD2 3.57Å; R26-D61 PolarHBondContact NH2-OD2 3.04Å; D61-K63 PolarHBondContact O-N 2.93Å; D61-K63 WeakPolarHBondContact OD1-CA 3.45Å; D61-K63 WeakPolarHBondContact OD1-CB 3.37Å; D61-K63 PolarHBondContact OD1-N 2.92Å; D61-Q64 WeakPolarHBondContact O-CA 3.1Å; D61-Q64 PolarHBondContact O-N 3.42Å; D61-R65 PolarHBondContact N-O 3.06Å; D61-R65 WeakPolarHBondContact OD1-CB 3.32Å; D61-I70 HydrophobicContact CB-CD1 4.14Å
62N89.7Confident85.6Confident166 Ų16645.6 Ų45.689%0.88824%0.237SC*.THydrogen-bonded Turntrans-56.7-6.2-179.1-46.464.1000114.7
63K90.6Very high87.2Confident126 Ų12644.9 Ų44.955%0.54823%0.226SC..THydrogen-bonded Turntrans-107.619.8173.9-52.8-162.9177.2-152.50112.6D61 R65 Q96D61-K63 PolarHBondContact O-N 2.93Å; D61-K63 WeakPolarHBondContact OD1-CA 3.45Å; D61-K63 WeakPolarHBondContact OD1-CB 3.37Å; D61-K63 PolarHBondContact OD1-N 2.92Å; K63-R65 HydrophobicContact CB-CG 4.1Å; K63-R65 PolarHBondContact O-N 3.43Å; K63-Q96 WeakPolarHBondContact O-CB 3.32Å; K63-Q96 PolarHBondContact O-N 3.04Å
64Q91.5Very high88.4Confident85 Ų8543.9 Ų43.940%0.39722%0.215SC..SBendtrans59.724.6-174.5-64.1-70-42.100113.8K60 D61 Q96K60-Q64 HydrophobicContact CD-CB 4.29Å; D61-Q64 WeakPolarHBondContact O-CA 3.1Å; D61-Q64 PolarHBondContact O-N 3.42Å; Q64-Q96 HydrophobicContact CB-CB 4.36Å; Q64-Q96 HydrophobicContact CG-CB 4.47Å
65R91.4Very high89.3Confident29 Ų2940.8 Ų40.811%0.10919%0.194CC..  trans-87115-177.3-67.4172.8176.7-150.4-7.2111.2K60 D61 K63 H69 I70 D95 I104K60-R65 CarbonylContact C-O 3.56Å; K60-R65 WeakPolarHBondContact CA-O 3.36Å; D61-R65 PolarHBondContact N-O 3.06Å; D61-R65 WeakPolarHBondContact OD1-CB 3.32Å; K63-R65 HydrophobicContact CB-CG 4.1Å; K63-R65 PolarHBondContact O-N 3.43Å; R65-H69 HydrophobicContact CB-CB 3.82Å; R65-H69 HydrophobicContact CG-CB 4.15Å; R65-I70 HydrophobicContact CB-CG1 4.24Å; R65-D95 HydrophobicContact CG-CB 3.58Å; R65-D95 IonicContact CZ-OD2 2.68Å; R65-D95 IonicContact NE-OD2 2.67Å; R65-D95 PolarHBondContact NE-OD2 2.91Å; R65-D95 IonicContact NH2-OD2 3.56Å; R65-D95 PolarHBondContact NH2-OD2 3.46Å; R65-I104 VanDerWaalsContact NH2-CD1 3.29Å
66N91.7Very high89.9Confident5 Ų538.9 Ų38.93%0.02719%0.186CC..BIsolated β-bridgetrans-64.8168.9171.278.84.8000112I59 L68 H69 I70 P90I59-N66 WeakPolarHBondContact O-CA 3.27Å; N66-L68 PolarHBondContact O-N 3.29Å; N66-L68 VanDerWaalsContact O-N 3.12Å; N66-L68 PolarHBondContact OD1-N 2.94Å; N66-L68 VanDerWaalsContact OD1-N 3.15Å; N66-H69 PolarHBondContact O-N 3.17Å; N66-H69 VanDerWaalsContact O-N 3.08Å; N66-H69 PolarHBondContact OD1-N 3.34Å; N66-H69 VanDerWaalsContact OD1-N 3.11Å; N66-H69 PolarHBondContact OD1-ND1 2.9Å; N66-I70 WeakPolarHBondContact O-CG1 3.31Å; N66-I70 PolarHBondContact O-N 3.49Å; N66-I70 VanDerWaalsContact O-N 3.13Å; N66-P90 PolarHBondContact ND2-O 3.46Å
67L92.2Very high90.5Very high1 Ų142.7 Ų42.71%0.00520%0.202CC..Hα-helixtrans-53-34.8-178.6-59.5-179.5000113.7I21 I22 V25 L56 I59 I70 A71 L83 L89I21-L67 HydrophobicContact CG2-CD1 3.78Å; I21-L67 HydrophobicContact CG2-CD2 3.92Å; I22-L67 HydrophobicContact CG1-CD2 3.98Å; V25-L67 WeakPolarHBondContact CG1-O 3.27Å; V25-L67 HydrophobicContact CG2-CD2 4.35Å; L56-L67 HydrophobicContact CD2-CD1 3.82Å; I59-L67 HydrophobicContact CB-CD2 4.26Å; I59-L67 HydrophobicContact CB-CG 4.29Å; I59-L67 HydrophobicContact CG2-CD2 3.81Å; I59-L67 HydrophobicContact CG2-CG 4.38Å; L67-I70 HydrophobicContact CD2-CD1 4.49Å; L67-I70 WeakPolarHBondContact O-CB 3.44Å; L67-I70 PolarHBondContact O-N 2.84Å; L67-A71 PolarHBondContact O-N 2.89Å; L67-L83 HydrophobicContact CB-CD2 4.09Å; L67-L83 HydrophobicContact CD1-CD2 4.44Å; L67-L89 HydrophobicContact CB-CD1 4.05Å; L67-L89 HydrophobicContact CD1-CD1 4.39Å
68L92.5Very high91.1Very high0 Ų048.4 Ų48.40%023%0.225CC..Hα-helixtrans-68.8-42.3178.4-176.260.7000112.6N66 I70 A71 C72 I80 L83 V84 V91 P101N66-L68 PolarHBondContact O-N 3.29Å; N66-L68 VanDerWaalsContact O-N 3.12Å; N66-L68 PolarHBondContact OD1-N 2.94Å; N66-L68 VanDerWaalsContact OD1-N 3.15Å; L68-I70 PolarHBondContact O-N 3.02Å; L68-A71 PolarHBondContact O-N 2.96Å; L68-C72 WeakPolarHBondContact O-CB 3.48Å; L68-C72 PolarHBondContact O-N 3.42Å; L68-C72 PolarHBondContact O-SG 3.23Å; L68-I80 HydrophobicContact CD1-CG2 4.12Å; L68-L83 HydrophobicContact CD1-CB 4.41Å; L68-V84 HydrophobicContact CD1-CG2 3.75Å; L68-V84 HydrophobicContact CD2-CG2 4.06Å; L68-V91 HydrophobicContact CD2-CB 4.29Å; L68-V91 HydrophobicContact CD2-CG1 4.35Å; L68-V91 HydrophobicContact CD2-CG2 3.92Å; L68-P101 HydrophobicContact CD2-CB 4.27Å; L68-P101 HydrophobicContact CD2-CG 4.01Å; L68-P101 HydrophobicContact CG-CB 4.17Å; L68-P101 HydrophobicContact CG-CG 4.2Å
69H93.7Very high91.6Very high1 Ų142 Ų421%0.00520%0.195CC..Hα-helixtrans-60.7-36171.5-67.186.2000111.5R65 N66 K73 K93 N99 P101 I104R65-H69 HydrophobicContact CB-CB 3.82Å; R65-H69 HydrophobicContact CG-CB 4.15Å; N66-H69 PolarHBondContact O-N 3.17Å; N66-H69 VanDerWaalsContact O-N 3.08Å; N66-H69 PolarHBondContact OD1-N 3.34Å; N66-H69 VanDerWaalsContact OD1-N 3.11Å; N66-H69 PolarHBondContact OD1-ND1 2.9Å; H69-K73 WeakPolarHBondContact O-CB 3.4Å; H69-K73 PolarHBondContact O-N 2.67Å; H69-K73 VanDerWaalsContact O-N 3.16Å; H69-K93 PolarHBondContact CE1-O 3.07Å; H69-K93 PolarHBondContact NE2-O 3.05Å; H69-N99 PolarHBondContact NE2-O 2.98Å; H69-P101 WeakPolarHBondContact NE2-CD 3.3Å; H69-I104 WeakPolarHBondContact O-CG2 3.31Å
70I92.7Very high91.8Very high1 Ų141.8 Ų41.81%0.00519%0.194CC..Hα-helixtrans-67.1-47.4176.4-60.6172.8000109.6I22 V25 R26 D61 R65 N66 L67 L68 C72 K73 Y74I22-I70 HydrophobicContact CG1-CD1 4.1Å; I22-I70 HydrophobicContact CG2-CD1 4.23Å; V25-I70 HydrophobicContact CG1-CB 4.16Å; V25-I70 HydrophobicContact CG1-CG2 3.98Å; R26-I70 HydrophobicContact CG-CG2 3.53Å; D61-I70 HydrophobicContact CB-CD1 4.14Å; R65-I70 HydrophobicContact CB-CG1 4.24Å; N66-I70 WeakPolarHBondContact O-CG1 3.31Å; N66-I70 PolarHBondContact O-N 3.49Å; N66-I70 VanDerWaalsContact O-N 3.13Å; L67-I70 HydrophobicContact CD2-CD1 4.49Å; L67-I70 WeakPolarHBondContact O-CB 3.44Å; L67-I70 PolarHBondContact O-N 2.84Å; L68-I70 PolarHBondContact O-N 3.02Å; I70-C72 PolarHBondContact O-N 3.24Å; I70-K73 WeakPolarHBondContact O-CB 3.44Å; I70-K73 PolarHBondContact O-N 3.08Å; I70-Y74 HydrophobicContact CG2-CE2 4.36Å; I70-Y74 VanDerWaalsContact O-CD2 3.24Å; I70-Y74 WeakPolarHBondContact O-CD2 3.49Å
71A93.3Very high92Very high0 Ų040.3 Ų40.30%019%0.189CC..Hα-helixtrans-60.4-46.717700000112.3V25 L67 L68 K73 Y74 G75 M79 I80 L83V25-A71 HydrophobicContact CG1-CB 3.92Å; L67-A71 PolarHBondContact O-N 2.89Å; L68-A71 PolarHBondContact O-N 2.96Å; A71-K73 VanDerWaalsContact C-N 3.25Å; A71-K73 PolarHBondContact O-N 3.03Å; A71-Y74 PolarHBondContact O-N 3.5Å; A71-G75 PolarHBondContact O-N 3.2Å; A71-M79 HydrophobicContact CB-CG 4.22Å; A71-I80 HydrophobicContact CB-CG1 3.61Å; A71-L83 HydrophobicContact CB-CD1 3.58Å
72C93.3Very high92Very high0 Ų041.4 Ų41.40%019%0.192CC..Hα-helixtrans-58.1-33.9177.3-66.80000113.2L68 I70 Y74 L105L68-C72 WeakPolarHBondContact O-CB 3.48Å; L68-C72 PolarHBondContact O-N 3.42Å; L68-C72 PolarHBondContact O-SG 3.23Å; I70-C72 PolarHBondContact O-N 3.24Å; C72-Y74 VanDerWaalsContact C-N 3.26Å; C72-Y74 PolarHBondContact O-N 3.1Å; C72-L105 HydrophobicContact CB-CB 4.13Å; C72-L105 HydrophobicContact CB-CD1 4.34Å
73K93Very high92Very high51 Ų5133.5 Ų33.522%0.22215%0.15CC..Hα-helixtrans-63.3-29.4176.2179.1-172.2170.9-155.90113.1H69 I70 A71 I104H69-K73 WeakPolarHBondContact O-CB 3.4Å; H69-K73 PolarHBondContact O-N 2.67Å; H69-K73 VanDerWaalsContact O-N 3.16Å; I70-K73 WeakPolarHBondContact O-CB 3.44Å; I70-K73 PolarHBondContact O-N 3.08Å; A71-K73 VanDerWaalsContact C-N 3.25Å; A71-K73 PolarHBondContact O-N 3.03Å; K73-I104 HydrophobicContact CB-CG2 3.83Å
74Y91.8Very high91.9Very high33 Ų3328.4 Ų28.413%0.12913%0.129CC..Hα-helixtrans-104.6-16.6-179.8-63.3-88.7000113.2R26 I70 A71 C72 H76 K126 C127 T128R26-Y74 HydrophobicContact CB-CD2 4.47Å; R26-Y74 HydrophobicContact CB-CE2 4.1Å; R26-Y74 HydrophobicContact CG-CD2 4.35Å; R26-Y74 HydrophobicContact CG-CE2 3.69Å; I70-Y74 HydrophobicContact CG2-CE2 4.36Å; I70-Y74 VanDerWaalsContact O-CD2 3.24Å; I70-Y74 WeakPolarHBondContact O-CD2 3.49Å; A71-Y74 PolarHBondContact O-N 3.5Å; C72-Y74 VanDerWaalsContact C-N 3.26Å; C72-Y74 PolarHBondContact O-N 3.1Å; Y74-H76 WeakPolarHBondContact CB-NE2 3.2Å; Y74-K126 HydrophobicContact CD1-CB 3.75Å; Y74-K126 WeakPolarHBondContact CD1-O 3.38Å; Y74-K126 HydrophobicContact CE1-CB 3.76Å; Y74-K126 HydrophobicContact CE1-CD 4.26Å; Y74-C127 CarbonylContact O-C 3.59Å; Y74-C127 WeakPolarHBondContact O-CA 3.14Å; Y74-T128 PolarHBondContact O-N 2.92Å; Y74-T128 PolarHBondContact O-OG1 3.31Å; Y74-T128 VanDerWaalsContact O-OG1 3.06Å
75G90.6Very high91.7Very high3 Ų328.8 Ų28.83%0.03113%0.13CC..THydrogen-bonded Turntrans80.715.4172.300000115.3A71 K77 T128A71-G75 PolarHBondContact O-N 3.2Å; G75-K77 PolarHBondContact O-N 3.13Å; G75-T128 WeakPolarHBondContact CA-OG1 3.14Å; G75-T128 PolarHBondContact O-OG1 2.86Å
76H91.2Very high91.4Very high36 Ų3635 Ų3517%0.16716%0.159CC..  trans-69.491-177.2-61.6-50.6000111.2R26 S27 G28 Y74 E78 M79 I80R26-H76 PolarHBondContact O-NE2 3.18Å; R26-H76 VanDerWaalsContact O-NE2 3.08Å; S27-H76 VanDerWaalsContact C-NE2 3.33Å; S27-H76 PolarHBondContact O-CE1 2.93Å; S27-H76 PolarHBondContact O-NE2 2.97Å; G28-H76 WeakPolarHBondContact CA-CD2 3.03Å; G28-H76 PolarHBondContact N-CD2 3.05Å; G28-H76 PolarHBondContact N-NE2 2.78Å; Y74-H76 WeakPolarHBondContact CB-NE2 3.2Å; H76-E78 PolarHBondContact O-N 2.97Å; H76-M79 HydrophobicContact CB-CB 3.77Å; H76-M79 WeakPolarHBondContact O-CB 3.35Å; H76-M79 PolarHBondContact O-N 3.19Å; H76-I80 WeakPolarHBondContact O-CG1 3.29Å; H76-I80 PolarHBondContact O-N 3.37Å
77K92.5Very high91.1Very high81 Ų8135.9 Ų35.935%0.35216%0.163SC..Hα-helixtrans-47-61.1-173.4-179.1174.1176.8178.40113.7G75 M79 I80 E81 E137 L138 I141G75-K77 PolarHBondContact O-N 3.13Å; K77-M79 PolarHBondContact O-N 3.25Å; K77-M79 VanDerWaalsContact O-N 3.15Å; K77-I80 WeakPolarHBondContact O-CB 3.44Å; K77-I80 PolarHBondContact O-N 3.07Å; K77-E81 WeakPolarHBondContact CE-OE1 3.34Å; K77-E81 HydrophobicContact CG-CG 4.49Å; K77-E81 VanDerWaalsContact CG-OE1 3.31Å; K77-E81 WeakPolarHBondContact CG-OE1 3.47Å; K77-E81 WeakPolarHBondContact O-CG 3.35Å; K77-E81 PolarHBondContact O-N 3.09Å; K77-E137 IonicContact NZ-OE1 3.45Å; K77-E137 IonicContact NZ-OE2 2.72Å; K77-E137 PolarHBondContact NZ-OE2 3.32Å; K77-L138 HydrophobicContact CB-CD2 3.73Å; K77-L138 HydrophobicContact CG-CD2 3.98Å; K77-I141 HydrophobicContact CG-CD1 4.01Å
78E91.9Very high90.7Very high142 Ų14245.5 Ų45.566%0.66420%0.199SC*.Hα-helixtrans-58-31.3-179.7-62.2172.4-155.200113.1I30 H76 Y82I30-E78 HydrophobicContact CD1-CB 3.19Å; I30-E78 HydrophobicContact CD1-CG 4.42Å; H76-E78 PolarHBondContact O-N 2.97Å; E78-Y82 VanDerWaalsContact O-CB 3.31Å; E78-Y82 WeakPolarHBondContact O-CB 3.42Å; E78-Y82 PolarHBondContact O-N 3.13Å
79M93Very high90.4Very high0 Ų045.8 Ų45.80%020%0.201CC..Hα-helixtrans-74.8-39.8178.8178.665.278.600110.3V25 I30 L33 A71 H76 K77 Y82 L83V25-M79 HydrophobicContact CG1-CG 4.42Å; V25-M79 HydrophobicContact CG2-SD 4.12Å; I30-M79 HydrophobicContact CB-CE 4.26Å; I30-M79 HydrophobicContact CD1-CB 4.05Å; I30-M79 VanDerWaalsContact CD1-N 3.31Å; I30-M79 HydrophobicContact CG1-CB 3.89Å; I30-M79 HydrophobicContact CG1-CE 3.52Å; I30-M79 HydrophobicContact CG1-SD 3.99Å; L33-M79 HydrophobicContact CB-CE 4.41Å; L33-M79 HydrophobicContact CD2-CE 3.8Å; L33-M79 HydrophobicContact CD2-SD 3.54Å; L33-M79 VanDerWaalsContact CD2-SD 3.54Å; A71-M79 HydrophobicContact CB-CG 4.22Å; H76-M79 HydrophobicContact CB-CB 3.77Å; H76-M79 WeakPolarHBondContact O-CB 3.35Å; H76-M79 PolarHBondContact O-N 3.19Å; K77-M79 PolarHBondContact O-N 3.25Å; K77-M79 VanDerWaalsContact O-N 3.15Å; M79-Y82 PolarHBondContact O-N 3.28Å; M79-L83 HydrophobicContact CG-CD1 3.95Å; M79-L83 WeakPolarHBondContact O-CB 3.44Å; M79-L83 WeakPolarHBondContact O-CD1 3.42Å; M79-L83 WeakPolarHBondContact O-CG 3.41Å; M79-L83 PolarHBondContact O-N 3.21Å; M79-L83 HydrophobicContact SD-CD1 4.25Å; M79-L83 HydrophobicContact SD-CG 4.43Å
80I92.9Very high89.9Confident0 Ų047.6 Ų47.60%021%0.212CC..Hα-helixtrans-64.1-46.2173.5-67.2164.4000109.7L68 A71 H76 K77 Y82 L83 V84 L138 I141 V142L68-I80 HydrophobicContact CD1-CG2 4.12Å; A71-I80 HydrophobicContact CB-CG1 3.61Å; H76-I80 WeakPolarHBondContact O-CG1 3.29Å; H76-I80 PolarHBondContact O-N 3.37Å; K77-I80 WeakPolarHBondContact O-CB 3.44Å; K77-I80 PolarHBondContact O-N 3.07Å; I80-Y82 VanDerWaalsContact C-N 3.35Å; I80-Y82 PolarHBondContact O-N 3.24Å; I80-L83 PolarHBondContact O-N 2.71Å; I80-V84 HydrophobicContact CG2-CG2 4.5Å; I80-V84 WeakPolarHBondContact O-CB 3.45Å; I80-V84 WeakPolarHBondContact O-CG2 3.24Å; I80-V84 PolarHBondContact O-N 3.45Å; I80-L138 HydrophobicContact CD1-CD2 3.79Å; I80-I141 HydrophobicContact CG2-CG2 3.89Å; I80-V142 HydrophobicContact CG2-CG2 3.44Å; I80-V142 VanDerWaalsContact CG2-CG2 3.44Å
81E91.6Very high89.6Confident67 Ų6748 Ų4831%0.31322%0.215SC..Hα-helixtrans-58.9-43.1174.7-70.1173.4-175.700112.2K77 H85 I141K77-E81 WeakPolarHBondContact CE-OE1 3.34Å; K77-E81 HydrophobicContact CG-CG 4.49Å; K77-E81 VanDerWaalsContact CG-OE1 3.31Å; K77-E81 WeakPolarHBondContact CG-OE1 3.47Å; K77-E81 WeakPolarHBondContact O-CG 3.35Å; K77-E81 PolarHBondContact O-N 3.09Å; E81-H85 WeakPolarHBondContact O-CB 3.29Å; E81-H85 PolarHBondContact O-N 3.14Å; E81-I141 HydrophobicContact CB-CG2 4.47Å; E81-I141 HydrophobicContact CG-CD1 3.65Å; E81-I141 HydrophobicContact CG-CG1 4.08Å; E81-I141 HydrophobicContact CG-CG2 3.83Å; E81-I141 WeakPolarHBondContact OE1-CD1 3.4Å
82Y90.2Very high89.2Confident42 Ų4251.7 Ų51.717%0.16524%0.237CC..Iπ-helixtrans-64.9-45177-173.9-111.7000112.1I30 L33 K34 F37 E78 M79 I80 V84 K86 L87I30-Y82 HydrophobicContact CG2-CD1 4.47Å; I30-Y82 HydrophobicContact CG2-CG 4.41Å; L33-Y82 HydrophobicContact CD2-CD1 4.45Å; L33-Y82 HydrophobicContact CD2-CE1 4.41Å; K34-Y82 HydrophobicContact CG-CE1 4.41Å; K34-Y82 HydrophobicContact CG-CE2 4.3Å; F37-Y82 HydrophobicContact CE2-CE1 4.35Å; E78-Y82 VanDerWaalsContact O-CB 3.31Å; E78-Y82 WeakPolarHBondContact O-CB 3.42Å; E78-Y82 PolarHBondContact O-N 3.13Å; M79-Y82 PolarHBondContact O-N 3.28Å; I80-Y82 VanDerWaalsContact C-N 3.35Å; I80-Y82 PolarHBondContact O-N 3.24Å; Y82-V84 PolarHBondContact O-N 3.1Å; Y82-K86 HydrophobicContact CD2-CB 3.71Å; Y82-K86 HydrophobicContact CD2-CG 3.72Å; Y82-K86 HydrophobicContact CE2-CB 3.82Å; Y82-K86 HydrophobicContact CE2-CG 4.06Å; Y82-K86 HydrophobicContact CG-CB 4.49Å; Y82-K86 WeakPolarHBondContact O-CB 3.46Å; Y82-K86 PolarHBondContact O-N 2.86Å; Y82-K86 VanDerWaalsContact O-N 3.13Å; Y82-L87 HydrophobicContact CD1-CD1 3.84Å; Y82-L87 HydrophobicContact CD1-CG 4.39Å; Y82-L87 HydrophobicContact CE1-CD1 3.59Å; Y82-L87 HydrophobicContact CE1-CG 4.07Å; Y82-L87 PolarHBondContact O-N 3.29Å
83L90Very high89Confident1 Ų157.8 Ų57.81%0.00526%0.264CS..Iπ-helixtrans-65.3-36.3178.3-69.8163.7000112.7V25 L67 L68 A71 M79 I80 L87 R88 L89V25-L83 HydrophobicContact CG1-CD1 4.19Å; L67-L83 HydrophobicContact CB-CD2 4.09Å; L67-L83 HydrophobicContact CD1-CD2 4.44Å; L68-L83 HydrophobicContact CD1-CB 4.41Å; A71-L83 HydrophobicContact CB-CD1 3.58Å; M79-L83 HydrophobicContact CG-CD1 3.95Å; M79-L83 WeakPolarHBondContact O-CB 3.44Å; M79-L83 WeakPolarHBondContact O-CD1 3.42Å; M79-L83 WeakPolarHBondContact O-CG 3.41Å; M79-L83 PolarHBondContact O-N 3.21Å; M79-L83 HydrophobicContact SD-CD1 4.25Å; M79-L83 HydrophobicContact SD-CG 4.43Å; I80-L83 PolarHBondContact O-N 2.71Å; L83-L87 HydrophobicContact CD2-CD1 3.88Å; L83-R88 PolarHBondContact O-N 3.01Å; L83-L89 HydrophobicContact CB-CD1 4.27Å; L83-L89 HydrophobicContact CD2-CD1 3.52Å; L83-L89 HydrophobicContact CG-CD1 4.46Å; L83-L89 PolarHBondContact O-N 3.27Å; L83-L89 VanDerWaalsContact O-N 3.1Å
84V89.1Confident88.9Confident19 Ų1958.9 Ų58.912%0.11528%0.275CS..Iπ-helixtrans-83-58179.31760000111.9L68 I80 Y82 R88L68-V84 HydrophobicContact CD1-CG2 3.75Å; L68-V84 HydrophobicContact CD2-CG2 4.06Å; I80-V84 HydrophobicContact CG2-CG2 4.5Å; I80-V84 WeakPolarHBondContact O-CB 3.45Å; I80-V84 WeakPolarHBondContact O-CG2 3.24Å; I80-V84 PolarHBondContact O-N 3.45Å; Y82-V84 PolarHBondContact O-N 3.1Å; V84-R88 VanDerWaalsContact O-CA 3.24Å; V84-R88 WeakPolarHBondContact O-CA 3.11Å; V84-R88 PolarHBondContact O-N 3.21Å
85H87.3Confident88.9Confident92 Ų9257.6 Ų57.643%0.42627%0.27SS..Iπ-helixtrans-84.8-31-169.3-65.7-83.4000114.3E81 H144E81-H85 WeakPolarHBondContact O-CB 3.29Å; E81-H85 PolarHBondContact O-N 3.14Å; H85-H144 AromaticContact CE1-CD2 3.95Å
86K85.9Confident89.1Confident161 Ų16163.1 Ų63.170%0.730%0.295SS*.Iπ-helixtrans-95.8-46.5-180-58.4-58.2-173.2179.10112.2Y82Y82-K86 HydrophobicContact CD2-CB 3.71Å; Y82-K86 HydrophobicContact CD2-CG 3.72Å; Y82-K86 HydrophobicContact CE2-CB 3.82Å; Y82-K86 HydrophobicContact CE2-CG 4.06Å; Y82-K86 HydrophobicContact CG-CB 4.49Å; Y82-K86 WeakPolarHBondContact O-CB 3.46Å; Y82-K86 PolarHBondContact O-N 2.86Å; Y82-K86 VanDerWaalsContact O-N 3.13Å
87L84.2Confident89.1Confident23 Ų2364.1 Ų64.112%0.1231%0.307CS..THydrogen-bonded Turntrans-91-9.5-178.2-63.4171.2000114.3F37 S53 L56 Y82 L83 L89F37-L87 HydrophobicContact CE2-CD1 4.06Å; S53-L87 WeakPolarHBondContact CB-O 3.46Å; S53-L87 PolarHBondContact OG-O 2.87Å; L56-L87 HydrophobicContact CD1-CD1 4.27Å; L56-L87 HydrophobicContact CD1-CD2 3.93Å; Y82-L87 HydrophobicContact CD1-CD1 3.84Å; Y82-L87 HydrophobicContact CD1-CG 4.39Å; Y82-L87 HydrophobicContact CE1-CD1 3.59Å; Y82-L87 HydrophobicContact CE1-CG 4.07Å; Y82-L87 PolarHBondContact O-N 3.29Å; L83-L87 HydrophobicContact CD2-CD1 3.88Å; L87-L89 VanDerWaalsContact C-N 3.26Å; L87-L89 HydrophobicContact CB-CD2 4.39Å; L87-L89 HydrophobicContact CB-CG 4.17Å; L87-L89 PolarHBondContact O-N 3.01Å
88R84.5Confident89.1Confident203 Ų20360.8 Ų60.877%0.76630%0.295SS*.  trans52.837.5175-60.2-177177.5178.8-0.3114L83 V84L83-R88 PolarHBondContact O-N 3.01Å; V84-R88 VanDerWaalsContact O-CA 3.24Å; V84-R88 WeakPolarHBondContact O-CA 3.11Å; V84-R88 PolarHBondContact O-N 3.21Å
89L85.4Confident89.2Confident5 Ų554.5 Ų54.53%0.02627%0.266CS..  trans-67.9144.2-177.9-62.6-170.7000112.2L56 A57 L67 L83 L87 V91L56-L89 HydrophobicContact CB-CD2 3.81Å; A57-L89 HydrophobicContact CB-CD2 4.42Å; L67-L89 HydrophobicContact CB-CD1 4.05Å; L67-L89 HydrophobicContact CD1-CD1 4.39Å; L83-L89 HydrophobicContact CB-CD1 4.27Å; L83-L89 HydrophobicContact CD2-CD1 3.52Å; L83-L89 HydrophobicContact CG-CD1 4.46Å; L83-L89 PolarHBondContact O-N 3.27Å; L83-L89 VanDerWaalsContact O-N 3.1Å; L87-L89 VanDerWaalsContact C-N 3.26Å; L87-L89 HydrophobicContact CB-CD2 4.39Å; L87-L89 HydrophobicContact CB-CG 4.17Å; L87-L89 PolarHBondContact O-N 3.01Å; L89-V91 PolarHBondContact O-N 2.87Å; L89-V91 VanDerWaalsContact O-N 3.16Å
90P83.7Confident89.1Confident39 Ų3954.5 Ų54.525%0.25327%0.266SS..  trans-71.2112.3-173.927.7-34.8000112.2A57 N66 T92 K93A57-P90 HydrophobicContact CB-CG 3.8Å; N66-P90 PolarHBondContact ND2-O 3.46Å; P90-T92 VanDerWaalsContact C-N 3.28Å; P90-T92 PolarHBondContact O-N 3.17Å; P90-K93 HydrophobicContact CB-CG 4.21Å; P90-K93 HydrophobicContact CG-CG 4.07Å
91V86.1Confident89.1Confident11 Ų1154.5 Ų54.57%0.06727%0.266CS..THydrogen-bonded Turntrans-66.7-29.8175-170.20000112L68 L89 K93 P101 V142 L143 L149L68-V91 HydrophobicContact CD2-CB 4.29Å; L68-V91 HydrophobicContact CD2-CG1 4.35Å; L68-V91 HydrophobicContact CD2-CG2 3.92Å; L89-V91 PolarHBondContact O-N 2.87Å; L89-V91 VanDerWaalsContact O-N 3.16Å; V91-K93 VanDerWaalsContact C-N 3.28Å; V91-K93 PolarHBondContact O-N 3.2Å; V91-P101 HydrophobicContact CG1-CG 4.23Å; V91-P101 WeakPolarHBondContact O-CD 3.37Å; V91-P101 WeakPolarHBondContact O-CG 3.23Å; V91-V142 HydrophobicContact CG1-CG1 4.17Å; V91-V142 WeakPolarHBondContact CG1-O 3.41Å; V91-V142 WeakPolarHBondContact CG2-O 3.38Å; V91-L143 HydrophobicContact CG1-CD2 4.46Å; V91-L149 HydrophobicContact CB-CD1 4.29Å; V91-L149 HydrophobicContact CG1-CD1 3.62Å
92T85.6Confident89.1Confident76 Ų7651.3 Ų51.347%0.46625%0.251SS..THydrogen-bonded Turntrans-75-6.8-17155.10000115.3P90 L149P90-T92 VanDerWaalsContact C-N 3.28Å; P90-T92 PolarHBondContact O-N 3.17Å; T92-L149 HydrophobicContact CG2-CD1 4.5Å; T92-L149 HydrophobicContact CG2-CD2 4.5Å
93K88.4Confident89.3Confident129 Ų12949.3 Ų49.356%0.56124%0.243SC*.  trans-74.9153.6175-60.5-61-174.9-179.30110.5H69 P90 V91H69-K93 PolarHBondContact CE1-O 3.07Å; H69-K93 PolarHBondContact NE2-O 3.05Å; P90-K93 HydrophobicContact CB-CG 4.21Å; P90-K93 HydrophobicContact CG-CG 4.07Å; V91-K93 VanDerWaalsContact C-N 3.28Å; V91-K93 PolarHBondContact O-N 3.2Å
94V91.5Very high89.5Confident74 Ų7449.4 Ų49.445%0.44824%0.243SC..  trans-121.4155.1178.3-63.50000112N99 N100V94-N99 CarbonylContact C-O 3.59Å; V94-N99 VanDerWaalsContact CA-O 3.26Å; V94-N99 WeakPolarHBondContact CA-O 3.36Å; V94-N100 HydrophobicContact CG1-CB 4.11Å
95D92.4Very high89.7Confident6 Ų648.5 Ų48.53%0.03224%0.238CC..  trans-78.2176.5174.294.9-21.1000113.4R65 S97 G98 N99R65-D95 HydrophobicContact CG-CB 3.58Å; R65-D95 IonicContact CZ-OD2 2.68Å; R65-D95 IonicContact NE-OD2 2.67Å; R65-D95 PolarHBondContact NE-OD2 2.91Å; R65-D95 IonicContact NH2-OD2 3.56Å; R65-D95 PolarHBondContact NH2-OD2 3.46Å; D95-S97 PolarHBondContact O-N 3.26Å; D95-S97 WeakPolarHBondContact OD1-CA 3.39Å; D95-S97 WeakPolarHBondContact OD1-CB 3.44Å; D95-S97 PolarHBondContact OD1-N 2.9Å; D95-G98 PolarHBondContact O-N 3.26Å; D95-G98 PolarHBondContact OD1-N 3.38Å; D95-N99 PolarHBondContact N-O 2.87Å; D95-N99 WeakPolarHBondContact OD1-CB 3.24Å; D95-N99 PolarHBondContact OD1-N 3.26Å; D95-N99 VanDerWaalsContact OD1-N 3.08Å; D95-N99 PolarHBondContact OD1-ND2 3.08Å
96Q93.1Very high90Very high118 Ų11844.1 Ų44.155%0.55122%0.218SC*.THydrogen-bonded Turntrans-55.2-25.9-177.7-173647.700113.7K63 Q64 K155K63-Q96 WeakPolarHBondContact O-CB 3.32Å; K63-Q96 PolarHBondContact O-N 3.04Å; Q64-Q96 HydrophobicContact CB-CB 4.36Å; Q64-Q96 HydrophobicContact CG-CB 4.47Å; Q96-K155 WeakPolarHBondContact O-CE 3.32Å; Q96-K155 PolarHBondContact O-NZ 3.19Å
97S92.5Very high90.3Very high58 Ų5837.9 Ų37.941%0.40619%0.192SC..THydrogen-bonded Turntrans-969.4177.7-600000113.5D95 N99 K155D95-S97 PolarHBondContact O-N 3.26Å; D95-S97 WeakPolarHBondContact OD1-CA 3.39Å; D95-S97 WeakPolarHBondContact OD1-CB 3.44Å; D95-S97 PolarHBondContact OD1-N 2.9Å; S97-N99 VanDerWaalsContact C-N 3.32Å; S97-N99 WeakPolarHBondContact CB-ND2 3.48Å; S97-K155 WeakPolarHBondContact O-CB 3.45Å; S97-K155 PolarHBondContact O-N 3.37Å
98G92.2Very high90.6Very high10 Ų1038.7 Ų38.710%0.10320%0.195CC..SBendtrans77.611.2-179.700000114.6D95 N154D95-G98 PolarHBondContact O-N 3.26Å; D95-G98 PolarHBondContact OD1-N 3.38Å; G98-N154 WeakPolarHBondContact O-CA 3.36Å; G98-N154 WeakPolarHBondContact O-CB 3.48Å
99N93.3Very high90.9Very high10 Ų1029 Ų295%0.05316%0.158CC..  trans-76.3127.2176.7-59.6-74.8000109.6H69 V94 D95 S97 H103 I104 N154H69-N99 PolarHBondContact NE2-O 2.98Å; V94-N99 CarbonylContact C-O 3.59Å; V94-N99 VanDerWaalsContact CA-O 3.26Å; V94-N99 WeakPolarHBondContact CA-O 3.36Å; D95-N99 PolarHBondContact N-O 2.87Å; D95-N99 WeakPolarHBondContact OD1-CB 3.24Å; D95-N99 PolarHBondContact OD1-N 3.26Å; D95-N99 VanDerWaalsContact OD1-N 3.08Å; D95-N99 PolarHBondContact OD1-ND2 3.08Å; S97-N99 VanDerWaalsContact C-N 3.32Å; S97-N99 WeakPolarHBondContact CB-ND2 3.48Å; N99-H103 HydrophobicContact CB-CB 3.72Å; N99-I104 HydrophobicContact CB-CD1 3.51Å; N99-I104 HydrophobicContact CB-CG1 3.86Å; N99-N154 PolarHBondContact OD1-ND2 3.02Å
100N92.1Very high91.1Very high1 Ų129.1 Ų29.11%0.00516%0.159CC..  trans-76.7174.2161.169.327.6000110.5V94 G102 H103 I104 L149 V160V94-N100 HydrophobicContact CG1-CB 4.11Å; N100-G102 VanDerWaalsContact C-N 3.27Å; N100-G102 PolarHBondContact O-N 3.46Å; N100-G102 PolarHBondContact OD1-N 2.68Å; N100-G102 VanDerWaalsContact OD1-N 3.11Å; N100-H103 PolarHBondContact N-ND1 2.61Å; N100-H103 PolarHBondContact ND2-ND1 2.84Å; N100-H103 WeakPolarHBondContact O-CB 3.28Å; N100-H103 PolarHBondContact O-N 3.02Å; N100-H103 PolarHBondContact OD1-N 3.41Å; N100-H103 PolarHBondContact OD1-ND1 3.35Å; N100-I104 PolarHBondContact O-N 2.9Å; N100-L149 PolarHBondContact ND2-O 3.08Å; N100-V160 WeakPolarHBondContact OD1-CG2 3.31Å
101P92.2Very high91.3Very high0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-58.4-34.9-179.5-28.437.4000114.2L68 H69 V91 I104 L105 V142L68-P101 HydrophobicContact CD2-CB 4.27Å; L68-P101 HydrophobicContact CD2-CG 4.01Å; L68-P101 HydrophobicContact CG-CB 4.17Å; L68-P101 HydrophobicContact CG-CG 4.2Å; H69-P101 WeakPolarHBondContact NE2-CD 3.3Å; V91-P101 HydrophobicContact CG1-CG 4.23Å; V91-P101 WeakPolarHBondContact O-CD 3.37Å; V91-P101 WeakPolarHBondContact O-CG 3.23Å; P101-I104 PolarHBondContact O-N 3.26Å; P101-L105 WeakPolarHBondContact O-CB 3.48Å; P101-L105 PolarHBondContact O-N 3.37Å; P101-V142 HydrophobicContact CB-CG1 3.69Å
102G92.4Very high91.3Very high0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-64.2-41.617700000113.4N100 I104 L105 L106N100-G102 VanDerWaalsContact C-N 3.27Å; N100-G102 PolarHBondContact O-N 3.46Å; N100-G102 PolarHBondContact OD1-N 2.68Å; N100-G102 VanDerWaalsContact OD1-N 3.11Å; G102-I104 VanDerWaalsContact C-N 3.34Å; G102-I104 PolarHBondContact O-N 2.87Å; G102-L105 PolarHBondContact O-N 3.25Å; G102-L106 PolarHBondContact O-N 3.08Å
103H94Very high91.3Very high0 Ų029.7 Ų29.70%015%0.151CC..Hα-helixtrans-57.4-47.4170.7-72.487.9000111.1N99 N100 L105 L106 I107 I152 N154 L158 V160 L163N99-H103 HydrophobicContact CB-CB 3.72Å; N100-H103 PolarHBondContact N-ND1 2.61Å; N100-H103 PolarHBondContact ND2-ND1 2.84Å; N100-H103 WeakPolarHBondContact O-CB 3.28Å; N100-H103 PolarHBondContact O-N 3.02Å; N100-H103 PolarHBondContact OD1-N 3.41Å; N100-H103 PolarHBondContact OD1-ND1 3.35Å; H103-L105 PolarHBondContact O-N 3.13Å; H103-L106 PolarHBondContact O-N 3.11Å; H103-I107 HydrophobicContact CB-CD1 4.34Å; H103-I107 WeakPolarHBondContact O-CB 3.49Å; H103-I107 WeakPolarHBondContact O-CD1 3.42Å; H103-I107 WeakPolarHBondContact O-CG1 3.44Å; H103-I107 PolarHBondContact O-N 3.12Å; H103-I152 PolarHBondContact CE1-O 3.11Å; H103-I152 PolarHBondContact NE2-O 3.27Å; H103-N154 PolarHBondContact NE2-N 3.16Å; H103-L158 PolarHBondContact NE2-O 3.49Å; H103-V160 VanDerWaalsContact CE1-CG2 3.41Å; H103-V160 WeakPolarHBondContact CE1-CG2 3.49Å; H103-V160 WeakPolarHBondContact ND1-CG2 3.43Å; H103-L163 HydrophobicContact CB-CD1 4.49Å
104I93.6Very high91.1Very high2 Ų226.1 Ų26.11%0.0114%0.136CC..Hα-helixtrans-65.3-40-177.9-63.1-53.3000111.7R65 H69 K73 N99 N100 P101 G102 H108R65-I104 VanDerWaalsContact NH2-CD1 3.29Å; H69-I104 WeakPolarHBondContact O-CG2 3.31Å; K73-I104 HydrophobicContact CB-CG2 3.83Å; N99-I104 HydrophobicContact CB-CD1 3.51Å; N99-I104 HydrophobicContact CB-CG1 3.86Å; N100-I104 PolarHBondContact O-N 2.9Å; P101-I104 PolarHBondContact O-N 3.26Å; G102-I104 VanDerWaalsContact C-N 3.34Å; G102-I104 PolarHBondContact O-N 2.87Å; I104-H108 WeakPolarHBondContact O-CB 2.97Å; I104-H108 PolarHBondContact O-CD2 2.98Å; I104-H108 PolarHBondContact O-N 3.2Å; I104-H108 VanDerWaalsContact O-N 3.16Å
105L93.5Very high90.6Very high0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-56.3-59.4174-176.170.2000110.7C72 P101 G102 H103 I107 H108 A109 I129 L138 L139C72-L105 HydrophobicContact CB-CB 4.13Å; C72-L105 HydrophobicContact CB-CD1 4.34Å; P101-L105 WeakPolarHBondContact O-CB 3.48Å; P101-L105 PolarHBondContact O-N 3.37Å; G102-L105 PolarHBondContact O-N 3.25Å; H103-L105 PolarHBondContact O-N 3.13Å; L105-I107 PolarHBondContact O-N 3.12Å; L105-H108 PolarHBondContact O-N 2.67Å; L105-A109 WeakPolarHBondContact O-CB 3.48Å; L105-A109 PolarHBondContact O-N 3.3Å; L105-I129 HydrophobicContact CD1-CD1 3.64Å; L105-I129 HydrophobicContact CG-CD1 4.46Å; L105-L138 HydrophobicContact CD1-CB 3.88Å; L105-L138 HydrophobicContact CD1-CD1 3.81Å; L105-L138 HydrophobicContact CD1-CG 4.48Å; L105-L138 HydrophobicContact CD2-CB 3.76Å; L105-L138 HydrophobicContact CG-CB 4.44Å; L105-L139 HydrophobicContact CD2-CB 4.18Å; L105-L139 HydrophobicContact CD2-CD1 3.99Å
106L92.7Very high89.6Confident0 Ų029.7 Ų29.70%016%0.159CC..Hα-helixtrans-67.6-39-175.1-63177.7000112.7G102 H103 H108 A109 L110 C135 V160 L163 L164 L167G102-L106 PolarHBondContact O-N 3.08Å; H103-L106 PolarHBondContact O-N 3.11Å; L106-H108 PolarHBondContact O-N 3.34Å; L106-A109 PolarHBondContact O-N 3Å; L106-L110 VanDerWaalsContact O-CB 3.29Å; L106-L110 WeakPolarHBondContact O-CB 3.34Å; L106-L110 WeakPolarHBondContact O-CD1 3.38Å; L106-L110 WeakPolarHBondContact O-CG 3.32Å; L106-L110 PolarHBondContact O-N 3.17Å; L106-C135 HydrophobicContact CD2-CB 4.34Å; L106-V160 HydrophobicContact CD1-CG1 3.55Å; L106-V160 WeakPolarHBondContact CD1-O 3.41Å; L106-L163 HydrophobicContact CB-CB 3.91Å; L106-L163 HydrophobicContact CD1-CB 4.01Å; L106-L164 HydrophobicContact CD1-CB 3.82Å; L106-L164 HydrophobicContact CD1-CD1 4.24Å; L106-L164 HydrophobicContact CD2-CD1 4.06Å; L106-L167 HydrophobicContact CD2-CD2 3.97Å
107I92.3Very high88.4Confident30 Ų3030.9 Ų30.915%0.15416%0.159CC..Hα-helixtrans-59.6-34.2174.7-72.8167.1000111.6H103 L105 K111 L163H103-I107 HydrophobicContact CB-CD1 4.34Å; H103-I107 WeakPolarHBondContact O-CB 3.49Å; H103-I107 WeakPolarHBondContact O-CD1 3.42Å; H103-I107 WeakPolarHBondContact O-CG1 3.44Å; H103-I107 PolarHBondContact O-N 3.12Å; L105-I107 PolarHBondContact O-N 3.12Å; I107-K111 HydrophobicContact CG2-CD 4.34Å; I107-K111 VanDerWaalsContact CG2-NZ 3.27Å; I107-K111 VanDerWaalsContact O-CD 3.23Å; I107-K111 WeakPolarHBondContact O-CD 3.28Å; I107-K111 WeakPolarHBondContact O-CG 3.29Å; I107-K111 PolarHBondContact O-N 2.86Å; I107-L163 HydrophobicContact CD1-CD1 4.16Å; I107-L163 HydrophobicContact CG1-CD1 3.81Å; I107-L163 HydrophobicContact CG1-CD2 4.02Å
108H90.6Very high87Confident41 Ų4137.6 Ų37.619%0.1918%0.176CC..Hα-helixtrans-85.2-35.9178-85.6-89.6000113.1I104 L105 L106 K111 S112I104-H108 WeakPolarHBondContact O-CB 2.97Å; I104-H108 PolarHBondContact O-CD2 2.98Å; I104-H108 PolarHBondContact O-N 3.2Å; I104-H108 VanDerWaalsContact O-N 3.16Å; L105-H108 PolarHBondContact O-N 2.67Å; L106-H108 PolarHBondContact O-N 3.34Å; H108-K111 PolarHBondContact O-N 3.38Å; H108-S112 PolarHBondContact O-N 3.03Å
109A90.9Very high85.5Confident0 Ų047.1 Ų47.10%022%0.215CC..Hα-helixtrans-57.4-54.4169.600000112.3L105 L106 K111 S112 I113 I129 C135 L167L105-A109 WeakPolarHBondContact O-CB 3.48Å; L105-A109 PolarHBondContact O-N 3.3Å; L106-A109 PolarHBondContact O-N 3Å; A109-K111 PolarHBondContact O-N 2.93Å; A109-S112 WeakPolarHBondContact O-CA 3.45Å; A109-S112 WeakPolarHBondContact O-CB 3.22Å; A109-S112 PolarHBondContact O-N 2.8Å; A109-I113 PolarHBondContact O-N 3.44Å; A109-I129 HydrophobicContact CB-CD1 4.1Å; A109-I129 HydrophobicContact CB-CG2 3.85Å; A109-C135 WeakPolarHBondContact CB-SG 3.27Å; A109-L167 HydrophobicContact CB-CD2 4.43Å
110L89.4Confident83.7Confident7 Ų753.7 Ų53.74%0.03724%0.243CC..Hα-helixtrans-53.3-40.6176.2-78.6162.8000111.7L106 K114 L163 E166 L167 Y170L106-L110 VanDerWaalsContact O-CB 3.29Å; L106-L110 WeakPolarHBondContact O-CB 3.34Å; L106-L110 WeakPolarHBondContact O-CD1 3.38Å; L106-L110 WeakPolarHBondContact O-CG 3.32Å; L106-L110 PolarHBondContact O-N 3.17Å; L110-K114 WeakPolarHBondContact O-CB 3.16Å; L110-K114 WeakPolarHBondContact O-CD 3.49Å; L110-K114 WeakPolarHBondContact O-CG 3.47Å; L110-K114 PolarHBondContact O-N 2.89Å; L110-L163 HydrophobicContact CD1-CB 4.22Å; L110-L163 HydrophobicContact CD1-CD2 3.82Å; L110-E166 WeakPolarHBondContact CD1-OE2 3.49Å; L110-E166 HydrophobicContact CD2-CB 4.26Å; L110-E166 HydrophobicContact CD2-CG 3.92Å; L110-E166 WeakPolarHBondContact CD2-OE2 3.42Å; L110-L167 HydrophobicContact CD2-CB 3.86Å; L110-L167 HydrophobicContact CD2-CD1 3.67Å; L110-L167 HydrophobicContact CD2-CG 4.38Å; L110-L167 HydrophobicContact CG-CB 4.3Å; L110-L167 HydrophobicContact CG-CD1 4Å; L110-Y170 HydrophobicContact CD2-CD2 4.43Å
111K88.6Confident81.8Confident121 Ų12165.2 Ų65.253%0.52629%0.286SS..Hα-helixtrans-69.3-39.2176.4-74.3169.1-171.2169.80112.7I107 H108 A109 A115I107-K111 HydrophobicContact CG2-CD 4.34Å; I107-K111 VanDerWaalsContact CG2-NZ 3.27Å; I107-K111 VanDerWaalsContact O-CD 3.23Å; I107-K111 WeakPolarHBondContact O-CD 3.28Å; I107-K111 WeakPolarHBondContact O-CG 3.29Å; I107-K111 PolarHBondContact O-N 2.86Å; H108-K111 PolarHBondContact O-N 3.38Å; A109-K111 PolarHBondContact O-N 2.93Å; K111-A115 WeakPolarHBondContact O-CB 3.49Å; K111-A115 PolarHBondContact O-N 2.76Å; K111-A115 VanDerWaalsContact O-N 3.09Å
112S86.6Confident79.7Confident4 Ų476.6 Ų76.63%0.02833%0.329CS..Hα-helixtrans-62.2-50.1175.2-142.20000110.7H108 A109 A115 N116 S125 I129H108-S112 PolarHBondContact O-N 3.03Å; A109-S112 WeakPolarHBondContact O-CA 3.45Å; A109-S112 WeakPolarHBondContact O-CB 3.22Å; A109-S112 PolarHBondContact O-N 2.8Å; S112-A115 WeakPolarHBondContact O-CB 3.33Å; S112-A115 PolarHBondContact O-N 3.45Å; S112-N116 PolarHBondContact O-N 2.89Å; S112-S125 WeakPolarHBondContact OG-CB 3.47Å; S112-S125 PolarHBondContact OG-OG 3.16Å; S112-I129 WeakPolarHBondContact CB-O 3.47Å; S112-I129 PolarHBondContact OG-O 3.17Å; S112-I129 VanDerWaalsContact OG-O 3.08Å
113I84.8Confident77.8Confident13 Ų1388.1 Ų88.17%0.06737%0.372CS..Hα-helixtrans-70.9-46.6-175.3-72.1159.6000111.3A109 A115 N116 Y117 I129 K130 L167A109-I113 PolarHBondContact O-N 3.44Å; I113-A115 PolarHBondContact O-N 3.31Å; I113-N116 WeakPolarHBondContact O-CB 3.46Å; I113-N116 PolarHBondContact O-N 2.99Å; I113-Y117 HydrophobicContact CG2-CD2 4.16Å; I113-Y117 HydrophobicContact CG2-CE2 3.77Å; I113-Y117 VanDerWaalsContact O-CD2 3.26Å; I113-Y117 WeakPolarHBondContact O-CD2 3.48Å; I113-Y117 PolarHBondContact O-N 2.61Å; I113-I129 HydrophobicContact CD1-CG2 4.49Å; I113-K130 WeakPolarHBondContact CG1-O 3.36Å; I113-L167 HydrophobicContact CD1-CD1 3.7Å
114K85.1Confident75.9Confident54 Ų5494.5 Ų94.524%0.23541%0.407CS..Hα-helixtrans-61.1-28.9172.9-70.6168.8172.3176.50112.6L110 R118 E166 Y170L110-K114 WeakPolarHBondContact O-CB 3.16Å; L110-K114 WeakPolarHBondContact O-CD 3.49Å; L110-K114 WeakPolarHBondContact O-CG 3.47Å; L110-K114 PolarHBondContact O-N 2.89Å; K114-R118 WeakPolarHBondContact O-CB 3.36Å; K114-R118 WeakPolarHBondContact O-CG 3.31Å; K114-R118 PolarHBondContact O-N 2.77Å; K114-E166 IonicContact NZ-OE1 2.8Å; K114-E166 PolarHBondContact NZ-OE1 3.38Å; K114-E166 IonicContact NZ-OE2 3.86Å; K114-E166 PolarHBondContact NZ-OE2 3.15Å; K114-Y170 HydrophobicContact CD-CE2 4.48Å; K114-Y170 WeakPolarHBondContact CE-OH 3.31Å; K114-Y170 HydrophobicContact CG-CE2 4.44Å
115A79.5Confident74.2Confident51 Ų5196.9 Ų96.942%0.42142%0.423SS..Hα-helixtrans-72.3-36.217300000112.6K111 S112 I113 R118K111-A115 WeakPolarHBondContact O-CB 3.49Å; K111-A115 PolarHBondContact O-N 2.76Å; K111-A115 VanDerWaalsContact O-N 3.09Å; S112-A115 WeakPolarHBondContact O-CB 3.33Å; S112-A115 PolarHBondContact O-N 3.45Å; I113-A115 PolarHBondContact O-N 3.31Å; A115-R118 CarbonylContact O-C 3.54Å; A115-R118 PolarHBondContact O-N 3.01Å
116N72.9Confident73.5Confident103 Ų103104.9 Ų104.955%0.55146%0.458SS*.Hα-helixtrans-63.5-40.4175.4-68.4-23.7000112.1S112 I113S112-N116 PolarHBondContact O-N 2.89Å; I113-N116 WeakPolarHBondContact O-CB 3.46Å; I113-N116 PolarHBondContact O-N 2.99Å
117Y66.7Low73Confident143 Ų143105.4 Ų105.456%0.56146%0.462SS*.Hα-helixtrans-67.4-35.2173.6-73.3-72.8000113.1I113 K119 Y170I113-Y117 HydrophobicContact CG2-CD2 4.16Å; I113-Y117 HydrophobicContact CG2-CE2 3.77Å; I113-Y117 VanDerWaalsContact O-CD2 3.26Å; I113-Y117 WeakPolarHBondContact O-CD2 3.48Å; I113-Y117 PolarHBondContact O-N 2.61Å; Y117-K119 PolarHBondContact O-N 3.39Å; Y117-Y170 PolarHBondContact OH-O 3.1Å
118R64.5Low72.7Confident200 Ų200107.2 Ų107.276%0.75547%0.474SS*.  trans-79.786178.9-73.4179.3174.2-165-2.6111.1K114 A115 K120K114-R118 WeakPolarHBondContact O-CB 3.36Å; K114-R118 WeakPolarHBondContact O-CG 3.31Å; K114-R118 PolarHBondContact O-N 2.77Å; A115-R118 CarbonylContact O-C 3.54Å; A115-R118 PolarHBondContact O-N 3.01Å; R118-K120 PolarHBondContact O-N 2.77Å
119K59.3Low72.6Confident210 Ų210105.4 Ų105.491%0.91347%0.466SS*.  trans-53.66.8179-59.7-179.2-179.5177.50117.4Y117Y117-K119 PolarHBondContact O-N 3.39Å
120K56Low72.3Confident148 Ų148112.9 Ų112.964%0.64350%0.498SS*.SBendtrans-90.1115.7175.5-77.5-179.9176.3176.90110.8R118 D221R118-K120 PolarHBondContact O-N 2.77Å; K120-D221 IonicContact NZ-OD1 2.61Å; K120-D221 PolarHBondContact NZ-OD1 2.95Å; K120-D221 IonicContact NZ-OD2 3.16Å; K120-D221 PolarHBondContact NZ-OD2 3.45Å
121R51.5Low72.1Confident242 Ų242114.6 Ų114.691%0.91351%0.508SS*.  trans43.8102.5166.2-67.1-177.4111.2133.9-0.1117R123R121-R123 PolarHBondContact O-N 3.1Å
122R49.4Very low72.2Confident240 Ų240109.1 Ų109.191%0.90648%0.484SS*.  trans-5494.2166.5-76.2178.5163.7143.1-6.7112.6
123R52.5Low72.3Confident242 Ų242110.6 Ų110.691%0.91349%0.491SS*.  trans-87.6106.1143-81.5-179.1166.9152-3.4105.7R121 S125R121-R123 PolarHBondContact O-N 3.1Å; R123-S125 PolarHBondContact O-N 2.94Å
124N52.5Low72.5Confident134 Ų134112.1 Ų112.172%0.71750%0.499SS*.  trans-52.6115-175.8-79.51.2000110.5K126N124-K126 PolarHBondContact O-N 2.87Å; N124-K126 VanDerWaalsContact O-N 3.17Å
125S59.4Low72.9Confident52 Ų52109.6 Ų109.636%0.36449%0.488SS..  trans-56.2120.2162.3-179.50000106.7S112 R123 C127S112-S125 WeakPolarHBondContact OG-CB 3.47Å; S112-S125 PolarHBondContact OG-OG 3.16Å; R123-S125 PolarHBondContact O-N 2.94Å; S125-C127 PolarHBondContact O-N 3.48Å; S125-C127 WeakPolarHBondContact OG-CB 3.35Å; S125-C127 PolarHBondContact OG-N 3.47Å
126K77.9Confident73.4Confident168 Ų168107.1 Ų107.173%0.7347%0.468SS*.SBendtrans-75.73.8173.8-65.2-167175-169.10112.2Y74 N124Y74-K126 HydrophobicContact CD1-CB 3.75Å; Y74-K126 WeakPolarHBondContact CD1-O 3.38Å; Y74-K126 HydrophobicContact CE1-CB 3.76Å; Y74-K126 HydrophobicContact CE1-CD 4.26Å; N124-K126 PolarHBondContact O-N 2.87Å; N124-K126 VanDerWaalsContact O-N 3.17Å
127C82.9Confident74.3Confident11 Ų11105.4 Ų105.47%0.07446%0.457CS..  trans-82124.9172.8-160.80000108.8Y74 S125 I129Y74-C127 CarbonylContact O-C 3.59Å; Y74-C127 WeakPolarHBondContact O-CA 3.14Å; S125-C127 PolarHBondContact O-N 3.48Å; S125-C127 WeakPolarHBondContact OG-CB 3.35Å; S125-C127 PolarHBondContact OG-N 3.47Å; C127-I129 PolarHBondContact O-N 3.23Å
128T86.4Confident75.5Confident67 Ų6798.9 Ų98.941%0.41143%0.432SS..  trans-68.9-20.6179520000113.3Y74 G75Y74-T128 PolarHBondContact O-N 2.92Å; Y74-T128 PolarHBondContact O-OG1 3.31Å; Y74-T128 VanDerWaalsContact O-OG1 3.06Å; G75-T128 WeakPolarHBondContact CA-OG1 3.14Å; G75-T128 PolarHBondContact O-OG1 2.86Å
129I87.3Confident76.8Confident3 Ų389.4 Ų89.42%0.01540%0.396CS..  trans-64.3126.6-177.9-56.6177.8000110.6L105 A109 S112 I113 C127 D134 C135 L138L105-I129 HydrophobicContact CD1-CD1 3.64Å; L105-I129 HydrophobicContact CG-CD1 4.46Å; A109-I129 HydrophobicContact CB-CD1 4.1Å; A109-I129 HydrophobicContact CB-CG2 3.85Å; S112-I129 WeakPolarHBondContact CB-O 3.47Å; S112-I129 PolarHBondContact OG-O 3.17Å; S112-I129 VanDerWaalsContact OG-O 3.08Å; I113-I129 HydrophobicContact CD1-CG2 4.49Å; C127-I129 PolarHBondContact O-N 3.23Å; I129-D134 HydrophobicContact CG2-CB 3.99Å; I129-C135 WeakPolarHBondContact CG2-SG 3.24Å; I129-L138 HydrophobicContact CD1-CD1 3.66Å; I129-L138 HydrophobicContact CG1-CD1 3.75Å
130K84.5Confident78.2Confident157 Ų15783.3 Ų83.368%0.68337%0.369SS*.  trans-115-33.9-176.7-61163.4-167.8164.40112.8I113 D134I113-K130 WeakPolarHBondContact CG1-O 3.36Å; K130-D134 WeakPolarHBondContact CA-OD2 3.45Å; K130-D134 WeakPolarHBondContact CB-OD2 3.29Å; K130-D134 PolarHBondContact N-OD2 3.4Å
131N86.8Confident79.7Confident44 Ų4477.1 Ų77.124%0.23534%0.343CS..SBendtrans-140.8-175.2-175.27123.2000113.5I133 D134 C135 E175N131-I133 WeakPolarHBondContact OD1-CB 3.35Å; N131-I133 PolarHBondContact OD1-N 2.76Å; N131-D134 PolarHBondContact N-OD2 3.09Å; N131-D134 PolarHBondContact OD1-N 3.35Å; N131-D134 PolarHBondContact OD1-OD1 3.09Å; N131-D134 PolarHBondContact OD1-OD2 2.9Å; N131-C135 PolarHBondContact O-SG 3.06Å; N131-E175 VanDerWaalsContact CB-OE1 3.31Å; N131-E175 WeakPolarHBondContact CB-OE1 3.48Å
132Y89Confident81.4Confident5 Ų565.6 Ų65.62%0.0230%0.3CS..Hα-helixtrans-73.7-34.1179.1-179.3-111.7000113.7D134 C135 C136 L164 L167 W168 S171 E175 D180Y132-D134 PolarHBondContact O-N 3.24Å; Y132-C135 WeakPolarHBondContact O-CA 3.49Å; Y132-C135 VanDerWaalsContact O-CB 3.28Å; Y132-C135 WeakPolarHBondContact O-CB 3.35Å; Y132-C135 PolarHBondContact O-N 3.22Å; Y132-C136 VanDerWaalsContact CE1-SG 3.54Å; Y132-C136 PolarHBondContact O-N 3.01Å; Y132-C136 PolarHBondContact O-SG 3.09Å; Y132-C136 VanDerWaalsContact O-SG 3.38Å; Y132-L164 HydrophobicContact CE2-CD1 3.83Å; Y132-L167 HydrophobicContact CD2-CB 4.38Å; Y132-L167 HydrophobicContact CD2-CD2 3.71Å; Y132-L167 HydrophobicContact CD2-CG 3.81Å; Y132-L167 HydrophobicContact CE2-CD2 4.32Å; Y132-L167 HydrophobicContact CE2-CG 4.49Å; Y132-W168 AromaticContact CE1-CD1 3.97Å; Y132-W168 HydrophobicContact CE2-CB 4.1Å; Y132-W168 AromaticContact CZ-CD1 3.74Å; Y132-S171 WeakPolarHBondContact CB-OG 3.28Å; Y132-E175 WeakPolarHBondContact CD1-O 3.43Å; Y132-D180 PolarHBondContact OH-OD1 2.96Å
133I89.3Confident83Confident35 Ų3554.2 Ų54.218%0.17926%0.257CS..Hα-helixtrans-61-48.1177.8-57.4169.8000109.8N131 C135 C136 E137 E175 I178 I182N131-I133 WeakPolarHBondContact OD1-CB 3.35Å; N131-I133 PolarHBondContact OD1-N 2.76Å; I133-C135 PolarHBondContact O-N 3.04Å; I133-C136 PolarHBondContact O-N 2.73Å; I133-C136 VanDerWaalsContact O-N 3.1Å; I133-E137 PolarHBondContact O-N 3.23Å; I133-E175 HydrophobicContact CD1-CB 4.46Å; I133-E175 HydrophobicContact CD1-CG 4.11Å; I133-E175 HydrophobicContact CG1-CB 4.31Å; I133-E175 HydrophobicContact CG1-CG 4.36Å; I133-I178 HydrophobicContact CD1-CB 4.03Å; I133-I178 HydrophobicContact CD1-CD1 3.93Å; I133-I178 HydrophobicContact CD1-CG2 3.87Å; I133-I178 HydrophobicContact CG1-CB 4.15Å; I133-I178 HydrophobicContact CG1-CG2 3.93Å; I133-I178 HydrophobicContact CG2-CG2 3.95Å; I133-I182 HydrophobicContact CG2-CD1 3.83Å
134D90.1Very high84.1Confident46 Ų4646.5 Ų46.525%0.24623%0.231CC..Hα-helixtrans-51.1-40.9172.3-61-31.2000111.3I129 K130 N131 Y132 L138I129-D134 HydrophobicContact CG2-CB 3.99Å; K130-D134 WeakPolarHBondContact CA-OD2 3.45Å; K130-D134 WeakPolarHBondContact CB-OD2 3.29Å; K130-D134 PolarHBondContact N-OD2 3.4Å; N131-D134 PolarHBondContact N-OD2 3.09Å; N131-D134 PolarHBondContact OD1-N 3.35Å; N131-D134 PolarHBondContact OD1-OD1 3.09Å; N131-D134 PolarHBondContact OD1-OD2 2.9Å; Y132-D134 PolarHBondContact O-N 3.24Å; D134-L138 WeakPolarHBondContact O-CB 3.19Å; D134-L138 WeakPolarHBondContact O-CG 3.16Å; D134-L138 PolarHBondContact O-N 3.48Å
135C91.6Very high85Confident0 Ų047.2 Ų47.20%023%0.228CC..Hα-helixtrans-69.9-43.6-179.6-60.30000111.8L106 A109 I129 N131 Y132 I133 L138 L139 L167L106-C135 HydrophobicContact CD2-CB 4.34Å; A109-C135 WeakPolarHBondContact CB-SG 3.27Å; I129-C135 WeakPolarHBondContact CG2-SG 3.24Å; N131-C135 PolarHBondContact O-SG 3.06Å; Y132-C135 WeakPolarHBondContact O-CA 3.49Å; Y132-C135 VanDerWaalsContact O-CB 3.28Å; Y132-C135 WeakPolarHBondContact O-CB 3.35Å; Y132-C135 PolarHBondContact O-N 3.22Å; I133-C135 PolarHBondContact O-N 3.04Å; C135-L138 PolarHBondContact O-N 3.43Å; C135-L139 VanDerWaalsContact O-CB 3.22Å; C135-L139 WeakPolarHBondContact O-CB 3.1Å; C135-L139 PolarHBondContact O-N 2.99Å; C135-L167 HydrophobicContact CB-CD2 3.69Å; C135-L167 WeakPolarHBondContact SG-CD2 3.26Å
136C91.1Very high85.9Confident0 Ų048.3 Ų48.30%023%0.227CC..Hα-helixtrans-68.8-37.8-178.6-670000112.1Y132 I133 L139 K140 I182 L183Y132-C136 VanDerWaalsContact CE1-SG 3.54Å; Y132-C136 PolarHBondContact O-N 3.01Å; Y132-C136 PolarHBondContact O-SG 3.09Å; Y132-C136 VanDerWaalsContact O-SG 3.38Å; I133-C136 PolarHBondContact O-N 2.73Å; I133-C136 VanDerWaalsContact O-N 3.1Å; C136-L139 PolarHBondContact O-N 3.27Å; C136-K140 WeakPolarHBondContact O-CB 3.21Å; C136-K140 PolarHBondContact O-N 2.93Å; C136-I182 HydrophobicContact CB-CB 4.22Å; C136-I182 HydrophobicContact CB-CG2 4.04Å; C136-L183 HydrophobicContact CB-CD2 3.87Å; C136-L183 HydrophobicContact CB-CG 3.92Å
137E90.8Very high86Confident67 Ų6742.2 Ų42.231%0.31321%0.205SC..Hα-helixtrans-59.7-50.3170.3-69.5-163.5151.100111.6K77 I133 L139 K140 I141 I182K77-E137 IonicContact NZ-OE1 3.45Å; K77-E137 IonicContact NZ-OE2 2.72Å; K77-E137 PolarHBondContact NZ-OE2 3.32Å; I133-E137 PolarHBondContact O-N 3.23Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 2.8Å; E137-K140 WeakPolarHBondContact O-CB 3.43Å; E137-K140 PolarHBondContact O-N 3.21Å; E137-I141 WeakPolarHBondContact O-CD1 3.46Å; E137-I141 WeakPolarHBondContact O-CG1 3.44Å; E137-I141 PolarHBondContact O-N 2.84Å; E137-I141 VanDerWaalsContact O-N 3.14Å; E137-I182 HydrophobicContact CG-CD1 4.09Å
138L92.1Very high86Confident6 Ų645.1 Ų45.13%0.03122%0.22CC..Hα-helixtrans-64.5-37.9179-69.3177.4000112K77 I80 L105 I129 D134 C135 K140 I141 V142K77-L138 HydrophobicContact CB-CD2 3.73Å; K77-L138 HydrophobicContact CG-CD2 3.98Å; I80-L138 HydrophobicContact CD1-CD2 3.79Å; L105-L138 HydrophobicContact CD1-CB 3.88Å; L105-L138 HydrophobicContact CD1-CD1 3.81Å; L105-L138 HydrophobicContact CD1-CG 4.48Å; L105-L138 HydrophobicContact CD2-CB 3.76Å; L105-L138 HydrophobicContact CG-CB 4.44Å; I129-L138 HydrophobicContact CD1-CD1 3.66Å; I129-L138 HydrophobicContact CG1-CD1 3.75Å; D134-L138 WeakPolarHBondContact O-CB 3.19Å; D134-L138 WeakPolarHBondContact O-CG 3.16Å; D134-L138 PolarHBondContact O-N 3.48Å; C135-L138 PolarHBondContact O-N 3.43Å; L138-K140 VanDerWaalsContact C-N 3.34Å; L138-I141 HydrophobicContact CD2-CD1 4.42Å; L138-I141 PolarHBondContact O-N 3.17Å; L138-V142 WeakPolarHBondContact O-CB 3.16Å; L138-V142 WeakPolarHBondContact O-CG2 3.14Å; L138-V142 PolarHBondContact O-N 3.16Å
139L91.5Very high85.9Confident1 Ų142.1 Ų42.11%0.00520%0.202CC..Hα-helixtrans-67.9-35.1177.6-16170.9000111.5L105 C135 C136 E137 V142 L143 L150 V160 L164 L183L105-L139 HydrophobicContact CD2-CB 4.18Å; L105-L139 HydrophobicContact CD2-CD1 3.99Å; C135-L139 VanDerWaalsContact O-CB 3.22Å; C135-L139 WeakPolarHBondContact O-CB 3.1Å; C135-L139 PolarHBondContact O-N 2.99Å; C136-L139 PolarHBondContact O-N 3.27Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 2.8Å; L139-V142 PolarHBondContact O-N 2.85Å; L139-L143 HydrophobicContact CD1-CD1 3.61Å; L139-L143 HydrophobicContact CD1-CG 3.88Å; L139-L143 HydrophobicContact CD2-CD1 4.41Å; L139-L143 HydrophobicContact CG-CD1 3.8Å; L139-L143 HydrophobicContact CG-CG 4.13Å; L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 PolarHBondContact O-N 3Å; L139-L150 HydrophobicContact CD2-CD2 4.19Å; L139-V160 HydrophobicContact CD1-CG1 4.4Å; L139-L164 HydrophobicContact CD2-CD1 4.02Å; L139-L164 HydrophobicContact CD2-CD2 4.06Å; L139-L183 HydrophobicContact CB-CD2 4.29Å; L139-L183 HydrophobicContact CD2-CD2 3.94Å
140K90Very high85.7Confident81 Ų8143 Ų4335%0.35221%0.206SC..Hα-helixtrans-61.8-45.5172.7-179.4173.5-176.9168.30112.2C136 E137 L138 H144 I182 C185 I186C136-K140 WeakPolarHBondContact O-CB 3.21Å; C136-K140 PolarHBondContact O-N 2.93Å; E137-K140 WeakPolarHBondContact O-CB 3.43Å; E137-K140 PolarHBondContact O-N 3.21Å; L138-K140 VanDerWaalsContact C-N 3.34Å; K140-H144 WeakPolarHBondContact O-CA 3.23Å; K140-H144 PolarHBondContact O-N 2.87Å; K140-H144 VanDerWaalsContact O-N 3.13Å; K140-I182 HydrophobicContact CB-CG2 4.31Å; K140-I182 HydrophobicContact CD-CG2 3.87Å; K140-C185 HydrophobicContact CD-CB 4.46Å; K140-C185 VanDerWaalsContact NZ-CB 3.32Å; K140-C185 PolarHBondContact NZ-SG 2.96Å; K140-I186 VanDerWaalsContact CA-CD1 3.49Å; K140-I186 HydrophobicContact CB-CD1 3.93Å; K140-I186 HydrophobicContact CB-CG1 3.98Å; K140-I186 HydrophobicContact CG-CD1 4.49Å; K140-I186 HydrophobicContact CG-CG1 3.98Å
141I87.8Confident85.7Confident18 Ų1839.9 Ų39.99%0.09220%0.2CC..Hα-helixtrans-66.2-47.3176.2-61.8152.9000110.8K77 I80 E81 E137 L138K77-I141 HydrophobicContact CG-CD1 4.01Å; I80-I141 HydrophobicContact CG2-CG2 3.89Å; E81-I141 HydrophobicContact CB-CG2 4.47Å; E81-I141 HydrophobicContact CG-CD1 3.65Å; E81-I141 HydrophobicContact CG-CG1 4.08Å; E81-I141 HydrophobicContact CG-CG2 3.83Å; E81-I141 WeakPolarHBondContact OE1-CD1 3.4Å; E137-I141 WeakPolarHBondContact O-CD1 3.46Å; E137-I141 WeakPolarHBondContact O-CG1 3.44Å; E137-I141 PolarHBondContact O-N 2.84Å; E137-I141 VanDerWaalsContact O-N 3.14Å; L138-I141 HydrophobicContact CD2-CD1 4.42Å; L138-I141 PolarHBondContact O-N 3.17Å
142V87.4Confident85.7Confident1 Ų141.3 Ų41.31%0.00621%0.207CC..Hα-helixtrans-70.8-46.8-173.5172.70000112.1I80 V91 P101 L138 L139I80-V142 HydrophobicContact CG2-CG2 3.44Å; I80-V142 VanDerWaalsContact CG2-CG2 3.44Å; V91-V142 HydrophobicContact CG1-CG1 4.17Å; V91-V142 WeakPolarHBondContact CG1-O 3.41Å; V91-V142 WeakPolarHBondContact CG2-O 3.38Å; P101-V142 HydrophobicContact CB-CG1 3.69Å; L138-V142 WeakPolarHBondContact O-CB 3.16Å; L138-V142 WeakPolarHBondContact O-CG2 3.14Å; L138-V142 PolarHBondContact O-N 3.16Å; L139-V142 PolarHBondContact O-N 2.85Å
143L82.6Confident85.7Confident0 Ų043.9 Ų43.90%023%0.226CC..Hα-helixtrans-89-35.6-173.6-60.1-170.5000113.3V91 L139 K145 H146 L149 L150V91-L143 HydrophobicContact CG1-CD2 4.46Å; L139-L143 HydrophobicContact CD1-CD1 3.61Å; L139-L143 HydrophobicContact CD1-CG 3.88Å; L139-L143 HydrophobicContact CD2-CD1 4.41Å; L139-L143 HydrophobicContact CG-CD1 3.8Å; L139-L143 HydrophobicContact CG-CG 4.13Å; L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 PolarHBondContact O-N 3Å; L143-K145 PolarHBondContact O-N 2.83Å; L143-H146 WeakPolarHBondContact O-CA 3.15Å; L143-H146 WeakPolarHBondContact O-CB 3.49Å; L143-H146 PolarHBondContact O-N 2.85Å; L143-L149 HydrophobicContact CD2-CB 3.94Å; L143-L149 HydrophobicContact CD2-CD1 4.04Å; L143-L150 HydrophobicContact CD1-CD2 3.4Å; L143-L150 VanDerWaalsContact CD1-CD2 3.4Å; L143-L150 HydrophobicContact CD1-CG 3.73Å
144H75.8Confident85.8Confident81 Ų8142.8 Ų42.838%0.37522%0.22SC..THydrogen-bonded Turntrans38-108.1173.3-166.51.3000114.7H85 K140 H146H85-H144 AromaticContact CE1-CD2 3.95Å; K140-H144 WeakPolarHBondContact O-CA 3.23Å; K140-H144 PolarHBondContact O-N 2.87Å; K140-H144 VanDerWaalsContact O-N 3.13Å; H144-H146 VanDerWaalsContact C-N 3.27Å; H144-H146 PolarHBondContact O-N 2.84Å
145K70Confident85.9Confident149 Ų14947.9 Ų47.965%0.64824%0.24SC*.THydrogen-bonded Turntrans-84.49.7-179.5-61.8-168.9177.9-173.50114.6L143L143-K145 PolarHBondContact O-N 2.83Å
146H80Confident85.8Confident75 Ų7556 Ų5635%0.34728%0.276SS..  trans-120.550.7-177-58-51.8000111.1L143 H144 N148 L149L143-H146 WeakPolarHBondContact O-CA 3.15Å; L143-H146 WeakPolarHBondContact O-CB 3.49Å; L143-H146 PolarHBondContact O-N 2.85Å; H144-H146 VanDerWaalsContact C-N 3.27Å; H144-H146 PolarHBondContact O-N 2.84Å; H146-N148 VanDerWaalsContact C-OD1 3.29Å; H146-N148 WeakPolarHBondContact CA-OD1 3.46Å; H146-N148 PolarHBondContact O-N 3.28Å; H146-N148 PolarHBondContact O-OD1 3.07Å; H146-L149 HydrophobicContact CB-CD1 3.65Å; H146-L149 HydrophobicContact CB-CG 3.87Å; H146-L149 VanDerWaalsContact O-CB 3.31Å; H146-L149 WeakPolarHBondContact O-CB 3.46Å; H146-L149 WeakPolarHBondContact O-CG 3.33Å; H146-L149 PolarHBondContact O-N 2.99Å
147S79.7Confident85.7Confident39 Ų3958.4 Ų58.427%0.27330%0.3SS..G310 helixtrans-53.9-30172.853.90000112.6L149 L150S147-L149 PolarHBondContact O-N 3.44Å; S147-L149 VanDerWaalsContact O-N 3.1Å; S147-L150 VanDerWaalsContact O-CB 3.26Å; S147-L150 WeakPolarHBondContact O-CB 3.29Å; S147-L150 WeakPolarHBondContact O-CG 3.47Å; S147-L150 PolarHBondContact O-N 3.32Å
148N82.3Confident85.7Confident72 Ų7258.8 Ų58.839%0.38530%0.304SS..G310 helixtrans-57.5-19.2172.670.4-38.5000114.6H146 L150 T151 F266H146-N148 VanDerWaalsContact C-OD1 3.29Å; H146-N148 WeakPolarHBondContact CA-OD1 3.46Å; H146-N148 PolarHBondContact O-N 3.28Å; H146-N148 PolarHBondContact O-OD1 3.07Å; N148-L150 PolarHBondContact O-N 2.86Å; N148-T151 PolarHBondContact O-OG1 3.33Å; N148-F266 HydrophobicContact CB-CZ 4.46Å
149L83.8Confident85.6Confident5 Ų562.6 Ų62.63%0.02632%0.32CS..G310 helixtrans-73.3-10.9173.5-64178.2000113.2V91 T92 N100 L143 H146 S147 I152 V160V91-L149 HydrophobicContact CB-CD1 4.29Å; V91-L149 HydrophobicContact CG1-CD1 3.62Å; T92-L149 HydrophobicContact CG2-CD1 4.5Å; T92-L149 HydrophobicContact CG2-CD2 4.5Å; N100-L149 PolarHBondContact ND2-O 3.08Å; L143-L149 HydrophobicContact CD2-CB 3.94Å; L143-L149 HydrophobicContact CD2-CD1 4.04Å; H146-L149 HydrophobicContact CB-CD1 3.65Å; H146-L149 HydrophobicContact CB-CG 3.87Å; H146-L149 VanDerWaalsContact O-CB 3.31Å; H146-L149 WeakPolarHBondContact O-CB 3.46Å; H146-L149 WeakPolarHBondContact O-CG 3.33Å; H146-L149 PolarHBondContact O-N 2.99Å; S147-L149 PolarHBondContact O-N 3.44Å; S147-L149 VanDerWaalsContact O-N 3.1Å; L149-I152 HydrophobicContact CD2-CD1 3.81Å; L149-V160 VanDerWaalsContact O-CG2 3.23Å; L149-V160 WeakPolarHBondContact O-CG2 3.48Å
150L84Confident85.5Confident21 Ų2162.5 Ų62.511%0.1132%0.32CS..G310 helixtrans-70.4-35.4176.5-72.5170000113.1L139 L143 S147 N148 V160 I161 L187L139-L150 HydrophobicContact CD2-CD2 4.19Å; L143-L150 HydrophobicContact CD1-CD2 3.4Å; L143-L150 VanDerWaalsContact CD1-CD2 3.4Å; L143-L150 HydrophobicContact CD1-CG 3.73Å; S147-L150 VanDerWaalsContact O-CB 3.26Å; S147-L150 WeakPolarHBondContact O-CB 3.29Å; S147-L150 WeakPolarHBondContact O-CG 3.47Å; S147-L150 PolarHBondContact O-N 3.32Å; N148-L150 PolarHBondContact O-N 2.86Å; L150-V160 HydrophobicContact CD2-CB 4.36Å; L150-V160 HydrophobicContact CD2-CG1 3.94Å; L150-V160 PolarHBondContact O-N 3.22Å; L150-I161 PolarHBondContact O-N 3.28Å; L150-I161 VanDerWaalsContact O-N 3.1Å; L150-L187 HydrophobicContact CD1-CD2 4.25Å
151T84Confident85.5Confident91 Ų9161.8 Ų61.856%0.55832%0.319SS*.THydrogen-bonded Turntrans-94.2-16.2-171.155.20000113.8N148N148-T151 PolarHBondContact O-OG1 3.33Å
152I85.8Confident85.6Confident74 Ų7464.3 Ų64.338%0.37933%0.333SS..  trans-65.7131.6174.7-63.8176.4000109.7H103 L149H103-I152 PolarHBondContact CE1-O 3.11Å; H103-I152 PolarHBondContact NE2-O 3.27Å; L149-I152 HydrophobicContact CD2-CD1 3.81Å
153S90.4Very high85.8Confident59 Ų5965 Ų6541%0.41334%0.336SS..BIsolated β-bridgetrans-89.5150.7170.247.90000112.6G157 L158S153-G157 VanDerWaalsContact CB-O 3.29Å; S153-G157 WeakPolarHBondContact CB-O 3.21Å; S153-L158 CarbonylContact C-O 3.52Å; S153-L158 VanDerWaalsContact CA-O 3.24Å; S153-L158 WeakPolarHBondContact CA-O 3.21Å
154N90.2Very high86.2Confident13 Ų1365.8 Ų65.87%0.0734%0.34CS..  trans-82.1-178.3169.670.418.5000111.9G98 N99 H103 K156 G157 L158G98-N154 WeakPolarHBondContact O-CA 3.36Å; G98-N154 WeakPolarHBondContact O-CB 3.48Å; N99-N154 PolarHBondContact OD1-ND2 3.02Å; H103-N154 PolarHBondContact NE2-N 3.16Å; N154-K156 PolarHBondContact O-N 3.05Å; N154-K156 WeakPolarHBondContact OD1-CA 3.37Å; N154-K156 WeakPolarHBondContact OD1-CB 3.13Å; N154-K156 PolarHBondContact OD1-N 3.49Å; N154-G157 PolarHBondContact O-N 2.86Å; N154-L158 PolarHBondContact N-O 3.4Å; N154-L158 PolarHBondContact OD1-N 2.91Å; N154-L158 PolarHBondContact OD1-O 3.47Å
155K92.2Very high86.9Confident152 Ų15266.6 Ų66.666%0.66134%0.344SS*.THydrogen-bonded Turntrans-64.94.3178.9-64.1-177.8-179.6173.90114.8Q96 S97Q96-K155 WeakPolarHBondContact O-CE 3.32Å; Q96-K155 PolarHBondContact O-NZ 3.19Å; S97-K155 WeakPolarHBondContact O-CB 3.45Å; S97-K155 PolarHBondContact O-N 3.37Å
156K89.7Confident87.9Confident172 Ų17262.9 Ų62.975%0.74833%0.329SS*.THydrogen-bonded Turntrans-115.711.5173.2-60.1-164.3169.8-146.60112.9N154 L158N154-K156 PolarHBondContact O-N 3.05Å; N154-K156 WeakPolarHBondContact OD1-CA 3.37Å; N154-K156 WeakPolarHBondContact OD1-CB 3.13Å; N154-K156 PolarHBondContact OD1-N 3.49Å; K156-L158 HydrophobicContact CB-CG 4.45Å; K156-L158 PolarHBondContact O-N 3.48Å; K156-L158 VanDerWaalsContact O-N 3.14Å
157G89.6Confident88.3Confident49 Ų4959.4 Ų59.451%0.50531%0.313SS..SBendtrans77.8-15.5-178.900000115.4S153 N154 K159S153-G157 VanDerWaalsContact CB-O 3.29Å; S153-G157 WeakPolarHBondContact CB-O 3.21Å; N154-G157 PolarHBondContact O-N 2.86Å; G157-K159 PolarHBondContact O-N 2.92Å
158L90.2Very high88.8Confident75 Ų7561 Ų6139%0.39331%0.313SS..  trans-64.5129.4177-58.1171.9000110.6H103 S153 N154 K156H103-L158 PolarHBondContact NE2-O 3.49Å; S153-L158 CarbonylContact C-O 3.52Å; S153-L158 VanDerWaalsContact CA-O 3.24Å; S153-L158 WeakPolarHBondContact CA-O 3.21Å; N154-L158 PolarHBondContact N-O 3.4Å; N154-L158 PolarHBondContact OD1-N 2.91Å; N154-L158 PolarHBondContact OD1-O 3.47Å; K156-L158 HydrophobicContact CB-CG 4.45Å; K156-L158 PolarHBondContact O-N 3.48Å; K156-L158 VanDerWaalsContact O-N 3.14Å
159K91.4Very high89.1Confident86 Ų8661.9 Ų61.937%0.37432%0.318SS..BIsolated β-bridgetrans-96.6164.6171.4-53.3163.6-173.7164.10110.9G157 I161 D162 L163G157-K159 PolarHBondContact O-N 2.92Å; K159-I161 VanDerWaalsContact C-N 3.32Å; K159-I161 HydrophobicContact CB-CG2 4.04Å; K159-I161 HydrophobicContact CD-CG2 4.31Å; K159-D162 VanDerWaalsContact CB-OD2 3.25Å; K159-D162 WeakPolarHBondContact CB-OD2 3.49Å; K159-D162 WeakPolarHBondContact CG-OD2 3.45Å; K159-D162 PolarHBondContact N-OD2 3.28Å; K159-D162 PolarHBondContact O-N 3.46Å; K159-L163 PolarHBondContact O-N 3.04Å
160V89.2Confident89.2Confident0 Ų066.4 Ų66.40%034%0.335CS..Hα-helixtrans-64.2-39.4173.1-172.50000110.8N100 H103 L106 L139 L149 L150 D162 L163 L164N100-V160 WeakPolarHBondContact OD1-CG2 3.31Å; H103-V160 VanDerWaalsContact CE1-CG2 3.41Å; H103-V160 WeakPolarHBondContact CE1-CG2 3.49Å; H103-V160 WeakPolarHBondContact ND1-CG2 3.43Å; L106-V160 HydrophobicContact CD1-CG1 3.55Å; L106-V160 WeakPolarHBondContact CD1-O 3.41Å; L139-V160 HydrophobicContact CD1-CG1 4.4Å; L149-V160 VanDerWaalsContact O-CG2 3.23Å; L149-V160 WeakPolarHBondContact O-CG2 3.48Å; L150-V160 HydrophobicContact CD2-CB 4.36Å; L150-V160 HydrophobicContact CD2-CG1 3.94Å; L150-V160 PolarHBondContact O-N 3.22Å; V160-D162 PolarHBondContact O-N 3.31Å; V160-L163 PolarHBondContact O-N 3.02Å; V160-L164 WeakPolarHBondContact O-CB 3.33Å; V160-L164 PolarHBondContact O-N 3.37Å
161I89.5Confident89.3Confident66 Ų6666 Ų6634%0.33833%0.334SS..Hα-helixtrans-65.4-35.4-179.4-165.2162.4000113.1L150 K159 L163 L164 Q165L150-I161 PolarHBondContact O-N 3.28Å; L150-I161 VanDerWaalsContact O-N 3.1Å; K159-I161 VanDerWaalsContact C-N 3.32Å; K159-I161 HydrophobicContact CB-CG2 4.04Å; K159-I161 HydrophobicContact CD-CG2 4.31Å; I161-L163 PolarHBondContact O-N 2.87Å; I161-L164 WeakPolarHBondContact O-CB 3.11Å; I161-L164 PolarHBondContact O-N 3.02Å; I161-Q165 PolarHBondContact O-N 3.23Å
162D90.7Very high89.5Confident70 Ų7064.4 Ų64.437%0.37433%0.327SS..Hα-helixtrans-65.2-41.2176.5-43.4-32.5000110.9K159 V160 L164 Q165 E166K159-D162 VanDerWaalsContact CB-OD2 3.25Å; K159-D162 WeakPolarHBondContact CB-OD2 3.49Å; K159-D162 WeakPolarHBondContact CG-OD2 3.45Å; K159-D162 PolarHBondContact N-OD2 3.28Å; K159-D162 PolarHBondContact O-N 3.46Å; V160-D162 PolarHBondContact O-N 3.31Å; D162-L164 VanDerWaalsContact C-N 3.31Å; D162-Q165 PolarHBondContact O-N 3.11Å; D162-E166 PolarHBondContact O-N 3.25Å
163L90.9Very high89.6Confident15 Ų1568 Ų688%0.07934%0.34CS..Hα-helixtrans-67.1-32.5174.6-66.1163.9000112.1H103 L106 I107 L110 K159 V160 I161 L167H103-L163 HydrophobicContact CB-CD1 4.49Å; L106-L163 HydrophobicContact CB-CB 3.91Å; L106-L163 HydrophobicContact CD1-CB 4.01Å; I107-L163 HydrophobicContact CD1-CD1 4.16Å; I107-L163 HydrophobicContact CG1-CD1 3.81Å; I107-L163 HydrophobicContact CG1-CD2 4.02Å; L110-L163 HydrophobicContact CD1-CB 4.22Å; L110-L163 HydrophobicContact CD1-CD2 3.82Å; K159-L163 PolarHBondContact O-N 3.04Å; V160-L163 PolarHBondContact O-N 3.02Å; I161-L163 PolarHBondContact O-N 2.87Å; L163-L167 WeakPolarHBondContact O-CB 3.44Å; L163-L167 PolarHBondContact O-N 3.36Å; L163-L167 VanDerWaalsContact O-N 3.16Å
164L91Very high89.5Confident18 Ų1871.5 Ų71.59%0.09435%0.351CS..Hα-helixtrans-71.8-42176.9-173.864.7000111L106 Y132 L139 V160 I161 D162 L167 W168 L183L106-L164 HydrophobicContact CD1-CB 3.82Å; L106-L164 HydrophobicContact CD1-CD1 4.24Å; L106-L164 HydrophobicContact CD2-CD1 4.06Å; Y132-L164 HydrophobicContact CE2-CD1 3.83Å; L139-L164 HydrophobicContact CD2-CD1 4.02Å; L139-L164 HydrophobicContact CD2-CD2 4.06Å; V160-L164 WeakPolarHBondContact O-CB 3.33Å; V160-L164 PolarHBondContact O-N 3.37Å; I161-L164 WeakPolarHBondContact O-CB 3.11Å; I161-L164 PolarHBondContact O-N 3.02Å; D162-L164 VanDerWaalsContact C-N 3.31Å; L164-L167 WeakPolarHBondContact O-CB 3.46Å; L164-L167 PolarHBondContact O-N 3.14Å; L164-W168 WeakPolarHBondContact O-CB 3.47Å; L164-W168 PolarHBondContact O-N 3.36Å; L164-L183 HydrophobicContact CD1-CD1 4.36Å; L164-L183 HydrophobicContact CD2-CD1 3.86Å
165Q89.8Confident89.5Confident98 Ų9873 Ų7346%0.45836%0.358SS..Hα-helixtrans-65.5-41.6174.3-172.96260.100111.6I161 D162 L167 W168 N169I161-Q165 PolarHBondContact O-N 3.23Å; D162-Q165 PolarHBondContact O-N 3.11Å; Q165-L167 PolarHBondContact O-N 3.03Å; Q165-W168 PolarHBondContact O-N 3.24Å; Q165-N169 PolarHBondContact NE2-OD1 3.1Å; Q165-N169 PolarHBondContact O-N 3.26Å; Q165-N169 PolarHBondContact O-ND2 3.32Å; Q165-N169 PolarHBondContact O-OD1 3.18Å
166E90.8Very high89.4Confident71 Ų7168.8 Ų68.833%0.33234%0.338SS..Hα-helixtrans-56.2-42.3172.5-174.2179.6-142.600110.4L110 K114 D162 N169 Y170L110-E166 WeakPolarHBondContact CD1-OE2 3.49Å; L110-E166 HydrophobicContact CD2-CB 4.26Å; L110-E166 HydrophobicContact CD2-CG 3.92Å; L110-E166 WeakPolarHBondContact CD2-OE2 3.42Å; K114-E166 IonicContact NZ-OE1 2.8Å; K114-E166 PolarHBondContact NZ-OE1 3.38Å; K114-E166 IonicContact NZ-OE2 3.86Å; K114-E166 PolarHBondContact NZ-OE2 3.15Å; D162-E166 PolarHBondContact O-N 3.25Å; E166-N169 WeakPolarHBondContact O-CB 3.42Å; E166-N169 PolarHBondContact O-N 2.87Å; E166-Y170 HydrophobicContact CG-CD2 4.4Å; E166-Y170 HydrophobicContact CG-CE2 3.95Å; E166-Y170 WeakPolarHBondContact O-CD2 3.49Å
167L88.5Confident89.3Confident1 Ų164.8 Ų64.81%0.00532%0.322CS..Hα-helixtrans-70.6-43.6-179.2-170.769.8000112.8L106 A109 L110 I113 Y132 C135 L163 L164 Q165 N169 Y170 S171L106-L167 HydrophobicContact CD2-CD2 3.97Å; A109-L167 HydrophobicContact CB-CD2 4.43Å; L110-L167 HydrophobicContact CD2-CB 3.86Å; L110-L167 HydrophobicContact CD2-CD1 3.67Å; L110-L167 HydrophobicContact CD2-CG 4.38Å; L110-L167 HydrophobicContact CG-CB 4.3Å; L110-L167 HydrophobicContact CG-CD1 4Å; I113-L167 HydrophobicContact CD1-CD1 3.7Å; Y132-L167 HydrophobicContact CD2-CB 4.38Å; Y132-L167 HydrophobicContact CD2-CD2 3.71Å; Y132-L167 HydrophobicContact CD2-CG 3.81Å; Y132-L167 HydrophobicContact CE2-CD2 4.32Å; Y132-L167 HydrophobicContact CE2-CG 4.49Å; C135-L167 HydrophobicContact CB-CD2 3.69Å; C135-L167 WeakPolarHBondContact SG-CD2 3.26Å; L163-L167 WeakPolarHBondContact O-CB 3.44Å; L163-L167 PolarHBondContact O-N 3.36Å; L163-L167 VanDerWaalsContact O-N 3.16Å; L164-L167 WeakPolarHBondContact O-CB 3.46Å; L164-L167 PolarHBondContact O-N 3.14Å; Q165-L167 PolarHBondContact O-N 3.03Å; L167-N169 PolarHBondContact O-N 2.86Å; L167-Y170 PolarHBondContact O-N 3.39Å; L167-S171 PolarHBondContact O-N 3.35Å; L167-S171 PolarHBondContact O-OG 2.66Å
168W91.2Very high89.3Confident72 Ų7265.7 Ų65.727%0.27331%0.314SS..Hα-helixtrans-55.2-40.8174-173.6101.6000110.7Y132 L164 Q165 Y170 S171 R176 D180Y132-W168 AromaticContact CE1-CD1 3.97Å; Y132-W168 HydrophobicContact CE2-CB 4.1Å; Y132-W168 AromaticContact CZ-CD1 3.74Å; L164-W168 WeakPolarHBondContact O-CB 3.47Å; L164-W168 PolarHBondContact O-N 3.36Å; Q165-W168 PolarHBondContact O-N 3.24Å; W168-Y170 VanDerWaalsContact C-N 3.3Å; W168-Y170 PolarHBondContact O-N 2.96Å; W168-S171 VanDerWaalsContact O-CB 3.29Å; W168-S171 WeakPolarHBondContact O-CB 3.1Å; W168-S171 PolarHBondContact O-N 2.98Å; W168-R176 HydrophobicContact CD2-CG 3.96Å; W168-R176 HydrophobicContact CG-CG 4.02Å; W168-R176 VanDerWaalsContact CH2-NH1 3.34Å; W168-R176 HydrophobicContact CZ2-CG 4.35Å; W168-R176 VanDerWaalsContact O-CZ 3.26Å; W168-R176 PolarHBondContact O-NE 3.16Å; W168-R176 PolarHBondContact O-NH2 3.46Å; W168-D180 PolarHBondContact NE1-OD1 3.27Å; W168-D180 PolarHBondContact NE1-OD2 3.42Å
169N88.2Confident89.2Confident92 Ų9262.1 Ų62.149%0.49230%0.296SS..Hα-helixtrans-60.3-32.6176.7-66.4-11.8000113.9Q165 E166 L167 S171 R176Q165-N169 PolarHBondContact NE2-OD1 3.1Å; Q165-N169 PolarHBondContact O-N 3.26Å; Q165-N169 PolarHBondContact O-ND2 3.32Å; Q165-N169 PolarHBondContact O-OD1 3.18Å; E166-N169 WeakPolarHBondContact O-CB 3.42Å; E166-N169 PolarHBondContact O-N 2.87Å; L167-N169 PolarHBondContact O-N 2.86Å; N169-S171 VanDerWaalsContact C-N 3.31Å; N169-R176 PolarHBondContact O-NH2 3.3Å; N169-R176 VanDerWaalsContact O-NH2 3.08Å
170Y85.2Confident89.1Confident99 Ų9961.1 Ų61.139%0.38829%0.294SS..Hα-helixtrans-78.8-10.5174.9-76.7-77.7000114L110 K114 Y117 E166 L167 W168L110-Y170 HydrophobicContact CD2-CD2 4.43Å; K114-Y170 HydrophobicContact CD-CE2 4.48Å; K114-Y170 WeakPolarHBondContact CE-OH 3.31Å; K114-Y170 HydrophobicContact CG-CE2 4.44Å; Y117-Y170 PolarHBondContact OH-O 3.1Å; E166-Y170 HydrophobicContact CG-CD2 4.4Å; E166-Y170 HydrophobicContact CG-CE2 3.95Å; E166-Y170 WeakPolarHBondContact O-CD2 3.49Å; L167-Y170 PolarHBondContact O-N 3.39Å; W168-Y170 VanDerWaalsContact C-N 3.3Å; W168-Y170 PolarHBondContact O-N 2.96Å
171S87Confident89Confident12 Ų1266.1 Ų66.18%0.08432%0.321CS..SBendtrans-90.9152.5-169.1-52.10000112.2Y132 L167 W168 N169 R176Y132-S171 WeakPolarHBondContact CB-OG 3.28Å; L167-S171 PolarHBondContact O-N 3.35Å; L167-S171 PolarHBondContact O-OG 2.66Å; W168-S171 VanDerWaalsContact O-CB 3.29Å; W168-S171 WeakPolarHBondContact O-CB 3.1Å; W168-S171 PolarHBondContact O-N 2.98Å; N169-S171 VanDerWaalsContact C-N 3.31Å; S171-R176 VanDerWaalsContact O-CZ 3.26Å; S171-R176 PolarHBondContact O-NE 2.88Å; S171-R176 PolarHBondContact O-NH2 3.41Å
172S89Confident88.8Confident58 Ų5864.4 Ų64.441%0.40631%0.312SS..  trans-72.2162.317268.30000112.3M174 E175 R176S172-M174 VanDerWaalsContact C-N 3.31Å; S172-M174 PolarHBondContact O-N 2.64Å; S172-E175 VanDerWaalsContact CB-OE2 3.23Å; S172-E175 WeakPolarHBondContact CB-OE2 3.42Å; S172-E175 PolarHBondContact N-OE2 3.32Å; S172-E175 PolarHBondContact O-N 2.82Å; S172-E175 VanDerWaalsContact OG-CD 3.28Å; S172-E175 VanDerWaalsContact OG-CG 3.31Å; S172-E175 WeakPolarHBondContact OG-CG 3.32Å; S172-E175 PolarHBondContact OG-N 3.26Å; S172-E175 PolarHBondContact OG-OE2 3.12Å; S172-R176 VanDerWaalsContact O-CG 3.32Å; S172-R176 WeakPolarHBondContact O-CG 3.32Å; S172-R176 PolarHBondContact O-N 3Å
173K87.3Confident88.6Confident151 Ų15162 Ų6266%0.65730%0.3SS*.Hα-helixtrans-54.6-45.9179.2-173.9175.8-173.5-81.80112.2R176 E177K173-R176 WeakPolarHBondContact O-CB 3.4Å; K173-R176 PolarHBondContact O-N 3.39Å; K173-E177 WeakPolarHBondContact CE-OE1 3.2Å; K173-E177 WeakPolarHBondContact CG-OE1 3.23Å; K173-E177 IonicContact NZ-OE1 3.46Å; K173-E177 PolarHBondContact NZ-OE1 3.19Å; K173-E177 WeakPolarHBondContact O-CG 3.24Å; K173-E177 PolarHBondContact O-N 3.16Å
174M88.6Confident88.1Confident132 Ų13267.2 Ų67.265%0.6532%0.322SS*.Hα-helixtrans-63.5-41178.5-175.8-178.7-178.300112.4S172 I178S172-M174 VanDerWaalsContact C-N 3.31Å; S172-M174 PolarHBondContact O-N 2.64Å; M174-I178 HydrophobicContact CE-CD1 4.1Å; M174-I178 HydrophobicContact CG-CD1 3.95Å; M174-I178 WeakPolarHBondContact O-CD1 3.37Å; M174-I178 VanDerWaalsContact O-CG1 3.29Å; M174-I178 WeakPolarHBondContact O-CG1 3.28Å; M174-I178 PolarHBondContact O-N 2.74Å; M174-I178 VanDerWaalsContact O-N 3.08Å
175E89.3Confident87.1Confident45 Ų4569.6 Ų69.621%0.2134%0.339CS..Hα-helixtrans-66.5-38.8176.8-71.3164.5126.200112N131 Y132 I133 S172 G179N131-E175 VanDerWaalsContact CB-OE1 3.31Å; N131-E175 WeakPolarHBondContact CB-OE1 3.48Å; Y132-E175 WeakPolarHBondContact CD1-O 3.43Å; I133-E175 HydrophobicContact CD1-CB 4.46Å; I133-E175 HydrophobicContact CD1-CG 4.11Å; I133-E175 HydrophobicContact CG1-CB 4.31Å; I133-E175 HydrophobicContact CG1-CG 4.36Å; S172-E175 VanDerWaalsContact CB-OE2 3.23Å; S172-E175 WeakPolarHBondContact CB-OE2 3.42Å; S172-E175 PolarHBondContact N-OE2 3.32Å; S172-E175 PolarHBondContact O-N 2.82Å; S172-E175 VanDerWaalsContact OG-CD 3.28Å; S172-E175 VanDerWaalsContact OG-CG 3.31Å; S172-E175 WeakPolarHBondContact OG-CG 3.32Å; S172-E175 PolarHBondContact OG-N 3.26Å; S172-E175 PolarHBondContact OG-OE2 3.12Å; E175-G179 PolarHBondContact O-N 2.72Å
176R90.2Very high86Confident63 Ų6365.8 Ų65.824%0.23832%0.322CS..Hα-helixtrans-61.3-53.9174.6-65.7168.2-165.3-155.64.4110.5W168 N169 S171 S172 K173 I178 G179 D180W168-R176 HydrophobicContact CD2-CG 3.96Å; W168-R176 HydrophobicContact CG-CG 4.02Å; W168-R176 VanDerWaalsContact CH2-NH1 3.34Å; W168-R176 HydrophobicContact CZ2-CG 4.35Å; W168-R176 VanDerWaalsContact O-CZ 3.26Å; W168-R176 PolarHBondContact O-NE 3.16Å; W168-R176 PolarHBondContact O-NH2 3.46Å; N169-R176 PolarHBondContact O-NH2 3.3Å; N169-R176 VanDerWaalsContact O-NH2 3.08Å; S171-R176 VanDerWaalsContact O-CZ 3.26Å; S171-R176 PolarHBondContact O-NE 2.88Å; S171-R176 PolarHBondContact O-NH2 3.41Å; S172-R176 VanDerWaalsContact O-CG 3.32Å; S172-R176 WeakPolarHBondContact O-CG 3.32Å; S172-R176 PolarHBondContact O-N 3Å; K173-R176 WeakPolarHBondContact O-CB 3.4Å; K173-R176 PolarHBondContact O-N 3.39Å; R176-I178 VanDerWaalsContact C-N 3.29Å; R176-I178 PolarHBondContact O-N 2.95Å; R176-G179 PolarHBondContact O-N 3.08Å; R176-G179 VanDerWaalsContact O-N 3.1Å; R176-D180 VanDerWaalsContact O-CB 3.31Å; R176-D180 WeakPolarHBondContact O-CB 3.37Å; R176-D180 PolarHBondContact O-N 3.21Å
177E87.9Confident84.7Confident88 Ų8864.4 Ų64.441%0.41132%0.316SS..Hα-helixtrans-55.3-41.6179.3-72.8165.6170.600112.7K173 N181K173-E177 WeakPolarHBondContact CE-OE1 3.2Å; K173-E177 WeakPolarHBondContact CG-OE1 3.23Å; K173-E177 IonicContact NZ-OE1 3.46Å; K173-E177 PolarHBondContact NZ-OE1 3.19Å; K173-E177 WeakPolarHBondContact O-CG 3.24Å; K173-E177 PolarHBondContact O-N 3.16Å; E177-N181 WeakPolarHBondContact O-CB 3.18Å; E177-N181 PolarHBondContact O-N 2.89Å; E177-N181 PolarHBondContact O-ND2 2.86Å
178I88.8Confident83.4Confident67 Ų6767.4 Ų67.434%0.34434%0.337SS..Hα-helixtrans-71.5-46176.4-64.9166.2000111I133 M174 R176 N181 I182I133-I178 HydrophobicContact CD1-CB 4.03Å; I133-I178 HydrophobicContact CD1-CD1 3.93Å; I133-I178 HydrophobicContact CD1-CG2 3.87Å; I133-I178 HydrophobicContact CG1-CB 4.15Å; I133-I178 HydrophobicContact CG1-CG2 3.93Å; I133-I178 HydrophobicContact CG2-CG2 3.95Å; M174-I178 HydrophobicContact CE-CD1 4.1Å; M174-I178 HydrophobicContact CG-CD1 3.95Å; M174-I178 WeakPolarHBondContact O-CD1 3.37Å; M174-I178 VanDerWaalsContact O-CG1 3.29Å; M174-I178 WeakPolarHBondContact O-CG1 3.28Å; M174-I178 PolarHBondContact O-N 2.74Å; M174-I178 VanDerWaalsContact O-N 3.08Å; R176-I178 VanDerWaalsContact C-N 3.29Å; R176-I178 PolarHBondContact O-N 2.95Å; I178-N181 PolarHBondContact O-N 3.38Å; I178-I182 HydrophobicContact CG2-CD1 3.96Å; I178-I182 WeakPolarHBondContact O-CG1 3.42Å; I178-I182 PolarHBondContact O-N 2.95Å; I178-I182 VanDerWaalsContact O-N 3.09Å
179G88.6Confident81.6Confident0 Ų066.7 Ų66.70%035%0.352CS..Hα-helixtrans-65.1-43.7-178.400000113.4E175 R176 N181 I182 L183E175-G179 PolarHBondContact O-N 2.72Å; R176-G179 PolarHBondContact O-N 3.08Å; R176-G179 VanDerWaalsContact O-N 3.1Å; G179-N181 VanDerWaalsContact C-N 3.33Å; G179-N181 PolarHBondContact O-N 2.83Å; G179-I182 WeakPolarHBondContact O-CB 3.45Å; G179-I182 PolarHBondContact O-N 3.01Å; G179-I182 VanDerWaalsContact O-N 3.1Å; G179-L183 WeakPolarHBondContact O-CG 3.38Å; G179-L183 PolarHBondContact O-N 3.09Å
180D88.5Confident79.5Confident65 Ų6568.4 Ų68.435%0.34836%0.361SS..Hα-helixtrans-64.3-38.9179.1-64.9-27.3000110.7Y132 W168 R176 L183 K184Y132-D180 PolarHBondContact OH-OD1 2.96Å; W168-D180 PolarHBondContact NE1-OD1 3.27Å; W168-D180 PolarHBondContact NE1-OD2 3.42Å; R176-D180 VanDerWaalsContact O-CB 3.31Å; R176-D180 WeakPolarHBondContact O-CB 3.37Å; R176-D180 PolarHBondContact O-N 3.21Å; D180-L183 PolarHBondContact O-N 2.95Å; D180-K184 PolarHBondContact O-N 2.89Å
181N87.2Confident77Confident106 Ų10669.9 Ų69.957%0.56738%0.376SS*.Hα-helixtrans-63.6-38171.2-83.6-56.9000113E177 I178 G179E177-N181 WeakPolarHBondContact O-CB 3.18Å; E177-N181 PolarHBondContact O-N 2.89Å; E177-N181 PolarHBondContact O-ND2 2.86Å; I178-N181 PolarHBondContact O-N 3.38Å; G179-N181 VanDerWaalsContact C-N 3.33Å; G179-N181 PolarHBondContact O-N 2.83Å
182I86.7Confident74.6Confident30 Ų3073.6 Ų73.615%0.15440%0.401CS..Hα-helixtrans-64.7-42.3174.7-69.1162.9000110.9I133 C136 E137 K140 I178 G179I133-I182 HydrophobicContact CG2-CD1 3.83Å; C136-I182 HydrophobicContact CB-CB 4.22Å; C136-I182 HydrophobicContact CB-CG2 4.04Å; E137-I182 HydrophobicContact CG-CD1 4.09Å; K140-I182 HydrophobicContact CB-CG2 4.31Å; K140-I182 HydrophobicContact CD-CG2 3.87Å; I178-I182 HydrophobicContact CG2-CD1 3.96Å; I178-I182 WeakPolarHBondContact O-CG1 3.42Å; I178-I182 PolarHBondContact O-N 2.95Å; I178-I182 VanDerWaalsContact O-N 3.09Å; G179-I182 WeakPolarHBondContact O-CB 3.45Å; G179-I182 PolarHBondContact O-N 3.01Å; G179-I182 VanDerWaalsContact O-N 3.1Å
183L85.4Confident71.9Confident20 Ų2079 Ų7911%0.10543%0.426CS..Hα-helixtrans-71.9-31.2-179.4-65.5-179.3000113.2C136 L139 L164 G179 D180 C185 I186C136-L183 HydrophobicContact CB-CD2 3.87Å; C136-L183 HydrophobicContact CB-CG 3.92Å; L139-L183 HydrophobicContact CB-CD2 4.29Å; L139-L183 HydrophobicContact CD2-CD2 3.94Å; L164-L183 HydrophobicContact CD1-CD1 4.36Å; L164-L183 HydrophobicContact CD2-CD1 3.86Å; G179-L183 WeakPolarHBondContact O-CG 3.38Å; G179-L183 PolarHBondContact O-N 3.09Å; D180-L183 PolarHBondContact O-N 2.95Å; L183-C185 PolarHBondContact O-N 3.46Å; L183-I186 HydrophobicContact CB-CD1 4.48Å; L183-I186 HydrophobicContact CD2-CD1 3.51Å; L183-I186 VanDerWaalsContact O-CB 3.29Å; L183-I186 WeakPolarHBondContact O-CB 3.34Å; L183-I186 WeakPolarHBondContact O-CG1 3.41Å; L183-I186 PolarHBondContact O-N 3.18Å
184K81.9Confident69.4Low124 Ų12476.3 Ų76.354%0.53943%0.426SS..Hα-helixtrans-51.8-39.2176.7-166.5172.4-176.9177.40112.1D180 I186 L187 S188D180-K184 PolarHBondContact O-N 2.89Å; K184-I186 VanDerWaalsContact C-N 3.25Å; K184-I186 PolarHBondContact O-N 3.31Å; K184-L187 PolarHBondContact O-N 3.48Å; K184-L187 VanDerWaalsContact O-N 3.09Å; K184-S188 PolarHBondContact O-N 3.45Å; K184-S188 PolarHBondContact O-OG 3.47Å
185C68.5Low66.7Low68 Ų6877.2 Ų77.246%0.45943%0.434SS..Hα-helixtrans-61.2-24.4174.8-56.30000115.1K140 L183K140-C185 HydrophobicContact CD-CB 4.46Å; K140-C185 VanDerWaalsContact NZ-CB 3.32Å; K140-C185 PolarHBondContact NZ-SG 2.96Å; L183-C185 PolarHBondContact O-N 3.46Å
186I67.2Low64Low18 Ų1881.3 Ų81.39%0.09246%0.462CS..Hα-helixtrans-74.3-35.4176.4-51.1173000109.8K140 L183 K184K140-I186 VanDerWaalsContact CA-CD1 3.49Å; K140-I186 HydrophobicContact CB-CD1 3.93Å; K140-I186 HydrophobicContact CB-CG1 3.98Å; K140-I186 HydrophobicContact CG-CD1 4.49Å; K140-I186 HydrophobicContact CG-CG1 3.98Å; L183-I186 HydrophobicContact CB-CD1 4.48Å; L183-I186 HydrophobicContact CD2-CD1 3.51Å; L183-I186 VanDerWaalsContact O-CB 3.29Å; L183-I186 WeakPolarHBondContact O-CB 3.34Å; L183-I186 WeakPolarHBondContact O-CG1 3.41Å; L183-I186 PolarHBondContact O-N 3.18Å; K184-I186 VanDerWaalsContact C-N 3.25Å; K184-I186 PolarHBondContact O-N 3.31Å
187L62.6Low61.2Low42 Ų4283.9 Ų83.922%0.2249%0.487CS..Hα-helixtrans-90-38.8-169.5-60175.2000112.6L150 K184 G189 L259 I262L150-L187 HydrophobicContact CD1-CD2 4.25Å; K184-L187 PolarHBondContact O-N 3.48Å; K184-L187 VanDerWaalsContact O-N 3.09Å; L187-G189 PolarHBondContact O-N 3.5Å; L187-L259 HydrophobicContact CD1-CD2 3.56Å; L187-I262 HydrophobicContact CB-CD1 3.62Å; L187-I262 HydrophobicContact CD1-CD1 4.1Å; L187-I262 HydrophobicContact CG-CD1 4.4Å
188S61.8Low58.4Low64 Ų6487 Ų8745%0.44851%0.507SS..SBendtrans-72.1-5.4-178.8-60.60000114.9K184 D190K184-S188 PolarHBondContact O-N 3.45Å; K184-S188 PolarHBondContact O-OG 3.47Å; S188-D190 PolarHBondContact O-N 3.39Å
189G54Low55.9Low56 Ų5691.7 Ų91.758%0.57753%0.53SS*.  trans70.1-18.3173.100000117.3L187L187-G189 PolarHBondContact O-N 3.5Å
190D43.3Very low53.3Low129 Ų12998.9 Ų98.969%0.6956%0.564SS**  trans-69.9131.2-173.9-75.1-38.5000114.2S188 S192S188-D190 PolarHBondContact O-N 3.39Å; D190-S192 PolarHBondContact O-N 3.03Å
191N34.2Very low50.6Low130 Ų130101.6 Ų101.670%0.69558%0.578SS**  trans-91.164.7178.7-61.4-90.5000111.1
192S36.6Very low48.1Very low89 Ų89104.4 Ų104.462%0.62259%0.593SS**  trans-97.991.417145.40000111.6D190 S194D190-S192 PolarHBondContact O-N 3.03Å; S192-S194 PolarHBondContact O-N 3.49Å
193N30.5Very low45.5Very low172 Ų172109 Ų10992%0.9262%0.618SS**  trans-72.691.4166.2-81.9-22.4000109.8
194S36.4Very low43Very low95 Ų95117.1 Ų117.166%0.66466%0.655SS**  trans-127.594.2173.655.70000111.6S192S192-S194 PolarHBondContact O-N 3.49Å
195N32Very low40.7Very low151 Ų151116.4 Ų116.481%0.80766%0.663SS**  trans20.9108.5150.1-56.2-18000118.2P197N195-P197 WeakPolarHBondContact O-CD 3.23Å
196T31.4Very low39Very low130 Ų130117.5 Ų117.580%0.79868%0.677SS**PPolyproline II helixtrans-60.5121.6153.846.40000109.9N198T196-N198 PolarHBondContact O-N 3.47Å
197P32.4Very low37.3Very low118 Ų118121.7 Ų121.777%0.76671%0.708SS**PPolyproline II helixtrans-70122.1175.3-18.232.6000110.7N195 I199N195-P197 WeakPolarHBondContact O-CD 3.23Å; P197-I199 PolarHBondContact O-N 3.2Å
198N28.6Very low35.9Very low154 Ų154124.4 Ų124.482%0.82473%0.73SS**PPolyproline II helixtrans-68.1116.8165.5-88.5-34.1000108.9T196T196-N198 PolarHBondContact O-N 3.47Å
199I35.3Very low34.6Very low164 Ų164125.7 Ų125.784%0.84174%0.739SS**  trans-106.196.2157.9-61.4-177.2000107P197P197-I199 PolarHBondContact O-N 3.2Å
200H34.9Very low33.6Very low152 Ų152128.3 Ų128.370%0.70475%0.749SS**  trans-72.4155168.6-120.447.6000110.2
201N32.4Very low33.1Very low122 Ų122127.1 Ų127.165%0.65275%0.75SS**  trans1.6133.1162.1-56.6-19.5000118.4
202N33.8Very low33Very low164 Ų164126.2 Ų126.288%0.87776%0.755SS**  -143.1151.2113.8-107.3-37.1000112.2
203N32.7Very low32.8Very low126 Ų126127.4 Ų127.467%0.67476%0.763SS**  trans-83.6154.2-175-55.2-67.5000111.1
204H32.4Very low32.7Very low191 Ų191123.8 Ų123.888%0.88475%0.751SS**  -166.1138.9109.4-113.1-83.9000111.9
205P33.2Very low32.6Very low110 Ų110130.2 Ų130.271%0.71476%0.761SS**  trans-104.5153.1176.637.9-32.5000113
206A32.7Very low32.5Very low90 Ų90129.8 Ų129.874%0.74476%0.758SS**  trans-167.6155.4146.500000112.4
207S32.8Very low32.5Very low107 Ų107132.2 Ų132.275%0.74876%0.758SS**  trans16.1141.9148.854.20000122.1
208S33.1Very low32.5Very low98 Ų98135.8 Ų135.869%0.68576%0.761SS**  cis-172.3172.6-3.750.80000112.9
209S33.8Very low32.6Very low91 Ų91135.9 Ų135.964%0.63675%0.754SS**  trans61.5113139.861.20000121.5
210S32.8Very low32.5Very low111 Ų111133.6 Ų133.678%0.77675%0.748SS**  trans61.2145.1134.153.90000121.4
211S33.5Very low32.5Very low104 Ų104129.8 Ų129.873%0.72773%0.733SS**  cis-166.7138.9-6.442.10000113.7
212S30.9Very low32.5Very low112 Ų112133.7 Ų133.778%0.78374%0.74SS**  trans30.7109.9133.7-49.10000121.7
213S32.8Very low32.6Very low113 Ų113132.7 Ų132.779%0.7973%0.734SS**  176.4123.3123.4-76.90000109.4
214S29.7Very low32.8Very low97 Ų97132.7 Ų132.768%0.67873%0.734SS**  cis83.294.232.2890000115.8
215R33.4Very low33Very low230 Ų230131.5 Ų131.587%0.86873%0.729SS**  trans-175.6112.7149-93.6141.6-153.2-124.86.2108.2
216L30.7Very low33Very low141 Ų141134.7 Ų134.774%0.73874%0.737SS**  90.1104.181.6-92.7130.7000112.4
217F29.8Very low32.9Very low182 Ų182135.4 Ų135.480%0.79874%0.736SS**  78.1148.1103.6-91.7-94.9000114.2
218K33.7Very low32.9Very low192 Ų192135.5 Ų135.584%0.83574%0.737SS**  cis-109.4-160.918.6-64.6175.4-175174.30111.4
219K30.5Very low32.9Very low156 Ų156139.8 Ų139.868%0.67874%0.744SS**  cis70.3138.414.9-157.7-175-177.7-140.60114.8D221K219-D221 WeakPolarHBondContact CE-OD2 3.49Å; K219-D221 WeakPolarHBondContact CG-OD2 3.42Å
220T33.5Very low32.8Very low116 Ų116141.7 Ų141.771%0.71275%0.746SS**  cis-116.3157.916.538.90000113.3
221D34.3Very low32.7Very low73 Ų73141.2 Ų141.239%0.3974%0.743SS.*  cis84.5104.131-69.3-24000115.4K120 K219K120-D221 IonicContact NZ-OD1 2.61Å; K120-D221 PolarHBondContact NZ-OD1 2.95Å; K120-D221 IonicContact NZ-OD2 3.16Å; K120-D221 PolarHBondContact NZ-OD2 3.45Å; K219-D221 WeakPolarHBondContact CE-OD2 3.49Å; K219-D221 WeakPolarHBondContact CG-OD2 3.42Å
222Y32.7Very low32.5Very low203 Ų203142.5 Ų142.580%0.79674%0.742SS**  trans85.2153.4141-86.9-92.7000124.1
223N34.9Very low32.9Very low143 Ų143142.9 Ų142.977%0.76574%0.744SS**  trans86.8139.9169.2-51.5128000119.8
224D38Very low32.9Very low126 Ų126144.9 Ų144.967%0.67475%0.746SS**  cis-166.3-175-43.4-117-56.4000112.5
225E37.3Very low33.3Very low167 Ų167149.1 Ų149.178%0.7876%0.755SS**  trans39.2101.4149.2-147.6156.4-129.400119.7
226M32Very low33.5Very low176 Ų176141.9 Ų141.987%0.86775%0.745SS**  61.884.787.6-161.1167.398.400116.6
227S31.6Very low33.9Very low105 Ų105142.3 Ų142.373%0.73475%0.748SS**  trans-147.5117.6158.8-78.40000106.6
228S32.7Very low33.9Very low109 Ų109140.9 Ų140.976%0.76275%0.748SS**  71.2133.883.482.40000112
229F33.4Very low34.2Very low188 Ų188137.2 Ų137.283%0.82575%0.747SS**  cis-159.9-173.87.8176.7-111.4000109.6
230L30.3Very low34.6Very low132 Ų132133.9 Ų133.969%0.69174%0.743SS**  trans-75.3-174.2177.2-65.3165.3000113.3
231S31.6Very low34.4Very low101 Ų101134.8 Ų134.871%0.70674%0.743SS**  trans88.796.8-175.5-148.40000112.8
232D29.5Very low35Very low131 Ų131139.8 Ų139.870%0.70177%0.765SS**  cis72.511649.6-47.6-44.3000112.9
233S39.2Very low35.5Very low120 Ų120140 Ų14084%0.83976%0.764SS**  trans-175122.8143.4-75.10000109.5
234D31.7Very low36.2Very low154 Ų154140.6 Ų140.682%0.82476%0.762SS**  trans-68.5167.1176.6-48.6-92.9000111.7
235E39.1Very low36.9Very low186 Ų186141.2 Ų141.287%0.86977%0.766SS**  -171.2148.980-97.8-164.1172.400115.7
236A38.2Very low37.5Very low79 Ų79141 Ų14165%0.65376%0.759SS**  trans70.7144.5135.600000124.1
237N37.4Very low38.1Very low150 Ų150138.5 Ų138.580%0.80274%0.743SS**  trans61.2104.2161-62.4-21.7000118.3
238N30.2Very low39.3Very low152 Ų152138.8 Ų138.881%0.81375%0.745SS**  cis78.894.831.6-161.631.3000115.9
239S40.4Very low40.1Very low114 Ų114137 Ų13780%0.79774%0.744SS**  trans-162.795154.1-177.20000107
240S37.8Very low40.6Very low87 Ų87134 Ų13461%0.60873%0.731SS**  7587.786.7-174.40000113.9
241N30.9Very low41.1Very low134 Ų134133.5 Ų133.572%0.71774%0.739SS**  trans50.393.3146.4-55.618.3000118.9
242E45.5Very low41.6Very low178 Ų178134.5 Ų134.583%0.83274%0.736SS**  trans-132.41.4166.8-158175.6-163.300113
243W43.9Very low42.4Very low208 Ų208137.3 Ų137.379%0.78875%0.745SS**SBendtrans-98.1-7.2-169.9-67.193.7000115.2F247W243-F247 WeakPolarHBondContact O-CD2 3.26Å
244E49.3Very low42.8Very low155 Ų155135.4 Ų135.472%0.72473%0.73SS**SBendtrans-87-34.2-171.9-65.1178.8126.900112.5Y246E244-Y246 PolarHBondContact O-N 2.85Å
245D53.7Low43.4Very low139 Ų139138.4 Ų138.474%0.74373%0.731SS**G310 helixtrans-74.2-22.7177.8-80.6-30.6000114F247 S248D245-F247 PolarHBondContact O-N 3.1Å; D245-F247 VanDerWaalsContact O-N 3.16Å; D245-S248 VanDerWaalsContact O-CB 3.28Å; D245-S248 WeakPolarHBondContact O-CB 3.23Å; D245-S248 PolarHBondContact O-N 3.39Å; D245-S248 VanDerWaalsContact O-N 3.14Å; D245-S248 PolarHBondContact O-OG 3.44Å
246Y50Low43.9Very low162 Ų162132.8 Ų132.864%0.63571%0.706SS**G310 helixtrans-64.4-21.4-176.3-169.7-96.6000113.6E244 F250E244-Y246 PolarHBondContact O-N 2.85Å; Y246-F250 HydrophobicContact CD1-CE2 4.49Å; Y246-F250 HydrophobicContact CE1-CE2 4.05Å
247F44.6Very low44.8Very low125 Ų125130.4 Ų130.455%0.54869%0.685SS.*G310 helixtrans-89.2-4.4179.6-68.7-86000113.9W243 D245 G249 F250W243-F247 WeakPolarHBondContact O-CD2 3.26Å; D245-F247 PolarHBondContact O-N 3.1Å; D245-F247 VanDerWaalsContact O-N 3.16Å; F247-G249 PolarHBondContact O-N 2.96Å; F247-F250 PolarHBondContact O-N 3.4Å
248S55Low45.6Very low111 Ų111129.2 Ų129.278%0.77667%0.674SS**THydrogen-bonded Turntrans-63.6-5.9-174.159.80000116.5D245D245-S248 VanDerWaalsContact O-CB 3.28Å; D245-S248 WeakPolarHBondContact O-CB 3.23Å; D245-S248 PolarHBondContact O-N 3.39Å; D245-S248 VanDerWaalsContact O-N 3.14Å; D245-S248 PolarHBondContact O-OG 3.44Å
249G51.4Low46.7Very low72 Ų72125.5 Ų125.574%0.74265%0.654SS**THydrogen-bonded Turntrans-130.14.8-179.100000116F247F247-G249 PolarHBondContact O-N 2.96Å
250F42.4Very low47.9Very low124 Ų124122.6 Ų122.654%0.54463%0.629SS.*  trans-91.9119.3176.3-78.7-88.8000110.7Y246 F247 D252Y246-F250 HydrophobicContact CD1-CE2 4.49Å; Y246-F250 HydrophobicContact CE1-CE2 4.05Å; F247-F250 PolarHBondContact O-N 3.4Å; F250-D252 PolarHBondContact O-N 2.94Å
251S42.3Very low49.2Very low122 Ų122121.3 Ų121.385%0.85362%0.62SS**  trans-81.995.5164.5580000108.8E253S251-E253 PolarHBondContact O-N 3.11Å; S251-E253 VanDerWaalsContact O-N 3.07Å
252D41.5Very low50.8Low121 Ų121117.1 Ų117.165%0.64760%0.598SS**  trans-67.7102.4-176.7-68.4-44.3000112.3F250 P254F250-D252 PolarHBondContact O-N 2.94Å; D252-P254 VanDerWaalsContact C-CD 3.49Å; D252-P254 WeakPolarHBondContact O-CD 3.26Å
253E46.3Very low51.9Low191 Ų191115.5 Ų115.589%0.89358%0.584SS**  trans-95.492.8139.4-77.5-160.6152.800107.5S251S251-E253 PolarHBondContact O-N 3.11Å; S251-E253 VanDerWaalsContact O-N 3.07Å
254P47.6Very low53.2Low79 Ų79110.3 Ų110.351%0.51357%0.568SS.*  trans-68.3144.6-178.820-20.6000110.2D252 I256D252-P254 VanDerWaalsContact C-CD 3.49Å; D252-P254 WeakPolarHBondContact O-CD 3.26Å; P254-I256 HydrophobicContact CB-CG1 4.06Å; P254-I256 HydrophobicContact CG-CD1 4.05Å; P254-I256 HydrophobicContact CG-CG1 3.74Å; P254-I256 PolarHBondContact O-N 3.25Å
255Y43.9Very low53.9Low218 Ų218107.4 Ų107.486%0.85556%0.555SS**  trans-68.881.9161.5174.1-101.9000108.4S257Y255-S257 PolarHBondContact O-N 2.93Å
256I50.8Low54.7Low68 Ų68105.3 Ų105.335%0.34954%0.539SS..  trans-72.2109.3175.4-58.3170000106.8P254 H258 D260P254-I256 HydrophobicContact CB-CG1 4.06Å; P254-I256 HydrophobicContact CG-CD1 4.05Å; P254-I256 HydrophobicContact CG-CG1 3.74Å; P254-I256 PolarHBondContact O-N 3.25Å; I256-H258 PolarHBondContact O-N 3.39Å; I256-D260 HydrophobicContact CG2-CB 4.14Å
257S56.6Low55.7Low28 Ų28101.2 Ų101.220%0.19653%0.526CS..  trans-53.6139.8164-179.50000108.2Y255 L259 D260 S261Y255-S257 PolarHBondContact O-N 2.93Å; S257-L259 PolarHBondContact O-N 2.84Å; S257-D260 WeakPolarHBondContact CB-OD2 3.06Å; S257-D260 CarbonylContact O-C 3.56Å; S257-D260 WeakPolarHBondContact O-CA 3.21Å; S257-D260 WeakPolarHBondContact O-CB 3.49Å; S257-D260 PolarHBondContact O-N 3.42Å; S257-S261 PolarHBondContact O-N 3.22Å
258H54.3Low56.7Low126 Ų126100.9 Ų100.958%0.58353%0.526SS*.Hα-helixtrans-52.7-33177.365.1-82.2000112.2I256 D260 S261 I262I256-H258 PolarHBondContact O-N 3.39Å; H258-D260 VanDerWaalsContact C-N 3.34Å; H258-S261 PolarHBondContact O-N 2.85Å; H258-I262 VanDerWaalsContact O-CD1 3.24Å; H258-I262 WeakPolarHBondContact O-CD1 3.49Å; H258-I262 VanDerWaalsContact O-CG1 3.23Å; H258-I262 WeakPolarHBondContact O-CG1 3.43Å; H258-I262 PolarHBondContact O-N 3.21Å
259L53Low56.9Low74 Ų74102.9 Ų102.939%0.38752%0.516SS..Hα-helixtrans-67.2-30.2173.5-58.8-178.3000113.9L187 S257 I262 R263L187-L259 HydrophobicContact CD1-CD2 3.56Å; S257-L259 PolarHBondContact O-N 2.84Å; L259-I262 HydrophobicContact CD2-CD1 4.38Å; L259-R263 WeakPolarHBondContact O-CB 3.48Å; L259-R263 PolarHBondContact O-N 3Å
260D65.9Low56.9Low53 Ų53106.3 Ų106.328%0.28351%0.511SS..Hα-helixtrans-80.4-33.1175.3-66-44.1000111.4I256 S257 H258 I262 R263 E264I256-D260 HydrophobicContact CG2-CB 4.14Å; S257-D260 WeakPolarHBondContact CB-OD2 3.06Å; S257-D260 CarbonylContact O-C 3.56Å; S257-D260 WeakPolarHBondContact O-CA 3.21Å; S257-D260 WeakPolarHBondContact O-CB 3.49Å; S257-D260 PolarHBondContact O-N 3.42Å; H258-D260 VanDerWaalsContact C-N 3.34Å; D260-I262 VanDerWaalsContact C-N 3.32Å; D260-I262 PolarHBondContact O-N 3.2Å; D260-R263 WeakPolarHBondContact O-CA 3.29Å; D260-R263 VanDerWaalsContact O-CB 3.31Å; D260-R263 WeakPolarHBondContact O-CB 3.32Å; D260-R263 PolarHBondContact O-N 2.95Å; D260-R263 VanDerWaalsContact O-N 3.11Å; D260-R263 IonicContact OD1-CZ 2.67Å; D260-R263 IonicContact OD1-NE 2.66Å; D260-R263 PolarHBondContact OD1-NE 3Å; D260-R263 IonicContact OD1-NH2 3.52Å; D260-R263 PolarHBondContact OD1-NH2 3.45Å; D260-E264 WeakPolarHBondContact O-CB 3.35Å; D260-E264 WeakPolarHBondContact O-CG 3.45Å; D260-E264 PolarHBondContact O-N 2.74Å
261S65.4Low57.4Low60 Ų60108.5 Ų108.542%0.4252%0.515SS..Hα-helixtrans-63-40.8167.8-162.70000111.1S257 H258 R263 E264 E265S257-S261 PolarHBondContact O-N 3.22Å; H258-S261 PolarHBondContact O-N 2.85Å; S261-R263 VanDerWaalsContact C-N 3.32Å; S261-R263 PolarHBondContact O-N 2.97Å; S261-E264 PolarHBondContact O-N 2.8Å; S261-E265 WeakPolarHBondContact O-CB 3.42Å; S261-E265 PolarHBondContact O-N 3.3Å
262I64.4Low57.6Low46 Ų46106.4 Ų106.424%0.23650%0.497CS..Hα-helixtrans-64.6-35.3172.6-69.3155.7000111.6L187 H258 L259 D260 F266L187-I262 HydrophobicContact CB-CD1 3.62Å; L187-I262 HydrophobicContact CD1-CD1 4.1Å; L187-I262 HydrophobicContact CG-CD1 4.4Å; H258-I262 VanDerWaalsContact O-CD1 3.24Å; H258-I262 WeakPolarHBondContact O-CD1 3.49Å; H258-I262 VanDerWaalsContact O-CG1 3.23Å; H258-I262 WeakPolarHBondContact O-CG1 3.43Å; H258-I262 PolarHBondContact O-N 3.21Å; L259-I262 HydrophobicContact CD2-CD1 4.38Å; D260-I262 VanDerWaalsContact C-N 3.32Å; D260-I262 PolarHBondContact O-N 3.2Å; I262-F266 VanDerWaalsContact O-CB 3.23Å; I262-F266 WeakPolarHBondContact O-CB 3.5Å; I262-F266 PolarHBondContact O-N 3.41Å
263R68.3Low57.8Low144 Ų144106.6 Ų106.654%0.54350%0.503SS..Hα-helixtrans-66.6-51.3175.5-175.5-156.2-56.2-109.55.6110.7L259 D260 S261 F266 E267L259-R263 WeakPolarHBondContact O-CB 3.48Å; L259-R263 PolarHBondContact O-N 3Å; D260-R263 WeakPolarHBondContact O-CA 3.29Å; D260-R263 VanDerWaalsContact O-CB 3.31Å; D260-R263 WeakPolarHBondContact O-CB 3.32Å; D260-R263 PolarHBondContact O-N 2.95Å; D260-R263 VanDerWaalsContact O-N 3.11Å; D260-R263 IonicContact OD1-CZ 2.67Å; D260-R263 IonicContact OD1-NE 2.66Å; D260-R263 PolarHBondContact OD1-NE 3Å; D260-R263 IonicContact OD1-NH2 3.52Å; D260-R263 PolarHBondContact OD1-NH2 3.45Å; S261-R263 VanDerWaalsContact C-N 3.32Å; S261-R263 PolarHBondContact O-N 2.97Å; R263-F266 PolarHBondContact O-N 3.47Å; R263-E267 WeakPolarHBondContact O-CB 3.43Å; R263-E267 WeakPolarHBondContact O-CG 3.35Å; R263-E267 PolarHBondContact O-N 3.11Å
264E71Confident57.5Low99 Ų99101.3 Ų101.346%0.46349%0.487SS..Hα-helixtrans-57.6-47.6175.9-73.6168.7170.900110.8D260 S261 F266 E267 H268D260-E264 WeakPolarHBondContact O-CB 3.35Å; D260-E264 WeakPolarHBondContact O-CG 3.45Å; D260-E264 PolarHBondContact O-N 2.74Å; S261-E264 PolarHBondContact O-N 2.8Å; E264-F266 PolarHBondContact O-N 3.46Å; E264-E267 PolarHBondContact O-N 2.86Å; E264-H268 WeakPolarHBondContact O-CB 3.17Å; E264-H268 PolarHBondContact O-N 2.74Å
265E64.3Low57.3Low94 Ų94103.8 Ų103.844%0.43950%0.501SS..Hα-helixtrans-64.7-40.4178.9-156.3-150.6-177.900112.1S261 H268 R269S261-E265 WeakPolarHBondContact O-CB 3.42Å; S261-E265 PolarHBondContact O-N 3.3Å; E265-H268 PolarHBondContact O-N 3.46Å; E265-R269 VanDerWaalsContact O-CB 3.3Å; E265-R269 WeakPolarHBondContact O-CB 3.47Å; E265-R269 WeakPolarHBondContact O-CG 3.23Å; E265-R269 PolarHBondContact O-N 3.29Å; E265-R269 IonicContact OE1-CZ 2.8Å; E265-R269 IonicContact OE1-NE 2.72Å; E265-R269 PolarHBondContact OE1-NE 3.47Å; E265-R269 IonicContact OE1-NH2 2.73Å; E265-R269 PolarHBondContact OE1-NH2 2.9Å; E265-R269 IonicContact OE2-CZ 3.12Å; E265-R269 IonicContact OE2-NE 3.21Å; E265-R269 IonicContact OE2-NH2 2.8Å
266F70.3Confident56.9Low94 Ų9498.6 Ų98.641%0.41249%0.494SS..Hα-helixtrans-64.2-41.9175.5176.7-97.1000112.2N148 I262 R263 E264 K270N148-F266 HydrophobicContact CB-CZ 4.46Å; I262-F266 VanDerWaalsContact O-CB 3.23Å; I262-F266 WeakPolarHBondContact O-CB 3.5Å; I262-F266 PolarHBondContact O-N 3.41Å; R263-F266 PolarHBondContact O-N 3.47Å; E264-F266 PolarHBondContact O-N 3.46Å; F266-K270 HydrophobicContact CE1-CD 4.11Å; F266-K270 HydrophobicContact CZ-CD 4.45Å; F266-K270 PolarHBondContact O-N 3.3Å; F266-K270 VanDerWaalsContact O-N 3.11Å
267E71.6Confident56.1Low76 Ų76102.8 Ų102.836%0.35551%0.511SS..Hα-helixtrans-69.8-40.1175.4-73.4-171.7-150.600112.2R263 E264 K270 R271R263-E267 WeakPolarHBondContact O-CB 3.43Å; R263-E267 WeakPolarHBondContact O-CG 3.35Å; R263-E267 PolarHBondContact O-N 3.11Å; E264-E267 PolarHBondContact O-N 2.86Å; E267-K270 WeakPolarHBondContact O-CB 3.3Å; E267-K270 PolarHBondContact O-N 3.43Å; E267-R271 VanDerWaalsContact O-CG 3.23Å; E267-R271 WeakPolarHBondContact O-CG 3.42Å; E267-R271 PolarHBondContact O-N 3Å; E267-R271 IonicContact OE2-CZ 3.56Å; E267-R271 IonicContact OE2-NH2 3.47Å; E267-R271 PolarHBondContact OE2-NH2 3.11Å
268H65.1Low55.2Low119 Ų119109.2 Ų109.255%0.55154%0.536SS*.Hα-helixtrans-62.5-48.9176.1-165.8-64.2000110.3E264 E265 K270 R271 T272E264-H268 WeakPolarHBondContact O-CB 3.17Å; E264-H268 PolarHBondContact O-N 2.74Å; E265-H268 PolarHBondContact O-N 3.46Å; H268-K270 VanDerWaalsContact C-N 3.26Å; H268-K270 PolarHBondContact O-N 2.86Å; H268-R271 CarbonylContact O-C 3.51Å; H268-R271 PolarHBondContact O-N 3.05Å; H268-T272 VanDerWaalsContact CE1-CG2 3.42Å; H268-T272 WeakPolarHBondContact CE1-CG2 2.95Å; H268-T272 WeakPolarHBondContact ND1-CG2 3.43Å; H268-T272 PolarHBondContact O-N 2.8Å; H268-T272 PolarHBondContact O-OG1 3.03Å; H268-T272 VanDerWaalsContact O-OG1 3.05Å
269R58.7Low54.5Low152 Ų152109.2 Ų109.257%0.57455%0.547SS*.Hα-helixtrans-57.4-36.8174.1-73.6168.5176-127.814.7112.2E265 T273E265-R269 VanDerWaalsContact O-CB 3.3Å; E265-R269 WeakPolarHBondContact O-CB 3.47Å; E265-R269 WeakPolarHBondContact O-CG 3.23Å; E265-R269 PolarHBondContact O-N 3.29Å; E265-R269 IonicContact OE1-CZ 2.8Å; E265-R269 IonicContact OE1-NE 2.72Å; E265-R269 PolarHBondContact OE1-NE 3.47Å; E265-R269 IonicContact OE1-NH2 2.73Å; E265-R269 PolarHBondContact OE1-NH2 2.9Å; E265-R269 IonicContact OE2-CZ 3.12Å; E265-R269 IonicContact OE2-NE 3.21Å; E265-R269 IonicContact OE2-NH2 2.8Å; R269-T273 PolarHBondContact O-N 3.49Å; R269-T273 PolarHBondContact O-OG1 3.5Å
270K51.2Low53.7Low144 Ų144111 Ų11163%0.62656%0.563SS**Hα-helixtrans-64.9-45.3171.3-96.7-172.6169.3-168.70112.8F266 E267 H268F266-K270 HydrophobicContact CE1-CD 4.11Å; F266-K270 HydrophobicContact CZ-CD 4.45Å; F266-K270 PolarHBondContact O-N 3.3Å; F266-K270 VanDerWaalsContact O-N 3.11Å; E267-K270 WeakPolarHBondContact O-CB 3.3Å; E267-K270 PolarHBondContact O-N 3.43Å; H268-K270 VanDerWaalsContact C-N 3.26Å; H268-K270 PolarHBondContact O-N 2.86Å
271R53.3Low52.2Low171 Ų171118.4 Ų118.465%0.64559%0.593SS**Hα-helixtrans-68.9-38.3-179.8-65.6168.1-157.1-151.610.9111.9E267 H268 T273 S274E267-R271 VanDerWaalsContact O-CG 3.23Å; E267-R271 WeakPolarHBondContact O-CG 3.42Å; E267-R271 PolarHBondContact O-N 3Å; E267-R271 IonicContact OE2-CZ 3.56Å; E267-R271 IonicContact OE2-NH2 3.47Å; E267-R271 PolarHBondContact OE2-NH2 3.11Å; H268-R271 CarbonylContact O-C 3.51Å; H268-R271 PolarHBondContact O-N 3.05Å; R271-T273 PolarHBondContact O-N 3.23Å; R271-S274 PolarHBondContact O-OG 2.78Å; R271-S274 VanDerWaalsContact O-OG 3.12Å
272T46.8Very low50.4Low77 Ų77125 Ų12547%0.47261%0.61SS.*THydrogen-bonded Turntrans-92.315.7-179.265.50000114.5H268 S274H268-T272 VanDerWaalsContact CE1-CG2 3.42Å; H268-T272 WeakPolarHBondContact CE1-CG2 2.95Å; H268-T272 WeakPolarHBondContact ND1-CG2 3.43Å; H268-T272 PolarHBondContact O-N 2.8Å; H268-T272 PolarHBondContact O-OG1 3.03Å; H268-T272 VanDerWaalsContact O-OG1 3.05Å; T272-S274 PolarHBondContact O-N 3.31Å
273T44.9Very low48.9Very low125 Ų125132.2 Ų132.277%0.76764%0.642SS**THydrogen-bonded Turntrans-75.2-9.6163.7-61.70000111.1R269 R271R269-T273 PolarHBondContact O-N 3.49Å; R269-T273 PolarHBondContact O-OG1 3.5Å; R271-T273 PolarHBondContact O-N 3.23Å
274S40.6Very low47.3Very low81 Ų81132.4 Ų132.457%0.56665%0.649SS**SBendtrans-106.9136.4162.247.30000111.7R271 T272R271-S274 PolarHBondContact O-OG 2.78Å; R271-S274 VanDerWaalsContact O-OG 3.12Å; T272-S274 PolarHBondContact O-N 3.31Å
275V43.3Very low45.5Very low131 Ų131133 Ų13379%0.79466%0.662SS**  trans76.6127176.3-166.60000116.3
276P34.3Very low43.8Very low108 Ų108136.1 Ų136.170%0.70168%0.677SS**  trans-109.2177.4-177.741.5-35.9000115.8
277H36Very low41.7Very low156 Ų156137.4 Ų137.472%0.72269%0.688SS**  trans76.2147.4171.6-81.317.4000117
278K37.4Very low39.8Very low164 Ų164142 Ų14271%0.71371%0.707SS**  cis-162.8143.8-12.2-126.7173.6-176.5151.40110
279P39.2Very low37.9Very low125 Ų125144 Ų14481%0.81272%0.716SS**  trans-112.5146.1-175.739-32.7000117.1
280P36.2Very low36.4Very low113 Ų113141.3 Ų141.373%0.73472%0.721SS**  trans-136.8164.814738-24.4000112.4
281K33.8Very low35.4Very low207 Ų207144.2 Ų144.290%0.973%0.733SS**  cis-158.5156.6-12.7-111.8175.5-178.3179.90108.4
282Y26.9Very low34.1Very low199 Ų199146.5 Ų146.578%0.7874%0.743SS**  trans-76.5150.3-179.8-104.9-110.9000114.6Q284Y282-Q284 HydrophobicContact CD1-CG 4.27Å; Y282-Q284 HydrophobicContact CE1-CG 4.32Å
283Q33.1Very low33.2Very low197 Ų197148.3 Ų148.392%0.92176%0.755SS**  trans-142.2138.2136.2-69.3-163.9-2.500110.9
284Q34.6Very low32.7Very low148 Ų148151.6 Ų151.669%0.69276%0.761SS**  trans-128.2162.9161.5-67-176.8-13.500106.7Y282Y282-Q284 HydrophobicContact CD1-CG 4.27Å; Y282-Q284 HydrophobicContact CE1-CG 4.32Å
285P33.1Very low32.3Very low112 Ų112155.6 Ų155.673%0.72777%0.769SS**  -150.3145.495.936-18.4000116.5
286Q28.9Very low31.7Very low160 Ų160159.3 Ų159.375%0.74877%0.77SS**  45144.4128.6-50.3-176.4-0.800120.3
287N26.9Very low31.4Very low121 Ų121157.4 Ų157.465%0.64777%0.77SS**  cis-174.816545.5-136.2-31.4000112.7
288K31.8Very low31.4Very low173 Ų173156.4 Ų156.475%0.75278%0.775SS**  trans66.4151163.1-62.1169.4-176.7177.10118.9
289E25.6Very low30.9Very low160 Ų160158.2 Ų158.275%0.74878%0.783SS**  cis-170.3152.4-37.2-123.5177.9146.100109.7
290S26.2Very low30.6Very low96 Ų96159.8 Ų159.867%0.67178%0.779SS**  trans44.7100.8146.3-59.20000121
291K31.8Very low30.5Very low204 Ų204158.6 Ų158.689%0.88778%0.779SS**  -174.1140.296.2-98.6170.1-176.2-178.40114.4
292Y25.8Very low30.7Very low219 Ų219152.8 Ų152.886%0.85977%0.77SS**  trans-90.1169.6159.4-94-116.4000109.8
293T26.8Very low31Very low116 Ų116151.4 Ų151.471%0.71277%0.77SS**  trans82.5105.7161.4-35.80000117
294E34.3Very low31.3Very low193 Ų193149.4 Ų149.490%0.90276%0.759SS**  -180118.9119.8-96.7164.7-167.400108.4
295F31.8Very low31.8Very low165 Ų165147.2 Ų147.272%0.72475%0.751SS**  cis92.874.223.3-157.7-92.2000115.3
296Y31.4Very low32.1Very low210 Ų210145.8 Ų145.882%0.82474%0.744SS**  trans55.8117.8156.1-59.5-78.4000121.1
297G29Very low32.7Very low67 Ų67141.4 Ų141.469%0.69174%0.735SS**  trans169.499.6154.800000111.5
298T34.5Very low33.3Very low135 Ų135137.2 Ų137.283%0.82872%0.717SS**  46.5109.677.866.30000116
299F27.8Very low33.7Very low203 Ų203137.5 Ų137.589%0.8971%0.713SS**  -164.3-167.7123.9-121.5-94.8000109.9
300E33.2Very low34.2Very low157 Ų157137.4 Ų137.473%0.73472%0.717SS**  trans64.641171.9-60.4-167.8-179.500119.5
301A34.2Very low35.1Very low88 Ų88138.9 Ų138.973%0.72772%0.717SS**  trans-94.3-0.8170.300000115.2
302A37.2Very low35.5Very low85 Ų85134.7 Ų134.770%0.70270%0.699SS**SBendtrans-92-46.5-16700000115
303E33.2Very low36Very low170 Ų170131.7 Ų131.779%0.79469%0.692SS**THydrogen-bonded Turntrans-77.6-31.3-163-166.8165.6-167.100113.9L305 S306E303-L305 PolarHBondContact O-N 3.44Å; E303-S306 PolarHBondContact O-OG 3.22Å
304K39Very low36.3Very low156 Ų156132.9 Ų132.968%0.67870%0.695SS**Hα-helixtrans-69.1-2.6-177.6-67.4164.8-177.4157.50114.1A308K304-A308 VanDerWaalsContact O-CB 3.24Å; K304-A308 WeakPolarHBondContact O-CB 3.43Å
305L44.7Very low36.6Very low101 Ų101126.4 Ų126.453%0.52967%0.671SS.*Hα-helixtrans-93.5-10.7-174.8-78.8166.7000115.6E303 R309E303-L305 PolarHBondContact O-N 3.44Å; L305-R309 PolarHBondContact O-NH1 3.43Å
306S40.1Very low36.8Very low83 Ų83127 Ų12758%0.5867%0.668SS**Hα-helixtrans-86.8-63.1176.255.30000111.2E303 A308 R309E303-S306 PolarHBondContact O-OG 3.22Å; S306-A308 PolarHBondContact O-N 3.43Å; S306-R309 PolarHBondContact O-N 3.31Å
307A40.8Very low37Very low68 Ų68124.9 Ų124.956%0.56267%0.666SS**Hα-helixtrans-54.8-37.7179.700000112.7R309A307-R309 PolarHBondContact O-N 2.98Å; A307-R309 VanDerWaalsContact O-N 3.09Å
308A40.5Very low37.5Very low32 Ų32127.7 Ų127.726%0.26466%0.661SS.*Hα-helixtrans-66.8-6.6179.600000115K304 S306 K312K304-A308 VanDerWaalsContact O-CB 3.24Å; K304-A308 WeakPolarHBondContact O-CB 3.43Å; S306-A308 PolarHBondContact O-N 3.43Å; A308-K312 VanDerWaalsContact O-CB 3.27Å; A308-K312 WeakPolarHBondContact O-CB 3.14Å; A308-K312 WeakPolarHBondContact O-CD 3.4Å; A308-K312 WeakPolarHBondContact O-CG 3.23Å
309R39.1Very low38Very low179 Ų179127 Ų12768%0.67565%0.651SS**Hα-helixtrans-87.7-37.8179.3-78.3-177.5167.3107.7-14.6114.1L305 S306 A307L305-R309 PolarHBondContact O-NH1 3.43Å; S306-R309 PolarHBondContact O-N 3.31Å; A307-R309 PolarHBondContact O-N 2.98Å; A307-R309 VanDerWaalsContact O-N 3.09Å
310L37.9Very low38.9Very low158 Ų158122 Ų12283%0.82764%0.637SS**Hα-helixtrans-76.2-41.2-176.8-73.8167.2000112.2K312L310-K312 VanDerWaalsContact C-N 3.28Å; L310-K312 PolarHBondContact O-N 3.47Å
311L43.5Very low39.7Very low127 Ų127120.9 Ų120.967%0.66563%0.632SS**Hα-helixtrans-65-31.8174-67.7168.4000112.5Q313 N314 S315L311-Q313 VanDerWaalsContact C-N 3.26Å; L311-Q313 PolarHBondContact O-N 3.04Å; L311-Q313 VanDerWaalsContact O-N 3.12Å; L311-N314 PolarHBondContact O-N 3.1Å; L311-S315 PolarHBondContact O-N 2.89Å; L311-S315 PolarHBondContact O-OG 3.5Å
312K40Very low40.8Very low117 Ų117120 Ų12051%0.50962%0.615SS.*Hα-helixtrans-65.7-14.8-171.4-99.3-178.4-169.9168.70116.1A308 L310 R316A308-K312 VanDerWaalsContact O-CB 3.27Å; A308-K312 WeakPolarHBondContact O-CB 3.14Å; A308-K312 WeakPolarHBondContact O-CD 3.4Å; A308-K312 WeakPolarHBondContact O-CG 3.23Å; L310-K312 VanDerWaalsContact C-N 3.28Å; L310-K312 PolarHBondContact O-N 3.47Å; K312-R316 VanDerWaalsContact O-CB 3.23Å; K312-R316 WeakPolarHBondContact O-CB 3.39Å; K312-R316 VanDerWaalsContact O-CD 3.28Å; K312-R316 WeakPolarHBondContact O-CD 3.48Å; K312-R316 WeakPolarHBondContact O-CG 3.34Å
313Q37.1Very low42.6Very low155 Ų155117.2 Ų117.272%0.72459%0.591SS**Hα-helixtrans-79-50.9176.4-69.6-166.3-7.800111.4L311 R316L311-Q313 VanDerWaalsContact C-N 3.26Å; L311-Q313 PolarHBondContact O-N 3.04Å; L311-Q313 VanDerWaalsContact O-N 3.12Å; Q313-R316 PolarHBondContact O-N 2.86Å
314N33.8Very low45Very low142 Ų142109.9 Ų109.976%0.75956%0.556SS**Hα-helixtrans-69.9-39.7179.2-682.4000112.1L311 R316L311-N314 PolarHBondContact O-N 3.1Å; N314-R316 PolarHBondContact O-N 3.42Å
315S40.1Very low47Very low57 Ų57108.8 Ų108.840%0.39955%0.553SS.*Hα-helixtrans-64.5-23.2176.4-53.60000113.5L311 Q317 H318 L319L311-S315 PolarHBondContact O-N 2.89Å; L311-S315 PolarHBondContact O-OG 3.5Å; S315-Q317 PolarHBondContact O-N 3.36Å; S315-H318 PolarHBondContact O-N 3.32Å; S315-L319 WeakPolarHBondContact O-CB 3.43Å; S315-L319 WeakPolarHBondContact O-CD1 3.38Å; S315-L319 PolarHBondContact O-N 3.01Å
316R36Very low48.9Very low176 Ų176105.9 Ų105.966%0.66454%0.539SS*.Hα-helixtrans-70.3-27.8-172.2-105.8176.5171.5-178.5-5.4114.8K312 Q313 N314K312-R316 VanDerWaalsContact O-CB 3.23Å; K312-R316 WeakPolarHBondContact O-CB 3.39Å; K312-R316 VanDerWaalsContact O-CD 3.28Å; K312-R316 WeakPolarHBondContact O-CD 3.48Å; K312-R316 WeakPolarHBondContact O-CG 3.34Å; Q313-R316 PolarHBondContact O-N 2.86Å; N314-R316 PolarHBondContact O-N 3.42Å
317Q34.5Very low51.1Low167 Ų167102.7 Ų102.778%0.7852%0.515SS*.Hα-helixtrans-76.2-46.3174.9-70.4177.1-20.800110.1S315 L319 V320S315-Q317 PolarHBondContact O-N 3.36Å; Q317-L319 VanDerWaalsContact C-N 3.32Å; Q317-L319 PolarHBondContact O-N 2.84Å; Q317-V320 PolarHBondContact O-N 3.03Å
318H39.6Very low53.2Low126 Ų126100.6 Ų100.658%0.58349%0.494SS*.Hα-helixtrans-68.8-22.5179.9-164.4-95.3000114.5S315 N322S315-H318 PolarHBondContact O-N 3.32Å; H318-N322 PolarHBondContact CE1-ND2 3.37Å; H318-N322 VanDerWaalsContact CE1-ND2 3.28Å; H318-N322 PolarHBondContact ND1-ND2 2.96Å; H318-N322 PolarHBondContact O-ND2 2.97Å
319L44.8Very low55.4Low119 Ų119104.9 Ų104.962%0.62351%0.509SS*.Hα-helixtrans-72.6-26.4177.7-11476.2000114.1S315 Q317S315-L319 WeakPolarHBondContact O-CB 3.43Å; S315-L319 WeakPolarHBondContact O-CD1 3.38Å; S315-L319 PolarHBondContact O-N 3.01Å; Q317-L319 VanDerWaalsContact C-N 3.32Å; Q317-L319 PolarHBondContact O-N 2.84Å
320V46.8Very low57.6Low98 Ų98101 Ų10159%0.59450%0.496SS*.Hα-helixtrans-75.5-37.1-172.9176.60000111.6Q317 N322 T326Q317-V320 PolarHBondContact O-N 3.03Å; V320-N322 VanDerWaalsContact C-N 3.3Å; V320-N322 PolarHBondContact O-N 3.47Å; V320-T326 PolarHBondContact O-OG1 2.89Å; V320-T326 VanDerWaalsContact O-OG1 3.13Å
321E50Low60Low134 Ų13493.4 Ų93.463%0.62646%0.457SS*.Hα-helixtrans-74.2-21.3-179.3-58.1-158.4115.400113.7
322N58.4Low62Low69 Ų6992.9 Ų92.937%0.36945%0.449SS..THydrogen-bonded Turntrans-102.715.3-176.3-70.5-39.3000113.8H318 V320 F373H318-N322 PolarHBondContact CE1-ND2 3.37Å; H318-N322 VanDerWaalsContact CE1-ND2 3.28Å; H318-N322 PolarHBondContact ND1-ND2 2.96Å; H318-N322 PolarHBondContact O-ND2 2.97Å; V320-N322 VanDerWaalsContact C-N 3.3Å; V320-N322 PolarHBondContact O-N 3.47Å; N322-F373 VanDerWaalsContact O-CD2 3.29Å; N322-F373 WeakPolarHBondContact O-CD2 3.49Å; N322-F373 WeakPolarHBondContact O-CE2 3.47Å
323S74.9Confident64.1Low28 Ų2893.3 Ų93.320%0.19645%0.453CS..  trans-70141.2172.2-177.80000111.1E325 T326 Y327S323-E325 PolarHBondContact O-N 3.03Å; S323-E325 PolarHBondContact OG-N 3.35Å; S323-T326 WeakPolarHBondContact CB-OG1 3.25Å; S323-T326 PolarHBondContact N-OG1 2.82Å; S323-T326 PolarHBondContact O-N 3.16Å; S323-T326 PolarHBondContact O-OG1 3Å; S323-T326 VanDerWaalsContact O-OG1 3.12Å; S323-Y327 PolarHBondContact O-N 3.41Å
324Y82.9Confident66.4Low16 Ų1687.3 Ų87.36%0.06342%0.424CS..Hα-helixtrans-55.7-33.4170.1173.5-100.3000112.6L328 F373 V374 S380 L384Y324-L328 HydrophobicContact CD1-CD1 4.05Å; Y324-L328 HydrophobicContact CD1-CG 4.43Å; Y324-L328 HydrophobicContact CE1-CD1 3.29Å; Y324-L328 HydrophobicContact CE1-CG 3.89Å; Y324-L328 HydrophobicContact CE2-CD1 4.42Å; Y324-L328 HydrophobicContact CE2-CG 4.2Å; Y324-L328 WeakPolarHBondContact O-CB 3.24Å; Y324-L328 PolarHBondContact O-N 3.18Å; Y324-F373 VanDerWaalsContact CB-O 3.31Å; Y324-F373 WeakPolarHBondContact CB-O 3.28Å; Y324-F373 HydrophobicContact CD2-CD1 4.33Å; Y324-F373 AromaticContact CD2-CE1 3.79Å; Y324-F373 HydrophobicContact CD2-CE1 3.79Å; Y324-F373 HydrophobicContact CD2-CZ 4.11Å; Y324-V374 HydrophobicContact CD2-CG2 4.35Å; Y324-S380 VanDerWaalsContact CE1-CB 3.44Å; Y324-S380 WeakPolarHBondContact CE1-OG 3.36Å; Y324-S380 VanDerWaalsContact CZ-CB 3.46Å; Y324-S380 VanDerWaalsContact OH-CA 3.3Å; Y324-S380 WeakPolarHBondContact OH-CA 3.47Å; Y324-S380 PolarHBondContact OH-O 2.83Å; Y324-L384 HydrophobicContact CD2-CD1 4.4Å; Y324-L384 HydrophobicContact CE2-CD1 3.92Å; Y324-L384 HydrophobicContact CE2-CD2 4.18Å; Y324-L384 HydrophobicContact CE2-CG 3.9Å
325E81.8Confident68.7Low133 Ų13383 Ų8362%0.62140%0.402SS*.Hα-helixtrans-69.3-46.9178.6-61.7176.9143.300111.7S323 Y327 L328 E329S323-E325 PolarHBondContact O-N 3.03Å; S323-E325 PolarHBondContact OG-N 3.35Å; E325-Y327 VanDerWaalsContact C-N 3.34Å; E325-Y327 PolarHBondContact O-N 2.97Å; E325-L328 WeakPolarHBondContact O-CB 3.4Å; E325-L328 PolarHBondContact O-N 3.35Å; E325-L328 VanDerWaalsContact O-N 3.15Å; E325-E329 PolarHBondContact O-N 3.12Å
326T83.6Confident70.6Confident39 Ų3987 Ų8724%0.23942%0.418CS..Hα-helixtrans-71.2-30.5179.255.60000111.8V320 S323 K330V320-T326 PolarHBondContact O-OG1 2.89Å; V320-T326 VanDerWaalsContact O-OG1 3.13Å; S323-T326 WeakPolarHBondContact CB-OG1 3.25Å; S323-T326 PolarHBondContact N-OG1 2.82Å; S323-T326 PolarHBondContact O-N 3.16Å; S323-T326 PolarHBondContact O-OG1 3Å; S323-T326 VanDerWaalsContact O-OG1 3.12Å; T326-K330 VanDerWaalsContact O-CG 3.28Å; T326-K330 WeakPolarHBondContact O-CG 3.39Å; T326-K330 PolarHBondContact O-N 3.14Å
327Y87.3Confident72.4Confident16 Ų1681.3 Ų81.36%0.06341%0.406CS..Hα-helixtrans-63.3-47.1165.5169.9-88.6000112S323 E325 E329 K330 W331 L349 P351 F373 L384 W388S323-Y327 PolarHBondContact O-N 3.41Å; E325-Y327 VanDerWaalsContact C-N 3.34Å; E325-Y327 PolarHBondContact O-N 2.97Å; Y327-E329 VanDerWaalsContact C-N 3.32Å; Y327-E329 PolarHBondContact O-N 3.42Å; Y327-K330 PolarHBondContact O-N 3.23Å; Y327-W331 HydrophobicContact CE1-CB 4.16Å; Y327-W331 HydrophobicContact CE1-CG 4.39Å; Y327-W331 VanDerWaalsContact O-CB 3.31Å; Y327-W331 WeakPolarHBondContact O-CB 3.34Å; Y327-W331 PolarHBondContact O-N 3.37Å; Y327-L349 PolarHBondContact OH-O 3.14Å; Y327-P351 HydrophobicContact CE2-CB 4.39Å; Y327-F373 HydrophobicContact CD1-CE1 4.49Å; Y327-F373 HydrophobicContact CD1-CZ 4Å; Y327-F373 HydrophobicContact CD2-CZ 4.42Å; Y327-F373 AromaticContact CG-CZ 3.77Å; Y327-F373 HydrophobicContact CG-CZ 3.77Å; Y327-L384 HydrophobicContact CE1-CD2 3.95Å; Y327-W388 WeakPolarHBondContact OH-CZ2 3.48Å; Y327-W388 PolarHBondContact OH-NE1 2.97Å
328L85.4Confident73.8Confident25 Ų2579.3 Ų79.313%0.13140%0.4CS..Hα-helixtrans-61.6-37.8179.7-96-173.5000112.7Y324 E325 W331 K332 Q383Y324-L328 HydrophobicContact CD1-CD1 4.05Å; Y324-L328 HydrophobicContact CD1-CG 4.43Å; Y324-L328 HydrophobicContact CE1-CD1 3.29Å; Y324-L328 HydrophobicContact CE1-CG 3.89Å; Y324-L328 HydrophobicContact CE2-CD1 4.42Å; Y324-L328 HydrophobicContact CE2-CG 4.2Å; Y324-L328 WeakPolarHBondContact O-CB 3.24Å; Y324-L328 PolarHBondContact O-N 3.18Å; E325-L328 WeakPolarHBondContact O-CB 3.4Å; E325-L328 PolarHBondContact O-N 3.35Å; E325-L328 VanDerWaalsContact O-N 3.15Å; L328-W331 PolarHBondContact O-N 2.99Å; L328-K332 WeakPolarHBondContact O-CB 3.46Å; L328-K332 VanDerWaalsContact O-CG 3.25Å; L328-K332 WeakPolarHBondContact O-CG 3.29Å; L328-K332 PolarHBondContact O-N 3.23Å; L328-Q383 HydrophobicContact CD2-CG 4.37Å
329E85.7Confident74.9Confident122 Ų12281.4 Ų81.457%0.5741%0.41SS*.Hα-helixtrans-66-47.6176.3-71.9-175.1147.700111.5E325 Y327 W331 K332 Q333E325-E329 PolarHBondContact O-N 3.12Å; Y327-E329 VanDerWaalsContact C-N 3.32Å; Y327-E329 PolarHBondContact O-N 3.42Å; E329-W331 VanDerWaalsContact C-N 3.32Å; E329-W331 PolarHBondContact O-N 3.15Å; E329-K332 PolarHBondContact O-N 2.92Å; E329-Q333 VanDerWaalsContact O-CG 3.31Å; E329-Q333 WeakPolarHBondContact O-CG 3.39Å; E329-Q333 PolarHBondContact O-N 2.82Å
330K85.6Confident75.6Confident96 Ų9680.7 Ų80.742%0.41742%0.415SS..Hα-helixtrans-59.2-41.9174-68.2170.4-178.2178.10111.6T326 Y327 Q333 F334 L349T326-K330 VanDerWaalsContact O-CG 3.28Å; T326-K330 WeakPolarHBondContact O-CG 3.39Å; T326-K330 PolarHBondContact O-N 3.14Å; Y327-K330 PolarHBondContact O-N 3.23Å; K330-Q333 PolarHBondContact O-N 3.23Å; K330-F334 WeakPolarHBondContact O-CB 3.27Å; K330-F334 PolarHBondContact O-N 2.89Å; K330-L349 HydrophobicContact CB-CD1 3.94Å; K330-L349 WeakPolarHBondContact O-CD1 3.34Å
331W87.4Confident76.6Confident0 Ų079.5 Ų79.50%041%0.408CS..Hα-helixtrans-65-41.2177179.8-120.9000112.8Y327 L328 E329 F334 L335 L349 D387 W388 F393 F397Y327-W331 HydrophobicContact CE1-CB 4.16Å; Y327-W331 HydrophobicContact CE1-CG 4.39Å; Y327-W331 VanDerWaalsContact O-CB 3.31Å; Y327-W331 WeakPolarHBondContact O-CB 3.34Å; Y327-W331 PolarHBondContact O-N 3.37Å; L328-W331 PolarHBondContact O-N 2.99Å; E329-W331 VanDerWaalsContact C-N 3.32Å; E329-W331 PolarHBondContact O-N 3.15Å; W331-F334 AromaticContact CE3-CD1 3.85Å; W331-F334 HydrophobicContact CE3-CD1 3.85Å; W331-F334 HydrophobicContact CH2-CD1 4.45Å; W331-F334 AromaticContact CZ3-CD1 3.58Å; W331-F334 HydrophobicContact CZ3-CD1 3.58Å; W331-F334 AromaticContact CZ3-CE1 3.84Å; W331-F334 HydrophobicContact CZ3-CE1 3.84Å; W331-F334 PolarHBondContact O-N 2.73Å; W331-L335 HydrophobicContact CD2-CD1 4.4Å; W331-L335 HydrophobicContact CD2-CG 4.42Å; W331-L335 HydrophobicContact CG-CD1 4.4Å; W331-L335 HydrophobicContact CZ2-CD1 4.43Å; W331-L335 HydrophobicContact CZ2-CD2 4.2Å; W331-L335 HydrophobicContact CZ2-CG 4.36Å; W331-L335 WeakPolarHBondContact O-CG 3.24Å; W331-L335 PolarHBondContact O-N 2.78Å; W331-L349 HydrophobicContact CE3-CB 4.27Å; W331-D387 HydrophobicContact CZ2-CB 4.15Å; W331-D387 VanDerWaalsContact NE1-CG 3.34Å; W331-D387 PolarHBondContact NE1-OD2 3.4Å; W331-D387 VanDerWaalsContact NE1-OD2 3.14Å; W331-W388 HydrophobicContact CH2-CZ2 4.36Å; W331-W388 HydrophobicContact CZ3-CZ2 4.37Å; W331-F393 HydrophobicContact CH2-CE2 4.13Å; W331-F397 AromaticContact CH2-CE2 3.84Å; W331-F397 HydrophobicContact CH2-CE2 3.84Å; W331-F397 HydrophobicContact CH2-CZ 4.03Å; W331-F397 HydrophobicContact CZ2-CE2 4.44Å
332K85.3Confident77.7Confident115 Ų11578.1 Ų78.150%0.541%0.405SS..Hα-helixtrans-66.4-39.6173.7-74168.7-177.2175.90112.3L328 E329 F334 L335 N336L328-K332 WeakPolarHBondContact O-CB 3.46Å; L328-K332 VanDerWaalsContact O-CG 3.25Å; L328-K332 WeakPolarHBondContact O-CG 3.29Å; L328-K332 PolarHBondContact O-N 3.23Å; E329-K332 PolarHBondContact O-N 2.92Å; K332-F334 VanDerWaalsContact C-N 3.33Å; K332-L335 PolarHBondContact O-N 2.94Å; K332-N336 WeakPolarHBondContact O-CB 3.37Å; K332-N336 VanDerWaalsContact O-CG 3.24Å; K332-N336 PolarHBondContact O-N 3.23Å; K332-N336 PolarHBondContact O-OD1 2.85Å
333Q85Confident78.6Confident126 Ų12675.1 Ų75.159%0.58939%0.389SS*.Hα-helixtrans-61.3-42.8173.2-71.7168.22.200111.1E329 K330 N336 S337E329-Q333 VanDerWaalsContact O-CG 3.31Å; E329-Q333 WeakPolarHBondContact O-CG 3.39Å; E329-Q333 PolarHBondContact O-N 2.82Å; K330-Q333 PolarHBondContact O-N 3.23Å; Q333-N336 CarbonylContact O-C 3.57Å; Q333-N336 PolarHBondContact O-N 2.65Å; Q333-S337 PolarHBondContact O-N 2.8Å; Q333-S337 VanDerWaalsContact O-N 3.08Å; Q333-S337 PolarHBondContact O-OG 2.8Å
334F84.9Confident78.8Confident29 Ų2976.6 Ų76.613%0.12739%0.394CS..Hα-helixtrans-65.2-42.6175.4179.9-101.6000113.2K330 W331 K332 N336 S337 L343 D347 L349 F397K330-F334 WeakPolarHBondContact O-CB 3.27Å; K330-F334 PolarHBondContact O-N 2.89Å; W331-F334 AromaticContact CE3-CD1 3.85Å; W331-F334 HydrophobicContact CE3-CD1 3.85Å; W331-F334 HydrophobicContact CH2-CD1 4.45Å; W331-F334 AromaticContact CZ3-CD1 3.58Å; W331-F334 HydrophobicContact CZ3-CD1 3.58Å; W331-F334 AromaticContact CZ3-CE1 3.84Å; W331-F334 HydrophobicContact CZ3-CE1 3.84Å; W331-F334 PolarHBondContact O-N 2.73Å; K332-F334 VanDerWaalsContact C-N 3.33Å; F334-N336 VanDerWaalsContact C-N 3.27Å; F334-N336 PolarHBondContact O-N 2.72Å; F334-S337 WeakPolarHBondContact O-CB 3.44Å; F334-S337 PolarHBondContact O-N 3.07Å; F334-S337 VanDerWaalsContact O-N 3.13Å; F334-L343 HydrophobicContact CE2-CD2 4.11Å; F334-L343 HydrophobicContact CZ-CD1 4.15Å; F334-L343 HydrophobicContact CZ-CD2 3.97Å; F334-D347 WeakPolarHBondContact CE2-O 3.35Å; F334-L349 HydrophobicContact CB-CD1 3.69Å; F334-L349 HydrophobicContact CB-CG 4.35Å; F334-L349 HydrophobicContact CD2-CG 4.42Å; F334-L349 HydrophobicContact CG-CD1 4.18Å; F334-L349 HydrophobicContact CG-CG 4.31Å; F334-F397 HydrophobicContact CD1-CE1 4.38Å; F334-F397 HydrophobicContact CD1-CZ 4.16Å; F334-F397 AromaticContact CE1-CE1 3.65Å; F334-F397 HydrophobicContact CE1-CE1 3.65Å; F334-F397 AromaticContact CE1-CZ 3.66Å; F334-F397 HydrophobicContact CE1-CZ 3.66Å; F334-F397 HydrophobicContact CZ-CE1 4.29Å
335L82.4Confident78.7Confident53 Ų5379.3 Ų79.328%0.27741%0.405SS..Hα-helixtrans-60.9-35.4173.7-77.1168.3000112.6W331 K332 S337 F397W331-L335 HydrophobicContact CD2-CD1 4.4Å; W331-L335 HydrophobicContact CD2-CG 4.42Å; W331-L335 HydrophobicContact CG-CD1 4.4Å; W331-L335 HydrophobicContact CZ2-CD1 4.43Å; W331-L335 HydrophobicContact CZ2-CD2 4.2Å; W331-L335 HydrophobicContact CZ2-CG 4.36Å; W331-L335 WeakPolarHBondContact O-CG 3.24Å; W331-L335 PolarHBondContact O-N 2.78Å; K332-L335 PolarHBondContact O-N 2.94Å; L335-S337 VanDerWaalsContact C-N 3.34Å; L335-F397 HydrophobicContact CD2-CE2 4.3Å; L335-F397 HydrophobicContact CD2-CZ 3.81Å
336N79.4Confident78.4Confident139 Ų13979.3 Ų79.374%0.74341%0.409SS*.THydrogen-bonded Turntrans-84.6-3.5177.6-66.9-2000113.5K332 Q333 F334K332-N336 WeakPolarHBondContact O-CB 3.37Å; K332-N336 VanDerWaalsContact O-CG 3.24Å; K332-N336 PolarHBondContact O-N 3.23Å; K332-N336 PolarHBondContact O-OD1 2.85Å; Q333-N336 CarbonylContact O-C 3.57Å; Q333-N336 PolarHBondContact O-N 2.65Å; F334-N336 VanDerWaalsContact C-N 3.27Å; F334-N336 PolarHBondContact O-N 2.72Å
337S75.3Confident78.3Confident58 Ų5880.5 Ų80.541%0.40641%0.414SS..SBendtrans-82.7138.4-176.9-66.30000112.1Q333 F334 L335 Q339 R400Q333-S337 PolarHBondContact O-N 2.8Å; Q333-S337 VanDerWaalsContact O-N 3.08Å; Q333-S337 PolarHBondContact O-OG 2.8Å; F334-S337 WeakPolarHBondContact O-CB 3.44Å; F334-S337 PolarHBondContact O-N 3.07Å; F334-S337 VanDerWaalsContact O-N 3.13Å; L335-S337 VanDerWaalsContact C-N 3.34Å; S337-Q339 PolarHBondContact O-N 2.89Å; S337-R400 PolarHBondContact O-NH1 3.12Å
338D63.1Low77.9Confident125 Ų12580 Ų8067%0.66841%0.413SS*.  trans-39.9127-166.8-66.6-33.3000115.2S340 T341 R400D338-S340 PolarHBondContact O-N 3.34Å; D338-S340 VanDerWaalsContact O-N 3.1Å; D338-T341 PolarHBondContact O-N 3.42Å; D338-T341 PolarHBondContact O-OG1 3.47Å; D338-R400 PolarHBondContact O-NH2 3.45Å
339Q62.3Low77.8Confident170 Ų17082 Ų8279%0.79442%0.423SS*.THydrogen-bonded Turntrans-62.3-20.1-174.9-63.6-179.6-3.700113.9S337 T341 R400S337-Q339 PolarHBondContact O-N 2.89Å; Q339-T341 VanDerWaalsContact C-N 3.26Å; Q339-T341 PolarHBondContact O-N 3.13Å; Q339-R400 PolarHBondContact O-NE 3.4Å
340S60.5Low77.7Confident103 Ų10378.7 Ų78.772%0.7241%0.405SS*.THydrogen-bonded Turntrans-69.1-15.5-178550000114.8D338 L342D338-S340 PolarHBondContact O-N 3.34Å; D338-S340 VanDerWaalsContact O-N 3.1Å; S340-L342 PolarHBondContact O-N 3.5Å
341T68.2Low77.6Confident73 Ų7374.1 Ų74.145%0.44839%0.385SS..SBendtrans-81.5120-177.2490000112.2D338 Q339 R400D338-T341 PolarHBondContact O-N 3.42Å; D338-T341 PolarHBondContact O-OG1 3.47Å; Q339-T341 VanDerWaalsContact C-N 3.26Å; Q339-T341 PolarHBondContact O-N 3.13Å; T341-R400 PolarHBondContact O-NE 3.28Å; T341-R400 PolarHBondContact OG1-NH2 3.27Å
342L72.7Confident77Confident106 Ų10675.6 Ų75.656%0.55540%0.395SS*.PPolyproline II helixtrans-71.8124.4174.3-67173.5000110.8S340 R400 K402S340-L342 PolarHBondContact O-N 3.5Å; L342-R400 CarbonylContact C-O 3.45Å; L342-R400 VanDerWaalsContact CA-O 3.28Å; L342-R400 WeakPolarHBondContact CA-O 3.31Å; L342-K402 HydrophobicContact CB-CG 3.64Å; L342-K402 WeakPolarHBondContact O-CE 3.49Å; L342-K402 PolarHBondContact O-NZ 3.26Å
343L76.2Confident76.6Confident6 Ų671.1 Ų71.13%0.03138%0.375CS..BIsolated β-bridgetrans-93138.7-174.7-61.4174.9000113.1F334 D347 F397 R400 F401 K402F334-L343 HydrophobicContact CE2-CD2 4.11Å; F334-L343 HydrophobicContact CZ-CD1 4.15Å; F334-L343 HydrophobicContact CZ-CD2 3.97Å; L343-D347 HydrophobicContact CD2-CB 4.06Å; L343-F397 HydrophobicContact CD1-CD1 3.59Å; L343-F397 HydrophobicContact CD1-CE1 4.18Å; L343-F397 HydrophobicContact CD1-CG 4.36Å; L343-R400 HydrophobicContact CD1-CB 4.07Å; L343-R400 HydrophobicContact CG-CB 4.23Å; L343-R400 PolarHBondContact N-O 3.29Å; L343-F401 HydrophobicContact CB-CD1 4.24Å; L343-F401 HydrophobicContact CB-CE1 4.35Å; L343-K402 PolarHBondContact O-N 3.18Å
344N79.5Confident75.8Confident58 Ų5865.6 Ų65.631%0.3135%0.35SS..  trans-104.4170.6165.9-161.14.6000110.6N346 D347 K402N344-N346 PolarHBondContact O-N 3.24Å; N344-D347 WeakPolarHBondContact CA-OD2 3.33Å; N344-D347 WeakPolarHBondContact CB-OD2 3.23Å; N344-D347 PolarHBondContact N-OD2 3.12Å; N344-D347 PolarHBondContact O-N 2.97Å; N344-D347 VanDerWaalsContact O-N 3.08Å; N344-K402 HydrophobicContact CB-CD 4.09Å
345Y80.7Confident74.5Confident74 Ų7469.4 Ų69.429%0.2938%0.376SS..G310 helixtrans-58.1-33.9177.5-176.8-87.2000113.5W350 K409 V410 R413Y345-W350 AromaticContact CD2-CZ2 3.89Å; Y345-W350 HydrophobicContact CD2-CZ2 3.89Å; Y345-W350 HydrophobicContact CE1-CZ2 4.41Å; Y345-W350 HydrophobicContact CE2-CH2 4.22Å; Y345-W350 AromaticContact CE2-CZ2 3.61Å; Y345-W350 HydrophobicContact CE2-CZ2 3.61Å; Y345-W350 HydrophobicContact CG-CZ2 4.4Å; Y345-W350 AromaticContact CZ-CZ2 3.89Å; Y345-W350 PolarHBondContact O-NE1 2.93Å; Y345-K409 HydrophobicContact CD2-CB 4.24Å; Y345-V410 HydrophobicContact CD2-CG2 3.8Å; Y345-V410 HydrophobicContact CG-CG2 4.49Å; Y345-R413 HydrophobicContact CE2-CB 4.25Å
346N76.9Confident73Confident132 Ų13269.7 Ų69.771%0.70638%0.38SS*.G310 helixtrans-81.6-16.1179.7-62.73.6000113.1N344 I348N344-N346 PolarHBondContact O-N 3.24Å; N346-I348 PolarHBondContact O-N 3.27Å
347D80.2Confident71.3Confident64 Ų6468.8 Ų68.834%0.34238%0.38SS..G310 helixtrans-83.6-5.2-174.5-50.6-9.8000111F334 L343 N344 K402F334-D347 WeakPolarHBondContact CE2-O 3.35Å; L343-D347 HydrophobicContact CD2-CB 4.06Å; N344-D347 WeakPolarHBondContact CA-OD2 3.33Å; N344-D347 WeakPolarHBondContact CB-OD2 3.23Å; N344-D347 PolarHBondContact N-OD2 3.12Å; N344-D347 PolarHBondContact O-N 2.97Å; N344-D347 VanDerWaalsContact O-N 3.08Å; D347-K402 IonicContact OD2-NZ 3.26Å; D347-K402 PolarHBondContact OD2-NZ 2.89Å
348I80.2Confident69.9Low7 Ų773 Ų734%0.03639%0.393CS..SBendtrans-93.2130.2-179.1-62.7161.9000109.8N346 W350 W388 F393 F401 V410N346-I348 PolarHBondContact O-N 3.27Å; I348-W350 VanDerWaalsContact C-N 3.35Å; I348-W350 HydrophobicContact CB-CZ2 4.09Å; I348-W350 HydrophobicContact CD1-CH2 4.17Å; I348-W350 HydrophobicContact CD1-CZ2 3.77Å; I348-W350 HydrophobicContact CG2-CD2 4Å; I348-W350 HydrophobicContact CG2-CE3 4.24Å; I348-W350 HydrophobicContact CG2-CH2 4.29Å; I348-W350 HydrophobicContact CG2-CZ2 4.04Å; I348-W350 HydrophobicContact CG2-CZ3 4.38Å; I348-W350 PolarHBondContact O-N 2.88Å; I348-W388 HydrophobicContact CG2-CH2 3.88Å; I348-W388 HydrophobicContact CG2-CZ3 4.4Å; I348-F393 HydrophobicContact CD1-CZ 4.32Å; I348-F393 HydrophobicContact CG2-CZ 4.34Å; I348-F401 HydrophobicContact CD1-CE1 4.22Å; I348-V410 HydrophobicContact CD1-CB 4.17Å; I348-V410 HydrophobicContact CD1-CG1 3.52Å; I348-V410 HydrophobicContact CD1-CG2 3.48Å; I348-V410 VanDerWaalsContact CD1-CG2 3.48Å
349L82.8Confident68.8Low66 Ų6674.8 Ų74.835%0.34640%0.401SS..  trans-7484.4172.8-62.7-177.1000111.3Y327 K330 W331 F334 W388Y327-L349 PolarHBondContact OH-O 3.14Å; K330-L349 HydrophobicContact CB-CD1 3.94Å; K330-L349 WeakPolarHBondContact O-CD1 3.34Å; W331-L349 HydrophobicContact CE3-CB 4.27Å; F334-L349 HydrophobicContact CB-CD1 3.69Å; F334-L349 HydrophobicContact CB-CG 4.35Å; F334-L349 HydrophobicContact CD2-CG 4.42Å; F334-L349 HydrophobicContact CG-CD1 4.18Å; F334-L349 HydrophobicContact CG-CG 4.31Å; L349-W388 WeakPolarHBondContact O-CZ2 3.35Å
350W83.3Confident68.1Low52 Ų5274.1 Ų74.120%0.19740%0.403CS..  trans-65.2147.1174.4-58.7104.2000112Y345 I348 W388 V410 R413 V414 I417Y345-W350 AromaticContact CD2-CZ2 3.89Å; Y345-W350 HydrophobicContact CD2-CZ2 3.89Å; Y345-W350 HydrophobicContact CE1-CZ2 4.41Å; Y345-W350 HydrophobicContact CE2-CH2 4.22Å; Y345-W350 AromaticContact CE2-CZ2 3.61Å; Y345-W350 HydrophobicContact CE2-CZ2 3.61Å; Y345-W350 HydrophobicContact CG-CZ2 4.4Å; Y345-W350 AromaticContact CZ-CZ2 3.89Å; Y345-W350 PolarHBondContact O-NE1 2.93Å; I348-W350 VanDerWaalsContact C-N 3.35Å; I348-W350 HydrophobicContact CB-CZ2 4.09Å; I348-W350 HydrophobicContact CD1-CH2 4.17Å; I348-W350 HydrophobicContact CD1-CZ2 3.77Å; I348-W350 HydrophobicContact CG2-CD2 4Å; I348-W350 HydrophobicContact CG2-CE3 4.24Å; I348-W350 HydrophobicContact CG2-CH2 4.29Å; I348-W350 HydrophobicContact CG2-CZ2 4.04Å; I348-W350 HydrophobicContact CG2-CZ3 4.38Å; I348-W350 PolarHBondContact O-N 2.88Å; W350-W388 AromaticContact CE3-CH2 3.69Å; W350-W388 HydrophobicContact CE3-CH2 3.69Å; W350-W388 AromaticContact CE3-CZ3 3.69Å; W350-W388 HydrophobicContact CE3-CZ3 3.69Å; W350-W388 HydrophobicContact CZ3-CE3 4.47Å; W350-W388 HydrophobicContact CZ3-CH2 4Å; W350-W388 AromaticContact CZ3-CZ3 3.52Å; W350-W388 HydrophobicContact CZ3-CZ3 3.52Å; W350-V410 HydrophobicContact CH2-CG1 4.11Å; W350-V410 HydrophobicContact CZ2-CG2 4.44Å; W350-R413 HydrophobicContact CD2-CG 4.46Å; W350-R413 HydrophobicContact CE3-CG 3.85Å; W350-R413 HydrophobicContact CH2-CB 3.65Å; W350-R413 HydrophobicContact CH2-CG 3.73Å; W350-R413 HydrophobicContact CZ2-CB 4.43Å; W350-R413 HydrophobicContact CZ2-CG 4.35Å; W350-R413 HydrophobicContact CZ3-CB 3.78Å; W350-R413 HydrophobicContact CZ3-CG 3.45Å; W350-R413 VanDerWaalsContact CZ3-CG 3.45Å; W350-V414 HydrophobicContact CH2-CG2 4.46Å; W350-V414 HydrophobicContact CZ3-CG2 4.27Å; W350-I417 HydrophobicContact CE3-CD1 3.6Å; W350-I417 HydrophobicContact CZ3-CD1 3.77Å
351P82.4Confident67.7Low0 Ų071.4 Ų71.40%038%0.384CS..  trans-65.6145.3175.8-18.532.9000111.3Y327 F353 C354 W388Y327-P351 HydrophobicContact CE2-CB 4.39Å; P351-F353 VanDerWaalsContact C-N 3.28Å; P351-F353 HydrophobicContact CB-CD1 3.79Å; P351-F353 HydrophobicContact CB-CD2 4.39Å; P351-F353 HydrophobicContact CB-CE1 3.33Å; P351-F353 HydrophobicContact CB-CE2 3.99Å; P351-F353 HydrophobicContact CB-CG 4.3Å; P351-F353 HydrophobicContact CB-CZ 3.44Å; P351-F353 VanDerWaalsContact CB-CZ 3.44Å; P351-F353 HydrophobicContact CG-CE1 4.22Å; P351-F353 HydrophobicContact CG-CE2 4.41Å; P351-F353 HydrophobicContact CG-CZ 3.89Å; P351-F353 PolarHBondContact O-N 2.69Å; P351-C354 WeakPolarHBondContact O-CA 3.29Å; P351-C354 WeakPolarHBondContact O-CB 3.49Å; P351-C354 PolarHBondContact O-N 2.98Å; P351-W388 HydrophobicContact CG-CZ2 3.81Å
352P76Confident67.3Low31 Ų3171.8 Ų71.820%0.20139%0.39CS..G310 helixtrans-63.7-31.1-173.723.3-32.8000113.2C354 T355 F373P352-C354 PolarHBondContact O-N 2.87Å; P352-C354 VanDerWaalsContact O-N 3.13Å; P352-T355 WeakPolarHBondContact O-CB 3.34Å; P352-T355 VanDerWaalsContact O-CG2 3.31Å; P352-T355 WeakPolarHBondContact O-CG2 3.31Å; P352-T355 PolarHBondContact O-N 2.93Å; P352-T355 PolarHBondContact O-OG1 3.46Å; P352-F373 HydrophobicContact CG-CD2 3.71Å; P352-F373 HydrophobicContact CG-CE1 4.3Å; P352-F373 HydrophobicContact CG-CE2 3.33Å; P352-F373 HydrophobicContact CG-CG 4.35Å; P352-F373 HydrophobicContact CG-CZ 3.65Å
353F76.1Confident66.8Low21 Ų2172.3 Ų72.39%0.09239%0.389CS..G310 helixtrans-66.9-5.9172.362.1-100.1000113.9P351 I370 F373 L384 L421P351-F353 VanDerWaalsContact C-N 3.28Å; P351-F353 HydrophobicContact CB-CD1 3.79Å; P351-F353 HydrophobicContact CB-CD2 4.39Å; P351-F353 HydrophobicContact CB-CE1 3.33Å; P351-F353 HydrophobicContact CB-CE2 3.99Å; P351-F353 HydrophobicContact CB-CG 4.3Å; P351-F353 HydrophobicContact CB-CZ 3.44Å; P351-F353 VanDerWaalsContact CB-CZ 3.44Å; P351-F353 HydrophobicContact CG-CE1 4.22Å; P351-F353 HydrophobicContact CG-CE2 4.41Å; P351-F353 HydrophobicContact CG-CZ 3.89Å; P351-F353 PolarHBondContact O-N 2.69Å; F353-I370 HydrophobicContact CB-CG1 4.22Å; F353-I370 HydrophobicContact CD1-CG1 4.22Å; F353-I370 HydrophobicContact CD2-CD1 3.98Å; F353-I370 HydrophobicContact CD2-CG1 3.35Å; F353-I370 HydrophobicContact CE1-CG1 4.44Å; F353-I370 HydrophobicContact CE2-CD1 4.03Å; F353-I370 HydrophobicContact CE2-CG1 3.63Å; F353-I370 HydrophobicContact CG-CG1 3.68Å; F353-I370 HydrophobicContact CZ-CG1 4.18Å; F353-F373 HydrophobicContact CD1-CB 4.36Å; F353-F373 AromaticContact CD1-CD1 3.41Å; F353-F373 HydrophobicContact CD1-CD1 3.41Å; F353-F373 VanDerWaalsContact CD1-CD1 3.41Å; F353-F373 AromaticContact CD1-CE1 3.9Å; F353-F373 HydrophobicContact CD1-CE1 3.9Å; F353-F373 HydrophobicContact CD1-CG 4.06Å; F353-F373 AromaticContact CE1-CD1 3.53Å; F353-F373 HydrophobicContact CE1-CD1 3.53Å; F353-F373 AromaticContact CE1-CE1 3.72Å; F353-F373 HydrophobicContact CE1-CE1 3.72Å; F353-L384 HydrophobicContact CE1-CD1 4.08Å; F353-L384 HydrophobicContact CZ-CD1 4.3Å; F353-L421 HydrophobicContact CZ-CD2 4.07Å
354C68.9Low66.3Low10 Ų1075.5 Ų75.57%0.06841%0.412CS..G310 helixtrans-10817.7175.4-65.90000113.5P351 P352 V356 R413 I417P351-C354 WeakPolarHBondContact O-CA 3.29Å; P351-C354 WeakPolarHBondContact O-CB 3.49Å; P351-C354 PolarHBondContact O-N 2.98Å; P352-C354 PolarHBondContact O-N 2.87Å; P352-C354 VanDerWaalsContact O-N 3.13Å; C354-V356 VanDerWaalsContact C-N 3.31Å; C354-R413 PolarHBondContact O-NH2 3.33Å; C354-I417 HydrophobicContact CB-CD1 4.43Å
355T57.5Low65.8Low109 Ų10976 Ų7667%0.66942%0.417SS*.  trans-70.7-25.8171.647.40000113P352 T357P352-T355 WeakPolarHBondContact O-CB 3.34Å; P352-T355 VanDerWaalsContact O-CG2 3.31Å; P352-T355 WeakPolarHBondContact O-CG2 3.31Å; P352-T355 PolarHBondContact O-N 2.93Å; P352-T355 PolarHBondContact O-OG1 3.46Å; T355-T357 PolarHBondContact O-N 3.48Å
356V50.2Low65.5Low59 Ų5974.3 Ų74.336%0.35841%0.412SS..  trans-73.6121.5-178.3-177.40000111.2C354 Q358 R413C354-V356 VanDerWaalsContact C-N 3.31Å; V356-Q358 HydrophobicContact CG1-CB 3.84Å; V356-Q358 HydrophobicContact CG1-CG 4.36Å; V356-R413 PolarHBondContact O-NH2 3.27Å; V356-R413 VanDerWaalsContact O-NH2 3.12Å
357T45.2Very low65.6Low121 Ų12168.8 Ų68.874%0.74238%0.382SS*.  trans-102.64.2171.548.60000112.7T355T355-T357 PolarHBondContact O-N 3.48Å
358Q44.6Very low65.6Low146 Ų14670 Ų7068%0.68239%0.386SS*.  trans-87118.5-174.9-61.5179.9-4.100111.1V356 N360V356-Q358 HydrophobicContact CG1-CB 3.84Å; V356-Q358 HydrophobicContact CG1-CG 4.36Å; Q358-N360 PolarHBondContact O-N 2.96Å; Q358-N360 VanDerWaalsContact O-N 3.16Å
359I39.9Very low65.6Low162 Ų16272.3 Ų72.383%0.83140%0.403SS*.THydrogen-bonded Turntrans-74.6-3.7-169.9-67.1163.8000113.1
360N47.2Very low65.7Low157 Ų15769.2 Ų69.284%0.8439%0.387SS*.THydrogen-bonded Turntrans-116.819-162.3-60.15000114.7Q358Q358-N360 PolarHBondContact O-N 2.96Å; Q358-N360 VanDerWaalsContact O-N 3.16Å
361S52.6Low65.6Low46 Ų4666.8 Ų66.832%0.32238%0.377SS..SBendtrans-110.9134.5177.144.80000111.8H366S361-H366 PolarHBondContact O-CE1 2.87Å; S361-H366 PolarHBondContact OG-CE1 3.22Å
362S60.6Low65.7Low81 Ų8173.8 Ų73.857%0.56641%0.41SS*.  trans-52.4142.7-170.8-51.60000113.3S364 T365 H366S362-S364 PolarHBondContact O-N 3.37Å; S362-S364 VanDerWaalsContact O-N 3.15Å; S362-T365 PolarHBondContact O-N 2.88Å; S362-T365 VanDerWaalsContact O-N 3.12Å; S362-T365 PolarHBondContact O-OG1 2.91Å; S362-H366 PolarHBondContact O-ND1 2.93Å
363E62.5Low66.1Low117 Ų11773.4 Ų73.455%0.54741%0.405SS..Hα-helixtrans-57.3-35.3-179-58.1-157131.200112.5T365 H366 I367 K423E363-T365 VanDerWaalsContact C-N 3.34Å; E363-T365 PolarHBondContact O-N 2.93Å; E363-H366 PolarHBondContact O-N 3.43Å; E363-I367 WeakPolarHBondContact O-CG1 3.38Å; E363-I367 PolarHBondContact O-N 3.41Å; E363-I367 VanDerWaalsContact O-N 3.1Å; E363-K423 IonicContact OE1-NZ 2.79Å; E363-K423 PolarHBondContact OE1-NZ 3.35Å; E363-K423 IonicContact OE2-NZ 2.71Å; E363-K423 PolarHBondContact OE2-NZ 3.14Å
364S64.8Low66.5Low73 Ų7372.4 Ų72.451%0.5140%0.401SS..Hα-helixtrans-55.4-42.4177.2-43.40000113.3S362 H366 I367 E368S362-S364 PolarHBondContact O-N 3.37Å; S362-S364 VanDerWaalsContact O-N 3.15Å; S364-H366 VanDerWaalsContact C-N 3.31Å; S364-H366 PolarHBondContact O-N 3.24Å; S364-I367 PolarHBondContact O-N 3.24Å; S364-E368 WeakPolarHBondContact O-CG 3.3Å; S364-E368 PolarHBondContact O-N 3.1Å
365T69.5Low67.1Low68 Ų6878.4 Ų78.442%0.41743%0.428SS..Hα-helixtrans-70.7-30.6-176.661.20000111.7S362 E363 S369S362-T365 PolarHBondContact O-N 2.88Å; S362-T365 VanDerWaalsContact O-N 3.12Å; S362-T365 PolarHBondContact O-OG1 2.91Å; E363-T365 VanDerWaalsContact C-N 3.34Å; E363-T365 PolarHBondContact O-N 2.93Å; T365-S369 WeakPolarHBondContact O-CB 3.29Å; T365-S369 PolarHBondContact O-N 3.37Å; T365-S369 PolarHBondContact O-OG 2.71Å
366H73.3Confident68.2Low38 Ų3878.4 Ų78.418%0.17642%0.416CS..Hα-helixtrans-69.6-42.4172.5-66.492.5000111.4S361 S362 E363 S364 S369 I370 L420S361-H366 PolarHBondContact O-CE1 2.87Å; S361-H366 PolarHBondContact OG-CE1 3.22Å; S362-H366 PolarHBondContact O-ND1 2.93Å; E363-H366 PolarHBondContact O-N 3.43Å; S364-H366 VanDerWaalsContact C-N 3.31Å; S364-H366 PolarHBondContact O-N 3.24Å; H366-S369 PolarHBondContact O-N 2.9Å; H366-I370 WeakPolarHBondContact O-CD1 3.15Å; H366-I370 VanDerWaalsContact O-CG1 3.28Å; H366-I370 WeakPolarHBondContact O-CG1 3.33Å; H366-I370 PolarHBondContact O-N 3.16Å; H366-L420 HydrophobicContact CB-CD2 4.26Å
367I79.8Confident69.8Low17 Ų1777.4 Ų77.49%0.08741%0.412CS..Hα-helixtrans-62.5-45.3176.1-69.6164.7000110.6E363 S364 I370 L371 K423 A424 Y427E363-I367 WeakPolarHBondContact O-CG1 3.38Å; E363-I367 PolarHBondContact O-N 3.41Å; E363-I367 VanDerWaalsContact O-N 3.1Å; S364-I367 PolarHBondContact O-N 3.24Å; I367-I370 PolarHBondContact O-N 2.82Å; I367-L371 HydrophobicContact CG2-CD1 3.85Å; I367-L371 VanDerWaalsContact O-CG 3.29Å; I367-L371 WeakPolarHBondContact O-CG 3.36Å; I367-L371 PolarHBondContact O-N 2.67Å; I367-K423 HydrophobicContact CD1-CB 4.05Å; I367-K423 HydrophobicContact CG1-CB 4.32Å; I367-A424 HydrophobicContact CG2-CB 4.28Å; I367-Y427 HydrophobicContact CG2-CD1 3.85Å; I367-Y427 HydrophobicContact CG2-CD2 4.19Å; I367-Y427 HydrophobicContact CG2-CE1 4.49Å; I367-Y427 HydrophobicContact CG2-CG 3.67Å
368E79.4Confident71.6Confident88 Ų8875.8 Ų75.841%0.41141%0.406SS..Hα-helixtrans-65.2-40.3176.3-70.5-176146.300112.2S364 I370 L371 E372S364-E368 WeakPolarHBondContact O-CG 3.3Å; S364-E368 PolarHBondContact O-N 3.1Å; E368-I370 VanDerWaalsContact C-N 3.33Å; E368-I370 PolarHBondContact O-N 2.96Å; E368-L371 PolarHBondContact O-N 2.66Å; E368-L371 VanDerWaalsContact O-N 3.16Å; E368-E372 WeakPolarHBondContact O-CB 3.25Å; E368-E372 PolarHBondContact O-N 3.29Å
369S82.1Confident73.5Confident57 Ų5776.5 Ų76.540%0.39941%0.409SS..Hα-helixtrans-60.8-39.3174.2-59.90000112.8T365 H366 F373T365-S369 WeakPolarHBondContact O-CB 3.29Å; T365-S369 PolarHBondContact O-N 3.37Å; T365-S369 PolarHBondContact O-OG 2.71Å; H366-S369 PolarHBondContact O-N 2.9Å; S369-F373 WeakPolarHBondContact O-CB 3.46Å; S369-F373 PolarHBondContact O-N 2.89Å; S369-F373 VanDerWaalsContact O-N 3.1Å
370I83Confident75.6Confident1 Ų170 Ų701%0.00538%0.378CS..Hα-helixtrans-63.1-48.1173.4-71.4161.5000109.9F353 H366 I367 E368 F373 V374 L420 L421 A424F353-I370 HydrophobicContact CB-CG1 4.22Å; F353-I370 HydrophobicContact CD1-CG1 4.22Å; F353-I370 HydrophobicContact CD2-CD1 3.98Å; F353-I370 HydrophobicContact CD2-CG1 3.35Å; F353-I370 HydrophobicContact CE1-CG1 4.44Å; F353-I370 HydrophobicContact CE2-CD1 4.03Å; F353-I370 HydrophobicContact CE2-CG1 3.63Å; F353-I370 HydrophobicContact CG-CG1 3.68Å; F353-I370 HydrophobicContact CZ-CG1 4.18Å; H366-I370 WeakPolarHBondContact O-CD1 3.15Å; H366-I370 VanDerWaalsContact O-CG1 3.28Å; H366-I370 WeakPolarHBondContact O-CG1 3.33Å; H366-I370 PolarHBondContact O-N 3.16Å; I367-I370 PolarHBondContact O-N 2.82Å; E368-I370 VanDerWaalsContact C-N 3.33Å; E368-I370 PolarHBondContact O-N 2.96Å; I370-F373 PolarHBondContact O-N 2.98Å; I370-V374 HydrophobicContact CG2-CG2 4.36Å; I370-V374 VanDerWaalsContact O-CB 3.25Å; I370-V374 WeakPolarHBondContact O-CB 3.39Å; I370-V374 WeakPolarHBondContact O-CG2 3.48Å; I370-V374 PolarHBondContact O-N 3.39Å; I370-L420 HydrophobicContact CD1-CB 3.92Å; I370-L421 HydrophobicContact CG2-CD2 4.15Å; I370-A424 HydrophobicContact CB-CB 4.21Å; I370-A424 HydrophobicContact CD1-CB 4.27Å; I370-A424 HydrophobicContact CG2-CB 3.7Å
371L82.4Confident77.5Confident0 Ų062.6 Ų62.60%034%0.339CS..Hα-helixtrans-70.9-32.2-175.5-67.8169.5000113.1I367 E368 Q375 Y376 L381 Y427 L428I367-L371 HydrophobicContact CG2-CD1 3.85Å; I367-L371 VanDerWaalsContact O-CG 3.29Å; I367-L371 WeakPolarHBondContact O-CG 3.36Å; I367-L371 PolarHBondContact O-N 2.67Å; E368-L371 PolarHBondContact O-N 2.66Å; E368-L371 VanDerWaalsContact O-N 3.16Å; L371-Q375 CarbonylContact O-C 3.58Å; L371-Q375 WeakPolarHBondContact O-CA 3.32Å; L371-Q375 PolarHBondContact O-N 2.76Å; L371-Y376 HydrophobicContact CB-CD1 3.78Å; L371-Y376 HydrophobicContact CB-CE1 3.56Å; L371-Y376 HydrophobicContact CB-CG 4.44Å; L371-Y376 HydrophobicContact CD1-CD1 4.41Å; L371-Y376 HydrophobicContact CD1-CE1 4.16Å; L371-Y376 HydrophobicContact CD2-CD1 4.37Å; L371-Y376 HydrophobicContact CG-CD1 4.42Å; L371-Y376 HydrophobicContact CG-CE1 4.37Å; L371-Y376 PolarHBondContact O-N 2.86Å; L371-L381 HydrophobicContact CD2-CD1 3.68Å; L371-Y427 HydrophobicContact CD1-CD1 3.48Å; L371-Y427 VanDerWaalsContact CD1-CD1 3.48Å; L371-Y427 HydrophobicContact CD1-CE1 3.86Å; L371-L428 HydrophobicContact CD2-CB 4.08Å; L371-L428 HydrophobicContact CD2-CD1 4.33Å; L371-L428 HydrophobicContact CD2-CD2 4.12Å; L371-L428 HydrophobicContact CD2-CG 4.41Å
372E83.6Confident79.1Confident148 Ų14867.7 Ų67.769%0.69235%0.351SS*.Hα-helixtrans-66.3-51.2170.7-177173.3-157.800111.2E368 V374 Q375E368-E372 WeakPolarHBondContact O-CB 3.25Å; E368-E372 PolarHBondContact O-N 3.29Å; E372-V374 VanDerWaalsContact C-N 3.29Å; E372-V374 PolarHBondContact O-N 3.49Å; E372-Q375 PolarHBondContact O-N 3.26Å
373F85.1Confident80.4Confident22 Ų2267.8 Ų67.810%0.09634%0.342CS..Hα-helixtrans-54.6-46.1176.5173.5-115.5000111.8N322 Y324 Y327 P352 F353 S369 I370 Q375 L384N322-F373 VanDerWaalsContact O-CD2 3.29Å; N322-F373 WeakPolarHBondContact O-CD2 3.49Å; N322-F373 WeakPolarHBondContact O-CE2 3.47Å; Y324-F373 VanDerWaalsContact CB-O 3.31Å; Y324-F373 WeakPolarHBondContact CB-O 3.28Å; Y324-F373 HydrophobicContact CD2-CD1 4.33Å; Y324-F373 AromaticContact CD2-CE1 3.79Å; Y324-F373 HydrophobicContact CD2-CE1 3.79Å; Y324-F373 HydrophobicContact CD2-CZ 4.11Å; Y327-F373 HydrophobicContact CD1-CE1 4.49Å; Y327-F373 HydrophobicContact CD1-CZ 4Å; Y327-F373 HydrophobicContact CD2-CZ 4.42Å; Y327-F373 AromaticContact CG-CZ 3.77Å; Y327-F373 HydrophobicContact CG-CZ 3.77Å; P352-F373 HydrophobicContact CG-CD2 3.71Å; P352-F373 HydrophobicContact CG-CE1 4.3Å; P352-F373 HydrophobicContact CG-CE2 3.33Å; P352-F373 HydrophobicContact CG-CG 4.35Å; P352-F373 HydrophobicContact CG-CZ 3.65Å; F353-F373 HydrophobicContact CD1-CB 4.36Å; F353-F373 AromaticContact CD1-CD1 3.41Å; F353-F373 HydrophobicContact CD1-CD1 3.41Å; F353-F373 VanDerWaalsContact CD1-CD1 3.41Å; F353-F373 AromaticContact CD1-CE1 3.9Å; F353-F373 HydrophobicContact CD1-CE1 3.9Å; F353-F373 HydrophobicContact CD1-CG 4.06Å; F353-F373 AromaticContact CE1-CD1 3.53Å; F353-F373 HydrophobicContact CE1-CD1 3.53Å; F353-F373 AromaticContact CE1-CE1 3.72Å; F353-F373 HydrophobicContact CE1-CE1 3.72Å; S369-F373 WeakPolarHBondContact O-CB 3.46Å; S369-F373 PolarHBondContact O-N 2.89Å; S369-F373 VanDerWaalsContact O-N 3.1Å; I370-F373 PolarHBondContact O-N 2.98Å; F373-Q375 PolarHBondContact O-N 3.2Å; F373-L384 HydrophobicContact CE1-CD1 4.38Å
374V83.5Confident81.7Confident1 Ų162.2 Ų62.21%0.00632%0.316CS..THydrogen-bonded Turntrans-82.42.5-178.4-175.90000112.4Y324 I370 E372 Y376 S377 S380 L381 L384Y324-V374 HydrophobicContact CD2-CG2 4.35Å; I370-V374 HydrophobicContact CG2-CG2 4.36Å; I370-V374 VanDerWaalsContact O-CB 3.25Å; I370-V374 WeakPolarHBondContact O-CB 3.39Å; I370-V374 WeakPolarHBondContact O-CG2 3.48Å; I370-V374 PolarHBondContact O-N 3.39Å; E372-V374 VanDerWaalsContact C-N 3.29Å; E372-V374 PolarHBondContact O-N 3.49Å; V374-Y376 PolarHBondContact O-N 3.23Å; V374-S377 WeakPolarHBondContact CG1-O 3.49Å; V374-S377 WeakPolarHBondContact O-CB 3.2Å; V374-S377 PolarHBondContact O-N 3.15Å; V374-S380 VanDerWaalsContact CG1-CB 3.48Å; V374-L381 HydrophobicContact CG1-CB 3.84Å; V374-L381 HydrophobicContact CG1-CG 4.36Å; V374-L381 VanDerWaalsContact CG1-N 3.35Å; V374-L384 HydrophobicContact CG2-CD1 3.61Å
375Q81.7Confident82.8Confident136 Ų13659.8 Ų59.864%0.63630%0.297SS*.THydrogen-bonded Turntrans52.234.7180-54-177.321.500113.8L371 E372 F373 S377L371-Q375 CarbonylContact O-C 3.58Å; L371-Q375 WeakPolarHBondContact O-CA 3.32Å; L371-Q375 PolarHBondContact O-N 2.76Å; E372-Q375 PolarHBondContact O-N 3.26Å; F373-Q375 PolarHBondContact O-N 3.2Å; Q375-S377 PolarHBondContact O-N 3.13Å; Q375-S377 VanDerWaalsContact O-N 3.09Å
376Y81.5Confident83.7Confident108 Ų10858.8 Ų58.842%0.42429%0.29SS..THydrogen-bonded Turntrans56.415.9-174.5-58.2-92.1000115.2L371 V374 S378 L428L371-Y376 HydrophobicContact CB-CD1 3.78Å; L371-Y376 HydrophobicContact CB-CE1 3.56Å; L371-Y376 HydrophobicContact CB-CG 4.44Å; L371-Y376 HydrophobicContact CD1-CD1 4.41Å; L371-Y376 HydrophobicContact CD1-CE1 4.16Å; L371-Y376 HydrophobicContact CD2-CD1 4.37Å; L371-Y376 HydrophobicContact CG-CD1 4.42Å; L371-Y376 HydrophobicContact CG-CE1 4.37Å; L371-Y376 PolarHBondContact O-N 2.86Å; V374-Y376 PolarHBondContact O-N 3.23Å; Y376-S378 PolarHBondContact O-N 3.4Å; Y376-L428 HydrophobicContact CD1-CD1 4.28Å
377S84.3Confident84.4Confident39 Ų3957.1 Ų57.127%0.27328%0.283SS..  trans-76.8112.2177.8169.10000111.3V374 Q375 Q379 S380 L381V374-S377 WeakPolarHBondContact CG1-O 3.49Å; V374-S377 WeakPolarHBondContact O-CB 3.2Å; V374-S377 PolarHBondContact O-N 3.15Å; Q375-S377 PolarHBondContact O-N 3.13Å; Q375-S377 VanDerWaalsContact O-N 3.09Å; S377-Q379 VanDerWaalsContact C-N 3.29Å; S377-Q379 PolarHBondContact O-N 3.12Å; S377-S380 WeakPolarHBondContact CB-OG 3.49Å; S377-S380 PolarHBondContact O-N 2.98Å; S377-S380 WeakPolarHBondContact OG-CB 3.48Å; S377-S380 PolarHBondContact OG-N 2.79Å; S377-S380 VanDerWaalsContact OG-N 3.14Å; S377-S380 PolarHBondContact OG-OG 3.43Å; S377-L381 WeakPolarHBondContact O-CB 3.28Å; S377-L381 PolarHBondContact O-N 3.21Å
378S82.6Confident84.9Confident86 Ų8656.3 Ų56.360%0.60128%0.279SS*.Hα-helixtrans-60.6-36.2176.455.50000112.8Y376 L381 R382Y376-S378 PolarHBondContact O-N 3.4Å; S378-L381 PolarHBondContact O-N 3.23Å; S378-R382 VanDerWaalsContact O-CB 3.32Å; S378-R382 WeakPolarHBondContact O-CB 3.28Å; S378-R382 PolarHBondContact O-N 3.05Å
379Q83.8Confident85.4Confident161 Ų16156 Ų5675%0.75228%0.277SS*.Hα-helixtrans-66.6-42.2176.1-175.4175.83.900111.7S377 L381 R382 Q383S377-Q379 VanDerWaalsContact C-N 3.29Å; S377-Q379 PolarHBondContact O-N 3.12Å; Q379-L381 VanDerWaalsContact C-N 3.33Å; Q379-R382 PolarHBondContact O-N 3.16Å; Q379-Q383 PolarHBondContact O-N 3.12Å
380S85.1Confident85.7Confident26 Ų2654.7 Ų54.718%0.18227%0.267CS..Hα-helixtrans-67.4-36177.9-61.30000111.8Y324 V374 S377 Q383 L384Y324-S380 VanDerWaalsContact CE1-CB 3.44Å; Y324-S380 WeakPolarHBondContact CE1-OG 3.36Å; Y324-S380 VanDerWaalsContact CZ-CB 3.46Å; Y324-S380 VanDerWaalsContact OH-CA 3.3Å; Y324-S380 WeakPolarHBondContact OH-CA 3.47Å; Y324-S380 PolarHBondContact OH-O 2.83Å; V374-S380 VanDerWaalsContact CG1-CB 3.48Å; S377-S380 WeakPolarHBondContact CB-OG 3.49Å; S377-S380 PolarHBondContact O-N 2.98Å; S377-S380 WeakPolarHBondContact OG-CB 3.48Å; S377-S380 PolarHBondContact OG-N 2.79Å; S377-S380 VanDerWaalsContact OG-N 3.14Å; S377-S380 PolarHBondContact OG-OG 3.43Å; S380-Q383 PolarHBondContact O-N 2.88Å; S380-L384 PolarHBondContact O-N 3.34Å
381L86.3Confident86Confident2 Ų259.9 Ų59.91%0.0130%0.295CS..Hα-helixtrans-68.6-43.1174.4-149.7166.8000110.7L371 V374 S377 S378 Q379 Q383 L384 Q385 L421 A424 T425 L428L371-L381 HydrophobicContact CD2-CD1 3.68Å; V374-L381 HydrophobicContact CG1-CB 3.84Å; V374-L381 HydrophobicContact CG1-CG 4.36Å; V374-L381 VanDerWaalsContact CG1-N 3.35Å; S377-L381 WeakPolarHBondContact O-CB 3.28Å; S377-L381 PolarHBondContact O-N 3.21Å; S378-L381 PolarHBondContact O-N 3.23Å; Q379-L381 VanDerWaalsContact C-N 3.33Å; L381-Q383 VanDerWaalsContact C-N 3.32Å; L381-Q383 PolarHBondContact O-N 3.31Å; L381-L384 WeakPolarHBondContact O-CB 3.45Å; L381-L384 PolarHBondContact O-N 3.49Å; L381-L384 VanDerWaalsContact O-N 3.12Å; L381-Q385 HydrophobicContact CD2-CG 4.19Å; L381-Q385 PolarHBondContact O-N 3.33Å; L381-L421 HydrophobicContact CD2-CB 4.38Å; L381-L421 HydrophobicContact CD2-CD2 4.11Å; L381-L421 WeakPolarHBondContact CD2-O 3.31Å; L381-A424 HydrophobicContact CD1-CB 4.19Å; L381-T425 WeakPolarHBondContact CD2-OG1 3.48Å; L381-L428 HydrophobicContact CD1-CD2 4.2Å
382R85.8Confident86.2Confident152 Ų15264.6 Ų64.657%0.57432%0.315SS*.Hα-helixtrans-61.6-36.7174.7-173.957166-166.1-3.2112.8S378 Q379 Q385 V386S378-R382 VanDerWaalsContact O-CB 3.32Å; S378-R382 WeakPolarHBondContact O-CB 3.28Å; S378-R382 PolarHBondContact O-N 3.05Å; Q379-R382 PolarHBondContact O-N 3.16Å; R382-Q385 WeakPolarHBondContact O-CB 3.48Å; R382-Q385 PolarHBondContact O-N 3.4Å; R382-V386 WeakPolarHBondContact O-CG2 3.32Å; R382-V386 PolarHBondContact O-N 2.96Å
383Q87.9Confident86.5Confident83 Ų8357.6 Ų57.639%0.38828%0.283SS..Hα-helixtrans-61.2-44.6173-178.662.444.100111.2L328 Q379 S380 L381 V386 D387L328-Q383 HydrophobicContact CD2-CG 4.37Å; Q379-Q383 PolarHBondContact O-N 3.12Å; S380-Q383 PolarHBondContact O-N 2.88Å; L381-Q383 VanDerWaalsContact C-N 3.32Å; L381-Q383 PolarHBondContact O-N 3.31Å; Q383-V386 PolarHBondContact O-N 2.92Å; Q383-D387 PolarHBondContact NE2-OD2 3.02Å; Q383-D387 PolarHBondContact O-N 3.37Å
384L89.3Confident86.6Confident0 Ų058.7 Ų58.70%029%0.293CS..Hα-helixtrans-63.9-40.6174.8-68.1173000112.1Y324 Y327 F353 F373 V374 S380 L381 V386 D387 W388 L421Y324-L384 HydrophobicContact CD2-CD1 4.4Å; Y324-L384 HydrophobicContact CE2-CD1 3.92Å; Y324-L384 HydrophobicContact CE2-CD2 4.18Å; Y324-L384 HydrophobicContact CE2-CG 3.9Å; Y327-L384 HydrophobicContact CE1-CD2 3.95Å; F353-L384 HydrophobicContact CE1-CD1 4.08Å; F353-L384 HydrophobicContact CZ-CD1 4.3Å; F373-L384 HydrophobicContact CE1-CD1 4.38Å; V374-L384 HydrophobicContact CG2-CD1 3.61Å; S380-L384 PolarHBondContact O-N 3.34Å; L381-L384 WeakPolarHBondContact O-CB 3.45Å; L381-L384 PolarHBondContact O-N 3.49Å; L381-L384 VanDerWaalsContact O-N 3.12Å; L384-V386 PolarHBondContact O-N 2.93Å; L384-D387 PolarHBondContact O-N 3.48Å; L384-W388 WeakPolarHBondContact O-CB 3.37Å; L384-W388 PolarHBondContact O-N 2.96Å; L384-L421 HydrophobicContact CB-CD1 3.79Å; L384-L421 HydrophobicContact CB-CD2 3.81Å; L384-L421 HydrophobicContact CB-CG 4.48Å; L384-L421 HydrophobicContact CD1-CD2 4.07Å
385Q89.2Confident86.7Confident23 Ų2362 Ų6211%0.10733%0.327CS..Hα-helixtrans-57.5-38.3173.7-72.5-175.3-5400112.1L381 R382 H389 L421 N422 T425L381-Q385 HydrophobicContact CD2-CG 4.19Å; L381-Q385 PolarHBondContact O-N 3.33Å; R382-Q385 WeakPolarHBondContact O-CB 3.48Å; R382-Q385 PolarHBondContact O-N 3.4Å; Q385-H389 WeakPolarHBondContact O-CB 3.48Å; Q385-H389 PolarHBondContact O-N 2.84Å; Q385-H389 VanDerWaalsContact O-N 3.12Å; Q385-L421 HydrophobicContact CG-CB 4.08Å; Q385-N422 PolarHBondContact NE2-OD1 3.34Å; Q385-T425 PolarHBondContact NE2-OG1 3.37Å; Q385-T425 VanDerWaalsContact NE2-OG1 3.16Å
386V88.2Confident86.7Confident46 Ų4660.4 Ų60.428%0.27932%0.315SS..Hα-helixtrans-73.5-42.9179.8169.40000111.9R382 Q383 L384 K392R382-V386 WeakPolarHBondContact O-CG2 3.32Å; R382-V386 PolarHBondContact O-N 2.96Å; Q383-V386 PolarHBondContact O-N 2.92Å; L384-V386 PolarHBondContact O-N 2.93Å; V386-K392 HydrophobicContact CG1-CD 4.2Å
387D87.6Confident86.8Confident3 Ų355.4 Ų55.42%0.01630%0.296CS..Hα-helixtrans-74.8-29.2-178.6-75.2-34.3000113.5W331 Q383 L384 R396W331-D387 HydrophobicContact CZ2-CB 4.15Å; W331-D387 VanDerWaalsContact NE1-CG 3.34Å; W331-D387 PolarHBondContact NE1-OD2 3.4Å; W331-D387 VanDerWaalsContact NE1-OD2 3.14Å; Q383-D387 PolarHBondContact NE2-OD2 3.02Å; Q383-D387 PolarHBondContact O-N 3.37Å; L384-D387 PolarHBondContact O-N 3.48Å; D387-R396 IonicContact OD1-CZ 2.74Å; D387-R396 IonicContact OD1-NH1 2.7Å; D387-R396 PolarHBondContact OD1-NH1 3.37Å; D387-R396 IonicContact OD1-NH2 3Å; D387-R396 PolarHBondContact OD1-NH2 3.38Å
388W89.8Confident86.4Confident0 Ų054.6 Ų54.60%029%0.293CS..THydrogen-bonded Turntrans-102.513.6176.9-64.799.4000113.7Y327 W331 I348 L349 W350 P351 L384 F393 V414 I417 L421Y327-W388 WeakPolarHBondContact OH-CZ2 3.48Å; Y327-W388 PolarHBondContact OH-NE1 2.97Å; W331-W388 HydrophobicContact CH2-CZ2 4.36Å; W331-W388 HydrophobicContact CZ3-CZ2 4.37Å; I348-W388 HydrophobicContact CG2-CH2 3.88Å; I348-W388 HydrophobicContact CG2-CZ3 4.4Å; L349-W388 WeakPolarHBondContact O-CZ2 3.35Å; W350-W388 AromaticContact CE3-CH2 3.69Å; W350-W388 HydrophobicContact CE3-CH2 3.69Å; W350-W388 AromaticContact CE3-CZ3 3.69Å; W350-W388 HydrophobicContact CE3-CZ3 3.69Å; W350-W388 HydrophobicContact CZ3-CE3 4.47Å; W350-W388 HydrophobicContact CZ3-CH2 4Å; W350-W388 AromaticContact CZ3-CZ3 3.52Å; W350-W388 HydrophobicContact CZ3-CZ3 3.52Å; P351-W388 HydrophobicContact CG-CZ2 3.81Å; L384-W388 WeakPolarHBondContact O-CB 3.37Å; L384-W388 PolarHBondContact O-N 2.96Å; W388-F393 HydrophobicContact CE3-CD2 4.07Å; W388-F393 AromaticContact CE3-CE2 3.97Å; W388-F393 HydrophobicContact CE3-CE2 3.97Å; W388-F393 HydrophobicContact CH2-CE2 4.11Å; W388-F393 HydrophobicContact CZ3-CD2 4.11Å; W388-F393 AromaticContact CZ3-CE2 3.52Å; W388-F393 HydrophobicContact CZ3-CE2 3.52Å; W388-F393 HydrophobicContact CZ3-CZ 4.17Å; W388-V414 HydrophobicContact CE3-CG1 4.39Å; W388-V414 HydrophobicContact CE3-CG2 4.02Å; W388-V414 HydrophobicContact CZ3-CG2 4.03Å; W388-V414 WeakPolarHBondContact O-CG1 3.47Å; W388-I417 HydrophobicContact CB-CG2 3.77Å; W388-I417 HydrophobicContact CD2-CD1 4.35Å; W388-I417 HydrophobicContact CD2-CG2 4.01Å; W388-I417 HydrophobicContact CE3-CD1 3.93Å; W388-I417 HydrophobicContact CE3-CG2 4.4Å; W388-I417 HydrophobicContact CG-CG2 3.7Å; W388-I417 HydrophobicContact CZ3-CD1 4.05Å; W388-L421 HydrophobicContact CB-CD1 4.09Å; W388-L421 HydrophobicContact CG-CD1 4.49Å
389H90.4Very high86.2Confident82 Ų8257 Ų5738%0.3831%0.305SS..  trans-65.5125.9170.8-166.9-108.5000109.4Q385 D391 K392 F393Q385-H389 WeakPolarHBondContact O-CB 3.48Å; Q385-H389 PolarHBondContact O-N 2.84Å; Q385-H389 VanDerWaalsContact O-N 3.12Å; H389-D391 VanDerWaalsContact C-N 3.32Å; H389-D391 PolarHBondContact O-N 3.31Å; H389-K392 HydrophobicContact CB-CB 4.17Å; H389-K392 HydrophobicContact CB-CD 4.36Å; H389-K392 HydrophobicContact CB-CG 4.18Å; H389-K392 PolarHBondContact O-N 2.92Å; H389-K392 VanDerWaalsContact O-N 3.1Å; H389-F393 WeakPolarHBondContact O-CB 3.34Å; H389-F393 PolarHBondContact O-N 2.91Å
390P89.6Confident86Confident29 Ų2950.3 Ų50.319%0.18827%0.272CS..Hα-helixtrans-54.4-45-171.7-28.835.4000113.6S394 M411 V414 V415P390-S394 VanDerWaalsContact O-CB 3.3Å; P390-S394 WeakPolarHBondContact O-CB 3.49Å; P390-S394 PolarHBondContact O-N 2.94Å; P390-M411 HydrophobicContact CB-CE 4.02Å; P390-M411 WeakPolarHBondContact O-CE 3.38Å; P390-V414 HydrophobicContact CB-CG1 4.42Å; P390-V414 HydrophobicContact CG-CG1 4.34Å; P390-V415 HydrophobicContact CB-CG2 4.09Å; P390-V415 HydrophobicContact CG-CG2 3.76Å
391D87.6Confident85.9Confident110 Ų11050.1 Ų50.159%0.58827%0.268SS*.Hα-helixtrans-61.6-50.5176.4163.173.1000112.4H389 F393 S394 G395H389-D391 VanDerWaalsContact C-N 3.32Å; H389-D391 PolarHBondContact O-N 3.31Å; D391-F393 VanDerWaalsContact C-N 3.31Å; D391-F393 PolarHBondContact O-N 3.41Å; D391-S394 CarbonylContact O-C 3.54Å; D391-S394 WeakPolarHBondContact O-CA 3.48Å; D391-S394 WeakPolarHBondContact O-CB 3.41Å; D391-S394 PolarHBondContact O-N 3.49Å; D391-S394 VanDerWaalsContact O-N 3.09Å; D391-G395 PolarHBondContact O-N 3.14Å
392K88.1Confident85.5Confident99 Ų9955.3 Ų55.343%0.4329%0.291SS..Hα-helixtrans-66.4-33.7-179.2-62.2-172175.4-173.30112.5V386 H389 R396V386-K392 HydrophobicContact CG1-CD 4.2Å; H389-K392 HydrophobicContact CB-CB 4.17Å; H389-K392 HydrophobicContact CB-CD 4.36Å; H389-K392 HydrophobicContact CB-CG 4.18Å; H389-K392 PolarHBondContact O-N 2.92Å; H389-K392 VanDerWaalsContact O-N 3.1Å; K392-R396 WeakPolarHBondContact O-CB 3.34Å; K392-R396 WeakPolarHBondContact O-CG 3.44Å; K392-R396 PolarHBondContact O-N 3.27Å; K392-R396 VanDerWaalsContact O-N 3.11Å
393F88.8Confident85.4Confident1 Ų150.6 Ų50.60%0.00428%0.281CS..Hα-helixtrans-67.8-42.1172.9-169.2-83.2000111W331 I348 W388 H389 D391 R396 F397 F401 V410 M411 V414W331-F393 HydrophobicContact CH2-CE2 4.13Å; I348-F393 HydrophobicContact CD1-CZ 4.32Å; I348-F393 HydrophobicContact CG2-CZ 4.34Å; W388-F393 HydrophobicContact CE3-CD2 4.07Å; W388-F393 AromaticContact CE3-CE2 3.97Å; W388-F393 HydrophobicContact CE3-CE2 3.97Å; W388-F393 HydrophobicContact CH2-CE2 4.11Å; W388-F393 HydrophobicContact CZ3-CD2 4.11Å; W388-F393 AromaticContact CZ3-CE2 3.52Å; W388-F393 HydrophobicContact CZ3-CE2 3.52Å; W388-F393 HydrophobicContact CZ3-CZ 4.17Å; H389-F393 WeakPolarHBondContact O-CB 3.34Å; H389-F393 PolarHBondContact O-N 2.91Å; D391-F393 VanDerWaalsContact C-N 3.31Å; D391-F393 PolarHBondContact O-N 3.41Å; F393-R396 PolarHBondContact O-N 3.49Å; F393-F397 HydrophobicContact CD1-CD2 4.16Å; F393-F397 AromaticContact CD2-CD2 3.92Å; F393-F397 HydrophobicContact CD2-CD2 3.92Å; F393-F397 HydrophobicContact CD2-CE2 4.1Å; F393-F397 HydrophobicContact CE1-CB 4.34Å; F393-F397 HydrophobicContact CE1-CD2 4.06Å; F393-F397 AromaticContact CE2-CD2 3.81Å; F393-F397 HydrophobicContact CE2-CD2 3.81Å; F393-F397 AromaticContact CE2-CE2 3.93Å; F393-F397 HydrophobicContact CE2-CE2 3.93Å; F393-F397 HydrophobicContact CG-CD2 4.09Å; F393-F397 AromaticContact CZ-CD2 3.88Å; F393-F397 HydrophobicContact CZ-CD2 3.88Å; F393-F397 HydrophobicContact CZ-CE2 4.36Å; F393-F397 PolarHBondContact O-N 2.71Å; F393-F401 AromaticContact CE1-CZ 3.99Å; F393-F401 HydrophobicContact CE1-CZ 3.99Å; F393-V410 HydrophobicContact CE1-CG1 3.55Å; F393-V410 HydrophobicContact CZ-CG1 4.03Å; F393-M411 HydrophobicContact CD1-SD 4.22Å; F393-V414 HydrophobicContact CB-CG1 4.02Å; F393-V414 HydrophobicContact CD1-CG1 4.41Å; F393-V414 HydrophobicContact CD1-CG2 3.7Å; F393-V414 HydrophobicContact CD2-CG1 4.5Å; F393-V414 HydrophobicContact CD2-CG2 4.13Å; F393-V414 HydrophobicContact CE1-CG2 3.68Å; F393-V414 HydrophobicContact CE2-CG2 4.12Å; F393-V414 HydrophobicContact CG-CG1 4.07Å; F393-V414 HydrophobicContact CG-CG2 3.93Å; F393-V414 HydrophobicContact CZ-CG2 3.91Å
394S86.6Confident85.2Confident46 Ų4651.6 Ų51.632%0.32229%0.286SS..Hα-helixtrans-65.1-39.7174.1-169.30000112.3P390 D391 R396 G398P390-S394 VanDerWaalsContact O-CB 3.3Å; P390-S394 WeakPolarHBondContact O-CB 3.49Å; P390-S394 PolarHBondContact O-N 2.94Å; D391-S394 CarbonylContact O-C 3.54Å; D391-S394 WeakPolarHBondContact O-CA 3.48Å; D391-S394 WeakPolarHBondContact O-CB 3.41Å; D391-S394 PolarHBondContact O-N 3.49Å; D391-S394 VanDerWaalsContact O-N 3.09Å; S394-R396 VanDerWaalsContact C-N 3.32Å; S394-R396 PolarHBondContact O-N 3.38Å; S394-G398 WeakPolarHBondContact O-CA 3.31Å; S394-G398 PolarHBondContact O-N 2.71Å
395G85.6Confident85Confident69 Ų6954.7 Ų54.771%0.71131%0.308SS*.Hα-helixtrans-65-32174.500000113.7D391D391-G395 PolarHBondContact O-N 3.14Å
396R82.8Confident84.9Confident103 Ų10354.5 Ų54.539%0.38931%0.308SS..Hα-helixtrans-84-34.3177.8-73.9175.2176.1175-0.1114.6D387 K392 F393 S394D387-R396 IonicContact OD1-CZ 2.74Å; D387-R396 IonicContact OD1-NH1 2.7Å; D387-R396 PolarHBondContact OD1-NH1 3.37Å; D387-R396 IonicContact OD1-NH2 3Å; D387-R396 PolarHBondContact OD1-NH2 3.38Å; K392-R396 WeakPolarHBondContact O-CB 3.34Å; K392-R396 WeakPolarHBondContact O-CG 3.44Å; K392-R396 PolarHBondContact O-N 3.27Å; K392-R396 VanDerWaalsContact O-N 3.11Å; F393-R396 PolarHBondContact O-N 3.49Å; S394-R396 VanDerWaalsContact C-N 3.32Å; S394-R396 PolarHBondContact O-N 3.38Å
397F83.7Confident84.8Confident3 Ų354.8 Ų54.81%0.01331%0.306CS..Hα-helixtrans-126.9-8-169-60-71.5000114.9W331 F334 L335 L343 F393 T399 R400 F401W331-F397 AromaticContact CH2-CE2 3.84Å; W331-F397 HydrophobicContact CH2-CE2 3.84Å; W331-F397 HydrophobicContact CH2-CZ 4.03Å; W331-F397 HydrophobicContact CZ2-CE2 4.44Å; F334-F397 HydrophobicContact CD1-CE1 4.38Å; F334-F397 HydrophobicContact CD1-CZ 4.16Å; F334-F397 AromaticContact CE1-CE1 3.65Å; F334-F397 HydrophobicContact CE1-CE1 3.65Å; F334-F397 AromaticContact CE1-CZ 3.66Å; F334-F397 HydrophobicContact CE1-CZ 3.66Å; F334-F397 HydrophobicContact CZ-CE1 4.29Å; L335-F397 HydrophobicContact CD2-CE2 4.3Å; L335-F397 HydrophobicContact CD2-CZ 3.81Å; L343-F397 HydrophobicContact CD1-CD1 3.59Å; L343-F397 HydrophobicContact CD1-CE1 4.18Å; L343-F397 HydrophobicContact CD1-CG 4.36Å; F393-F397 HydrophobicContact CD1-CD2 4.16Å; F393-F397 AromaticContact CD2-CD2 3.92Å; F393-F397 HydrophobicContact CD2-CD2 3.92Å; F393-F397 HydrophobicContact CD2-CE2 4.1Å; F393-F397 HydrophobicContact CE1-CB 4.34Å; F393-F397 HydrophobicContact CE1-CD2 4.06Å; F393-F397 AromaticContact CE2-CD2 3.81Å; F393-F397 HydrophobicContact CE2-CD2 3.81Å; F393-F397 AromaticContact CE2-CE2 3.93Å; F393-F397 HydrophobicContact CE2-CE2 3.93Å; F393-F397 HydrophobicContact CG-CD2 4.09Å; F393-F397 AromaticContact CZ-CD2 3.88Å; F393-F397 HydrophobicContact CZ-CD2 3.88Å; F393-F397 HydrophobicContact CZ-CE2 4.36Å; F393-F397 PolarHBondContact O-N 2.71Å; F397-T399 PolarHBondContact O-N 3.47Å; F397-T399 VanDerWaalsContact O-N 3.14Å; F397-R400 WeakPolarHBondContact O-CB 3.41Å; F397-R400 PolarHBondContact O-N 2.95Å; F397-F401 HydrophobicContact CB-CE2 4.14Å; F397-F401 HydrophobicContact CB-CZ 3.8Å; F397-F401 WeakPolarHBondContact O-CD2 3.31Å; F397-F401 WeakPolarHBondContact O-CE2 3.25Å
398G75.1Confident84.8Confident22 Ų2259.7 Ų59.723%0.22733%0.331CS..THydrogen-bonded Turntrans-57.4-32-17200000115S394S394-G398 WeakPolarHBondContact O-CA 3.31Å; S394-G398 PolarHBondContact O-N 2.71Å
399T78.7Confident84.6Confident136 Ų13666.4 Ų66.483%0.83436%0.36SS*.THydrogen-bonded Turntrans-83.5-12.5175.851.60000114.1F397F397-T399 PolarHBondContact O-N 3.47Å; F397-T399 VanDerWaalsContact O-N 3.14Å
400R80.3Confident84.5Confident21 Ų2162.5 Ų62.58%0.07934%0.342CS..SBendtrans-93.4-2.2-172.9-66.5179.165.8166.84.4114.1S337 D338 Q339 T341 L342 L343 F397S337-R400 PolarHBondContact O-NH1 3.12Å; D338-R400 PolarHBondContact O-NH2 3.45Å; Q339-R400 PolarHBondContact O-NE 3.4Å; T341-R400 PolarHBondContact O-NE 3.28Å; T341-R400 PolarHBondContact OG1-NH2 3.27Å; L342-R400 CarbonylContact C-O 3.45Å; L342-R400 VanDerWaalsContact CA-O 3.28Å; L342-R400 WeakPolarHBondContact CA-O 3.31Å; L343-R400 HydrophobicContact CD1-CB 4.07Å; L343-R400 HydrophobicContact CG-CB 4.23Å; L343-R400 PolarHBondContact N-O 3.29Å; F397-R400 WeakPolarHBondContact O-CB 3.41Å; F397-R400 PolarHBondContact O-N 2.95Å
401F81.7Confident84.4Confident22 Ų2263 Ų6310%0.09634%0.342CS..BIsolated β-bridgetrans-80.9135.6-173.8-65.2-62.9000114.1L343 I348 F393 F397 S403 V406 K407 V410L343-F401 HydrophobicContact CB-CD1 4.24Å; L343-F401 HydrophobicContact CB-CE1 4.35Å; I348-F401 HydrophobicContact CD1-CE1 4.22Å; F393-F401 AromaticContact CE1-CZ 3.99Å; F393-F401 HydrophobicContact CE1-CZ 3.99Å; F397-F401 HydrophobicContact CB-CE2 4.14Å; F397-F401 HydrophobicContact CB-CZ 3.8Å; F397-F401 WeakPolarHBondContact O-CD2 3.31Å; F397-F401 WeakPolarHBondContact O-CE2 3.25Å; F401-S403 PolarHBondContact O-N 3.47Å; F401-S403 VanDerWaalsContact O-N 3.15Å; F401-V406 HydrophobicContact CD1-CG1 4.39Å; F401-K407 HydrophobicContact CB-CB 4.06Å; F401-K407 HydrophobicContact CD2-CB 3.75Å; F401-K407 HydrophobicContact CD2-CD 3.9Å; F401-K407 HydrophobicContact CD2-CG 3.74Å; F401-K407 HydrophobicContact CE2-CB 4.48Å; F401-K407 HydrophobicContact CE2-CG 4.19Å; F401-K407 HydrophobicContact CG-CB 3.96Å; F401-K407 HydrophobicContact CG-CG 4.45Å; F401-V410 HydrophobicContact CE1-CB 4.3Å; F401-V410 HydrophobicContact CE1-CG1 3.93Å; F401-V410 HydrophobicContact CE1-CG2 4.15Å; F401-V410 HydrophobicContact CZ-CB 4.47Å; F401-V410 HydrophobicContact CZ-CG1 3.83Å
402K79.1Confident84.4Confident111 Ų11165 Ų6548%0.48335%0.346SS..SBendtrans-59.4-23177.3-71.1178.2171.890.70114.6L342 L343 N344 D347L342-K402 HydrophobicContact CB-CG 3.64Å; L342-K402 WeakPolarHBondContact O-CE 3.49Å; L342-K402 PolarHBondContact O-NZ 3.26Å; L343-K402 PolarHBondContact O-N 3.18Å; N344-K402 HydrophobicContact CB-CD 4.09Å; D347-K402 IonicContact OD2-NZ 3.26Å; D347-K402 PolarHBondContact OD2-NZ 2.89Å
403S82.9Confident84.4Confident53 Ų5362.4 Ų62.437%0.37133%0.333SS..  trans-164147.3-179.1176.90000110.5F401 S405 V406 K407F401-S403 PolarHBondContact O-N 3.47Å; F401-S403 VanDerWaalsContact O-N 3.15Å; S403-S405 PolarHBondContact O-N 3.12Å; S403-S405 PolarHBondContact OG-N 3.07Å; S403-S405 PolarHBondContact OG-OG 3.28Å; S403-V406 WeakPolarHBondContact O-CA 3.42Å; S403-V406 WeakPolarHBondContact O-CB 3.28Å; S403-V406 PolarHBondContact O-N 3.29Å; S403-K407 PolarHBondContact O-N 3.49Å
404E84.1Confident84.4Confident104 Ų10462.3 Ų62.349%0.48633%0.333SS..Hα-helixtrans-57.1-32.7172-165.959.7-140.700111.9V406 K407 I408E404-V406 VanDerWaalsContact C-N 3.26Å; E404-V406 PolarHBondContact O-N 2.89Å; E404-K407 PolarHBondContact O-N 3.14Å; E404-K407 WeakPolarHBondContact OE1-CE 3.46Å; E404-K407 IonicContact OE1-NZ 2.74Å; E404-K407 PolarHBondContact OE1-NZ 2.67Å; E404-K407 WeakPolarHBondContact OE2-CD 3.38Å; E404-K407 IonicContact OE2-NZ 2.64Å; E404-K407 PolarHBondContact OE2-NZ 3.34Å; E404-I408 HydrophobicContact CG-CD1 4.17Å; E404-I408 VanDerWaalsContact O-CG1 3.3Å; E404-I408 WeakPolarHBondContact O-CG1 3.28Å; E404-I408 PolarHBondContact O-N 2.7Å
405S84.8Confident84.5Confident66 Ų6662.7 Ų62.746%0.46233%0.333SS..Hα-helixtrans-63.9-28.7174.769.10000113.8S403 K409S403-S405 PolarHBondContact O-N 3.12Å; S403-S405 PolarHBondContact OG-N 3.07Å; S403-S405 PolarHBondContact OG-OG 3.28Å; S405-K409 WeakPolarHBondContact O-CG 3.4Å
406V86.8Confident84.6Confident18 Ų1862.4 Ų62.411%0.10932%0.315CS..Hα-helixtrans-79.2-47.1172.8174.70000109.4F401 S403 E404 I408 K409 V410F401-V406 HydrophobicContact CD1-CG1 4.39Å; S403-V406 WeakPolarHBondContact O-CA 3.42Å; S403-V406 WeakPolarHBondContact O-CB 3.28Å; S403-V406 PolarHBondContact O-N 3.29Å; E404-V406 VanDerWaalsContact C-N 3.26Å; E404-V406 PolarHBondContact O-N 2.89Å; V406-I408 VanDerWaalsContact C-N 3.32Å; V406-I408 PolarHBondContact O-N 3.16Å; V406-K409 PolarHBondContact O-N 3.08Å; V406-V410 HydrophobicContact CG1-CG2 4.01Å; V406-V410 WeakPolarHBondContact O-CB 3.37Å; V406-V410 WeakPolarHBondContact O-CG2 3.48Å; V406-V410 PolarHBondContact O-N 3.41Å
407K87.1Confident84.8Confident53 Ų5357.5 Ų57.523%0.2330%0.297CS..Hα-helixtrans-52.8-46.4176.5178.4168.7155.8-117.50111.7F401 S403 E404 K409 V410 M411F401-K407 HydrophobicContact CB-CB 4.06Å; F401-K407 HydrophobicContact CD2-CB 3.75Å; F401-K407 HydrophobicContact CD2-CD 3.9Å; F401-K407 HydrophobicContact CD2-CG 3.74Å; F401-K407 HydrophobicContact CE2-CB 4.48Å; F401-K407 HydrophobicContact CE2-CG 4.19Å; F401-K407 HydrophobicContact CG-CB 3.96Å; F401-K407 HydrophobicContact CG-CG 4.45Å; S403-K407 PolarHBondContact O-N 3.49Å; E404-K407 PolarHBondContact O-N 3.14Å; E404-K407 WeakPolarHBondContact OE1-CE 3.46Å; E404-K407 IonicContact OE1-NZ 2.74Å; E404-K407 PolarHBondContact OE1-NZ 2.67Å; E404-K407 WeakPolarHBondContact OE2-CD 3.38Å; E404-K407 IonicContact OE2-NZ 2.64Å; E404-K407 PolarHBondContact OE2-NZ 3.34Å; K407-K409 PolarHBondContact O-N 3.32Å; K407-V410 PolarHBondContact O-N 3.5Å; K407-M411 HydrophobicContact CG-CG 4.33Å; K407-M411 VanDerWaalsContact O-CB 3.3Å; K407-M411 WeakPolarHBondContact O-CB 3.33Å; K407-M411 WeakPolarHBondContact O-CG 3.42Å; K407-M411 PolarHBondContact O-N 3.38Å
408I86.8Confident85.1Confident106 Ų10658 Ų5854%0.54430%0.3SS..Hα-helixtrans-60-45175.7-68.3164000112E404 V406 K412E404-I408 HydrophobicContact CG-CD1 4.17Å; E404-I408 VanDerWaalsContact O-CG1 3.3Å; E404-I408 WeakPolarHBondContact O-CG1 3.28Å; E404-I408 PolarHBondContact O-N 2.7Å; V406-I408 VanDerWaalsContact C-N 3.32Å; V406-I408 PolarHBondContact O-N 3.16Å; I408-K412 WeakPolarHBondContact O-CB 3.35Å; I408-K412 PolarHBondContact O-N 3.43Å
409K86.9Confident85.8Confident140 Ų14062.1 Ų62.161%0.60931%0.314SS*.Hα-helixtrans-65.2-43.3177.8-72.4173.2-179.4177.20112.2Y345 S405 V406 K407 R413Y345-K409 HydrophobicContact CD2-CB 4.24Å; S405-K409 WeakPolarHBondContact O-CG 3.4Å; V406-K409 PolarHBondContact O-N 3.08Å; K407-K409 PolarHBondContact O-N 3.32Å; K409-R413 PolarHBondContact O-N 2.88Å; K409-R413 VanDerWaalsContact O-N 3.16Å
410V87.8Confident86.2Confident0 Ų057.3 Ų57.30%028%0.283CS..Hα-helixtrans-62.7-52.6176.9168.30000110.3Y345 I348 W350 F393 F401 V406 K407 K412 R413 V414Y345-V410 HydrophobicContact CD2-CG2 3.8Å; Y345-V410 HydrophobicContact CG-CG2 4.49Å; I348-V410 HydrophobicContact CD1-CB 4.17Å; I348-V410 HydrophobicContact CD1-CG1 3.52Å; I348-V410 HydrophobicContact CD1-CG2 3.48Å; I348-V410 VanDerWaalsContact CD1-CG2 3.48Å; W350-V410 HydrophobicContact CH2-CG1 4.11Å; W350-V410 HydrophobicContact CZ2-CG2 4.44Å; F393-V410 HydrophobicContact CE1-CG1 3.55Å; F393-V410 HydrophobicContact CZ-CG1 4.03Å; F401-V410 HydrophobicContact CE1-CB 4.3Å; F401-V410 HydrophobicContact CE1-CG1 3.93Å; F401-V410 HydrophobicContact CE1-CG2 4.15Å; F401-V410 HydrophobicContact CZ-CB 4.47Å; F401-V410 HydrophobicContact CZ-CG1 3.83Å; V406-V410 HydrophobicContact CG1-CG2 4.01Å; V406-V410 WeakPolarHBondContact O-CB 3.37Å; V406-V410 WeakPolarHBondContact O-CG2 3.48Å; V406-V410 PolarHBondContact O-N 3.41Å; K407-V410 PolarHBondContact O-N 3.5Å; V410-K412 VanDerWaalsContact C-N 3.31Å; V410-K412 PolarHBondContact O-N 3.01Å; V410-R413 CarbonylContact O-C 3.59Å; V410-R413 WeakPolarHBondContact O-CA 3.37Å; V410-R413 WeakPolarHBondContact O-CB 3.37Å; V410-R413 PolarHBondContact O-N 2.93Å; V410-V414 HydrophobicContact CG1-CG2 4.21Å; V410-V414 WeakPolarHBondContact O-CG2 3.33Å; V410-V414 PolarHBondContact O-N 2.95Å
411M87.4Confident86.6Confident41 Ų4156.3 Ų56.320%0.20228%0.279CS..Hα-helixtrans-60.7-38.7-180-70.5-60.4-67.800112.1P390 F393 K407 R413 V414 V415P390-M411 HydrophobicContact CB-CE 4.02Å; P390-M411 WeakPolarHBondContact O-CE 3.38Å; F393-M411 HydrophobicContact CD1-SD 4.22Å; K407-M411 HydrophobicContact CG-CG 4.33Å; K407-M411 VanDerWaalsContact O-CB 3.3Å; K407-M411 WeakPolarHBondContact O-CB 3.33Å; K407-M411 WeakPolarHBondContact O-CG 3.42Å; K407-M411 PolarHBondContact O-N 3.38Å; M411-R413 VanDerWaalsContact C-N 3.31Å; M411-R413 PolarHBondContact O-N 2.88Å; M411-V414 PolarHBondContact O-N 3.16Å; M411-V415 WeakPolarHBondContact O-CG2 3.44Å; M411-V415 PolarHBondContact O-N 2.88Å
412K87.7Confident86.9Confident152 Ų15258.4 Ų58.466%0.66129%0.291SS*.Hα-helixtrans-60.6-37.7172-172.5171.7-177.4174.30112.3I408 V410 N416I408-K412 WeakPolarHBondContact O-CB 3.35Å; I408-K412 PolarHBondContact O-N 3.43Å; V410-K412 VanDerWaalsContact C-N 3.31Å; V410-K412 PolarHBondContact O-N 3.01Å; K412-N416 PolarHBondContact O-N 3.11Å; K412-N416 PolarHBondContact O-OD1 3.1Å; K412-N416 VanDerWaalsContact O-OD1 3.07Å
413R87.6Confident87.3Confident43 Ų4357.1 Ų57.116%0.16229%0.286CS..Hα-helixtrans-71.5-41.5174.7-169.355.1163.3174.9-11.7111.8Y345 W350 C354 V356 K409 V410 M411 N416 I417Y345-R413 HydrophobicContact CE2-CB 4.25Å; W350-R413 HydrophobicContact CD2-CG 4.46Å; W350-R413 HydrophobicContact CE3-CG 3.85Å; W350-R413 HydrophobicContact CH2-CB 3.65Å; W350-R413 HydrophobicContact CH2-CG 3.73Å; W350-R413 HydrophobicContact CZ2-CB 4.43Å; W350-R413 HydrophobicContact CZ2-CG 4.35Å; W350-R413 HydrophobicContact CZ3-CB 3.78Å; W350-R413 HydrophobicContact CZ3-CG 3.45Å; W350-R413 VanDerWaalsContact CZ3-CG 3.45Å; C354-R413 PolarHBondContact O-NH2 3.33Å; V356-R413 PolarHBondContact O-NH2 3.27Å; V356-R413 VanDerWaalsContact O-NH2 3.12Å; K409-R413 PolarHBondContact O-N 2.88Å; K409-R413 VanDerWaalsContact O-N 3.16Å; V410-R413 CarbonylContact O-C 3.59Å; V410-R413 WeakPolarHBondContact O-CA 3.37Å; V410-R413 WeakPolarHBondContact O-CB 3.37Å; V410-R413 PolarHBondContact O-N 2.93Å; M411-R413 VanDerWaalsContact C-N 3.31Å; M411-R413 PolarHBondContact O-N 2.88Å; R413-N416 PolarHBondContact O-N 3.27Å; R413-I417 HydrophobicContact CG-CD1 4.13Å; R413-I417 VanDerWaalsContact O-CG1 3.28Å; R413-I417 WeakPolarHBondContact O-CG1 3.44Å; R413-I417 PolarHBondContact O-N 3.21Å
414V89.3Confident87.5Confident0 Ų054.6 Ų54.60%027%0.268CS..Hα-helixtrans-60.2-44.6176.3175.90000111.7W350 W388 P390 F393 V410 M411 N416 I417 S418W350-V414 HydrophobicContact CH2-CG2 4.46Å; W350-V414 HydrophobicContact CZ3-CG2 4.27Å; W388-V414 HydrophobicContact CE3-CG1 4.39Å; W388-V414 HydrophobicContact CE3-CG2 4.02Å; W388-V414 HydrophobicContact CZ3-CG2 4.03Å; W388-V414 WeakPolarHBondContact O-CG1 3.47Å; P390-V414 HydrophobicContact CB-CG1 4.42Å; P390-V414 HydrophobicContact CG-CG1 4.34Å; F393-V414 HydrophobicContact CB-CG1 4.02Å; F393-V414 HydrophobicContact CD1-CG1 4.41Å; F393-V414 HydrophobicContact CD1-CG2 3.7Å; F393-V414 HydrophobicContact CD2-CG1 4.5Å; F393-V414 HydrophobicContact CD2-CG2 4.13Å; F393-V414 HydrophobicContact CE1-CG2 3.68Å; F393-V414 HydrophobicContact CE2-CG2 4.12Å; F393-V414 HydrophobicContact CG-CG1 4.07Å; F393-V414 HydrophobicContact CG-CG2 3.93Å; F393-V414 HydrophobicContact CZ-CG2 3.91Å; V410-V414 HydrophobicContact CG1-CG2 4.21Å; V410-V414 WeakPolarHBondContact O-CG2 3.33Å; V410-V414 PolarHBondContact O-N 2.95Å; M411-V414 PolarHBondContact O-N 3.16Å; V414-N416 PolarHBondContact O-N 3.4Å; V414-I417 PolarHBondContact O-N 2.99Å; V414-S418 PolarHBondContact O-N 3.34Å
415V88.8Confident87.7Confident53 Ų5351.6 Ų51.632%0.32126%0.257SS..Hα-helixtrans-59.2-46.3175169.80000111.2P390 M411 I417 S418 Q419P390-V415 HydrophobicContact CB-CG2 4.09Å; P390-V415 HydrophobicContact CG-CG2 3.76Å; M411-V415 WeakPolarHBondContact O-CG2 3.44Å; M411-V415 PolarHBondContact O-N 2.88Å; V415-I417 VanDerWaalsContact C-N 3.31Å; V415-I417 PolarHBondContact O-N 3.43Å; V415-S418 PolarHBondContact O-N 3.34Å; V415-Q419 WeakPolarHBondContact O-CG 3.34Å; V415-Q419 PolarHBondContact O-N 3.08Å
416N87.3Confident87.8Confident64 Ų6451.4 Ų51.434%0.34225%0.251SS..Hα-helixtrans-62.8-36.2176.7-69.720.7000112.3K412 R413 V414 L420K412-N416 PolarHBondContact O-N 3.11Å; K412-N416 PolarHBondContact O-OD1 3.1Å; K412-N416 VanDerWaalsContact O-OD1 3.07Å; R413-N416 PolarHBondContact O-N 3.27Å; V414-N416 PolarHBondContact O-N 3.4Å; N416-L420 WeakPolarHBondContact O-CB 3.3Å; N416-L420 WeakPolarHBondContact O-CG 3.46Å; N416-L420 PolarHBondContact O-N 2.92Å
417I88Confident87.8Confident0 Ų054.5 Ų54.50%026%0.261CS..Hα-helixtrans-66.4-46.5175.5-68170.1000110.7W350 C354 W388 R413 V414 V415 Q419 L420 L421W350-I417 HydrophobicContact CE3-CD1 3.6Å; W350-I417 HydrophobicContact CZ3-CD1 3.77Å; C354-I417 HydrophobicContact CB-CD1 4.43Å; W388-I417 HydrophobicContact CB-CG2 3.77Å; W388-I417 HydrophobicContact CD2-CD1 4.35Å; W388-I417 HydrophobicContact CD2-CG2 4.01Å; W388-I417 HydrophobicContact CE3-CD1 3.93Å; W388-I417 HydrophobicContact CE3-CG2 4.4Å; W388-I417 HydrophobicContact CG-CG2 3.7Å; W388-I417 HydrophobicContact CZ3-CD1 4.05Å; R413-I417 HydrophobicContact CG-CD1 4.13Å; R413-I417 VanDerWaalsContact O-CG1 3.28Å; R413-I417 WeakPolarHBondContact O-CG1 3.44Å; R413-I417 PolarHBondContact O-N 3.21Å; V414-I417 PolarHBondContact O-N 2.99Å; V415-I417 VanDerWaalsContact C-N 3.31Å; V415-I417 PolarHBondContact O-N 3.43Å; I417-Q419 VanDerWaalsContact C-N 3.34Å; I417-Q419 PolarHBondContact O-N 3.48Å; I417-L420 PolarHBondContact O-N 3.13Å; I417-L421 HydrophobicContact CG2-CD1 3.75Å; I417-L421 HydrophobicContact CG2-CG 4.31Å; I417-L421 WeakPolarHBondContact O-CB 3.41Å; I417-L421 VanDerWaalsContact O-CG 3.32Å; I417-L421 WeakPolarHBondContact O-CG 3.49Å; I417-L421 PolarHBondContact O-N 3.46Å
418S89.4Confident87.6Confident12 Ų1252.6 Ų52.68%0.08425%0.253CS..Hα-helixtrans-57.3-45.4175.5-178.40000111.7V414 V415 L420 L421 N422V414-S418 PolarHBondContact O-N 3.34Å; V415-S418 PolarHBondContact O-N 3.34Å; S418-L420 PolarHBondContact O-N 2.82Å; S418-L421 PolarHBondContact O-N 3.06Å; S418-N422 WeakPolarHBondContact O-CB 3.38Å; S418-N422 PolarHBondContact O-N 2.77Å; S418-N422 PolarHBondContact O-ND2 3.44Å; S418-N422 PolarHBondContact O-OD1 3.25Å
419Q88.9Confident87.4Confident110 Ų11053 Ų5351%0.51425%0.248SC..Hα-helixtrans-61.9-43175.7-72.1174.8-6.900112.8V415 I417 N422 K423V415-Q419 WeakPolarHBondContact O-CG 3.34Å; V415-Q419 PolarHBondContact O-N 3.08Å; I417-Q419 VanDerWaalsContact C-N 3.34Å; I417-Q419 PolarHBondContact O-N 3.48Å; Q419-N422 PolarHBondContact O-N 2.79Å; Q419-K423 PolarHBondContact O-N 3.09Å
420L87.5Confident87.2Confident35 Ų3550.2 Ų50.218%0.18324%0.24CC..Hα-helixtrans-65.3-40.7176.3-76.9169.4000112.4H366 I370 N416 I417 S418 N422 K423 A424H366-L420 HydrophobicContact CB-CD2 4.26Å; I370-L420 HydrophobicContact CD1-CB 3.92Å; N416-L420 WeakPolarHBondContact O-CB 3.3Å; N416-L420 WeakPolarHBondContact O-CG 3.46Å; N416-L420 PolarHBondContact O-N 2.92Å; I417-L420 PolarHBondContact O-N 3.13Å; S418-L420 PolarHBondContact O-N 2.82Å; L420-N422 VanDerWaalsContact C-N 3.35Å; L420-K423 PolarHBondContact O-N 3.35Å; L420-A424 WeakPolarHBondContact O-CB 3.48Å; L420-A424 PolarHBondContact O-N 2.85Å
421L88.9Confident86.9Confident0 Ų053.6 Ų53.60%025%0.254CS..Hα-helixtrans-65.9-37.1175.3-71168000111.8F353 I370 L381 L384 Q385 W388 I417 S418 A424 T425F353-L421 HydrophobicContact CZ-CD2 4.07Å; I370-L421 HydrophobicContact CG2-CD2 4.15Å; L381-L421 HydrophobicContact CD2-CB 4.38Å; L381-L421 HydrophobicContact CD2-CD2 4.11Å; L381-L421 WeakPolarHBondContact CD2-O 3.31Å; L384-L421 HydrophobicContact CB-CD1 3.79Å; L384-L421 HydrophobicContact CB-CD2 3.81Å; L384-L421 HydrophobicContact CB-CG 4.48Å; L384-L421 HydrophobicContact CD1-CD2 4.07Å; Q385-L421 HydrophobicContact CG-CB 4.08Å; W388-L421 HydrophobicContact CB-CD1 4.09Å; W388-L421 HydrophobicContact CG-CD1 4.49Å; I417-L421 HydrophobicContact CG2-CD1 3.75Å; I417-L421 HydrophobicContact CG2-CG 4.31Å; I417-L421 WeakPolarHBondContact O-CB 3.41Å; I417-L421 VanDerWaalsContact O-CG 3.32Å; I417-L421 WeakPolarHBondContact O-CG 3.49Å; I417-L421 PolarHBondContact O-N 3.46Å; S418-L421 PolarHBondContact O-N 3.06Å; L421-A424 PolarHBondContact O-N 2.89Å; L421-T425 WeakPolarHBondContact O-CB 3.13Å; L421-T425 PolarHBondContact O-N 2.79Å; L421-T425 PolarHBondContact O-OG1 3.33Å
422N88.7Confident86.2Confident66 Ų6655.7 Ų55.735%0.35327%0.266SS..Hα-helixtrans-64.7-50.8173.4-67.2-11000110.7Q385 S418 Q419 L420 A424 T425 D426Q385-N422 PolarHBondContact NE2-OD1 3.34Å; S418-N422 WeakPolarHBondContact O-CB 3.38Å; S418-N422 PolarHBondContact O-N 2.77Å; S418-N422 PolarHBondContact O-ND2 3.44Å; S418-N422 PolarHBondContact O-OD1 3.25Å; Q419-N422 PolarHBondContact O-N 2.79Å; L420-N422 VanDerWaalsContact C-N 3.35Å; N422-A424 VanDerWaalsContact C-N 3.26Å; N422-A424 PolarHBondContact O-N 3.33Å; N422-T425 CarbonylContact O-C 3.57Å; N422-T425 WeakPolarHBondContact O-CA 3.21Å; N422-T425 VanDerWaalsContact O-CB 3.28Å; N422-T425 WeakPolarHBondContact O-CB 3.34Å; N422-T425 PolarHBondContact O-N 2.94Å; N422-D426 PolarHBondContact O-N 3.1Å; N422-D426 VanDerWaalsContact O-OD2 3.12Å
423K87.6Confident85.5Confident84 Ų8454.5 Ų54.537%0.36526%0.263SS..Hα-helixtrans-54.5-39.6173.7-73.4-170.7177-166.90112.9E363 I367 Q419 L420 Y427E363-K423 IonicContact OE1-NZ 2.79Å; E363-K423 PolarHBondContact OE1-NZ 3.35Å; E363-K423 IonicContact OE2-NZ 2.71Å; E363-K423 PolarHBondContact OE2-NZ 3.14Å; I367-K423 HydrophobicContact CD1-CB 4.05Å; I367-K423 HydrophobicContact CG1-CB 4.32Å; Q419-K423 PolarHBondContact O-N 3.09Å; L420-K423 PolarHBondContact O-N 3.35Å; K423-Y427 WeakPolarHBondContact O-CB 3.17Å; K423-Y427 PolarHBondContact O-N 2.69Å
424A86.4Confident84.7Confident0 Ų056.6 Ų56.60%029%0.29CS..Hα-helixtrans-71.4-30.9175.600000113.3I367 I370 L381 L420 L421 N422 L428I367-A424 HydrophobicContact CG2-CB 4.28Å; I370-A424 HydrophobicContact CB-CB 4.21Å; I370-A424 HydrophobicContact CD1-CB 4.27Å; I370-A424 HydrophobicContact CG2-CB 3.7Å; L381-A424 HydrophobicContact CD1-CB 4.19Å; L420-A424 WeakPolarHBondContact O-CB 3.48Å; L420-A424 PolarHBondContact O-N 2.85Å; L421-A424 PolarHBondContact O-N 2.89Å; N422-A424 VanDerWaalsContact C-N 3.26Å; N422-A424 PolarHBondContact O-N 3.33Å; A424-L428 VanDerWaalsContact O-CB 3.27Å; A424-L428 WeakPolarHBondContact O-CB 3.49Å; A424-L428 PolarHBondContact O-N 2.88Å
425T88.1Confident82.9Confident40 Ų4066.1 Ų66.125%0.24533%0.331CS..Hα-helixtrans-66.9-48171.5-52.40000110.7L381 Q385 L421 N422 L428 R429L381-T425 WeakPolarHBondContact CD2-OG1 3.48Å; Q385-T425 PolarHBondContact NE2-OG1 3.37Å; Q385-T425 VanDerWaalsContact NE2-OG1 3.16Å; L421-T425 WeakPolarHBondContact O-CB 3.13Å; L421-T425 PolarHBondContact O-N 2.79Å; L421-T425 PolarHBondContact O-OG1 3.33Å; N422-T425 CarbonylContact O-C 3.57Å; N422-T425 WeakPolarHBondContact O-CA 3.21Å; N422-T425 VanDerWaalsContact O-CB 3.28Å; N422-T425 WeakPolarHBondContact O-CB 3.34Å; N422-T425 PolarHBondContact O-N 2.94Å; T425-L428 PolarHBondContact O-N 2.73Å; T425-R429 WeakPolarHBondContact O-CB 3.41Å; T425-R429 PolarHBondContact O-N 3.49Å
426D87Confident82.6Confident63 Ų6366.8 Ų66.834%0.33733%0.332SS..Hα-helixtrans-62.9-45.3178.1-67.5-51.2000110.9N422 L428 R429 N430N422-D426 PolarHBondContact O-N 3.1Å; N422-D426 VanDerWaalsContact O-OD2 3.12Å; D426-L428 VanDerWaalsContact C-N 3.33Å; D426-L428 PolarHBondContact O-N 2.74Å; D426-R429 PolarHBondContact O-N 2.9Å; D426-R429 IonicContact OD1-CZ 3.15Å; D426-R429 IonicContact OD1-NH1 2.82Å; D426-R429 PolarHBondContact OD1-NH1 3.37Å; D426-R429 IonicContact OD1-NH2 2.66Å; D426-R429 PolarHBondContact OD1-NH2 3.4Å; D426-N430 WeakPolarHBondContact O-CB 3.3Å; D426-N430 PolarHBondContact O-N 3.32Å; D426-N430 PolarHBondContact O-OD1 2.79Å
427Y86.7Confident82.3Confident83 Ų8366.9 Ų66.933%0.32533%0.331SS..Hα-helixtrans-60-41.3173.8-177.3-83.9000112.1I367 L371 K423 K431I367-Y427 HydrophobicContact CG2-CD1 3.85Å; I367-Y427 HydrophobicContact CG2-CD2 4.19Å; I367-Y427 HydrophobicContact CG2-CE1 4.49Å; I367-Y427 HydrophobicContact CG2-CG 3.67Å; L371-Y427 HydrophobicContact CD1-CD1 3.48Å; L371-Y427 VanDerWaalsContact CD1-CD1 3.48Å; L371-Y427 HydrophobicContact CD1-CE1 3.86Å; K423-Y427 WeakPolarHBondContact O-CB 3.17Å; K423-Y427 PolarHBondContact O-N 2.69Å; Y427-K431 HydrophobicContact CD1-CD 4.28Å; Y427-K431 HydrophobicContact CE1-CD 3.56Å; Y427-K431 WeakPolarHBondContact O-CB 3.48Å; Y427-K431 PolarHBondContact O-N 2.87Å
428L83.8Confident82Confident13 Ų1370.6 Ų70.67%0.06835%0.349CS..Hα-helixtrans-68.4-36.6176.7-174.861.1000112.4L371 Y376 L381 A424 T425 D426 N432L371-L428 HydrophobicContact CD2-CB 4.08Å; L371-L428 HydrophobicContact CD2-CD1 4.33Å; L371-L428 HydrophobicContact CD2-CD2 4.12Å; L371-L428 HydrophobicContact CD2-CG 4.41Å; Y376-L428 HydrophobicContact CD1-CD1 4.28Å; L381-L428 HydrophobicContact CD1-CD2 4.2Å; A424-L428 VanDerWaalsContact O-CB 3.27Å; A424-L428 WeakPolarHBondContact O-CB 3.49Å; A424-L428 PolarHBondContact O-N 2.88Å; T425-L428 PolarHBondContact O-N 2.73Å; D426-L428 VanDerWaalsContact C-N 3.33Å; D426-L428 PolarHBondContact O-N 2.74Å; L428-N432 PolarHBondContact O-N 2.84Å; L428-N432 PolarHBondContact O-ND2 3.24Å; L428-N432 VanDerWaalsContact O-ND2 3.11Å
429R81.1Confident81.6Confident113 Ų11374.1 Ų74.143%0.42637%0.365SS..Hα-helixtrans-65.1-55.1174.7-172-172.760.9-109.2-20110.2T425 D426 K431 N432 E433T425-R429 WeakPolarHBondContact O-CB 3.41Å; T425-R429 PolarHBondContact O-N 3.49Å; D426-R429 PolarHBondContact O-N 2.9Å; D426-R429 IonicContact OD1-CZ 3.15Å; D426-R429 IonicContact OD1-NH1 2.82Å; D426-R429 PolarHBondContact OD1-NH1 3.37Å; D426-R429 IonicContact OD1-NH2 2.66Å; D426-R429 PolarHBondContact OD1-NH2 3.4Å; R429-K431 PolarHBondContact O-N 3.14Å; R429-N432 CarbonylContact O-C 3.59Å; R429-N432 WeakPolarHBondContact O-CA 3.34Å; R429-N432 WeakPolarHBondContact O-CB 3.15Å; R429-N432 PolarHBondContact O-N 3.03Å; R429-E433 VanDerWaalsContact CD-OE1 3.29Å; R429-E433 WeakPolarHBondContact CD-OE1 3.4Å; R429-E433 HydrophobicContact CG-CG 4.44Å; R429-E433 VanDerWaalsContact CG-OE1 3.24Å; R429-E433 WeakPolarHBondContact CG-OE1 3.49Å; R429-E433 IonicContact NE-OE1 3.79Å; R429-E433 PolarHBondContact NE-OE1 3.22Å; R429-E433 WeakPolarHBondContact O-CG 3.2Å; R429-E433 PolarHBondContact O-N 2.95Å
430N83.8Confident81.1Confident83 Ų8371.8 Ų71.844%0.44436%0.356SS..Hα-helixtrans-59.6-34.3178.9-61.219.7000111.6D426 N432 E433 A434D426-N430 WeakPolarHBondContact O-CB 3.3Å; D426-N430 PolarHBondContact O-N 3.32Å; D426-N430 PolarHBondContact O-OD1 2.79Å; N430-N432 VanDerWaalsContact C-N 3.26Å; N430-N432 PolarHBondContact O-N 3.07Å; N430-E433 WeakPolarHBondContact CA-OE2 3.28Å; N430-E433 PolarHBondContact O-N 3.32Å; N430-A434 WeakPolarHBondContact O-CB 3.49Å; N430-A434 PolarHBondContact O-N 3.27Å
431K80Confident80.7Confident70 Ų7074.3 Ų74.330%0.30437%0.367SS..Hα-helixtrans-75.1-6.8173.9-173.3167.1-175.8169.50114.5Y427 R429 K435Y427-K431 HydrophobicContact CD1-CD 4.28Å; Y427-K431 HydrophobicContact CE1-CD 3.56Å; Y427-K431 WeakPolarHBondContact O-CB 3.48Å; Y427-K431 PolarHBondContact O-N 2.87Å; R429-K431 PolarHBondContact O-N 3.14Å; K431-K435 VanDerWaalsContact O-CD 3.28Å; K431-K435 WeakPolarHBondContact O-CD 3.3Å; K431-K435 WeakPolarHBondContact O-CE 3.47Å; K431-K435 WeakPolarHBondContact O-CG 3.45Å; K431-K435 PolarHBondContact O-NZ 2.7Å
432N73.8Confident80.1Confident86 Ų8679.6 Ų79.646%0.4639%0.394SS..Hα-helixtrans-107.3-21.9170.6-67.8-24.6000112.3L428 R429 N430 K435L428-N432 PolarHBondContact O-N 2.84Å; L428-N432 PolarHBondContact O-ND2 3.24Å; L428-N432 VanDerWaalsContact O-ND2 3.11Å; R429-N432 CarbonylContact O-C 3.59Å; R429-N432 WeakPolarHBondContact O-CA 3.34Å; R429-N432 WeakPolarHBondContact O-CB 3.15Å; R429-N432 PolarHBondContact O-N 3.03Å; N430-N432 VanDerWaalsContact C-N 3.26Å; N430-N432 PolarHBondContact O-N 3.07Å; N432-K435 PolarHBondContact OD1-NZ 3.15Å
433E73.8Confident79.4Confident126 Ų12680.6 Ų80.659%0.58940%0.397SS*.Hα-helixtrans-76.1-28.5168.1-68.3163.2173.700111.8R429 N430 K435R429-E433 VanDerWaalsContact CD-OE1 3.29Å; R429-E433 WeakPolarHBondContact CD-OE1 3.4Å; R429-E433 HydrophobicContact CG-CG 4.44Å; R429-E433 VanDerWaalsContact CG-OE1 3.24Å; R429-E433 WeakPolarHBondContact CG-OE1 3.49Å; R429-E433 IonicContact NE-OE1 3.79Å; R429-E433 PolarHBondContact NE-OE1 3.22Å; R429-E433 WeakPolarHBondContact O-CG 3.2Å; R429-E433 PolarHBondContact O-N 2.95Å; N430-E433 WeakPolarHBondContact CA-OE2 3.28Å; N430-E433 PolarHBondContact O-N 3.32Å; E433-K435 VanDerWaalsContact C-N 3.27Å; E433-K435 PolarHBondContact O-N 2.74Å
434A70.6Confident78.7Confident88 Ų8880.3 Ų80.373%0.72740%0.399SS*.THydrogen-bonded Turntrans-8832.2173.800000113.8N430N430-A434 WeakPolarHBondContact O-CB 3.49Å; N430-A434 PolarHBondContact O-N 3.27Å
435K49.8Very low78Confident199 Ų19987.6 Ų87.687%0.86544%0.436SS*.  trans-143.60-178.3-77.8-177.4-171.3153.50112.8K431 N432 E433K431-K435 VanDerWaalsContact O-CD 3.28Å; K431-K435 WeakPolarHBondContact O-CD 3.3Å; K431-K435 WeakPolarHBondContact O-CE 3.47Å; K431-K435 WeakPolarHBondContact O-CG 3.45Å; K431-K435 PolarHBondContact O-NZ 2.7Å; N432-K435 PolarHBondContact OD1-NZ 3.15Å; E433-K435 VanDerWaalsContact C-N 3.27Å; E433-K435 PolarHBondContact O-N 2.74Å

Retrieved 435 of 435 residues in 207.3 ms (Link to these results)

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