A0A096NPM2_PAPAN Loading...

Cytochrome P450 26B1

AlphaFold DB (A0A7N9IG73), UniProt , Accession A0A096NPM2, Species PAPAN (Papio anubis, Olive baboon), Gene CYP26B1, Length 512 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
1M53.7Low69.4Low197 Ų197121.3 Ų121.397%0.9765%0.652SS**  0-66.70-69.9-151.7-77.900114.6E4 G5M1-E4 WeakPolarHBondContact CA-OE2 3.48Å; M1-E4 PolarHBondContact N-OE2 2.93Å; M1-G5 PolarHBondContact O-N 3.22Å
2L55.8Low71Confident161 Ų161119.8 Ų119.884%0.84364%0.642SS**Hα-helixtrans-69.4-37.3-179.4-86.4161.1000114.3L6L2-L6 PolarHBondContact O-N 3.35Å
3F56Low72.4Confident183 Ų183114.8 Ų114.880%0.80363%0.628SS**Hα-helixtrans-70.5-38.1179-84.8-87000113.4G5 L6 E7F3-G5 VanDerWaalsContact C-N 3.33Å; F3-G5 PolarHBondContact O-N 2.67Å; F3-L6 PolarHBondContact O-N 3.22Å; F3-E7 PolarHBondContact O-N 3.19Å
4E57.5Low73.7Confident134 Ų134112.4 Ų112.463%0.62662%0.619SS**Hα-helixtrans-66.3-34.3176.7-69.4159.9136.400112.4M1 L8M1-E4 WeakPolarHBondContact CA-OE2 3.48Å; M1-E4 PolarHBondContact N-OE2 2.93Å; E4-L8 WeakPolarHBondContact O-CB 3.11Å; E4-L8 PolarHBondContact O-N 3.49Å; E4-L8 VanDerWaalsContact O-N 3.1Å
5G64.5Low75Confident36 Ų36112.1 Ų112.137%0.37162%0.615SS.*Hα-helixtrans-66.8-35.1174.700000113M1 F3 V9M1-G5 PolarHBondContact O-N 3.22Å; F3-G5 VanDerWaalsContact C-N 3.33Å; F3-G5 PolarHBondContact O-N 2.67Å; G5-V9 WeakPolarHBondContact O-CG2 3.46Å; G5-V9 PolarHBondContact O-N 3.28Å; G5-V9 VanDerWaalsContact O-N 3.08Å
6L68.6Low76Confident134 Ų134108.1 Ų108.170%0.70260%0.602SS**Hα-helixtrans-71.5-39.5178.6-141.891.9000111.9L2 F3 V9 S10L2-L6 PolarHBondContact O-N 3.35Å; F3-L6 PolarHBondContact O-N 3.22Å; L6-V9 PolarHBondContact O-N 3.02Å; L6-S10 WeakPolarHBondContact O-CB 3.47Å; L6-S10 PolarHBondContact O-N 3.14Å
7E75.3Confident77Confident151 Ų151104.9 Ų104.971%0.70659%0.593SS**Hα-helixtrans-66.2-41.2175-70.6-157.3162.600112.1F3 V9 S10 A11F3-E7 PolarHBondContact O-N 3.19Å; E7-V9 PolarHBondContact O-N 3.31Å; E7-S10 PolarHBondContact O-N 3.36Å; E7-A11 VanDerWaalsContact O-CB 3.31Å; E7-A11 WeakPolarHBondContact O-CB 3.43Å; E7-A11 PolarHBondContact O-N 3.06Å
8L78.4Confident77.9Confident110 Ų110103.1 Ų103.158%0.57659%0.587SS**Hα-helixtrans-62.4-43.1175.4-17567.2000111.6E4 A11 L12E4-L8 WeakPolarHBondContact O-CB 3.11Å; E4-L8 PolarHBondContact O-N 3.49Å; E4-L8 VanDerWaalsContact O-N 3.1Å; L8-A11 PolarHBondContact O-N 3.12Å; L8-L12 HydrophobicContact CG-CD1 4.11Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.27Å; L8-L12 PolarHBondContact O-N 2.79Å
9V82.9Confident78.8Confident100 Ų100103.1 Ų103.161%0.60658%0.584SS**Hα-helixtrans-64.8-41.8177170.70000111.4G5 L6 E7 L12 A13G5-V9 WeakPolarHBondContact O-CG2 3.46Å; G5-V9 PolarHBondContact O-N 3.28Å; G5-V9 VanDerWaalsContact O-N 3.08Å; L6-V9 PolarHBondContact O-N 3.02Å; E7-V9 PolarHBondContact O-N 3.31Å; V9-L12 PolarHBondContact O-N 3.23Å; V9-A13 VanDerWaalsContact O-CB 3.28Å; V9-A13 WeakPolarHBondContact O-CB 3.22Å; V9-A13 PolarHBondContact O-N 3.11Å
10S85.5Confident79.6Confident72 Ų72102.7 Ų102.750%0.50358%0.584SS.*Hα-helixtrans-64.2-42.6175.8-175.30000112.2L6 E7 A13 T14L6-S10 WeakPolarHBondContact O-CB 3.47Å; L6-S10 PolarHBondContact O-N 3.14Å; E7-S10 PolarHBondContact O-N 3.36Å; S10-A13 PolarHBondContact O-N 3.23Å; S10-T14 WeakPolarHBondContact O-CB 3.26Å; S10-T14 PolarHBondContact O-N 3.41Å; S10-T14 PolarHBondContact O-OG1 3.42Å
11A85.6Confident80.3Confident56 Ų56100.9 Ų100.946%0.46358%0.577SS.*Hα-helixtrans-64.1-44.1176.100000111.8E7 L8 T14 L15E7-A11 VanDerWaalsContact O-CB 3.31Å; E7-A11 WeakPolarHBondContact O-CB 3.43Å; E7-A11 PolarHBondContact O-N 3.06Å; L8-A11 PolarHBondContact O-N 3.12Å; A11-T14 PolarHBondContact O-N 2.96Å; A11-L15 WeakPolarHBondContact O-CB 3.35Å; A11-L15 PolarHBondContact O-N 3.14Å
12L88.8Confident82.2Confident103 Ų10395.3 Ų95.354%0.53955%0.554SS.*Hα-helixtrans-65.1-40.8175.8-72.7172.3000112.1L8 V9 L15 A16L8-L12 HydrophobicContact CG-CD1 4.11Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.27Å; L8-L12 PolarHBondContact O-N 2.79Å; V9-L12 PolarHBondContact O-N 3.23Å; L12-L15 PolarHBondContact O-N 3.07Å; L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 2.8Å
13A88.6Confident84Confident55 Ų5591.7 Ų91.746%0.45554%0.539SS..Hα-helixtrans-65.1-41.217600000111.8V9 S10 A16 A17V9-A13 VanDerWaalsContact O-CB 3.28Å; V9-A13 WeakPolarHBondContact O-CB 3.22Å; V9-A13 PolarHBondContact O-N 3.11Å; S10-A13 PolarHBondContact O-N 3.23Å; A13-A16 PolarHBondContact O-N 2.89Å; A13-A17 WeakPolarHBondContact O-CB 3.46Å; A13-A17 PolarHBondContact O-N 2.89Å
14T91.3Very high85.8Confident81 Ų8188.4 Ų88.450%0.49753%0.529SS..Hα-helixtrans-64.5-44.8175.5-56.70000110.9S10 A11 A16 A17 C18S10-T14 WeakPolarHBondContact O-CB 3.26Å; S10-T14 PolarHBondContact O-N 3.41Å; S10-T14 PolarHBondContact O-OG1 3.42Å; A11-T14 PolarHBondContact O-N 2.96Å; T14-A16 PolarHBondContact O-N 3.47Å; T14-A17 PolarHBondContact O-N 3.28Å; T14-C18 WeakPolarHBondContact O-CB 3.44Å; T14-C18 PolarHBondContact O-N 3.01Å; T14-C18 PolarHBondContact O-SG 3.27Å
15L91.9Very high87.6Confident108 Ų10887.8 Ų87.857%0.56553%0.53SS*.Hα-helixtrans-62.8-42.7176.7-169.9127.6000111.4A11 L12 C18 L19A11-L15 WeakPolarHBondContact O-CB 3.35Å; A11-L15 PolarHBondContact O-N 3.14Å; L12-L15 PolarHBondContact O-N 3.07Å; L15-C18 PolarHBondContact O-N 3.08Å; L15-L19 HydrophobicContact CD2-CD1 3.73Å; L15-L19 HydrophobicContact CG-CD1 4.46Å; L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.03Å
16A91.7Very high88.9Confident49 Ų4991.3 Ų91.341%0.40554%0.54SS..Hα-helixtrans-62.1-45.6174.300000111.9L12 A13 T14 C18 L19 V20L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 2.8Å; A13-A16 PolarHBondContact O-N 2.89Å; T14-A16 PolarHBondContact O-N 3.47Å; A16-C18 PolarHBondContact O-N 3.45Å; A16-L19 PolarHBondContact O-N 3.44Å; A16-V20 VanDerWaalsContact O-CG2 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.5Å; A16-V20 PolarHBondContact O-N 3.36Å
17A92.6Very high90Very high54 Ų5487.3 Ų87.345%0.44653%0.525SS..Hα-helixtrans-63-39.9177.100000112.3A13 T14 V20 S21A13-A17 WeakPolarHBondContact O-CB 3.46Å; A13-A17 PolarHBondContact O-N 2.89Å; T14-A17 PolarHBondContact O-N 3.28Å; A17-V20 PolarHBondContact O-N 3.45Å; A17-S21 VanDerWaalsContact O-CB 3.32Å; A17-S21 WeakPolarHBondContact O-CB 3.18Å; A17-S21 PolarHBondContact O-N 2.94Å; A17-S21 PolarHBondContact O-OG 3.37Å
18C93.9Very high90.9Very high72 Ų7283.1 Ų83.149%0.48651%0.51SS..Hα-helixtrans-62.4-46.1173.1-75.40000111.5T14 L15 A16 V20 S21 V22T14-C18 WeakPolarHBondContact O-CB 3.44Å; T14-C18 PolarHBondContact O-N 3.01Å; T14-C18 PolarHBondContact O-SG 3.27Å; L15-C18 PolarHBondContact O-N 3.08Å; A16-C18 PolarHBondContact O-N 3.45Å; C18-V20 PolarHBondContact O-N 3.44Å; C18-S21 PolarHBondContact O-N 3.16Å; C18-V22 WeakPolarHBondContact O-CB 3.49Å; C18-V22 VanDerWaalsContact O-CG2 3.26Å; C18-V22 WeakPolarHBondContact O-CG2 3.27Å; C18-V22 PolarHBondContact O-N 3.16Å
19L94.4Very high91.7Very high102 Ų10280.4 Ų80.453%0.53450%0.5SS..Hα-helixtrans-62.6-42.5176.9-72.4171.6000111.9L15 A16 V22 T23L15-L19 HydrophobicContact CD2-CD1 3.73Å; L15-L19 HydrophobicContact CG-CD1 4.46Å; L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.03Å; A16-L19 PolarHBondContact O-N 3.44Å; L19-V22 PolarHBondContact O-N 3.4Å; L19-T23 WeakPolarHBondContact O-CB 3.45Å; L19-T23 VanDerWaalsContact O-CG2 3.24Å; L19-T23 WeakPolarHBondContact O-CG2 3.18Å; L19-T23 PolarHBondContact O-N 3.31Å; L19-T23 PolarHBondContact O-OG1 3.42Å
20V94.8Very high92.1Very high95 Ų9578.1 Ų78.158%0.57648%0.483SS*.Hα-helixtrans-63.1-43.2174.91720000111.1A16 A17 C18 T23 L24A16-V20 VanDerWaalsContact O-CG2 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.5Å; A16-V20 PolarHBondContact O-N 3.36Å; A17-V20 PolarHBondContact O-N 3.45Å; C18-V20 PolarHBondContact O-N 3.44Å; V20-T23 VanDerWaalsContact CA-OG1 3.32Å; V20-T23 WeakPolarHBondContact CA-OG1 3.49Å; V20-T23 PolarHBondContact O-N 3.2Å; V20-T23 PolarHBondContact O-OG1 3.41Å; V20-L24 WeakPolarHBondContact O-CB 3.31Å; V20-L24 PolarHBondContact O-N 3.13Å
21S93.9Very high92.5Very high65 Ų6580.5 Ų80.546%0.45549%0.486SS..Hα-helixtrans-65-44.5179-59.60000111.7A17 C18 L24 L25A17-S21 VanDerWaalsContact O-CB 3.32Å; A17-S21 WeakPolarHBondContact O-CB 3.18Å; A17-S21 PolarHBondContact O-N 2.94Å; A17-S21 PolarHBondContact O-OG 3.37Å; C18-S21 PolarHBondContact O-N 3.16Å; S21-L24 PolarHBondContact O-N 2.92Å; S21-L25 WeakPolarHBondContact O-CB 3.42Å; S21-L25 VanDerWaalsContact O-CG 3.27Å; S21-L25 WeakPolarHBondContact O-CG 3.39Å; S21-L25 PolarHBondContact O-N 3.31Å
22V93.9Very high92.9Very high80 Ų8083 Ų8349%0.48549%0.491SS..Hα-helixtrans-63.9-44.3177.1170.40000110.9C18 L19 L25 L26C18-V22 WeakPolarHBondContact O-CB 3.49Å; C18-V22 VanDerWaalsContact O-CG2 3.26Å; C18-V22 WeakPolarHBondContact O-CG2 3.27Å; C18-V22 PolarHBondContact O-N 3.16Å; L19-V22 PolarHBondContact O-N 3.4Å; V22-L25 PolarHBondContact O-N 3.49Å; V22-L26 HydrophobicContact CG1-CD1 3.98Å; V22-L26 HydrophobicContact CG1-CG 4.43Å; V22-L26 WeakPolarHBondContact O-CB 3.23Å; V22-L26 VanDerWaalsContact O-CG 3.27Å; V22-L26 WeakPolarHBondContact O-CG 3.41Å; V22-L26 PolarHBondContact O-N 3.42Å
23T93Very high93.1Very high85 Ų8579.1 Ų79.152%0.52147%0.47SS..Hα-helixtrans-65.2-40.8178.450.20000112.2L19 V20 L26 A27L19-T23 WeakPolarHBondContact O-CB 3.45Å; L19-T23 VanDerWaalsContact O-CG2 3.24Å; L19-T23 WeakPolarHBondContact O-CG2 3.18Å; L19-T23 PolarHBondContact O-N 3.31Å; L19-T23 PolarHBondContact O-OG1 3.42Å; V20-T23 VanDerWaalsContact CA-OG1 3.32Å; V20-T23 WeakPolarHBondContact CA-OG1 3.49Å; V20-T23 PolarHBondContact O-N 3.2Å; V20-T23 PolarHBondContact O-OG1 3.41Å; T23-L26 PolarHBondContact O-N 2.95Å; T23-A27 WeakPolarHBondContact O-CB 3.46Å; T23-A27 PolarHBondContact O-N 3.4Å
24L95.1Very high93.2Very high114 Ų11482 Ų8260%0.59747%0.473SS*.Hα-helixtrans-62.7-46.3174.3-171.376.3000111.5V20 S21 L26 A27 V28V20-L24 WeakPolarHBondContact O-CB 3.31Å; V20-L24 PolarHBondContact O-N 3.13Å; S21-L24 PolarHBondContact O-N 2.92Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-L26 PolarHBondContact O-N 2.76Å; L24-A27 PolarHBondContact O-N 2.87Å; L24-V28 HydrophobicContact CG-CG2 4.45Å; L24-V28 WeakPolarHBondContact O-CB 3.13Å; L24-V28 WeakPolarHBondContact O-CG2 3.49Å; L24-V28 PolarHBondContact O-N 3.31Å
25L94.1Very high93.2Very high122 Ų12283.4 Ų83.464%0.63948%0.478SS*.Hα-helixtrans-60.4-42.6177.3-76170.6000111.8S21 V22 S29S21-L25 WeakPolarHBondContact O-CB 3.42Å; S21-L25 VanDerWaalsContact O-CG 3.27Å; S21-L25 WeakPolarHBondContact O-CG 3.39Å; S21-L25 PolarHBondContact O-N 3.31Å; V22-L25 PolarHBondContact O-N 3.49Å; L25-S29 WeakPolarHBondContact O-CB 3.29Å; L25-S29 PolarHBondContact O-N 3.08Å
26L91.8Very high93.3Very high110 Ų11085.6 Ų85.658%0.57648%0.478SS*.Hα-helixtrans-64.1-42.3175.4-71.9172.8000111.7V22 T23 L24 S29 Q30V22-L26 HydrophobicContact CG1-CD1 3.98Å; V22-L26 HydrophobicContact CG1-CG 4.43Å; V22-L26 WeakPolarHBondContact O-CB 3.23Å; V22-L26 VanDerWaalsContact O-CG 3.27Å; V22-L26 WeakPolarHBondContact O-CG 3.41Å; V22-L26 PolarHBondContact O-N 3.42Å; T23-L26 PolarHBondContact O-N 2.95Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-L26 PolarHBondContact O-N 2.76Å; L26-S29 PolarHBondContact O-N 3.32Å; L26-Q30 VanDerWaalsContact O-CB 3.3Å; L26-Q30 WeakPolarHBondContact O-CB 3.27Å; L26-Q30 PolarHBondContact O-N 2.89Å
27A92.4Very high93.2Very high49 Ų4984.6 Ų84.641%0.40546%0.464SS..Hα-helixtrans-64.4-4717800000112T23 L24 Q30 Q31T23-A27 WeakPolarHBondContact O-CB 3.46Å; T23-A27 PolarHBondContact O-N 3.4Å; L24-A27 PolarHBondContact O-N 2.87Å; A27-Q30 PolarHBondContact O-N 3.08Å; A27-Q31 WeakPolarHBondContact O-CG 3.17Å; A27-Q31 PolarHBondContact O-N 3.33Å
28V95.1Very high93Very high64 Ų6484.9 Ų84.939%0.38847%0.466SS..Hα-helixtrans-63-45176.4172.40000110.5L24 Q30 Q31 L32L24-V28 HydrophobicContact CG-CG2 4.45Å; L24-V28 WeakPolarHBondContact O-CB 3.13Å; L24-V28 WeakPolarHBondContact O-CG2 3.49Å; L24-V28 PolarHBondContact O-N 3.31Å; V28-Q30 VanDerWaalsContact C-N 3.3Å; V28-Q30 PolarHBondContact O-N 3.3Å; V28-Q31 PolarHBondContact O-N 2.96Å; V28-L32 HydrophobicContact CG1-CD1 3.94Å; V28-L32 HydrophobicContact CG1-CG 4.25Å; V28-L32 WeakPolarHBondContact O-CB 3.42Å; V28-L32 WeakPolarHBondContact O-CG 3.03Å; V28-L32 PolarHBondContact O-N 3.45Å
29S94.1Very high92.9Very high52 Ų5285 Ų8536%0.36447%0.473SS..Hα-helixtrans-58.4-43.2176.1-174.60000111.6L25 L26 L32 W33 P57L25-S29 WeakPolarHBondContact O-CB 3.29Å; L25-S29 PolarHBondContact O-N 3.08Å; L26-S29 PolarHBondContact O-N 3.32Å; S29-L32 PolarHBondContact O-N 3.25Å; S29-W33 VanDerWaalsContact O-CB 3.26Å; S29-W33 WeakPolarHBondContact O-CB 3.24Å; S29-W33 PolarHBondContact O-N 3.37Å; S29-P57 WeakPolarHBondContact OG-CG 3.28Å
30Q92.3Very high92.8Very high53 Ų5382.6 Ų82.625%0.24846%0.462CS..Hα-helixtrans-66.2-40.2176.4-170.164.515.400112.4L26 A27 V28 W33 Q34 G55L26-Q30 VanDerWaalsContact O-CB 3.3Å; L26-Q30 WeakPolarHBondContact O-CB 3.27Å; L26-Q30 PolarHBondContact O-N 2.89Å; A27-Q30 PolarHBondContact O-N 3.08Å; V28-Q30 VanDerWaalsContact C-N 3.3Å; V28-Q30 PolarHBondContact O-N 3.3Å; Q30-W33 WeakPolarHBondContact O-CB 3.32Å; Q30-W33 PolarHBondContact O-N 2.69Å; Q30-Q34 WeakPolarHBondContact O-CG 3.39Å; Q30-Q34 PolarHBondContact O-N 2.91Å; Q30-G55 PolarHBondContact NE2-O 3.46Å
31Q92.6Very high92.7Very high121 Ų12182.8 Ų82.857%0.56545%0.453SS*.Hα-helixtrans-65.6-46.8176-76.1179.8-5.900111.7A27 V28 W33 Q34 L35A27-Q31 WeakPolarHBondContact O-CG 3.17Å; A27-Q31 PolarHBondContact O-N 3.33Å; V28-Q31 PolarHBondContact O-N 2.96Å; Q31-W33 VanDerWaalsContact C-N 3.26Å; Q31-W33 PolarHBondContact O-N 3.18Å; Q31-Q34 PolarHBondContact O-N 3.26Å; Q31-L35 WeakPolarHBondContact O-CB 3.46Å; Q31-L35 WeakPolarHBondContact O-CG 3.31Å; Q31-L35 PolarHBondContact O-N 3.21Å
32L94.6Very high92.7Very high109 Ų10981.8 Ų81.857%0.57144%0.442SS*.Hα-helixtrans-60.7-37.9175.5-70.1176.2000111.5V28 S29 L35 R36V28-L32 HydrophobicContact CG1-CD1 3.94Å; V28-L32 HydrophobicContact CG1-CG 4.25Å; V28-L32 WeakPolarHBondContact O-CB 3.42Å; V28-L32 WeakPolarHBondContact O-CG 3.03Å; V28-L32 PolarHBondContact O-N 3.45Å; S29-L32 PolarHBondContact O-N 3.25Å; L32-L35 PolarHBondContact O-N 3.24Å; L32-R36 VanDerWaalsContact O-CB 3.31Å; L32-R36 WeakPolarHBondContact O-CB 3.4Å; L32-R36 PolarHBondContact O-N 2.89Å
33W93.9Very high92.7Very high22 Ų2287.2 Ų87.28%0.08346%0.459CS..Hα-helixtrans-62.7-45.5174.3-177.5-117.6000112.4S29 Q30 Q31 R36 W37 M54 G55 P57 H87S29-W33 VanDerWaalsContact O-CB 3.26Å; S29-W33 WeakPolarHBondContact O-CB 3.24Å; S29-W33 PolarHBondContact O-N 3.37Å; Q30-W33 WeakPolarHBondContact O-CB 3.32Å; Q30-W33 PolarHBondContact O-N 2.69Å; Q31-W33 VanDerWaalsContact C-N 3.26Å; Q31-W33 PolarHBondContact O-N 3.18Å; W33-R36 PolarHBondContact O-N 3.08Å; W33-W37 AromaticContact CD2-CD1 3.86Å; W33-W37 AromaticContact CD2-NE1 3.4Å; W33-W37 AromaticContact CE2-CD1 3.73Å; W33-W37 AromaticContact CE2-NE1 3.12Å; W33-W37 AromaticContact CE3-NE1 3.6Å; W33-W37 AromaticContact CH2-CE2 3.76Å; W33-W37 AromaticContact CH2-CZ2 3.62Å; W33-W37 HydrophobicContact CH2-CZ2 3.62Å; W33-W37 AromaticContact CH2-NE1 3.29Å; W33-W37 VanDerWaalsContact CH2-NE1 3.29Å; W33-W37 AromaticContact CZ2-CE2 3.89Å; W33-W37 HydrophobicContact CZ2-CZ2 4.11Å; W33-W37 AromaticContact CZ2-NE1 3.08Å; W33-W37 HydrophobicContact CZ3-CZ2 4.04Å; W33-W37 AromaticContact CZ3-NE1 3.55Å; W33-W37 AromaticContact NE1-NE1 3.81Å; W33-W37 PolarHBondContact O-N 2.67Å; W33-M54 PolarHBondContact NE1-O 3.33Å; W33-G55 PolarHBondContact NE1-O 3.1Å; W33-P57 HydrophobicContact CB-CG 4.04Å; W33-P57 HydrophobicContact CD2-CB 4.16Å; W33-P57 HydrophobicContact CD2-CG 4.46Å; W33-P57 HydrophobicContact CE3-CB 4.15Å; W33-P57 HydrophobicContact CG-CB 4.36Å; W33-P57 HydrophobicContact CG-CG 4.14Å; W33-H87 AromaticContact CH2-CE1 3.81Å; W33-H87 AromaticContact CH2-NE2 3.5Å; W33-H87 AromaticContact CZ2-CD2 3.67Å; W33-H87 AromaticContact CZ2-CE1 3.8Å; W33-H87 AromaticContact CZ2-CG 3.9Å; W33-H87 AromaticContact CZ2-ND1 3.99Å; W33-H87 AromaticContact CZ2-NE2 3.62Å
34Q90Very high92.8Very high114 Ų11488.1 Ų88.153%0.53347%0.469SS..Hα-helixtrans-64.1-44.8175.3-72.1-179.5000111.9Q30 Q31 R36 W37 A38Q30-Q34 WeakPolarHBondContact O-CG 3.39Å; Q30-Q34 PolarHBondContact O-N 2.91Å; Q31-Q34 PolarHBondContact O-N 3.26Å; Q34-R36 PolarHBondContact O-N 2.66Å; Q34-W37 PolarHBondContact O-N 2.94Å; Q34-A38 WeakPolarHBondContact O-CB 3.13Å; Q34-A38 PolarHBondContact O-N 3.22Å
35L92.1Very high92.8Very high112 Ų11284 Ų8459%0.58645%0.45SS*.Hα-helixtrans-60.6-44.3177.5-75.6168.5000111.6Q31 L32 W37 A38 A39Q31-L35 WeakPolarHBondContact O-CB 3.46Å; Q31-L35 WeakPolarHBondContact O-CG 3.31Å; Q31-L35 PolarHBondContact O-N 3.21Å; L32-L35 PolarHBondContact O-N 3.24Å; L35-W37 VanDerWaalsContact C-N 3.3Å; L35-W37 PolarHBondContact O-N 3.5Å; L35-A38 PolarHBondContact O-N 2.99Å; L35-A39 WeakPolarHBondContact O-CB 3.34Å; L35-A39 PolarHBondContact O-N 3.28Å
36R92.8Very high92.9Very high154 Ų15487.7 Ų87.758%0.58146%0.461SS*.Hα-helixtrans-52-49.6175.7175.7-176.2175.784.91.5111.1L32 W33 Q34 A39L32-R36 VanDerWaalsContact O-CB 3.31Å; L32-R36 WeakPolarHBondContact O-CB 3.4Å; L32-R36 PolarHBondContact O-N 2.89Å; W33-R36 PolarHBondContact O-N 3.08Å; Q34-R36 PolarHBondContact O-N 2.66Å; R36-A39 PolarHBondContact O-N 3.22Å
37W91Very high93.1Very high27 Ų2784.8 Ų84.810%0.10245%0.445CS..Hα-helixtrans-77.9-34-176.9-64.4119000113W33 Q34 L35 A39 T40 M54 H87 P92 W390W33-W37 AromaticContact CD2-CD1 3.86Å; W33-W37 AromaticContact CD2-NE1 3.4Å; W33-W37 AromaticContact CE2-CD1 3.73Å; W33-W37 AromaticContact CE2-NE1 3.12Å; W33-W37 AromaticContact CE3-NE1 3.6Å; W33-W37 AromaticContact CH2-CE2 3.76Å; W33-W37 AromaticContact CH2-CZ2 3.62Å; W33-W37 HydrophobicContact CH2-CZ2 3.62Å; W33-W37 AromaticContact CH2-NE1 3.29Å; W33-W37 VanDerWaalsContact CH2-NE1 3.29Å; W33-W37 AromaticContact CZ2-CE2 3.89Å; W33-W37 HydrophobicContact CZ2-CZ2 4.11Å; W33-W37 AromaticContact CZ2-NE1 3.08Å; W33-W37 HydrophobicContact CZ3-CZ2 4.04Å; W33-W37 AromaticContact CZ3-NE1 3.55Å; W33-W37 AromaticContact NE1-NE1 3.81Å; W33-W37 PolarHBondContact O-N 2.67Å; Q34-W37 PolarHBondContact O-N 2.94Å; L35-W37 VanDerWaalsContact C-N 3.3Å; L35-W37 PolarHBondContact O-N 3.5Å; W37-A39 PolarHBondContact O-N 3.35Å; W37-T40 HydrophobicContact CE3-CG2 3.97Å; W37-T40 HydrophobicContact CZ3-CG2 4.32Å; W37-T40 PolarHBondContact O-N 2.97Å; W37-T40 VanDerWaalsContact O-N 3.15Å; W37-T40 PolarHBondContact O-OG1 3.19Å; W37-M54 HydrophobicContact CB-CE 4.17Å; W37-M54 HydrophobicContact CB-CG 4.06Å; W37-M54 HydrophobicContact CD2-CE 3.62Å; W37-M54 HydrophobicContact CE3-CE 4.25Å; W37-M54 HydrophobicContact CG-CE 3.54Å; W37-M54 HydrophobicContact CG-CG 3.98Å; W37-M54 HydrophobicContact CG-SD 4.45Å; W37-H87 AromaticContact CZ2-CD2 3.66Å; W37-H87 AromaticContact CZ2-NE2 3.57Å; W37-P92 HydrophobicContact CE3-CB 4.09Å; W37-P92 HydrophobicContact CE3-CG 4.32Å; W37-P92 HydrophobicContact CH2-CB 4.02Å; W37-P92 HydrophobicContact CH2-CG 3.72Å; W37-P92 HydrophobicContact CZ3-CB 3.78Å; W37-P92 HydrophobicContact CZ3-CG 3.54Å; W37-W390 HydrophobicContact CE3-CZ2 4.16Å
38A88.2Confident93.2Very high60 Ų6085.7 Ų85.750%0.49645%0.447SS..Hα-helixtrans-60.8-35.9170.800000111.8Q34 L35 T40 R41Q34-A38 WeakPolarHBondContact O-CB 3.13Å; Q34-A38 PolarHBondContact O-N 3.22Å; L35-A38 PolarHBondContact O-N 2.99Å; A38-T40 PolarHBondContact O-N 2.74Å; A38-R41 VanDerWaalsContact O-CB 3.23Å; A38-R41 WeakPolarHBondContact O-CB 3.33Å; A38-R41 PolarHBondContact O-N 3.3Å
39A91.4Very high93.2Very high75 Ų7584 Ų8462%0.6244%0.435SS*.THydrogen-bonded Turntrans-68.6-18.9177.100000113.9L35 R36 W37 R41L35-A39 WeakPolarHBondContact O-CB 3.34Å; L35-A39 PolarHBondContact O-N 3.28Å; R36-A39 PolarHBondContact O-N 3.22Å; W37-A39 PolarHBondContact O-N 3.35Å; A39-R41 PolarHBondContact O-N 3.12Å
40T91.1Very high93.4Very high52 Ų5281.5 Ų81.532%0.31942%0.418SS..THydrogen-bonded Turntrans-78.90.617567.70000113.9W37 A38 W390W37-T40 HydrophobicContact CE3-CG2 3.97Å; W37-T40 HydrophobicContact CZ3-CG2 4.32Å; W37-T40 PolarHBondContact O-N 2.97Å; W37-T40 VanDerWaalsContact O-N 3.15Å; W37-T40 PolarHBondContact O-OG1 3.19Å; A38-T40 PolarHBondContact O-N 2.74Å; T40-W390 VanDerWaalsContact OG1-CZ2 3.22Å; T40-W390 WeakPolarHBondContact OG1-CZ2 3.21Å; T40-W390 PolarHBondContact OG1-NE1 3.04Å
41R93.3Very high93.6Very high99 Ų9985.4 Ų85.437%0.37443%0.434SS..SBendtrans-56.7140170.8-172.6-176.5169.3-171.7-4.6110.5A38 A39 K43 C45 K46 L47 I49 Q385A38-R41 VanDerWaalsContact O-CB 3.23Å; A38-R41 WeakPolarHBondContact O-CB 3.33Å; A38-R41 PolarHBondContact O-N 3.3Å; A39-R41 PolarHBondContact O-N 3.12Å; R41-K43 PolarHBondContact O-N 3.45Å; R41-C45 PolarHBondContact NH2-O 2.91Å; R41-K46 VanDerWaalsContact NH2-C 3.3Å; R41-K46 PolarHBondContact NH2-O 2.86Å; R41-L47 PolarHBondContact NE-O 3.29Å; R41-L47 PolarHBondContact NH2-O 2.93Å; R41-L47 VanDerWaalsContact NH2-O 3.12Å; R41-I49 HydrophobicContact CB-CD1 3.73Å; R41-I49 HydrophobicContact CB-CG1 4.15Å; R41-I49 HydrophobicContact CG-CD1 4.18Å; R41-I49 HydrophobicContact CG-CG1 4.03Å; R41-Q385 VanDerWaalsContact CG-CD 3.44Å; R41-Q385 VanDerWaalsContact CG-OE1 3.29Å
42D94.9Very high93.7Very high44 Ų4480.5 Ų80.524%0.23542%0.416CS..  trans-71.3109.9164.6-168.1-24.3000109.9S44 C45 T378 Q385D42-S44 VanDerWaalsContact CG-OG 3.31Å; D42-S44 PolarHBondContact O-N 3.16Å; D42-S44 WeakPolarHBondContact OD1-CB 3.34Å; D42-S44 PolarHBondContact OD1-N 3.16Å; D42-S44 PolarHBondContact OD1-OG 2.75Å; D42-S44 PolarHBondContact OD2-OG 3.29Å; D42-C45 HydrophobicContact CB-CB 4.24Å; D42-C45 PolarHBondContact O-N 3.32Å; D42-T378 HydrophobicContact CB-CG2 3.78Å; D42-T378 WeakPolarHBondContact CB-OG1 3.46Å; D42-T378 WeakPolarHBondContact OD2-CB 3.24Å; D42-T378 PolarHBondContact OD2-OG1 3.32Å; D42-Q385 VanDerWaalsContact CB-OE1 3.32Å; D42-Q385 PolarHBondContact O-NE2 2.84Å; D42-Q385 VanDerWaalsContact O-NE2 3.1Å
43K93.9Very high93.7Very high194 Ų19477.1 Ų77.184%0.84340%0.401SS*.THydrogen-bonded Turntrans-68.3-21.3-179.3-63.2-176.8-178.5179.10113R41 C45R41-K43 PolarHBondContact O-N 3.45Å; K43-C45 VanDerWaalsContact C-N 3.28Å
44S94.9Very high93.7Very high104 Ų10476.5 Ų76.573%0.72740%0.4SS*.THydrogen-bonded Turntrans-75.5-20.5175.373.20000112.3D42D42-S44 VanDerWaalsContact CG-OG 3.31Å; D42-S44 PolarHBondContact O-N 3.16Å; D42-S44 WeakPolarHBondContact OD1-CB 3.34Å; D42-S44 PolarHBondContact OD1-N 3.16Å; D42-S44 PolarHBondContact OD1-OG 2.75Å; D42-S44 PolarHBondContact OD2-OG 3.29Å
45C94.4Very high93.9Very high28 Ų2871.6 Ų71.619%0.18938%0.379CS..  trans-96.5121.1-179.5-172.30000111.9R41 D42 K43 L47 T378 Q385R41-C45 PolarHBondContact NH2-O 2.91Å; D42-C45 HydrophobicContact CB-CB 4.24Å; D42-C45 PolarHBondContact O-N 3.32Å; K43-C45 VanDerWaalsContact C-N 3.28Å; C45-L47 VanDerWaalsContact C-N 3.27Å; C45-L47 PolarHBondContact O-N 3.03Å; C45-T378 HydrophobicContact CB-CG2 4.31Å; C45-Q385 HydrophobicContact CB-CB 4.26Å; C45-Q385 PolarHBondContact O-NE2 2.99Å
46K95.2Very high93.9Very high199 Ų19971.7 Ų71.787%0.86538%0.375SS*.  trans-68.6-23.1-179.8-65.2-175.8-179.4179.50113.6R41R41-K46 VanDerWaalsContact NH2-C 3.3Å; R41-K46 PolarHBondContact NH2-O 2.86Å
47L97.1Very high93.8Very high48 Ų4866.1 Ų66.125%0.25136%0.359SS..SBendtrans-67.1149.9-179.6-59.2176.9000111.9R41 C45 E380 Q385R41-L47 PolarHBondContact NE-O 3.29Å; R41-L47 PolarHBondContact NH2-O 2.93Å; R41-L47 VanDerWaalsContact NH2-O 3.12Å; C45-L47 VanDerWaalsContact C-N 3.27Å; C45-L47 PolarHBondContact O-N 3.03Å; L47-E380 HydrophobicContact CD1-CB 3.82Å; L47-E380 VanDerWaalsContact CD1-CD 3.46Å; L47-E380 HydrophobicContact CD1-CG 3.48Å; L47-E380 VanDerWaalsContact CD1-CG 3.48Å; L47-E380 WeakPolarHBondContact CD1-OE2 3.16Å; L47-Q385 HydrophobicContact CB-CB 4.2Å; L47-Q385 WeakPolarHBondContact O-CG 3.49Å; L47-Q385 PolarHBondContact O-NE2 3.46Å
48P95.3Very high93.4Very high68 Ų6871.3 Ų71.344%0.44239%0.388SS..PPolyproline II helixtrans-75.1159.4173.430.7-32.7000111.8F384 Q385P48-F384 HydrophobicContact CG-CD1 3.91Å; P48-F384 HydrophobicContact CG-CE1 4.17Å; P48-F384 CarbonylContact O-C 3.58Å; P48-F384 VanDerWaalsContact O-CA 3.29Å; P48-F384 WeakPolarHBondContact O-CA 3.38Å; P48-Q385 WeakPolarHBondContact O-CG 3.42Å; P48-Q385 PolarHBondContact O-N 3.37Å
49I95.2Very high93.4Very high28 Ų2873.4 Ų73.414%0.14439%0.39CS..PPolyproline II helixtrans-68149.4166.1-61.9-179.9000108.5R41 K85 Q385 P387R41-I49 HydrophobicContact CB-CD1 3.73Å; R41-I49 HydrophobicContact CB-CG1 4.15Å; R41-I49 HydrophobicContact CG-CD1 4.18Å; R41-I49 HydrophobicContact CG-CG1 4.03Å; I49-K85 HydrophobicContact CG2-CD 3.76Å; I49-Q385 HydrophobicContact CG1-CG 4.1Å; I49-P387 HydrophobicContact CD1-CG 4.31Å; I49-P387 HydrophobicContact CG1-CG 4.22Å
50P96.8Very high93.5Very high0 Ų070 Ų700%036%0.361CS..PPolyproline II helixtrans-47.2143.7174.2-30.635.4000113.7V83 K85 I94 F384 Q385 I386P50-V83 HydrophobicContact CB-CG1 4.11Å; P50-V83 HydrophobicContact CG-CG1 3.7Å; P50-K85 HydrophobicContact CB-CB 4.49Å; P50-K85 WeakPolarHBondContact O-CD 3.24Å; P50-K85 WeakPolarHBondContact O-CE 3.49Å; P50-K85 WeakPolarHBondContact O-CG 3.42Å; P50-I94 HydrophobicContact CG-CD1 4.28Å; P50-I94 HydrophobicContact CG-CG2 4.15Å; P50-F384 VanDerWaalsContact CA-CD1 3.5Å; P50-F384 HydrophobicContact CB-CB 4.4Å; P50-F384 HydrophobicContact CB-CG 4.28Å; P50-F384 HydrophobicContact CG-CB 3.69Å; P50-F384 HydrophobicContact CG-CG 4.1Å; P50-Q385 WeakPolarHBondContact CD-O 3.33Å; P50-I386 HydrophobicContact CG-CD1 3.87Å
51K96.2Very high93.7Very high136 Ų13667.9 Ų67.959%0.59135%0.348SS*.SBendtrans-60.5157.7169.5-65.3-179.5-178.51760109.7Y80 F84 K85 F384K51-Y80 HydrophobicContact CB-CD1 4.02Å; K51-Y80 HydrophobicContact CB-CG 4.47Å; K51-F84 CarbonylContact O-C 3.54Å; K51-F84 WeakPolarHBondContact O-CA 3.44Å; K51-F84 VanDerWaalsContact O-CB 3.3Å; K51-F84 WeakPolarHBondContact O-CB 3.4Å; K51-K85 PolarHBondContact O-N 2.83Å; K51-F384 HydrophobicContact CG-CE1 4.32Å; K51-F384 HydrophobicContact CG-CZ 4.34Å
52G95.6Very high93.6Very high17 Ų1764.1 Ų64.118%0.17534%0.336CS..BIsolated β-bridgetrans137.7176.5178.400000114K85G52-K85 CarbonylContact C-O 3.53Å; G52-K85 WeakPolarHBondContact CA-O 3.38Å; G52-K85 WeakPolarHBondContact O-CE 3.21Å; G52-K85 PolarHBondContact O-NZ 3.13Å
53S94.6Very high93.2Very high39 Ų3963.8 Ų63.827%0.27334%0.343SS..  trans-108.6133.4-172.5-1780000111.5G55 K85 T86S53-G55 PolarHBondContact O-N 3.27Å; S53-G55 PolarHBondContact OG-N 3.46Å; S53-G55 VanDerWaalsContact OG-N 3.08Å; S53-K85 PolarHBondContact N-O 2.88Å; S53-T86 VanDerWaalsContact O-CA 3.28Å; S53-T86 WeakPolarHBondContact O-CA 3.42Å
54M94.6Very high93Very high9 Ų958.7 Ų58.74%0.04432%0.322CS..  trans-85.95.1169.8-58.7-54.4-72.900112.3W33 W37 G60 K85 H87 P92 W390W33-M54 PolarHBondContact NE1-O 3.33Å; W37-M54 HydrophobicContact CB-CE 4.17Å; W37-M54 HydrophobicContact CB-CG 4.06Å; W37-M54 HydrophobicContact CD2-CE 3.62Å; W37-M54 HydrophobicContact CE3-CE 4.25Å; W37-M54 HydrophobicContact CG-CE 3.54Å; W37-M54 HydrophobicContact CG-CG 3.98Å; W37-M54 HydrophobicContact CG-SD 4.45Å; M54-G60 WeakPolarHBondContact O-CA 3.46Å; M54-K85 HydrophobicContact SD-CB 4.4Å; M54-K85 HydrophobicContact SD-CD 4.03Å; M54-K85 HydrophobicContact SD-CG 4.11Å; M54-H87 HydrophobicContact CB-CB 4.49Å; M54-H87 HydrophobicContact CE-CB 3.91Å; M54-H87 WeakPolarHBondContact O-CB 3.27Å; M54-P92 HydrophobicContact CE-CB 3.81Å; M54-W390 HydrophobicContact CE-CH2 3.91Å; M54-W390 HydrophobicContact CE-CZ3 4.29Å; M54-W390 HydrophobicContact SD-CH2 4.09Å; M54-W390 HydrophobicContact SD-CZ3 4.44Å
55G93.7Very high92.7Very high10 Ų1056.3 Ų56.310%0.10330%0.297CS..  trans57.1-151.6-17800000113.7Q30 W33 S53Q30-G55 PolarHBondContact NE2-O 3.46Å; W33-G55 PolarHBondContact NE1-O 3.1Å; S53-G55 PolarHBondContact O-N 3.27Å; S53-G55 PolarHBondContact OG-N 3.46Å; S53-G55 VanDerWaalsContact OG-N 3.08Å
56F91.9Very high92.2Very high114 Ų11460.8 Ų60.850%0.532%0.319SS..BIsolated β-bridgetrans-77.2155175.8-70.3-75.8000111.3L58 I59 G60F56-L58 PolarHBondContact O-N 3.29Å; F56-I59 HydrophobicContact CB-CD1 3.96Å; F56-I59 HydrophobicContact CB-CG1 3.71Å; F56-I59 HydrophobicContact CD2-CD1 4.41Å; F56-G60 PolarHBondContact N-O 3.26Å; F56-G60 VanDerWaalsContact O-CA 3.23Å; F56-G60 WeakPolarHBondContact O-CA 3.4Å; F56-G60 PolarHBondContact O-N 3.08Å
57P90.1Very high91.7Very high37 Ų3758.7 Ų58.724%0.2432%0.316CS..THydrogen-bonded Turntrans-51.9137.5174.6-24.633.5000112.1S29 W33 I59S29-P57 WeakPolarHBondContact OG-CG 3.28Å; W33-P57 HydrophobicContact CB-CG 4.04Å; W33-P57 HydrophobicContact CD2-CB 4.16Å; W33-P57 HydrophobicContact CD2-CG 4.46Å; W33-P57 HydrophobicContact CE3-CB 4.15Å; W33-P57 HydrophobicContact CG-CB 4.36Å; W33-P57 HydrophobicContact CG-CG 4.14Å; P57-I59 PolarHBondContact O-N 3.33Å
58L83.4Confident91.1Very high136 Ų13660.6 Ų60.671%0.71232%0.324SS*.THydrogen-bonded Turntrans67.1-50.2180-53.1171.8000115.7F56 H87F56-L58 PolarHBondContact O-N 3.29Å; L58-H87 PolarHBondContact O-CE1 3.41Å; L58-H87 VanDerWaalsContact O-CE1 3.28Å
59I88.3Confident90.4Very high105 Ų10559 Ų5954%0.53832%0.32SS..THydrogen-bonded Turntrans-84-22-176.563.3172.5000112.9F56 P57 E61 T62F56-I59 HydrophobicContact CB-CD1 3.96Å; F56-I59 HydrophobicContact CB-CG1 3.71Å; F56-I59 HydrophobicContact CD2-CD1 4.41Å; P57-I59 PolarHBondContact O-N 3.33Å; I59-E61 PolarHBondContact O-N 3.36Å; I59-T62 VanDerWaalsContact O-CB 3.23Å; I59-T62 WeakPolarHBondContact O-CB 2.77Å; I59-T62 PolarHBondContact O-N 2.97Å; I59-T62 PolarHBondContact O-OG1 2.94Å
60G94Very high89.4Confident2 Ų261.1 Ų61.12%0.02134%0.337CS..BIsolated β-bridgetrans57.8-130.8-178.200000113.3M54 F56 H87M54-G60 WeakPolarHBondContact O-CA 3.46Å; F56-G60 PolarHBondContact N-O 3.26Å; F56-G60 VanDerWaalsContact O-CA 3.23Å; F56-G60 WeakPolarHBondContact O-CA 3.4Å; F56-G60 PolarHBondContact O-N 3.08Å; G60-H87 CarbonylContact C-O 3.53Å; G60-H87 WeakPolarHBondContact CA-O 3.44Å
61E94.6Very high88.8Confident8 Ų862.7 Ų62.74%0.03735%0.353CS..THydrogen-bonded Turntrans-98.912.1175.8-64.6-1679100112.8I59 G63 H64 W65 F72 R76 T86 H87 L88I59-E61 PolarHBondContact O-N 3.36Å; E61-G63 VanDerWaalsContact C-N 3.31Å; E61-G63 PolarHBondContact O-N 3.49Å; E61-H64 WeakPolarHBondContact O-CB 3.42Å; E61-H64 PolarHBondContact O-N 2.73Å; E61-W65 PolarHBondContact O-N 3.13Å; E61-F72 HydrophobicContact CB-CE2 3.86Å; E61-F72 HydrophobicContact CB-CZ 3.82Å; E61-R76 IonicContact OE1-CZ 3.35Å; E61-R76 IonicContact OE1-NE 3.64Å; E61-R76 PolarHBondContact OE1-NE 3.17Å; E61-R76 VanDerWaalsContact OE1-NE 3.14Å; E61-R76 IonicContact OE1-NH2 3.21Å; E61-R76 PolarHBondContact OE1-NH2 3.11Å; E61-T86 WeakPolarHBondContact OE2-CB 3.31Å; E61-T86 PolarHBondContact OE2-OG1 3.15Å; E61-H87 PolarHBondContact N-O 2.86Å; E61-L88 HydrophobicContact CB-CD2 4.13Å
62T90.3Very high88.5Confident20 Ų2056.2 Ų56.212%0.12333%0.325CS..Hα-helixtrans-55.8-41.6-173-52.40000113I59 W65 L66 L89I59-T62 VanDerWaalsContact O-CB 3.23Å; I59-T62 WeakPolarHBondContact O-CB 2.77Å; I59-T62 PolarHBondContact O-N 2.97Å; I59-T62 PolarHBondContact O-OG1 2.94Å; T62-W65 HydrophobicContact CG2-CE3 4.32Å; T62-W65 WeakPolarHBondContact O-CB 3.49Å; T62-W65 PolarHBondContact O-N 2.87Å; T62-L66 HydrophobicContact CG2-CD1 4.3Å; T62-L66 WeakPolarHBondContact O-CG 3.37Å; T62-L66 PolarHBondContact O-N 3.12Å; T62-L89 HydrophobicContact CG2-CD2 3.69Å; T62-L89 HydrophobicContact CG2-CG 4.42Å; T62-L89 PolarHBondContact OG1-N 2.97Å
63G87.4Confident88.1Confident38 Ų3856 Ų5639%0.39232%0.319SS..Hα-helixtrans-64.1-43.3176.900000113E61 W65 L66 L67E61-G63 VanDerWaalsContact C-N 3.31Å; E61-G63 PolarHBondContact O-N 3.49Å; G63-W65 VanDerWaalsContact C-N 3.29Å; G63-W65 PolarHBondContact O-N 3.47Å; G63-L66 PolarHBondContact O-N 2.92Å; G63-L67 WeakPolarHBondContact O-CB 3.22Å; G63-L67 WeakPolarHBondContact O-CG 3.34Å; G63-L67 PolarHBondContact O-N 3.36Å
64H88.8Confident87.8Confident86 Ų8656.5 Ų56.540%0.39832%0.323SS..Hα-helixtrans-61.9-39.9174.7-66.294.2000111.5E61 L67 Q68 F72E61-H64 WeakPolarHBondContact O-CB 3.42Å; E61-H64 PolarHBondContact O-N 2.73Å; H64-L67 PolarHBondContact O-N 2.55Å; H64-Q68 VanDerWaalsContact O-CB 3.26Å; H64-Q68 WeakPolarHBondContact O-CB 3.48Å; H64-Q68 WeakPolarHBondContact O-CG 3.3Å; H64-Q68 PolarHBondContact O-N 3.31Å; H64-F72 HydrophobicContact CB-CD2 4.09Å; H64-F72 HydrophobicContact CB-CE2 3.95Å
65W88.4Confident87.7Confident55 Ų5558.4 Ų58.421%0.20834%0.337CS..Hα-helixtrans-63.9-43.3176.4171.767000112.2E61 T62 G63 G69 F72 L88 L89E61-W65 PolarHBondContact O-N 3.13Å; T62-W65 HydrophobicContact CG2-CE3 4.32Å; T62-W65 WeakPolarHBondContact O-CB 3.49Å; T62-W65 PolarHBondContact O-N 2.87Å; G63-W65 VanDerWaalsContact C-N 3.29Å; G63-W65 PolarHBondContact O-N 3.47Å; W65-G69 WeakPolarHBondContact O-CA 3.33Å; W65-G69 PolarHBondContact O-N 2.96Å; W65-F72 HydrophobicContact CB-CD1 4.33Å; W65-F72 HydrophobicContact CB-CD2 3.99Å; W65-F72 HydrophobicContact CB-CE1 4.46Å; W65-F72 HydrophobicContact CB-CE2 4.12Å; W65-F72 HydrophobicContact CB-CG 4.09Å; W65-F72 HydrophobicContact CB-CZ 4.36Å; W65-F72 AromaticContact CD1-CD1 3.89Å; W65-L88 HydrophobicContact CB-CD2 3.72Å; W65-L88 HydrophobicContact CG-CD1 4.31Å; W65-L88 HydrophobicContact CG-CD2 4.13Å; W65-L89 HydrophobicContact CZ3-CD2 4.26Å
66L84Confident87.8Confident121 Ų12159 Ų5963%0.63434%0.336SS*.Hα-helixtrans-65.1-41.4176.3-70.6172.4000112.3T62 G63T62-L66 HydrophobicContact CG2-CD1 4.3Å; T62-L66 WeakPolarHBondContact O-CG 3.37Å; T62-L66 PolarHBondContact O-N 3.12Å; G63-L66 PolarHBondContact O-N 2.92Å
67L86Confident87.8Confident156 Ų15655.9 Ų55.982%0.81732%0.321SS*.Hα-helixtrans-74.2-41.3-178.7-69.6171000113.1G63 H64G63-L67 WeakPolarHBondContact O-CB 3.22Å; G63-L67 WeakPolarHBondContact O-CG 3.34Å; G63-L67 PolarHBondContact O-N 3.36Å; H64-L67 PolarHBondContact O-N 2.55Å
68Q84.5Confident88Confident88 Ų8862.4 Ų62.441%0.41135%0.349SS..Hα-helixtrans-88.7-14.4-176.2-65.8-175.8-23.900113.6H64 S70 G71 F72H64-Q68 VanDerWaalsContact O-CB 3.26Å; H64-Q68 WeakPolarHBondContact O-CB 3.48Å; H64-Q68 WeakPolarHBondContact O-CG 3.3Å; H64-Q68 PolarHBondContact O-N 3.31Å; Q68-S70 PolarHBondContact O-N 2.83Å; Q68-G71 PolarHBondContact O-N 3.14Å; Q68-F72 HydrophobicContact CB-CB 4.02Å
69G80.8Confident88.6Confident35 Ų3563.2 Ų63.236%0.36135%0.346SS..THydrogen-bonded Turntrans53.2-122.4179.600000112.8W65 G71 F72W65-G69 WeakPolarHBondContact O-CA 3.33Å; W65-G69 PolarHBondContact O-N 2.96Å; G69-G71 VanDerWaalsContact C-N 3.3Å; G69-G71 PolarHBondContact O-N 2.83Å; G69-F72 WeakPolarHBondContact O-CB 3.49Å; G69-F72 PolarHBondContact O-N 2.86Å
70S73Confident88.9Confident71 Ų7160.6 Ų60.650%0.49733%0.33SS..THydrogen-bonded Turntrans-63.2-33.3178.257.30000113.3Q68 F72 Q73Q68-S70 PolarHBondContact O-N 2.83Å; S70-F72 PolarHBondContact O-N 2.9Å; S70-Q73 PolarHBondContact O-N 3.23Å
71G84.4Confident89Confident33 Ų3362 Ų6234%0.3435%0.345SS..Hα-helixtrans-64-25.4-179.100000113.5Q68 G69 Q73 S74 S75Q68-G71 PolarHBondContact O-N 3.14Å; G69-G71 VanDerWaalsContact C-N 3.3Å; G69-G71 PolarHBondContact O-N 2.83Å; G71-Q73 VanDerWaalsContact C-N 3.3Å; G71-Q73 PolarHBondContact O-N 2.94Å; G71-S74 PolarHBondContact O-N 3.02Å; G71-S75 VanDerWaalsContact O-CB 3.28Å; G71-S75 WeakPolarHBondContact O-CB 3.44Å; G71-S75 PolarHBondContact O-N 3.47Å
72F89.9Confident89Confident0 Ų064.4 Ų64.40%036%0.358CS..Hα-helixtrans-54.6-47.5176.6-179.5-92.1000111.5E61 H64 W65 Q68 G69 S70 R76 L88E61-F72 HydrophobicContact CB-CE2 3.86Å; E61-F72 HydrophobicContact CB-CZ 3.82Å; H64-F72 HydrophobicContact CB-CD2 4.09Å; H64-F72 HydrophobicContact CB-CE2 3.95Å; W65-F72 HydrophobicContact CB-CD1 4.33Å; W65-F72 HydrophobicContact CB-CD2 3.99Å; W65-F72 HydrophobicContact CB-CE1 4.46Å; W65-F72 HydrophobicContact CB-CE2 4.12Å; W65-F72 HydrophobicContact CB-CG 4.09Å; W65-F72 HydrophobicContact CB-CZ 4.36Å; W65-F72 AromaticContact CD1-CD1 3.89Å; Q68-F72 HydrophobicContact CB-CB 4.02Å; G69-F72 WeakPolarHBondContact O-CB 3.49Å; G69-F72 PolarHBondContact O-N 2.86Å; S70-F72 PolarHBondContact O-N 2.9Å; F72-R76 WeakPolarHBondContact O-CD 3.4Å; F72-R76 PolarHBondContact O-N 3.08Å; F72-L88 HydrophobicContact CE1-CD1 4.44Å; F72-L88 HydrophobicContact CZ-CD2 4.23Å
73Q88.1Confident89.4Confident12 Ų1263.5 Ų63.56%0.05635%0.353CS..Hα-helixtrans-69.7-46.2-174.2-58.5-61-22.400111.4S70 G71 R76 R77S70-Q73 PolarHBondContact O-N 3.23Å; G71-Q73 VanDerWaalsContact C-N 3.3Å; G71-Q73 PolarHBondContact O-N 2.94Å; Q73-R76 PolarHBondContact O-N 3.22Å; Q73-R77 WeakPolarHBondContact O-CB 3.45Å; Q73-R77 PolarHBondContact O-N 3.35Å
74S88.4Confident89.8Confident51 Ų5161.9 Ų61.936%0.35734%0.335SS..Hα-helixtrans-61.9-45.1178.8-620000111.8G71 R76 R77 E78G71-S74 PolarHBondContact O-N 3.02Å; S74-R76 PolarHBondContact O-N 3.28Å; S74-R77 PolarHBondContact O-N 2.88Å; S74-R77 PolarHBondContact OG-NH2 3.1Å; S74-E78 WeakPolarHBondContact O-CB 3.36Å; S74-E78 PolarHBondContact O-N 3.44Å
75S92.7Very high90.2Very high48 Ų4859.9 Ų59.934%0.33633%0.325SS..Hα-helixtrans-57-44.7176.4151.60000112.8G71 K79G71-S75 VanDerWaalsContact O-CB 3.28Å; G71-S75 WeakPolarHBondContact O-CB 3.44Å; G71-S75 PolarHBondContact O-N 3.47Å; S75-K79 WeakPolarHBondContact O-CB 3.33Å; S75-K79 PolarHBondContact O-N 2.98Å
76R94.8Very high90.6Very high23 Ų2357.3 Ų57.39%0.08732%0.315CS..Hα-helixtrans-74-36.6-179.5-86.275.3-175.7161-13.2111.5E61 F72 Q73 S74 K79 Y80 F84E61-R76 IonicContact OE1-CZ 3.35Å; E61-R76 IonicContact OE1-NE 3.64Å; E61-R76 PolarHBondContact OE1-NE 3.17Å; E61-R76 VanDerWaalsContact OE1-NE 3.14Å; E61-R76 IonicContact OE1-NH2 3.21Å; E61-R76 PolarHBondContact OE1-NH2 3.11Å; F72-R76 WeakPolarHBondContact O-CD 3.4Å; F72-R76 PolarHBondContact O-N 3.08Å; Q73-R76 PolarHBondContact O-N 3.22Å; S74-R76 PolarHBondContact O-N 3.28Å; R76-K79 PolarHBondContact O-N 3.19Å; R76-Y80 HydrophobicContact CB-CD2 4.03Å; R76-Y80 HydrophobicContact CB-CE2 4.42Å; R76-Y80 HydrophobicContact CG-CD2 4.03Å; R76-Y80 HydrophobicContact CG-CE2 3.93Å; R76-Y80 WeakPolarHBondContact O-CB 3.45Å; R76-Y80 WeakPolarHBondContact O-CD2 3.45Å; R76-Y80 PolarHBondContact O-N 2.85Å; R76-F84 HydrophobicContact CB-CD1 4.36Å; R76-F84 HydrophobicContact CB-CD2 3.98Å; R76-F84 HydrophobicContact CB-CE1 3.92Å; R76-F84 HydrophobicContact CB-CE2 3.51Å; R76-F84 HydrophobicContact CB-CG 4.38Å; R76-F84 HydrophobicContact CB-CZ 3.46Å; R76-F84 VanDerWaalsContact CB-CZ 3.46Å; R76-F84 HydrophobicContact CG-CD2 4.38Å; R76-F84 HydrophobicContact CG-CE2 3.94Å; R76-F84 HydrophobicContact CG-CZ 4.32Å
77R92.8Very high91.1Very high48 Ų4851.7 Ų51.718%0.18129%0.286CS..Hα-helixtrans-63.2-44.4176-176.3-17962.5-118.5-0.9111.5Q73 S74 K79 G81Q73-R77 WeakPolarHBondContact O-CB 3.45Å; Q73-R77 PolarHBondContact O-N 3.35Å; S74-R77 PolarHBondContact O-N 2.88Å; S74-R77 PolarHBondContact OG-NH2 3.1Å; R77-K79 VanDerWaalsContact C-N 3.28Å; R77-K79 PolarHBondContact O-N 3.42Å; R77-G81 WeakPolarHBondContact CA-O 3.39Å; R77-G81 CarbonylContact O-C 3.55Å; R77-G81 WeakPolarHBondContact O-CA 3.39Å; R77-G81 PolarHBondContact O-N 2.87Å
78E93.3Very high91.3Very high175 Ų17544.9 Ų44.982%0.81825%0.25SC*.Hα-helixtrans-60.4-39.7176.1-173.2176.9-171.200111.7S74S74-E78 WeakPolarHBondContact O-CB 3.36Å; S74-E78 PolarHBondContact O-N 3.44Å
79K95.6Very high91.3Very high152 Ų15246.3 Ų46.366%0.66126%0.26SS*.Hα-helixtrans-78.8-37.2-179.1-170.9172.91781790114.6S75 R76 R77S75-K79 WeakPolarHBondContact O-CB 3.33Å; S75-K79 PolarHBondContact O-N 2.98Å; R76-K79 PolarHBondContact O-N 3.19Å; R77-K79 VanDerWaalsContact C-N 3.28Å; R77-K79 PolarHBondContact O-N 3.42Å
80Y96Very high91.5Very high50 Ų5047 Ų4720%0.19627%0.267CS..Hα-helixtrans-118.8-10.1-167.1-56.3-54.1000114.2K51 R76 F84K51-Y80 HydrophobicContact CB-CD1 4.02Å; K51-Y80 HydrophobicContact CB-CG 4.47Å; R76-Y80 HydrophobicContact CB-CD2 4.03Å; R76-Y80 HydrophobicContact CB-CE2 4.42Å; R76-Y80 HydrophobicContact CG-CD2 4.03Å; R76-Y80 HydrophobicContact CG-CE2 3.93Å; R76-Y80 WeakPolarHBondContact O-CB 3.45Å; R76-Y80 WeakPolarHBondContact O-CD2 3.45Å; R76-Y80 PolarHBondContact O-N 2.85Å; Y80-F84 HydrophobicContact CD2-CB 4.31Å; Y80-F84 HydrophobicContact CG-CB 4.31Å
81G94.7Very high92.1Very high33 Ų3350.5 Ų50.534%0.3427%0.269SS..  trans91.1-170.4-176.400000113.8R77 V83R77-G81 WeakPolarHBondContact CA-O 3.39Å; R77-G81 CarbonylContact O-C 3.55Å; R77-G81 WeakPolarHBondContact O-CA 3.39Å; R77-G81 PolarHBondContact O-N 2.87Å; G81-V83 VanDerWaalsContact C-N 3.26Å; G81-V83 PolarHBondContact O-N 3.39Å
82N95.5Very high92.5Very high58 Ų5850 Ų5031%0.3126%0.259SS..SBendtrans-70.3-18-174.9-73.8-39000114.6V96 T97N82-V96 WeakPolarHBondContact O-CA 3.4Å; N82-T97 WeakPolarHBondContact CA-OG1 3.43Å; N82-T97 WeakPolarHBondContact CB-OG1 3.26Å; N82-T97 PolarHBondContact O-N 3.49Å; N82-T97 PolarHBondContact O-OG1 3.33Å; N82-T97 PolarHBondContact OD1-OG1 2.74Å
83V97.4Very high92.7Very high1 Ų150.2 Ų50.21%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-127.4110.2-179.5-1770000108P50 G81 I94 R95 V96 L381 D382 F384 I386P50-V83 HydrophobicContact CB-CG1 4.11Å; P50-V83 HydrophobicContact CG-CG1 3.7Å; G81-V83 VanDerWaalsContact C-N 3.26Å; G81-V83 PolarHBondContact O-N 3.39Å; V83-I94 HydrophobicContact CG1-CG2 3.93Å; V83-R95 WeakPolarHBondContact CA-O 3.49Å; V83-V96 HydrophobicContact CG1-CG2 4.46Å; V83-V96 HydrophobicContact CG2-CG1 4.43Å; V83-L381 HydrophobicContact CG1-CB 4.24Å; V83-L381 HydrophobicContact CG2-CB 3.98Å; V83-D382 HydrophobicContact CB-CB 4.45Å; V83-D382 HydrophobicContact CG2-CB 3.94Å; V83-F384 HydrophobicContact CB-CD2 4.4Å; V83-F384 HydrophobicContact CG1-CD2 4.47Å; V83-I386 HydrophobicContact CG1-CD1 3.98Å
84F97.3Very high93.1Very high3 Ų349.7 Ų49.71%0.01326%0.258CS..EExtended strand (participates in β ladder)trans-142.2149.9-179.270.7-94.1000112.7K51 R76 Y80 T86 I94 R95K51-F84 CarbonylContact O-C 3.54Å; K51-F84 WeakPolarHBondContact O-CA 3.44Å; K51-F84 VanDerWaalsContact O-CB 3.3Å; K51-F84 WeakPolarHBondContact O-CB 3.4Å; R76-F84 HydrophobicContact CB-CD1 4.36Å; R76-F84 HydrophobicContact CB-CD2 3.98Å; R76-F84 HydrophobicContact CB-CE1 3.92Å; R76-F84 HydrophobicContact CB-CE2 3.51Å; R76-F84 HydrophobicContact CB-CG 4.38Å; R76-F84 HydrophobicContact CB-CZ 3.46Å; R76-F84 VanDerWaalsContact CB-CZ 3.46Å; R76-F84 HydrophobicContact CG-CD2 4.38Å; R76-F84 HydrophobicContact CG-CE2 3.94Å; R76-F84 HydrophobicContact CG-CZ 4.32Å; Y80-F84 HydrophobicContact CD2-CB 4.31Å; Y80-F84 HydrophobicContact CG-CB 4.31Å; F84-T86 HydrophobicContact CE2-CG2 4.44Å; F84-I94 CarbonylContact O-C 3.57Å; F84-I94 WeakPolarHBondContact O-CA 3.32Å; F84-R95 HydrophobicContact CD1-CB 3.98Å; F84-R95 HydrophobicContact CD2-CB 4.16Å; F84-R95 HydrophobicContact CE1-CB 3.51Å; F84-R95 HydrophobicContact CE1-CG 4.28Å; F84-R95 HydrophobicContact CE2-CB 3.7Å; F84-R95 HydrophobicContact CE2-CG 3.76Å; F84-R95 HydrophobicContact CG-CB 4.29Å; F84-R95 HydrophobicContact CZ-CB 3.36Å; F84-R95 HydrophobicContact CZ-CG 3.61Å; F84-R95 PolarHBondContact N-O 3.17Å; F84-R95 VanDerWaalsContact N-O 3.11Å; F84-R95 PolarHBondContact O-N 2.85Å
85K96.8Very high93.5Very high45 Ų4547.5 Ų47.520%0.19624%0.242CC..EExtended strand (participates in β ladder)trans-90.1144.6175.171.4-175.2169.378.90111.8I49 P50 K51 G52 S53 M54 L93 W390I49-K85 HydrophobicContact CG2-CD 3.76Å; P50-K85 HydrophobicContact CB-CB 4.49Å; P50-K85 WeakPolarHBondContact O-CD 3.24Å; P50-K85 WeakPolarHBondContact O-CE 3.49Å; P50-K85 WeakPolarHBondContact O-CG 3.42Å; K51-K85 PolarHBondContact O-N 2.83Å; G52-K85 CarbonylContact C-O 3.53Å; G52-K85 WeakPolarHBondContact CA-O 3.38Å; G52-K85 WeakPolarHBondContact O-CE 3.21Å; G52-K85 PolarHBondContact O-NZ 3.13Å; S53-K85 PolarHBondContact N-O 2.88Å; M54-K85 HydrophobicContact SD-CB 4.4Å; M54-K85 HydrophobicContact SD-CD 4.03Å; M54-K85 HydrophobicContact SD-CG 4.11Å; K85-L93 CarbonylContact C-O 3.56Å; K85-L93 WeakPolarHBondContact CA-O 3.08Å; K85-W390 HydrophobicContact CB-CZ3 4.02Å; K85-W390 HydrophobicContact CD-CH2 4.38Å
86T95.9Very high93.7Very high0 Ų045.2 Ų45.20%023%0.226CC..EExtended strand (participates in β ladder)trans-145.7178170.2-170.50000110.5S53 E61 F84 L88 L93 R95S53-T86 VanDerWaalsContact O-CA 3.28Å; S53-T86 WeakPolarHBondContact O-CA 3.42Å; E61-T86 WeakPolarHBondContact OE2-CB 3.31Å; E61-T86 PolarHBondContact OE2-OG1 3.15Å; F84-T86 HydrophobicContact CE2-CG2 4.44Å; T86-L88 HydrophobicContact CG2-CD1 4.02Å; T86-L88 HydrophobicContact CG2-CG 3.92Å; T86-L93 HydrophobicContact CG2-CB 4.06Å; T86-L93 HydrophobicContact CG2-CD2 4.21Å; T86-L93 HydrophobicContact CG2-CG 4.41Å; T86-L93 PolarHBondContact N-O 2.66Å; T86-L93 PolarHBondContact O-N 3.47Å; T86-L93 VanDerWaalsContact O-O 3.08Å; T86-R95 HydrophobicContact CG2-CG 4.19Å
87H94.5Very high93.8Very high3 Ų344.3 Ų44.31%0.01422%0.223CC..EExtended strand (participates in β ladder)trans-133.2111.7172.8-170.6-81.7000108.9W33 W37 M54 L58 G60 E61 R91W33-H87 AromaticContact CH2-CE1 3.81Å; W33-H87 AromaticContact CH2-NE2 3.5Å; W33-H87 AromaticContact CZ2-CD2 3.67Å; W33-H87 AromaticContact CZ2-CE1 3.8Å; W33-H87 AromaticContact CZ2-CG 3.9Å; W33-H87 AromaticContact CZ2-ND1 3.99Å; W33-H87 AromaticContact CZ2-NE2 3.62Å; W37-H87 AromaticContact CZ2-CD2 3.66Å; W37-H87 AromaticContact CZ2-NE2 3.57Å; M54-H87 HydrophobicContact CB-CB 4.49Å; M54-H87 HydrophobicContact CE-CB 3.91Å; M54-H87 WeakPolarHBondContact O-CB 3.27Å; L58-H87 PolarHBondContact O-CE1 3.41Å; L58-H87 VanDerWaalsContact O-CE1 3.28Å; G60-H87 CarbonylContact C-O 3.53Å; G60-H87 WeakPolarHBondContact CA-O 3.44Å; E61-H87 PolarHBondContact N-O 2.86Å; H87-R91 CarbonylContact C-O 3.5Å; H87-R91 VanDerWaalsContact CA-O 3.32Å; H87-R91 WeakPolarHBondContact CA-O 3.14Å; H87-R91 VanDerWaalsContact CD2-C 3.41Å; H87-R91 PolarHBondContact CD2-O 3.44Å; H87-R91 PolarHBondContact CE1-N 3.26Å
88L90.6Very high93.9Very high13 Ų1342.6 Ų42.67%0.06822%0.221CC..EExtended strand (participates in β ladder)trans-128.6140.4-175.5-63.4178.8000109.6E61 W65 F72 T86 G90 R91 L93E61-L88 HydrophobicContact CB-CD2 4.13Å; W65-L88 HydrophobicContact CB-CD2 3.72Å; W65-L88 HydrophobicContact CG-CD1 4.31Å; W65-L88 HydrophobicContact CG-CD2 4.13Å; F72-L88 HydrophobicContact CE1-CD1 4.44Å; F72-L88 HydrophobicContact CZ-CD2 4.23Å; T86-L88 HydrophobicContact CG2-CD1 4.02Å; T86-L88 HydrophobicContact CG2-CG 3.92Å; L88-G90 PolarHBondContact O-N 2.89Å; L88-G90 VanDerWaalsContact O-N 3.16Å; L88-R91 PolarHBondContact N-O 2.66Å; L88-R91 PolarHBondContact O-N 2.8Å; L88-L93 HydrophobicContact CD1-CD2 4Å
89L84.8Confident93.9Very high118 Ų11834.9 Ų34.962%0.61819%0.187SC*.THydrogen-bonded Turntrans51.840.3176-55.6173.4000113T62 W65 R91T62-L89 HydrophobicContact CG2-CD2 3.69Å; T62-L89 HydrophobicContact CG2-CG 4.42Å; T62-L89 PolarHBondContact OG1-N 2.97Å; W65-L89 HydrophobicContact CZ3-CD2 4.26Å; L89-R91 VanDerWaalsContact C-N 3.34Å; L89-R91 PolarHBondContact O-N 3.1Å
90G84.6Confident93.9Very high49 Ų4932.5 Ų32.551%0.50518%0.178SC..THydrogen-bonded Turntrans78.89.3178.100000115.4L88L88-G90 PolarHBondContact O-N 2.89Å; L88-G90 VanDerWaalsContact O-N 3.16Å
91R86.3Confident94Very high146 Ų14630.7 Ų30.755%0.55117%0.172SC*.EExtended strand (participates in β ladder)trans-130.1144.2-176.7-63.7-174.3178.3-146.3-8.7113.2H87 L88 L89 E116H87-R91 CarbonylContact C-O 3.5Å; H87-R91 VanDerWaalsContact CA-O 3.32Å; H87-R91 WeakPolarHBondContact CA-O 3.14Å; H87-R91 VanDerWaalsContact CD2-C 3.41Å; H87-R91 PolarHBondContact CD2-O 3.44Å; H87-R91 PolarHBondContact CE1-N 3.26Å; L88-R91 PolarHBondContact N-O 2.66Å; L88-R91 PolarHBondContact O-N 2.8Å; L89-R91 VanDerWaalsContact C-N 3.34Å; L89-R91 PolarHBondContact O-N 3.1Å; R91-E116 IonicContact CZ-OE1 3.24Å; R91-E116 IonicContact NH1-OE1 2.76Å; R91-E116 PolarHBondContact NH1-OE1 2.84Å
92P92.1Very high94.1Very high21 Ų2129.1 Ų29.114%0.13616%0.156CC..EExtended strand (participates in β ladder)trans-69.2134.6168.833.3-36.7000109.7W37 M54 W390W37-P92 HydrophobicContact CE3-CB 4.09Å; W37-P92 HydrophobicContact CE3-CG 4.32Å; W37-P92 HydrophobicContact CH2-CB 4.02Å; W37-P92 HydrophobicContact CH2-CG 3.72Å; W37-P92 HydrophobicContact CZ3-CB 3.78Å; W37-P92 HydrophobicContact CZ3-CG 3.54Å; M54-P92 HydrophobicContact CE-CB 3.81Å; P92-W390 HydrophobicContact CB-CD2 3.97Å; P92-W390 HydrophobicContact CB-CE3 3.74Å; P92-W390 HydrophobicContact CB-CH2 4.1Å; P92-W390 HydrophobicContact CB-CZ2 4.28Å; P92-W390 HydrophobicContact CB-CZ3 3.81Å; P92-W390 HydrophobicContact CG-CD2 4.39Å
93L94.4Very high94.1Very high6 Ų629.4 Ų29.43%0.03115%0.152CC..EExtended strand (participates in β ladder)trans-138.3136.2-174.8-177.967.3000110.6K85 T86 L88 R95 Y372 S391 M393K85-L93 CarbonylContact C-O 3.56Å; K85-L93 WeakPolarHBondContact CA-O 3.08Å; T86-L93 HydrophobicContact CG2-CB 4.06Å; T86-L93 HydrophobicContact CG2-CD2 4.21Å; T86-L93 HydrophobicContact CG2-CG 4.41Å; T86-L93 PolarHBondContact N-O 2.66Å; T86-L93 PolarHBondContact O-N 3.47Å; T86-L93 VanDerWaalsContact O-O 3.08Å; L88-L93 HydrophobicContact CD1-CD2 4Å; L93-R95 HydrophobicContact CD2-CG 4.31Å; L93-Y372 HydrophobicContact CD1-CD1 4.07Å; L93-Y372 HydrophobicContact CD1-CE1 4.08Å; L93-Y372 HydrophobicContact CD2-CE1 4.17Å; L93-S391 CarbonylContact C-O 3.59Å; L93-S391 WeakPolarHBondContact CA-O 3.48Å; L93-M393 HydrophobicContact CD1-CB 3.77Å; L93-M393 HydrophobicContact CD2-CB 4.12Å; L93-M393 HydrophobicContact CD2-SD 4.41Å; L93-M393 HydrophobicContact CG-CB 4.3Å
94I97.2Very high94.2Very high0 Ų032.9 Ų32.90%017%0.167CC..EExtended strand (participates in β ladder)trans-103.4121.5166.8-57.6172.2000108.4P50 V83 F84 V96 I386 W390 S391 V392 M393P50-I94 HydrophobicContact CG-CD1 4.28Å; P50-I94 HydrophobicContact CG-CG2 4.15Å; V83-I94 HydrophobicContact CG1-CG2 3.93Å; F84-I94 CarbonylContact O-C 3.57Å; F84-I94 WeakPolarHBondContact O-CA 3.32Å; I94-V96 HydrophobicContact CG2-CG2 3.91Å; I94-I386 HydrophobicContact CD1-CB 4.28Å; I94-I386 HydrophobicContact CD1-CD1 3.87Å; I94-I386 HydrophobicContact CD1-CG2 3.66Å; I94-I386 HydrophobicContact CG2-CD1 4.14Å; I94-W390 HydrophobicContact CD1-CE3 3.96Å; I94-W390 HydrophobicContact CG1-CE3 3.71Å; I94-W390 HydrophobicContact CG1-CZ3 4.13Å; I94-S391 PolarHBondContact N-O 2.96Å; I94-V392 HydrophobicContact CB-CG2 4.16Å; I94-V392 CarbonylContact O-C 3.6Å; I94-V392 VanDerWaalsContact O-CA 3.29Å; I94-V392 WeakPolarHBondContact O-CA 3.32Å; I94-M393 PolarHBondContact O-N 3.39Å
95R96.4Very high94.2Very high5 Ų532.8 Ų32.82%0.01917%0.167CC..EExtended strand (participates in β ladder)trans-88.1133.7173-72.9-68.2-66.8146.5-8.1109.2V83 F84 T86 L93 M393 S395 D398V83-R95 WeakPolarHBondContact CA-O 3.49Å; F84-R95 HydrophobicContact CD1-CB 3.98Å; F84-R95 HydrophobicContact CD2-CB 4.16Å; F84-R95 HydrophobicContact CE1-CB 3.51Å; F84-R95 HydrophobicContact CE1-CG 4.28Å; F84-R95 HydrophobicContact CE2-CB 3.7Å; F84-R95 HydrophobicContact CE2-CG 3.76Å; F84-R95 HydrophobicContact CG-CB 4.29Å; F84-R95 HydrophobicContact CZ-CB 3.36Å; F84-R95 HydrophobicContact CZ-CG 3.61Å; F84-R95 PolarHBondContact N-O 3.17Å; F84-R95 VanDerWaalsContact N-O 3.11Å; F84-R95 PolarHBondContact O-N 2.85Å; T86-R95 HydrophobicContact CG2-CG 4.19Å; L93-R95 HydrophobicContact CD2-CG 4.31Å; R95-M393 PolarHBondContact NH1-O 3.44Å; R95-M393 PolarHBondContact NH1-SD 3.24Å; R95-S395 PolarHBondContact NH2-OG 3.3Å; R95-D398 IonicContact NH2-OD2 3.57Å; R95-D398 PolarHBondContact NH2-OD2 2.88Å
96V97.4Very high94.2Very high0 Ų030.7 Ų30.70%016%0.158CC..EExtended strand (participates in β ladder)trans-133.9128-174.5-178.70000110.9N82 V83 I94 N101 V102 I105 L381 V392 M393 Y394 S395N82-V96 WeakPolarHBondContact O-CA 3.4Å; V83-V96 HydrophobicContact CG1-CG2 4.46Å; V83-V96 HydrophobicContact CG2-CG1 4.43Å; I94-V96 HydrophobicContact CG2-CG2 3.91Å; V96-N101 HydrophobicContact CG1-CB 3.46Å; V96-N101 VanDerWaalsContact CG1-CB 3.46Å; V96-V102 HydrophobicContact CG1-CG2 4.45Å; V96-I105 HydrophobicContact CB-CD1 3.75Å; V96-I105 HydrophobicContact CG1-CD1 3.55Å; V96-I105 HydrophobicContact CG2-CD1 3.89Å; V96-L381 HydrophobicContact CG1-CD1 4.07Å; V96-L381 HydrophobicContact CG2-CD1 3.81Å; V96-V392 HydrophobicContact CB-CG1 4.36Å; V96-V392 HydrophobicContact CG2-CG1 3.71Å; V96-M393 PolarHBondContact N-O 3.36Å; V96-M393 VanDerWaalsContact N-O 3.1Å; V96-Y394 CarbonylContact O-C 3.52Å; V96-Y394 WeakPolarHBondContact O-CA 3.19Å; V96-S395 PolarHBondContact O-N 2.63Å
97T96Very high94.3Very high4 Ų435.6 Ų35.63%0.02518%0.182CC..  trans-129.9168.1173.759.70000110.5N82 N101 D398N82-T97 WeakPolarHBondContact CA-OG1 3.43Å; N82-T97 WeakPolarHBondContact CB-OG1 3.26Å; N82-T97 PolarHBondContact O-N 3.49Å; N82-T97 PolarHBondContact O-OG1 3.33Å; N82-T97 PolarHBondContact OD1-OG1 2.74Å; T97-N101 PolarHBondContact O-ND2 3.44Å; T97-D398 HydrophobicContact CG2-CB 3.63Å
98G94.8Very high94.4Very high13 Ų1335.8 Ų35.813%0.13418%0.184CC..SBendtrans94.5139.517700000112.7E100 N101 V102 T399G98-E100 PolarHBondContact O-N 3.18Å; G98-N101 PolarHBondContact O-N 2.96Å; G98-V102 WeakPolarHBondContact O-CB 3.37Å; G98-V102 WeakPolarHBondContact O-CG2 3.37Å; G98-V102 PolarHBondContact O-N 3.04Å; G98-T399 PolarHBondContact N-OG1 3.05Å
99A94.6Very high94.8Very high12 Ų1235.6 Ų35.610%0.09918%0.183CC..Hα-helixtrans-55.8-47.4-167.600000113.1R103 T399 F429A99-R103 WeakPolarHBondContact O-CB 2.83Å; A99-R103 PolarHBondContact O-N 2.85Å; A99-T399 HydrophobicContact CB-CG2 4.43Å; A99-F429 HydrophobicContact CB-CB 4.11Å
100E94.9Very high95.3Very high102 Ų10231.7 Ų31.748%0.47716%0.162SC..Hα-helixtrans-70.3-40.8-177-174.253.6-15100112.7G98 R103 K104G98-E100 PolarHBondContact O-N 3.18Å; E100-R103 WeakPolarHBondContact O-CB 3.47Å; E100-R103 PolarHBondContact O-N 3.04Å; E100-R103 IonicContact OE1-CZ 3.45Å; E100-R103 IonicContact OE1-NE 2.83Å; E100-R103 PolarHBondContact OE1-NE 3.41Å; E100-R103 IonicContact OE1-NH2 3.73Å; E100-R103 PolarHBondContact OE1-NH2 3.12Å; E100-R103 IonicContact OE2-CZ 2.8Å; E100-R103 IonicContact OE2-NE 3.3Å; E100-R103 PolarHBondContact OE2-NE 3.43Å; E100-R103 IonicContact OE2-NH2 3.15Å; E100-K104 PolarHBondContact O-N 2.97Å
101N96.9Very high95.9Very high12 Ų1235.2 Ų35.26%0.06417%0.165CC..Hα-helixtrans-64.4-47.1177-69.2-40.3000111.8V96 T97 G98 R103 K104 I105 L381 D382V96-N101 HydrophobicContact CG1-CB 3.46Å; V96-N101 VanDerWaalsContact CG1-CB 3.46Å; T97-N101 PolarHBondContact O-ND2 3.44Å; G98-N101 PolarHBondContact O-N 2.96Å; N101-R103 VanDerWaalsContact C-N 3.32Å; N101-R103 PolarHBondContact O-N 2.9Å; N101-K104 PolarHBondContact O-N 3.1Å; N101-I105 WeakPolarHBondContact O-CG1 3.4Å; N101-I105 PolarHBondContact O-N 2.94Å; N101-I105 VanDerWaalsContact O-N 3.14Å; N101-L381 HydrophobicContact CB-CD2 4.09Å; N101-D382 PolarHBondContact ND2-OD1 2.97Å; N101-D382 PolarHBondContact ND2-OD2 3.42Å; N101-D382 PolarHBondContact OD1-OD1 2.98Å; N101-D382 VanDerWaalsContact OD1-OD1 3.12Å
102V97.6Very high96.4Very high0 Ų029.7 Ų29.70%015%0.146CC..Hα-helixtrans-65.7-38.1177.8176.90000110.7V96 G98 I105 L106 Y394 T399 L432V96-V102 HydrophobicContact CG1-CG2 4.45Å; G98-V102 WeakPolarHBondContact O-CB 3.37Å; G98-V102 WeakPolarHBondContact O-CG2 3.37Å; G98-V102 PolarHBondContact O-N 3.04Å; V102-I105 PolarHBondContact O-N 3.46Å; V102-L106 HydrophobicContact CG1-CD1 3.56Å; V102-L106 HydrophobicContact CG1-CG 4.12Å; V102-L106 WeakPolarHBondContact O-CB 3.48Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.47Å; V102-L106 PolarHBondContact O-N 2.89Å; V102-Y394 HydrophobicContact CG1-CD2 3.92Å; V102-Y394 HydrophobicContact CG1-CG 4.34Å; V102-T399 WeakPolarHBondContact CG2-OG1 3.43Å; V102-L432 HydrophobicContact CB-CD1 4.49Å; V102-L432 HydrophobicContact CG1-CD1 3.67Å
103R96.5Very high96.7Very high64 Ų6428.7 Ų28.724%0.24214%0.14CC..Hα-helixtrans-57.3-49.7172.2-175.3-175.783.684.11.4111.5A99 E100 N101 I105 L106 M107 F429A99-R103 WeakPolarHBondContact O-CB 2.83Å; A99-R103 PolarHBondContact O-N 2.85Å; E100-R103 WeakPolarHBondContact O-CB 3.47Å; E100-R103 PolarHBondContact O-N 3.04Å; E100-R103 IonicContact OE1-CZ 3.45Å; E100-R103 IonicContact OE1-NE 2.83Å; E100-R103 PolarHBondContact OE1-NE 3.41Å; E100-R103 IonicContact OE1-NH2 3.73Å; E100-R103 PolarHBondContact OE1-NH2 3.12Å; E100-R103 IonicContact OE2-CZ 2.8Å; E100-R103 IonicContact OE2-NE 3.3Å; E100-R103 PolarHBondContact OE2-NE 3.43Å; E100-R103 IonicContact OE2-NH2 3.15Å; N101-R103 VanDerWaalsContact C-N 3.32Å; N101-R103 PolarHBondContact O-N 2.9Å; R103-I105 VanDerWaalsContact C-N 3.32Å; R103-I105 PolarHBondContact O-N 3.04Å; R103-L106 PolarHBondContact O-N 3.18Å; R103-M107 HydrophobicContact CG-CG 4.07Å; R103-M107 VanDerWaalsContact O-CB 3.3Å; R103-M107 WeakPolarHBondContact O-CB 3.36Å; R103-M107 VanDerWaalsContact O-CG 3.26Å; R103-M107 WeakPolarHBondContact O-CG 3.48Å; R103-M107 PolarHBondContact O-N 2.7Å; R103-F429 HydrophobicContact CB-CB 4.21Å; R103-F429 HydrophobicContact CB-CD1 3.76Å; R103-F429 HydrophobicContact CB-CD2 4.01Å; R103-F429 HydrophobicContact CB-CE1 4.13Å; R103-F429 HydrophobicContact CB-CE2 4.36Å; R103-F429 HydrophobicContact CB-CG 3.73Å; R103-F429 HydrophobicContact CB-CZ 4.42Å; R103-F429 HydrophobicContact CG-CD1 4.19Å; R103-F429 HydrophobicContact CG-CD2 3.73Å; R103-F429 HydrophobicContact CG-CE1 4.21Å; R103-F429 HydrophobicContact CG-CE2 3.74Å; R103-F429 HydrophobicContact CG-CG 3.99Å; R103-F429 HydrophobicContact CG-CZ 4.01Å
104K97.8Very high96.8Very high75 Ų7529.2 Ų29.233%0.32614%0.144SC..Hα-helixtrans-59.8-42.1-179.4-172.1169.8-176177.30112E100 N101 G108 L112 F379 E380 L381E100-K104 PolarHBondContact O-N 2.97Å; N101-K104 PolarHBondContact O-N 3.1Å; K104-G108 PolarHBondContact O-N 3.17Å; K104-L112 HydrophobicContact CG-CD1 4.31Å; K104-F379 HydrophobicContact CD-CD2 4.43Å; K104-E380 VanDerWaalsContact CE-O 3.31Å; K104-E380 WeakPolarHBondContact CE-O 3.34Å; K104-E380 PolarHBondContact NZ-O 3.4Å; K104-L381 HydrophobicContact CB-CD2 4.12Å; K104-L381 HydrophobicContact CD-CD2 3.87Å; K104-L381 HydrophobicContact CG-CD2 4.32Å
105I98.1Very high96.7Very high0 Ų030.3 Ų30.30%015%0.15CC..Hα-helixtrans-63.4-51.9175.7-67.6164000110.9V96 N101 V102 R103 M107 G108 E109 V113 R373 F379 L381 V392 Y394V96-I105 HydrophobicContact CB-CD1 3.75Å; V96-I105 HydrophobicContact CG1-CD1 3.55Å; V96-I105 HydrophobicContact CG2-CD1 3.89Å; N101-I105 WeakPolarHBondContact O-CG1 3.4Å; N101-I105 PolarHBondContact O-N 2.94Å; N101-I105 VanDerWaalsContact O-N 3.14Å; V102-I105 PolarHBondContact O-N 3.46Å; R103-I105 VanDerWaalsContact C-N 3.32Å; R103-I105 PolarHBondContact O-N 3.04Å; I105-M107 PolarHBondContact O-N 3.18Å; I105-G108 PolarHBondContact O-N 3.37Å; I105-G108 VanDerWaalsContact O-N 3.13Å; I105-E109 PolarHBondContact O-N 2.86Å; I105-V113 HydrophobicContact CG2-CG2 4.12Å; I105-V113 VanDerWaalsContact O-CG2 3.24Å; I105-V113 WeakPolarHBondContact O-CG2 3.4Å; I105-R373 HydrophobicContact CG2-CG 4.06Å; I105-F379 HydrophobicContact CG1-CE2 4.39Å; I105-F379 HydrophobicContact CG1-CZ 4.22Å; I105-L381 HydrophobicContact CD1-CD1 3.93Å; I105-L381 HydrophobicContact CG1-CD1 4.15Å; I105-V392 HydrophobicContact CD1-CG1 3.57Å; I105-V392 HydrophobicContact CG1-CG1 4.39Å; I105-Y394 HydrophobicContact CG2-CD1 4.02Å
106L97.7Very high96.4Very high2 Ų231.4 Ų31.41%0.0116%0.156CC..Hα-helixtrans-68.5-36.6-173.7-70.5176.2000112.8V102 R103 G108 Y394 F429 L432V102-L106 HydrophobicContact CG1-CD1 3.56Å; V102-L106 HydrophobicContact CG1-CG 4.12Å; V102-L106 WeakPolarHBondContact O-CB 3.48Å; V102-L106 VanDerWaalsContact O-CG 3.28Å; V102-L106 WeakPolarHBondContact O-CG 3.47Å; V102-L106 PolarHBondContact O-N 2.89Å; R103-L106 PolarHBondContact O-N 3.18Å; L106-G108 VanDerWaalsContact C-N 3.29Å; L106-Y394 HydrophobicContact CD1-CE2 4.37Å; L106-Y394 HydrophobicContact CD2-CD1 4.32Å; L106-Y394 HydrophobicContact CD2-CD2 4.42Å; L106-Y394 HydrophobicContact CD2-CE1 3.76Å; L106-Y394 HydrophobicContact CD2-CE2 3.88Å; L106-Y394 HydrophobicContact CG-CE2 4.48Å; L106-F429 HydrophobicContact CB-CE1 4.14Å; L106-F429 HydrophobicContact CD1-CD1 4.29Å; L106-F429 HydrophobicContact CD1-CE1 3.8Å; L106-L432 HydrophobicContact CD1-CD1 4.2Å
107M97.4Very high96Very high103 Ų10334.9 Ų34.951%0.50717%0.169SC..Hα-helixtrans-74.6-21.6173.4-65-56-17400112.6R103 I105 E109 F429 G437R103-M107 HydrophobicContact CG-CG 4.07Å; R103-M107 VanDerWaalsContact O-CB 3.3Å; R103-M107 WeakPolarHBondContact O-CB 3.36Å; R103-M107 VanDerWaalsContact O-CG 3.26Å; R103-M107 WeakPolarHBondContact O-CG 3.48Å; R103-M107 PolarHBondContact O-N 2.7Å; I105-M107 PolarHBondContact O-N 3.18Å; M107-E109 VanDerWaalsContact C-N 3.32Å; M107-E109 PolarHBondContact O-N 3.03Å; M107-F429 HydrophobicContact CE-CE2 3.55Å; M107-F429 HydrophobicContact CE-CZ 3.41Å; M107-F429 VanDerWaalsContact CE-CZ 3.41Å; M107-F429 HydrophobicContact SD-CZ 4.46Å; M107-G437 VanDerWaalsContact SD-CA 3.54Å
108G97.4Very high95.7Very high6 Ų637.4 Ų37.46%0.06219%0.186CC..THydrogen-bonded Turntrans-82.52.2177.500000115.3K104 I105 L106 H110 H111 L112 V113K104-G108 PolarHBondContact O-N 3.17Å; I105-G108 PolarHBondContact O-N 3.37Å; I105-G108 VanDerWaalsContact O-N 3.13Å; L106-G108 VanDerWaalsContact C-N 3.29Å; G108-H110 PolarHBondContact O-N 3.14Å; G108-H111 CarbonylContact O-C 3.54Å; G108-H111 PolarHBondContact O-N 3.08Å; G108-L112 PolarHBondContact O-N 2.97Å; G108-V113 PolarHBondContact O-N 3.01Å; G108-V113 VanDerWaalsContact O-N 3.12Å
109E97.7Very high95.6Very high10 Ų1044 Ų445%0.04721%0.206CC..BIsolated β-bridgetrans-59.2137.6-180-179.480-173.500111.9I105 M107 H111 V113 T115 R373 V438 R439I105-E109 PolarHBondContact O-N 2.86Å; M107-E109 VanDerWaalsContact C-N 3.32Å; M107-E109 PolarHBondContact O-N 3.03Å; E109-H111 PolarHBondContact O-N 3.39Å; E109-V113 CarbonylContact C-O 3.54Å; E109-V113 WeakPolarHBondContact CA-O 3.18Å; E109-T115 WeakPolarHBondContact OE1-CB 3.26Å; E109-T115 PolarHBondContact OE1-N 2.99Å; E109-T115 PolarHBondContact OE1-OG1 3.25Å; E109-T115 PolarHBondContact OE2-N 3.46Å; E109-R373 VanDerWaalsContact OE2-CD 3.24Å; E109-R373 WeakPolarHBondContact OE2-CD 3.35Å; E109-R373 IonicContact OE2-CZ 3.31Å; E109-R373 IonicContact OE2-NE 3.23Å; E109-R373 PolarHBondContact OE2-NE 3.18Å; E109-R373 IonicContact OE2-NH2 3.56Å; E109-V438 HydrophobicContact CB-CG2 3.65Å; E109-V438 HydrophobicContact CG-CG2 3.6Å; E109-R439 HydrophobicContact CB-CG 4.48Å; E109-R439 HydrophobicContact CG-CG 3.61Å; E109-R439 IonicContact OE1-CZ 3.34Å; E109-R439 IonicContact OE1-NE 2.67Å; E109-R439 PolarHBondContact OE1-NE 3.28Å; E109-R439 IonicContact OE1-NH2 2.6Å; E109-R439 PolarHBondContact OE1-NH2 3.33Å; E109-R439 VanDerWaalsContact OE1-NH2 3.12Å
110H96Very high95.5Very high36 Ų3643.5 Ų43.517%0.16720%0.202CC..THydrogen-bonded Turntrans71.8-3-171.9-47.9-54.9000115.3G108 V113 G135 H138 R439G108-H110 PolarHBondContact O-N 3.14Å; H110-V113 PolarHBondContact N-O 3.44Å; H110-G135 PolarHBondContact CE1-N 3.02Å; H110-G135 VanDerWaalsContact CE1-N 3.26Å; H110-G135 PolarHBondContact ND1-N 2.99Å; H110-H138 AromaticContact CE1-CG 3.89Å; H110-H138 AromaticContact CE1-ND1 3.64Å; H110-H138 AromaticContact NE2-CE1 3.75Å; H110-H138 AromaticContact NE2-CG 3.77Å; H110-H138 AromaticContact NE2-ND1 3.07Å; H110-H138 PolarHBondContact NE2-ND1 3.45Å; H110-R439 PolarHBondContact CE1-NH2 3.29Å
111H95.9Very high95.4Very high122 Ų12238.7 Ų38.757%0.56518%0.18SC*.THydrogen-bonded Turntrans-126.5-62.3177.8-175.7-1.9000113.1G108 E109 Q377G108-H111 CarbonylContact O-C 3.54Å; G108-H111 PolarHBondContact O-N 3.08Å; E109-H111 PolarHBondContact O-N 3.39Å; H111-Q377 PolarHBondContact CE1-NE2 2.96Å; H111-Q377 PolarHBondContact CE1-OE1 2.74Å; H111-Q377 PolarHBondContact ND1-NE2 3.12Å
112L97.6Very high95.2Very high31 Ų3143.5 Ų43.516%0.16220%0.197CC..THydrogen-bonded Turntrans-80.9-38.4175.8-66169.9000110.9K104 G108 L376 Q377 F379K104-L112 HydrophobicContact CG-CD1 4.31Å; G108-L112 PolarHBondContact O-N 2.97Å; L112-L376 PolarHBondContact O-N 2.92Å; L112-Q377 HydrophobicContact CD2-CG 3.97Å; L112-F379 HydrophobicContact CB-CD1 4.25Å; L112-F379 HydrophobicContact CB-CE1 4.4Å; L112-F379 HydrophobicContact CD2-CB 3.7Å; L112-F379 HydrophobicContact CD2-CD1 4.22Å; L112-F379 HydrophobicContact CD2-CG 4Å
113V98.1Very high95Very high0 Ų047.8 Ų47.80%022%0.218CC..EExtended strand (participates in β ladder)trans-141.1159.8-173.3-63.40000111.7I105 G108 E109 H110 R373 T374 F379I105-V113 HydrophobicContact CG2-CG2 4.12Å; I105-V113 VanDerWaalsContact O-CG2 3.24Å; I105-V113 WeakPolarHBondContact O-CG2 3.4Å; G108-V113 PolarHBondContact O-N 3.01Å; G108-V113 VanDerWaalsContact O-N 3.12Å; E109-V113 CarbonylContact C-O 3.54Å; E109-V113 WeakPolarHBondContact CA-O 3.18Å; H110-V113 PolarHBondContact N-O 3.44Å; V113-R373 HydrophobicContact CB-CB 3.97Å; V113-R373 HydrophobicContact CB-CG 4.29Å; V113-R373 HydrophobicContact CG1-CB 4.34Å; V113-R373 HydrophobicContact CG2-CB 4.37Å; V113-R373 HydrophobicContact CG2-CG 4.13Å; V113-T374 CarbonylContact C-O 3.52Å; V113-T374 VanDerWaalsContact CA-O 3.27Å; V113-T374 WeakPolarHBondContact CA-O 3.26Å; V113-F379 HydrophobicContact CG1-CE1 3.82Å; V113-F379 HydrophobicContact CG1-CZ 4.05Å
114S97.3Very high95Very high17 Ų1744.8 Ų44.812%0.11921%0.207CC..EExtended strand (participates in β ladder)trans-130.1141.1170.2178.30000110.2E116 R373 T374S114-E116 PolarHBondContact O-N 2.92Å; S114-R373 VanDerWaalsContact C-CD 3.49Å; S114-R373 CarbonylContact O-C 3.57Å; S114-R373 VanDerWaalsContact O-CA 3.25Å; S114-R373 WeakPolarHBondContact O-CA 3.44Å; S114-R373 WeakPolarHBondContact O-CD 3.33Å; S114-T374 PolarHBondContact N-O 3.12Å; S114-T374 PolarHBondContact O-N 3.27Å
115T94.7Very high94.8Very high22 Ų2241.3 Ų41.314%0.13519%0.192CC..EExtended strand (participates in β ladder)trans-44.7129.1168.8-65.60000111.8E109 W117 R439E109-T115 WeakPolarHBondContact OE1-CB 3.26Å; E109-T115 PolarHBondContact OE1-N 2.99Å; E109-T115 PolarHBondContact OE1-OG1 3.25Å; E109-T115 PolarHBondContact OE2-N 3.46Å; T115-W117 HydrophobicContact CG2-CG 4.37Å; T115-R439 PolarHBondContact OG1-NE 3.48Å
116E88.9Confident94.6Very high29 Ų2941.3 Ų41.314%0.13619%0.192CC..  trans-116.1110.7176-173.1178.2167.100109.4R91 S114 Y372 T374 S391R91-E116 IonicContact CZ-OE1 3.24Å; R91-E116 IonicContact NH1-OE1 2.76Å; R91-E116 PolarHBondContact NH1-OE1 2.84Å; S114-E116 PolarHBondContact O-N 2.92Å; E116-Y372 PolarHBondContact N-O 3.06Å; E116-Y372 VanDerWaalsContact N-O 3.11Å; E116-T374 VanDerWaalsContact CD-OG1 3.32Å; E116-T374 PolarHBondContact OE2-OG1 3.44Å; E116-S391 PolarHBondContact OE1-OG 2.73Å; E116-S391 PolarHBondContact OE2-OG 3.1Å
117W90.1Very high94.3Very high72 Ų7245.4 Ų45.427%0.27322%0.219SC..  trans-104145.2169.8-75.3109.9000110.6T115 T121 R122 S131 F222T115-W117 HydrophobicContact CG2-CG 4.37Å; W117-T121 HydrophobicContact CB-CG2 4.48Å; W117-T121 HydrophobicContact CD2-CG2 4.02Å; W117-T121 HydrophobicContact CE3-CG2 3.46Å; W117-T121 VanDerWaalsContact CE3-CG2 3.46Å; W117-T121 HydrophobicContact CG-CG2 4.47Å; W117-T121 HydrophobicContact CZ3-CG2 3.97Å; W117-R122 HydrophobicContact CB-CG 3.57Å; W117-R122 PolarHBondContact O-NH1 3.36Å; W117-S131 PolarHBondContact NE1-O 3.43Å; W117-F222 HydrophobicContact CE3-CE1 4.3Å; W117-F222 AromaticContact CZ3-CE1 3.97Å; W117-F222 HydrophobicContact CZ3-CE1 3.97Å; W117-F222 AromaticContact CZ3-CZ 3.95Å; W117-F222 HydrophobicContact CZ3-CZ 3.95Å
118P90.2Very high94.2Very high58 Ų5842.7 Ų42.738%0.37721%0.206SC..  trans-54.9149.9168.7-26.236.8000112S120 T121 R122 F222P118-S120 VanDerWaalsContact C-N 3.27Å; P118-S120 PolarHBondContact O-N 3.22Å; P118-T121 WeakPolarHBondContact O-CB 3.37Å; P118-T121 PolarHBondContact O-N 3.49Å; P118-T121 VanDerWaalsContact O-N 3.14Å; P118-R122 PolarHBondContact O-N 3.24Å; P118-F222 HydrophobicContact CG-CD1 4.17Å
119R91.4Very high94.1Very high151 Ų15142.4 Ų42.457%0.5720%0.203SC*.Hα-helixtrans-57.5-42-178.5-178.2-179.1179.2-168.41.4111.9R122 M123 P225R119-R122 PolarHBondContact O-N 2.88Å; R119-M123 HydrophobicContact CG-CG 4.28Å; R119-M123 WeakPolarHBondContact O-CG 3.36Å; R119-M123 PolarHBondContact O-N 2.87Å; R119-P225 HydrophobicContact CB-CB 4.1Å; R119-P225 HydrophobicContact CB-CG 4.22Å; R119-P225 HydrophobicContact CG-CB 4.19Å
120S92.8Very high94Very high2 Ų242.4 Ų42.41%0.01420%0.204CC..Hα-helixtrans-57.3-48.6176.441.60000111.3P118 R122 M123 L124 V221 S223P118-S120 VanDerWaalsContact C-N 3.27Å; P118-S120 PolarHBondContact O-N 3.22Å; S120-R122 PolarHBondContact O-N 3.35Å; S120-M123 PolarHBondContact O-N 3.49Å; S120-L124 VanDerWaalsContact O-CB 3.29Å; S120-L124 WeakPolarHBondContact O-CB 3.33Å; S120-L124 WeakPolarHBondContact O-CG 3.47Å; S120-L124 PolarHBondContact O-N 3.05Å; S120-V221 CarbonylContact C-O 3.52Å; S120-V221 PolarHBondContact OG-O 3.02Å; S120-S223 WeakPolarHBondContact CB-O 3.23Å; S120-S223 PolarHBondContact OG-O 2.78Å
121T92.6Very high94Very high0 Ų041.8 Ų41.80%020%0.204CC..Hα-helixtrans-59.8-46.5177.5-49.80000112.3W117 P118 M123 L124 L125 V221W117-T121 HydrophobicContact CB-CG2 4.48Å; W117-T121 HydrophobicContact CD2-CG2 4.02Å; W117-T121 HydrophobicContact CE3-CG2 3.46Å; W117-T121 VanDerWaalsContact CE3-CG2 3.46Å; W117-T121 HydrophobicContact CG-CG2 4.47Å; W117-T121 HydrophobicContact CZ3-CG2 3.97Å; P118-T121 WeakPolarHBondContact O-CB 3.37Å; P118-T121 PolarHBondContact O-N 3.49Å; P118-T121 VanDerWaalsContact O-N 3.14Å; T121-M123 VanDerWaalsContact C-N 3.31Å; T121-M123 PolarHBondContact O-N 2.87Å; T121-L124 PolarHBondContact O-N 3.26Å; T121-L125 HydrophobicContact CG2-CD1 3.7Å; T121-L125 HydrophobicContact CG2-CG 4.24Å; T121-L125 WeakPolarHBondContact O-CB 3.3Å; T121-L125 WeakPolarHBondContact O-CG 3.42Å; T121-L125 PolarHBondContact O-N 3.46Å; T121-V221 VanDerWaalsContact CA-O 3.26Å; T121-V221 WeakPolarHBondContact CA-O 3.38Å; T121-V221 HydrophobicContact CG2-CG1 3.51Å; T121-V221 PolarHBondContact N-O 2.89Å; T121-V221 PolarHBondContact OG1-O 3.13Å
122R93.6Very high93.9Very high114 Ų11437.4 Ų37.443%0.4318%0.184SC..Hα-helixtrans-59.9-43.2178.1-64.4-166.1-58.6-111.710112.1W117 P118 R119 S120 G126 N132W117-R122 HydrophobicContact CB-CG 3.57Å; W117-R122 PolarHBondContact O-NH1 3.36Å; P118-R122 PolarHBondContact O-N 3.24Å; R119-R122 PolarHBondContact O-N 2.88Å; S120-R122 PolarHBondContact O-N 3.35Å; R122-G126 PolarHBondContact O-N 3.24Å; R122-G126 VanDerWaalsContact O-N 3.11Å; R122-N132 WeakPolarHBondContact CG-OD1 3.31Å; R122-N132 PolarHBondContact O-ND2 3.32Å; R122-N132 VanDerWaalsContact O-ND2 3.1Å
123M93.4Very high93.8Very high90 Ų9036.3 Ų36.344%0.44318%0.179SC..Hα-helixtrans-72.2-40.8-178-64.4-89.948.400112.4R119 S120 T121 Y233R119-M123 HydrophobicContact CG-CG 4.28Å; R119-M123 WeakPolarHBondContact O-CG 3.36Å; R119-M123 PolarHBondContact O-N 2.87Å; S120-M123 PolarHBondContact O-N 3.49Å; T121-M123 VanDerWaalsContact C-N 3.31Å; T121-M123 PolarHBondContact O-N 2.87Å; M123-Y233 HydrophobicContact CB-CE2 4.42Å; M123-Y233 VanDerWaalsContact CB-OH 3.28Å; M123-Y233 WeakPolarHBondContact CB-OH 3.31Å
124L95.6Very high93.6Very high1 Ų140.7 Ų40.71%0.00520%0.202CC..Hα-helixtrans-76.3-31.3-178.6-71.9174.6000113.1S120 T121 F217 N220 Y233 I237 R240S120-L124 VanDerWaalsContact O-CB 3.29Å; S120-L124 WeakPolarHBondContact O-CB 3.33Å; S120-L124 WeakPolarHBondContact O-CG 3.47Å; S120-L124 PolarHBondContact O-N 3.05Å; T121-L124 PolarHBondContact O-N 3.26Å; L124-F217 HydrophobicContact CB-CE2 3.87Å; L124-F217 HydrophobicContact CB-CZ 4.35Å; L124-F217 HydrophobicContact CD2-CE2 4.48Å; L124-F217 WeakPolarHBondContact O-CE2 3.28Å; L124-F217 VanDerWaalsContact O-CZ 3.25Å; L124-F217 WeakPolarHBondContact O-CZ 3.39Å; L124-N220 VanDerWaalsContact CD1-O 3.28Å; L124-N220 WeakPolarHBondContact CD1-O 3.27Å; L124-Y233 HydrophobicContact CD1-CD2 4.14Å; L124-Y233 HydrophobicContact CD1-CE2 4.29Å; L124-Y233 HydrophobicContact CG-CD2 4.4Å; L124-Y233 HydrophobicContact CG-CE2 4.09Å; L124-I237 HydrophobicContact CD2-CG1 3.99Å; L124-R240 VanDerWaalsContact O-CD 3.26Å; L124-R240 WeakPolarHBondContact O-CD 3.44Å; L124-R240 PolarHBondContact O-NH1 3.19Å
125L94.6Very high93.5Very high1 Ų140.9 Ų40.91%0.00521%0.206CC..Hα-helixtrans-76.6-34.8172-69.5178.1000112T121 T129 F217 R240 F295T121-L125 HydrophobicContact CG2-CD1 3.7Å; T121-L125 HydrophobicContact CG2-CG 4.24Å; T121-L125 WeakPolarHBondContact O-CB 3.3Å; T121-L125 WeakPolarHBondContact O-CG 3.42Å; T121-L125 PolarHBondContact O-N 3.46Å; L125-T129 HydrophobicContact CB-CG2 4.24Å; L125-T129 WeakPolarHBondContact O-CG2 3.46Å; L125-F217 HydrophobicContact CD2-CE1 4.42Å; L125-F217 HydrophobicContact CD2-CZ 4.19Å; L125-R240 PolarHBondContact O-NH1 3.27Å; L125-F295 HydrophobicContact CD1-CD1 4.11Å; L125-F295 HydrophobicContact CD1-CE1 3.87Å; L125-F295 HydrophobicContact CD1-CZ 4.39Å; L125-F295 HydrophobicContact CD2-CB 4.02Å; L125-F295 HydrophobicContact CD2-CD1 3.58Å; L125-F295 HydrophobicContact CD2-CD2 3.83Å; L125-F295 HydrophobicContact CD2-CE1 3.94Å; L125-F295 HydrophobicContact CD2-CE2 4.18Å; L125-F295 HydrophobicContact CD2-CG 3.51Å; L125-F295 HydrophobicContact CD2-CZ 4.23Å
126G93.6Very high93.6Very high0 Ų044.6 Ų44.60%023%0.225CC..  trans104152.3177.400000112.8R122 N128 T129 N132R122-G126 PolarHBondContact O-N 3.24Å; R122-G126 VanDerWaalsContact O-N 3.11Å; G126-N128 PolarHBondContact O-N 3.37Å; G126-T129 PolarHBondContact O-OG1 3.06Å; G126-N132 PolarHBondContact O-ND2 2.89Å
127P92.1Very high93.8Very high89 Ų8948.3 Ų48.358%0.57825%0.245SC*.THydrogen-bonded Turntrans-70.5-18.8-17229.6-35.8000113.4T129P127-T129 VanDerWaalsContact C-N 3.35Å
128N94.5Very high94.2Very high45 Ų4545 Ų4524%0.24123%0.232CC..THydrogen-bonded Turntrans-88.2-0.8-173.6-59.2-58.2000114.3G126 K141 E285 D288G126-N128 PolarHBondContact O-N 3.37Å; N128-K141 PolarHBondContact O-NZ 2.87Å; N128-E285 HydrophobicContact CB-CG 3.97Å; N128-D288 HydrophobicContact CB-CB 3.86Å; N128-D288 WeakPolarHBondContact CB-OD2 3.13Å; N128-D288 PolarHBondContact ND2-OD2 2.95Å
129T95.9Very high94.4Very high0 Ų047.4 Ų47.40%023%0.234CC..SBendtrans-72.9153.4-178.167.80000113L125 G126 P127 S131 N132 S133 D288 E292L125-T129 HydrophobicContact CB-CG2 4.24Å; L125-T129 WeakPolarHBondContact O-CG2 3.46Å; G126-T129 PolarHBondContact O-OG1 3.06Å; P127-T129 VanDerWaalsContact C-N 3.35Å; T129-S131 VanDerWaalsContact C-N 3.3Å; T129-S131 WeakPolarHBondContact CB-OG 3.35Å; T129-S131 PolarHBondContact OG1-OG 3.03Å; T129-N132 PolarHBondContact O-N 2.93Å; T129-N132 VanDerWaalsContact OG1-CB 3.28Å; T129-N132 WeakPolarHBondContact OG1-CB 3.25Å; T129-N132 PolarHBondContact OG1-N 3.19Å; T129-N132 PolarHBondContact OG1-ND2 3.11Å; T129-N132 VanDerWaalsContact OG1-ND2 3.15Å; T129-S133 PolarHBondContact O-N 2.66Å; T129-S133 PolarHBondContact O-OG 3.02Å; T129-D288 HydrophobicContact CG2-CB 4.25Å; T129-E292 VanDerWaalsContact CA-OE2 3.27Å; T129-E292 WeakPolarHBondContact CA-OE2 3.32Å; T129-E292 VanDerWaalsContact CB-CD 3.44Å; T129-E292 WeakPolarHBondContact CB-OE1 3.24Å; T129-E292 VanDerWaalsContact CB-OE2 3.28Å; T129-E292 WeakPolarHBondContact CB-OE2 3.41Å; T129-E292 HydrophobicContact CG2-CB 3.92Å; T129-E292 HydrophobicContact CG2-CG 4.46Å
130V95.9Very high94.6Very high10 Ų1045.2 Ų45.26%0.06123%0.234CC..THydrogen-bonded Turntrans-62.3-42.1172.6-177.70000110N132 S133 H138 K141 R142 F145 E292 R439 L442V130-N132 VanDerWaalsContact C-N 3.33Å; V130-N132 PolarHBondContact O-N 2.9Å; V130-S133 PolarHBondContact O-N 2.97Å; V130-H138 PolarHBondContact O-CD2 2.93Å; V130-K141 HydrophobicContact CG2-CB 4.07Å; V130-R142 HydrophobicContact CG1-CB 4.35Å; V130-F145 HydrophobicContact CG2-CB 4.37Å; V130-F145 HydrophobicContact CG2-CD1 4.02Å; V130-F145 HydrophobicContact CG2-CD2 3.61Å; V130-F145 HydrophobicContact CG2-CE1 4.16Å; V130-F145 HydrophobicContact CG2-CE2 3.76Å; V130-F145 HydrophobicContact CG2-CG 3.73Å; V130-F145 HydrophobicContact CG2-CZ 4.04Å; V130-E292 PolarHBondContact N-OE1 2.8Å; V130-E292 PolarHBondContact N-OE2 2.7Å; V130-R439 PolarHBondContact O-NH1 3.32Å; V130-L442 HydrophobicContact CG1-CD1 4.37Å
131S94.2Very high94.7Very high23 Ų2347 Ų4716%0.16124%0.241CC..THydrogen-bonded Turntrans-57.1-39178.246.90000113.7W117 T129 E292 R439W117-S131 PolarHBondContact NE1-O 3.43Å; T129-S131 VanDerWaalsContact C-N 3.3Å; T129-S131 WeakPolarHBondContact CB-OG 3.35Å; T129-S131 PolarHBondContact OG1-OG 3.03Å; S131-E292 WeakPolarHBondContact CB-OE1 3.48Å; S131-E292 PolarHBondContact N-OE1 3.49Å; S131-E292 PolarHBondContact OG-OE1 3.45Å; S131-R439 PolarHBondContact O-NH1 3.31Å
132N94.3Very high94.9Very high30 Ų3049.5 Ų49.516%0.1625%0.25CS..THydrogen-bonded Turntrans-87.7-13.4179-72.2-29.4000113.9R122 G126 T129 V130R122-N132 WeakPolarHBondContact CG-OD1 3.31Å; R122-N132 PolarHBondContact O-ND2 3.32Å; R122-N132 VanDerWaalsContact O-ND2 3.1Å; G126-N132 PolarHBondContact O-ND2 2.89Å; T129-N132 PolarHBondContact O-N 2.93Å; T129-N132 VanDerWaalsContact OG1-CB 3.28Å; T129-N132 WeakPolarHBondContact OG1-CB 3.25Å; T129-N132 PolarHBondContact OG1-N 3.19Å; T129-N132 PolarHBondContact OG1-ND2 3.11Å; T129-N132 VanDerWaalsContact OG1-ND2 3.15Å; V130-N132 VanDerWaalsContact C-N 3.33Å; V130-N132 PolarHBondContact O-N 2.9Å
133S95.1Very high94.9Very high8 Ų849.9 Ų49.96%0.05626%0.255CS..  trans-78.2152.7-179.7-60.70000111.3T129 V130 K141 R439T129-S133 PolarHBondContact O-N 2.66Å; T129-S133 PolarHBondContact O-OG 3.02Å; V130-S133 PolarHBondContact O-N 2.97Å; S133-K141 WeakPolarHBondContact OG-CD 3.43Å; S133-K141 PolarHBondContact OG-NZ 3.48Å; S133-K141 VanDerWaalsContact OG-NZ 3.08Å; S133-R439 VanDerWaalsContact O-CZ 3.22Å; S133-R439 PolarHBondContact O-NH1 3.19Å; S133-R439 PolarHBondContact O-NH2 2.85Å
134I95.3Very high95Very high93 Ų9346.4 Ų46.448%0.47724%0.239SC..  trans-133.4166.1176.159.3171.4000110.7I137 H138I134-I137 PolarHBondContact O-N 3.46Å; I134-H138 PolarHBondContact O-N 3.47Å; I134-H138 VanDerWaalsContact O-N 3.16Å
135G95Very high95Very high20 Ų2046.9 Ų46.921%0.20624%0.241CC..Hα-helixtrans56.3-137.8175.500000113.8H110 I137 H138 R139H110-G135 PolarHBondContact CE1-N 3.02Å; H110-G135 VanDerWaalsContact CE1-N 3.26Å; H110-G135 PolarHBondContact ND1-N 2.99Å; G135-I137 VanDerWaalsContact C-N 3.34Å; G135-I137 PolarHBondContact O-N 2.88Å; G135-H138 WeakPolarHBondContact O-CB 3.34Å; G135-H138 PolarHBondContact O-N 2.95Å; G135-R139 PolarHBondContact O-N 3.36Å
136D95.5Very high95.1Very high100 Ų10049.5 Ų49.554%0.53526%0.26SS..Hα-helixtrans-65.9-33.5-179.8-66.9-50.7000113.4H138 R139 N140D136-H138 VanDerWaalsContact C-N 3.29Å; D136-H138 PolarHBondContact O-N 3.28Å; D136-R139 VanDerWaalsContact CG-NH2 3.27Å; D136-R139 PolarHBondContact O-N 2.9Å; D136-R139 IonicContact OD1-CZ 2.86Å; D136-R139 IonicContact OD1-NE 3.49Å; D136-R139 PolarHBondContact OD1-NE 3.16Å; D136-R139 IonicContact OD1-NH2 3.88Å; D136-R139 PolarHBondContact OD1-NH2 2.98Å; D136-R139 IonicContact OD2-NH2 3.64Å; D136-R139 PolarHBondContact OD2-NH2 3.34Å; D136-N140 WeakPolarHBondContact O-CB 3.49Å; D136-N140 VanDerWaalsContact O-CG 3.28Å; D136-N140 PolarHBondContact O-N 3.41Å
137I95.2Very high95.1Very high107 Ų10752.2 Ų52.255%0.54927%0.272SS..Hα-helixtrans-59.4-46175.3-58.7175.2000109.6I134 G135 K141I134-I137 PolarHBondContact O-N 3.46Å; G135-I137 VanDerWaalsContact C-N 3.34Å; G135-I137 PolarHBondContact O-N 2.88Å; I137-K141 HydrophobicContact CG2-CD 4.27Å; I137-K141 WeakPolarHBondContact O-CG 3.5Å; I137-K141 PolarHBondContact O-N 2.75Å
138H96.9Very high95.3Very high2 Ų248 Ų481%0.00924%0.244CC..Hα-helixtrans-62.9-46.7174.7167.1-96.9000112H110 V130 I134 G135 D136 N140 K141 R142 V438 R439H110-H138 AromaticContact CE1-CG 3.89Å; H110-H138 AromaticContact CE1-ND1 3.64Å; H110-H138 AromaticContact NE2-CE1 3.75Å; H110-H138 AromaticContact NE2-CG 3.77Å; H110-H138 AromaticContact NE2-ND1 3.07Å; H110-H138 PolarHBondContact NE2-ND1 3.45Å; V130-H138 PolarHBondContact O-CD2 2.93Å; I134-H138 PolarHBondContact O-N 3.47Å; I134-H138 VanDerWaalsContact O-N 3.16Å; G135-H138 WeakPolarHBondContact O-CB 3.34Å; G135-H138 PolarHBondContact O-N 2.95Å; D136-H138 VanDerWaalsContact C-N 3.29Å; D136-H138 PolarHBondContact O-N 3.28Å; H138-N140 VanDerWaalsContact C-N 3.34Å; H138-N140 PolarHBondContact O-N 3.45Å; H138-K141 PolarHBondContact O-N 3.08Å; H138-R142 WeakPolarHBondContact O-CB 3.36Å; H138-R142 PolarHBondContact O-N 3.37Å; H138-V438 PolarHBondContact CE1-O 2.94Å; H138-V438 VanDerWaalsContact CE1-O 3.27Å; H138-R439 PolarHBondContact CD2-NH1 3.25Å; H138-R439 PolarHBondContact NE2-NH1 2.91Å
139R95.9Very high95.4Very high110 Ų11047.1 Ų47.142%0.41524%0.238SC..Hα-helixtrans-57.6-46.7179.6-75-174.2-84.4-95.26.1111.7G135 D136 R142 K143G135-R139 PolarHBondContact O-N 3.36Å; D136-R139 VanDerWaalsContact CG-NH2 3.27Å; D136-R139 PolarHBondContact O-N 2.9Å; D136-R139 IonicContact OD1-CZ 2.86Å; D136-R139 IonicContact OD1-NE 3.49Å; D136-R139 PolarHBondContact OD1-NE 3.16Å; D136-R139 IonicContact OD1-NH2 3.88Å; D136-R139 PolarHBondContact OD1-NH2 2.98Å; D136-R139 IonicContact OD2-NH2 3.64Å; D136-R139 PolarHBondContact OD2-NH2 3.34Å; R139-R142 PolarHBondContact O-N 3.05Å; R139-K143 PolarHBondContact O-N 2.77Å
140N94.5Very high95.3Very high105 Ų10548.8 Ų48.856%0.56125%0.25SC*.Hα-helixtrans-66-49.6-179-69.5-13.5000111.8D136 H138 R142 K143 V144D136-N140 WeakPolarHBondContact O-CB 3.49Å; D136-N140 VanDerWaalsContact O-CG 3.28Å; D136-N140 PolarHBondContact O-N 3.41Å; H138-N140 VanDerWaalsContact C-N 3.34Å; H138-N140 PolarHBondContact O-N 3.45Å; N140-R142 VanDerWaalsContact C-N 3.31Å; N140-R142 PolarHBondContact O-N 2.86Å; N140-K143 WeakPolarHBondContact O-CB 3.48Å; N140-K143 PolarHBondContact O-N 3.22Å; N140-V144 PolarHBondContact O-N 2.84Å; N140-V144 VanDerWaalsContact O-N 3.12Å
141K95.3Very high95.3Very high38 Ų3853 Ų5317%0.16527%0.269CS..Hα-helixtrans-62.1-40.9176.7-69.5-177.3-178178.90111.9N128 V130 S133 I137 H138 K143 V144 F145N128-K141 PolarHBondContact O-NZ 2.87Å; V130-K141 HydrophobicContact CG2-CB 4.07Å; S133-K141 WeakPolarHBondContact OG-CD 3.43Å; S133-K141 PolarHBondContact OG-NZ 3.48Å; S133-K141 VanDerWaalsContact OG-NZ 3.08Å; I137-K141 HydrophobicContact CG2-CD 4.27Å; I137-K141 WeakPolarHBondContact O-CG 3.5Å; I137-K141 PolarHBondContact O-N 2.75Å; H138-K141 PolarHBondContact O-N 3.08Å; K141-K143 VanDerWaalsContact C-N 3.3Å; K141-K143 PolarHBondContact O-N 3.28Å; K141-V144 PolarHBondContact O-N 3.39Å; K141-F145 VanDerWaalsContact O-CD2 3.31Å; K141-F145 WeakPolarHBondContact O-CD2 3.25Å; K141-F145 PolarHBondContact O-N 3.41Å
142R96.1Very high95.2Very high53 Ų5358.2 Ų58.220%0.229%0.29CS..Hα-helixtrans-60.4-40.2176.5-174.9-177.7177.587.57.3111.6V130 H138 R139 N140 F145 S146 V438 T440 L442V130-R142 HydrophobicContact CG1-CB 4.35Å; H138-R142 WeakPolarHBondContact O-CB 3.36Å; H138-R142 PolarHBondContact O-N 3.37Å; R139-R142 PolarHBondContact O-N 3.05Å; N140-R142 VanDerWaalsContact C-N 3.31Å; N140-R142 PolarHBondContact O-N 2.86Å; R142-F145 PolarHBondContact O-N 2.91Å; R142-S146 WeakPolarHBondContact O-CB 3.23Å; R142-S146 PolarHBondContact O-N 2.97Å; R142-V438 WeakPolarHBondContact CD-O 3.21Å; R142-V438 PolarHBondContact NE-O 3.37Å; R142-V438 VanDerWaalsContact NE-O 3.1Å; R142-V438 PolarHBondContact NH1-O 3.42Å; R142-V438 VanDerWaalsContact NH1-O 3.13Å; R142-T440 PolarHBondContact NH1-O 3.49Å; R142-T440 PolarHBondContact NH2-O 2.68Å; R142-L442 HydrophobicContact CG-CD1 4.15Å; R142-L442 HydrophobicContact CG-CD2 3.82Å; R142-L442 HydrophobicContact CG-CG 4.27Å
143K94.9Very high95.2Very high122 Ų12257 Ų5753%0.5328%0.284SS..Hα-helixtrans-60.1-48.3175.2-168.6-176.5179.6-152.40110.7R139 N140 K141 S146 H277R139-K143 PolarHBondContact O-N 2.77Å; N140-K143 WeakPolarHBondContact O-CB 3.48Å; N140-K143 PolarHBondContact O-N 3.22Å; K141-K143 VanDerWaalsContact C-N 3.3Å; K141-K143 PolarHBondContact O-N 3.28Å; K143-S146 PolarHBondContact O-N 2.94Å; K143-S146 PolarHBondContact O-OG 2.86Å; K143-H277 VanDerWaalsContact CD-NE2 3.27Å; K143-H277 WeakPolarHBondContact CD-NE2 3.49Å; K143-H277 WeakPolarHBondContact CE-NE2 3.39Å; K143-H277 PolarHBondContact NZ-NE2 3.36Å
144V95.1Very high95.3Very high17 Ų1757.1 Ų57.110%0.10328%0.284CS..Hα-helixtrans-59.4-49.9176.9173.70000111.5N140 K141 S146 L270 S273 H277N140-V144 PolarHBondContact O-N 2.84Å; N140-V144 VanDerWaalsContact O-N 3.12Å; K141-V144 PolarHBondContact O-N 3.39Å; V144-S146 VanDerWaalsContact C-N 3.25Å; V144-S146 PolarHBondContact O-N 3.5Å; V144-L270 HydrophobicContact CG1-CD1 3.86Å; V144-S273 WeakPolarHBondContact CA-OG 3.41Å; V144-S273 WeakPolarHBondContact O-CB 3.27Å; V144-S273 PolarHBondContact O-OG 2.89Å; V144-H277 HydrophobicContact CG2-CB 4.09Å
145F95.8Very high95.2Very high11 Ų1157.6 Ų57.65%0.04828%0.284CS..Hα-helixtrans-67.4-21.1179.5-86.9-112000113.7V130 K141 R142 K147 I148 F149 L270 L293 L442V130-F145 HydrophobicContact CG2-CB 4.37Å; V130-F145 HydrophobicContact CG2-CD1 4.02Å; V130-F145 HydrophobicContact CG2-CD2 3.61Å; V130-F145 HydrophobicContact CG2-CE1 4.16Å; V130-F145 HydrophobicContact CG2-CE2 3.76Å; V130-F145 HydrophobicContact CG2-CG 3.73Å; V130-F145 HydrophobicContact CG2-CZ 4.04Å; K141-F145 VanDerWaalsContact O-CD2 3.31Å; K141-F145 WeakPolarHBondContact O-CD2 3.25Å; K141-F145 PolarHBondContact O-N 3.41Å; R142-F145 PolarHBondContact O-N 2.91Å; F145-K147 PolarHBondContact O-N 3.16Å; F145-I148 HydrophobicContact CD1-CD1 4.13Å; F145-I148 VanDerWaalsContact O-CG1 3.32Å; F145-I148 WeakPolarHBondContact O-CG1 3.49Å; F145-I148 PolarHBondContact O-N 3.28Å; F145-F149 WeakPolarHBondContact O-CD2 3.2Å; F145-L270 HydrophobicContact CB-CD1 4.48Å; F145-L270 HydrophobicContact CD1-CD1 4.16Å; F145-L270 HydrophobicContact CD2-CD1 3.51Å; F145-L270 HydrophobicContact CE1-CD1 4.27Å; F145-L270 HydrophobicContact CE1-CD2 4.13Å; F145-L270 HydrophobicContact CE2-CD1 3.65Å; F145-L270 HydrophobicContact CE2-CD2 4.14Å; F145-L270 HydrophobicContact CE2-CG 4.5Å; F145-L270 HydrophobicContact CG-CD1 3.79Å; F145-L270 HydrophobicContact CZ-CD1 4.04Å; F145-L270 HydrophobicContact CZ-CD2 3.8Å; F145-L293 HydrophobicContact CD1-CD2 4.33Å; F145-L293 HydrophobicContact CE1-CD2 4.21Å; F145-L293 HydrophobicContact CE1-CG 4.34Å; F145-L442 HydrophobicContact CB-CD1 3.91Å
146S95.8Very high95Very high57 Ų5758.6 Ų58.640%0.39929%0.288SS..Hα-helixtrans-65.3-27.7-177.870.20000113.3R142 K143 V144 I148 F149R142-S146 WeakPolarHBondContact O-CB 3.23Å; R142-S146 PolarHBondContact O-N 2.97Å; K143-S146 PolarHBondContact O-N 2.94Å; K143-S146 PolarHBondContact O-OG 2.86Å; V144-S146 VanDerWaalsContact C-N 3.25Å; V144-S146 PolarHBondContact O-N 3.5Å; S146-I148 VanDerWaalsContact C-N 3.28Å; S146-I148 PolarHBondContact O-N 3.4Å; S146-F149 PolarHBondContact O-N 2.93Å; S146-F149 VanDerWaalsContact O-N 3.12Å
147K94.6Very high94.9Very high57 Ų5753.8 Ų53.825%0.24826%0.263CS..G310 helixtrans-60.6-35.6-179.2-166179.5-172.5-178.60112.8F145 F149 S150 E276F145-K147 PolarHBondContact O-N 3.16Å; K147-F149 PolarHBondContact O-N 2.6Å; K147-F149 VanDerWaalsContact O-N 3.16Å; K147-S150 VanDerWaalsContact O-CB 3.27Å; K147-S150 WeakPolarHBondContact O-CB 3.29Å; K147-S150 PolarHBondContact O-N 3.31Å; K147-S150 VanDerWaalsContact O-N 3.16Å; K147-S150 PolarHBondContact O-OG 2.99Å; K147-E276 IonicContact NZ-OE1 2.88Å; K147-E276 PolarHBondContact NZ-OE1 3.27Å; K147-E276 IonicContact NZ-OE2 3.81Å; K147-E276 PolarHBondContact NZ-OE2 2.98Å
148I95.5Very high94.9Very high0 Ų048.8 Ų48.80%024%0.237CC..G310 helixtrans-73-6.2-178.485.4-164.6000113F145 S146 Y157 A266 L269 L270 L293F145-I148 HydrophobicContact CD1-CD1 4.13Å; F145-I148 VanDerWaalsContact O-CG1 3.32Å; F145-I148 WeakPolarHBondContact O-CG1 3.49Å; F145-I148 PolarHBondContact O-N 3.28Å; S146-I148 VanDerWaalsContact C-N 3.28Å; S146-I148 PolarHBondContact O-N 3.4Å; I148-Y157 WeakPolarHBondContact O-CE2 3.45Å; I148-Y157 PolarHBondContact O-OH 3.44Å; I148-A266 HydrophobicContact CB-CB 3.93Å; I148-A266 HydrophobicContact CD1-CB 4.27Å; I148-A266 HydrophobicContact CG1-CB 4.27Å; I148-A266 HydrophobicContact CG2-CB 4.48Å; I148-A266 VanDerWaalsContact CG2-O 3.28Å; I148-A266 WeakPolarHBondContact CG2-O 3.45Å; I148-L269 HydrophobicContact CG2-CB 4.01Å; I148-L270 HydrophobicContact CG2-CB 3.9Å; I148-L270 HydrophobicContact CG2-CD1 4.42Å; I148-L293 HydrophobicContact CD1-CD1 4.18Å; I148-L293 HydrophobicContact CD1-CD2 3.68Å
149F96Very high94.7Very high27 Ų2751.2 Ų51.212%0.11825%0.253CS..G310 helixtrans-118.916.6176.5-53.7-69000111.8F145 S146 K147 L293 L442 L446F145-F149 WeakPolarHBondContact O-CD2 3.2Å; S146-F149 PolarHBondContact O-N 2.93Å; S146-F149 VanDerWaalsContact O-N 3.12Å; K147-F149 PolarHBondContact O-N 2.6Å; K147-F149 VanDerWaalsContact O-N 3.16Å; F149-L293 HydrophobicContact CZ-CD2 4.08Å; F149-L442 HydrophobicContact CD2-CB 3.78Å; F149-L442 HydrophobicContact CE2-CB 3.62Å; F149-L442 HydrophobicContact CZ-CB 4.47Å; F149-L446 HydrophobicContact CD1-CB 4.15Å; F149-L446 HydrophobicContact CD1-CD2 4.32Å; F149-L446 HydrophobicContact CE1-CB 4.44Å; F149-L446 HydrophobicContact CE1-CD2 3.93Å
150S95.2Very high94.5Very high34 Ų3449.6 Ų49.624%0.23825%0.249CC..SBendtrans-64.6163.6171.959.70000111.4K147 E152 A153 L154K147-S150 VanDerWaalsContact O-CB 3.27Å; K147-S150 WeakPolarHBondContact O-CB 3.29Å; K147-S150 PolarHBondContact O-N 3.31Å; K147-S150 VanDerWaalsContact O-N 3.16Å; K147-S150 PolarHBondContact O-OG 2.99Å; S150-E152 VanDerWaalsContact C-N 3.3Å; S150-E152 WeakPolarHBondContact CB-OE2 3.41Å; S150-E152 PolarHBondContact O-N 2.96Å; S150-A153 PolarHBondContact O-N 3.34Å; S150-A153 WeakPolarHBondContact OG-CB 3.49Å; S150-A153 PolarHBondContact OG-N 3.04Å; S150-L154 VanDerWaalsContact O-CG 3.26Å; S150-L154 WeakPolarHBondContact O-CG 3.43Å; S150-L154 PolarHBondContact O-N 3.47Å
151H94.5Very high94.5Very high100 Ų10044.6 Ų44.646%0.46322%0.222SC..Hα-helixtrans-61.2-44.6179.8-178.677.5000111A153 L154 E155H151-A153 VanDerWaalsContact C-N 3.35Å; H151-A153 PolarHBondContact O-N 3Å; H151-L154 PolarHBondContact O-N 3.5Å; H151-L154 VanDerWaalsContact O-N 3.16Å; H151-E155 PolarHBondContact O-N 2.92Å
152E93.4Very high94.5Very high132 Ų13243.3 Ų43.362%0.61722%0.216SC*.Hα-helixtrans-62.3-41.2179.7-58.175.4-166.700111.3S150 E155 S156S150-E152 VanDerWaalsContact C-N 3.3Å; S150-E152 WeakPolarHBondContact CB-OE2 3.41Å; S150-E152 PolarHBondContact O-N 2.96Å; E152-E155 PolarHBondContact O-N 2.94Å; E152-S156 PolarHBondContact O-N 2.65Å
153A94.5Very high94.3Very high3 Ų345.2 Ų45.23%0.02523%0.23CC..Hα-helixtrans-64.1-43.5174.300000112S150 H151 E155 S156 Y157 L269S150-A153 PolarHBondContact O-N 3.34Å; S150-A153 WeakPolarHBondContact OG-CB 3.49Å; S150-A153 PolarHBondContact OG-N 3.04Å; H151-A153 VanDerWaalsContact C-N 3.35Å; H151-A153 PolarHBondContact O-N 3Å; A153-E155 VanDerWaalsContact C-N 3.28Å; A153-E155 PolarHBondContact O-N 3.46Å; A153-S156 PolarHBondContact O-N 2.9Å; A153-S156 PolarHBondContact O-OG 3.41Å; A153-Y157 HydrophobicContact CB-CE2 4.09Å; A153-Y157 WeakPolarHBondContact O-CD1 3.43Å; A153-Y157 VanDerWaalsContact O-CD2 3.27Å; A153-Y157 WeakPolarHBondContact O-CD2 3.48Å; A153-Y157 WeakPolarHBondContact O-CE1 3.46Å; A153-Y157 WeakPolarHBondContact O-CE2 3.49Å; A153-Y157 PolarHBondContact O-N 3.49Å; A153-Y157 VanDerWaalsContact O-N 3.16Å; A153-L269 HydrophobicContact CB-CD1 3.46Å; A153-L269 VanDerWaalsContact CB-CD1 3.46Å
154L95.8Very high94.2Very high12 Ų1240 Ų406%0.06321%0.209CC..Hα-helixtrans-67.1-32.3179.2-66.1178000112.4S150 H151 Y157 L158 L345 H445 L446 L449S150-L154 VanDerWaalsContact O-CG 3.26Å; S150-L154 WeakPolarHBondContact O-CG 3.43Å; S150-L154 PolarHBondContact O-N 3.47Å; H151-L154 PolarHBondContact O-N 3.5Å; H151-L154 VanDerWaalsContact O-N 3.16Å; L154-Y157 HydrophobicContact CD2-CD2 4.14Å; L154-Y157 HydrophobicContact CD2-CE2 4.49Å; L154-Y157 PolarHBondContact O-N 3.09Å; L154-L158 PolarHBondContact O-N 3.34Å; L154-L158 VanDerWaalsContact O-N 3.13Å; L154-L345 HydrophobicContact CB-CD1 4.41Å; L154-H445 HydrophobicContact CD1-CB 3.47Å; L154-H445 VanDerWaalsContact CD1-CB 3.47Å; L154-L446 HydrophobicContact CD2-CB 3.74Å; L154-L446 HydrophobicContact CD2-CD1 3.79Å; L154-L446 HydrophobicContact CD2-CG 4.36Å; L154-L449 HydrophobicContact CB-CD2 4.07Å; L154-L449 HydrophobicContact CD2-CD2 4.44Å
155E93.4Very high94.3Very high102 Ų10239.2 Ų39.248%0.47720%0.204SC..Hα-helixtrans-64.1-43.6175.6-164.9171.9-165.300110.8H151 E152 A153 Y157 L158 P159 L345H151-E155 PolarHBondContact O-N 2.92Å; E152-E155 PolarHBondContact O-N 2.94Å; A153-E155 VanDerWaalsContact C-N 3.28Å; A153-E155 PolarHBondContact O-N 3.46Å; E155-Y157 VanDerWaalsContact C-N 3.3Å; E155-Y157 PolarHBondContact O-N 2.92Å; E155-L158 PolarHBondContact O-N 3.21Å; E155-P159 WeakPolarHBondContact O-CD 3.49Å; E155-L345 HydrophobicContact CB-CD1 3.59Å; E155-L345 HydrophobicContact CB-CG 4.29Å; E155-L345 HydrophobicContact CG-CD1 4.07Å; E155-L345 HydrophobicContact CG-CG 4.36Å
156S91.5Very high94.1Very high41 Ų4141.1 Ų41.129%0.28721%0.213SC..Hα-helixtrans-68.1-28.6177.779.80000113.2E152 A153 S264E152-S156 PolarHBondContact O-N 2.65Å; A153-S156 PolarHBondContact O-N 2.9Å; A153-S156 PolarHBondContact O-OG 3.41Å; S156-S264 PolarHBondContact OG-O 3.4Å
157Y93.9Very high93.9Very high0 Ų041.8 Ų41.80%021%0.212CC..Hα-helixtrans-79-30.3179.1-56.3-17.9000113.2I148 A153 L154 E155 K160 I161 V196 L197 S264 A266 L269 L446I148-Y157 WeakPolarHBondContact O-CE2 3.45Å; I148-Y157 PolarHBondContact O-OH 3.44Å; A153-Y157 HydrophobicContact CB-CE2 4.09Å; A153-Y157 WeakPolarHBondContact O-CD1 3.43Å; A153-Y157 VanDerWaalsContact O-CD2 3.27Å; A153-Y157 WeakPolarHBondContact O-CD2 3.48Å; A153-Y157 WeakPolarHBondContact O-CE1 3.46Å; A153-Y157 WeakPolarHBondContact O-CE2 3.49Å; A153-Y157 PolarHBondContact O-N 3.49Å; A153-Y157 VanDerWaalsContact O-N 3.16Å; L154-Y157 HydrophobicContact CD2-CD2 4.14Å; L154-Y157 HydrophobicContact CD2-CE2 4.49Å; L154-Y157 PolarHBondContact O-N 3.09Å; E155-Y157 VanDerWaalsContact C-N 3.3Å; E155-Y157 PolarHBondContact O-N 2.92Å; Y157-K160 PolarHBondContact O-N 3.38Å; Y157-K160 VanDerWaalsContact O-N 3.08Å; Y157-I161 WeakPolarHBondContact O-CG1 3.36Å; Y157-I161 PolarHBondContact O-N 3.26Å; Y157-V196 HydrophobicContact CG-CG1 4.24Å; Y157-L197 HydrophobicContact CD2-CD2 4.31Å; Y157-L197 HydrophobicContact CE2-CD2 4.31Å; Y157-S264 WeakPolarHBondContact CE1-O 3.36Å; Y157-A266 HydrophobicContact CE2-CB 4.41Å; Y157-A266 WeakPolarHBondContact OH-CA 3.47Å; Y157-A266 WeakPolarHBondContact OH-CB 3.39Å; Y157-A266 PolarHBondContact OH-N 3.38Å; Y157-L269 WeakPolarHBondContact OH-CD1 3.41Å; Y157-L446 HydrophobicContact CD2-CD1 4.3Å
158L94.6Very high93.8Very high2 Ų239.5 Ų39.51%0.0120%0.203CC..Hα-helixtrans-52.3-50.5-169170.558.1000113.6L154 E155 K160 I161 Q162 L343 L345 L348 L449 V453L154-L158 PolarHBondContact O-N 3.34Å; L154-L158 VanDerWaalsContact O-N 3.13Å; E155-L158 PolarHBondContact O-N 3.21Å; L158-K160 VanDerWaalsContact C-N 3.25Å; L158-K160 PolarHBondContact O-N 3.47Å; L158-I161 PolarHBondContact O-N 3.16Å; L158-I161 VanDerWaalsContact O-N 3.14Å; L158-Q162 PolarHBondContact O-N 3.5Å; L158-L343 HydrophobicContact CD1-CB 4.25Å; L158-L343 HydrophobicContact CD2-CB 4.3Å; L158-L343 WeakPolarHBondContact CD2-O 3.46Å; L158-L343 HydrophobicContact CG-CB 4.46Å; L158-L345 HydrophobicContact CD2-CD2 3.98Å; L158-L345 HydrophobicContact CD2-CG 4.12Å; L158-L348 HydrophobicContact CD1-CD1 3.87Å; L158-L348 HydrophobicContact CD2-CD1 4.08Å; L158-L449 HydrophobicContact CB-CD2 4.43Å; L158-L449 HydrophobicContact CD1-CD1 4.05Å; L158-L449 HydrophobicContact CD1-CG 4.48Å; L158-V453 HydrophobicContact CD1-CG2 3.41Å; L158-V453 VanDerWaalsContact CD1-CG2 3.41Å
159P91.8Very high93.7Very high52 Ų5239.7 Ų39.734%0.33820%0.204SC..Hα-helixtrans-57.7-39-179.8-25.435.1000112.7E155 Q162 L163 T342E155-P159 WeakPolarHBondContact O-CD 3.49Å; P159-Q162 PolarHBondContact O-N 2.98Å; P159-L163 WeakPolarHBondContact O-CG 3.36Å; P159-L163 PolarHBondContact O-N 2.69Å; P159-T342 HydrophobicContact CB-CG2 4.07Å; P159-T342 HydrophobicContact CG-CG2 3.97Å
160K91.7Very high93.5Very high76 Ų7645 Ų4533%0.3322%0.223SC..Hα-helixtrans-74.3-36178.6-66.2-165170.1-150.30113.1Y157 L158 Q162 L163 V164 V196 Y263Y157-K160 PolarHBondContact O-N 3.38Å; Y157-K160 VanDerWaalsContact O-N 3.08Å; L158-K160 VanDerWaalsContact C-N 3.25Å; L158-K160 PolarHBondContact O-N 3.47Å; K160-Q162 VanDerWaalsContact C-N 3.3Å; K160-L163 PolarHBondContact O-N 3.07Å; K160-V164 WeakPolarHBondContact O-CB 3.41Å; K160-V164 VanDerWaalsContact O-CG2 3.3Å; K160-V164 WeakPolarHBondContact O-CG2 3.26Å; K160-V164 PolarHBondContact O-N 3.28Å; K160-V196 HydrophobicContact CB-CG1 4.14Å; K160-V196 HydrophobicContact CB-CG2 3.92Å; K160-Y263 HydrophobicContact CD-CD1 4.49Å; K160-Y263 HydrophobicContact CD-CE1 3.91Å; K160-Y263 HydrophobicContact CD-CE2 3.84Å; K160-Y263 VanDerWaalsContact CD-CZ 3.5Å; K160-Y263 WeakPolarHBondContact CD-OH 3.35Å; K160-Y263 WeakPolarHBondContact CE-OH 3.42Å; K160-Y263 PolarHBondContact NZ-OH 3.29Å
161I95.6Very high93.4Very high1 Ų145.9 Ų45.91%0.00523%0.232CC..Hα-helixtrans-59.5-46.9171.9-67.6172000109.4Y157 L158 V164 I165 V196 L446 L449 F450 V453Y157-I161 WeakPolarHBondContact O-CG1 3.36Å; Y157-I161 PolarHBondContact O-N 3.26Å; L158-I161 PolarHBondContact O-N 3.16Å; L158-I161 VanDerWaalsContact O-N 3.14Å; I161-V164 PolarHBondContact O-N 2.67Å; I161-I165 HydrophobicContact CG2-CD1 3.74Å; I161-I165 WeakPolarHBondContact O-CB 3.15Å; I161-I165 WeakPolarHBondContact O-CG1 3.16Å; I161-I165 PolarHBondContact O-N 3.29Å; I161-V196 HydrophobicContact CG1-CG1 3.97Å; I161-L446 HydrophobicContact CD1-CD1 3.71Å; I161-L449 HydrophobicContact CD1-CD2 4.17Å; I161-F450 HydrophobicContact CG2-CD2 3.85Å; I161-F450 HydrophobicContact CG2-CE2 4.44Å; I161-V453 HydrophobicContact CG2-CB 4.35Å; I161-V453 HydrophobicContact CG2-CG1 4.34Å; I161-V453 HydrophobicContact CG2-CG2 4.42Å
162Q94.6Very high93.4Very high10 Ų1041.4 Ų41.45%0.04721%0.211CC..Hα-helixtrans-59.2-50.9178.1-171-177.43.600111.4L158 P159 K160 V164 I165 Q166 G341 L343 V453 E457L158-Q162 PolarHBondContact O-N 3.5Å; P159-Q162 PolarHBondContact O-N 2.98Å; K160-Q162 VanDerWaalsContact C-N 3.3Å; Q162-V164 PolarHBondContact O-N 3.44Å; Q162-I165 PolarHBondContact O-N 3.08Å; Q162-Q166 HydrophobicContact CG-CG 4.37Å; Q162-Q166 WeakPolarHBondContact O-CB 3.26Å; Q162-Q166 WeakPolarHBondContact O-CG 3.3Å; Q162-Q166 PolarHBondContact O-N 2.77Å; Q162-G341 PolarHBondContact NE2-O 3.32Å; Q162-L343 HydrophobicContact CG-CD1 4.1Å; Q162-V453 HydrophobicContact CB-CG1 4.03Å; Q162-V453 HydrophobicContact CG-CG1 4.19Å; Q162-E457 VanDerWaalsContact CG-OE1 3.22Å; Q162-E457 WeakPolarHBondContact CG-OE1 3.43Å; Q162-E457 PolarHBondContact NE2-OE1 3.44Å
163L91.9Very high93.2Very high93 Ų9336.3 Ų36.349%0.48719%0.19SC..Hα-helixtrans-57.5-47.6178.7-74.5171.4000112.7P159 K160 I165 Q166 D167P159-L163 WeakPolarHBondContact O-CG 3.36Å; P159-L163 PolarHBondContact O-N 2.69Å; K160-L163 PolarHBondContact O-N 3.07Å; L163-I165 VanDerWaalsContact C-N 3.29Å; L163-I165 PolarHBondContact O-N 3.4Å; L163-Q166 PolarHBondContact O-N 3.23Å; L163-D167 WeakPolarHBondContact O-CB 3.33Å; L163-D167 PolarHBondContact O-N 3.23Å
164V93.3Very high93Very high14 Ų1441 Ų419%0.08522%0.223CC..Hα-helixtrans-62.7-37.3179.6170.40000111.6K160 I161 Q162 T168 L188 R191 V196K160-V164 WeakPolarHBondContact O-CB 3.41Å; K160-V164 VanDerWaalsContact O-CG2 3.3Å; K160-V164 WeakPolarHBondContact O-CG2 3.26Å; K160-V164 PolarHBondContact O-N 3.28Å; I161-V164 PolarHBondContact O-N 2.67Å; Q162-V164 PolarHBondContact O-N 3.44Å; V164-T168 WeakPolarHBondContact O-CB 3.46Å; V164-T168 PolarHBondContact O-N 2.86Å; V164-T168 VanDerWaalsContact O-N 3.16Å; V164-T168 PolarHBondContact O-OG1 3.49Å; V164-L188 HydrophobicContact CG1-CD1 3.74Å; V164-R191 HydrophobicContact CG1-CB 4.46Å; V164-V196 HydrophobicContact CG2-CG2 4.23Å
165I95.9Very high92.6Very high0 Ų045.6 Ų45.60%024%0.244CC..Hα-helixtrans-67.7-47.1174.9-73.2169.1000110.5I161 Q162 L163 D167 T168 L169 L188 F450 V453 L454 E457I161-I165 HydrophobicContact CG2-CD1 3.74Å; I161-I165 WeakPolarHBondContact O-CB 3.15Å; I161-I165 WeakPolarHBondContact O-CG1 3.16Å; I161-I165 PolarHBondContact O-N 3.29Å; Q162-I165 PolarHBondContact O-N 3.08Å; L163-I165 VanDerWaalsContact C-N 3.29Å; L163-I165 PolarHBondContact O-N 3.4Å; I165-D167 PolarHBondContact O-N 3.05Å; I165-T168 WeakPolarHBondContact O-CB 3.15Å; I165-T168 PolarHBondContact O-N 3.1Å; I165-T168 VanDerWaalsContact O-N 3.16Å; I165-L169 HydrophobicContact CG2-CD1 4.02Å; I165-L169 HydrophobicContact CG2-CG 4.3Å; I165-L169 WeakPolarHBondContact O-CG 3.46Å; I165-L169 PolarHBondContact O-N 3.27Å; I165-L188 HydrophobicContact CG1-CD1 4.22Å; I165-F450 HydrophobicContact CD1-CD2 4.13Å; I165-F450 HydrophobicContact CD1-CE1 4.49Å; I165-F450 HydrophobicContact CD1-CE2 3.88Å; I165-F450 HydrophobicContact CD1-CZ 4.06Å; I165-F450 HydrophobicContact CG1-CE2 4.08Å; I165-F450 HydrophobicContact CG1-CZ 4.14Å; I165-V453 HydrophobicContact CD1-CB 3.93Å; I165-V453 HydrophobicContact CD1-CG1 3.62Å; I165-L454 HydrophobicContact CD1-CB 4.15Å; I165-L454 HydrophobicContact CG2-CD1 3.94Å; I165-E457 HydrophobicContact CG2-CB 3.83Å; I165-E457 HydrophobicContact CG2-CG 3.94Å
166Q92.5Very high92.2Very high51 Ų5145.2 Ų45.224%0.23825%0.25CS..Hα-helixtrans-60.6-45.8179-74.5174.7-16.100112.4Q162 L163 T168 L169 R170 E457Q162-Q166 HydrophobicContact CG-CG 4.37Å; Q162-Q166 WeakPolarHBondContact O-CB 3.26Å; Q162-Q166 WeakPolarHBondContact O-CG 3.3Å; Q162-Q166 PolarHBondContact O-N 2.77Å; L163-Q166 PolarHBondContact O-N 3.23Å; Q166-T168 VanDerWaalsContact C-N 3.26Å; Q166-T168 PolarHBondContact O-N 3.13Å; Q166-L169 PolarHBondContact O-N 3.48Å; Q166-R170 WeakPolarHBondContact O-CB 3.33Å; Q166-R170 WeakPolarHBondContact O-CG 3.38Å; Q166-R170 PolarHBondContact O-N 3.49Å; Q166-E457 HydrophobicContact CG-CG 4.2Å; Q166-E457 WeakPolarHBondContact CG-OE2 3.45Å; Q166-E457 PolarHBondContact NE2-OE1 3.21Å; Q166-E457 PolarHBondContact NE2-OE2 3.4Å
167D91.1Very high92.3Very high71 Ų7149.7 Ų49.738%0.3827%0.266SS..Hα-helixtrans-57.4-43174.6-75.8-26.7000111L163 I165 R170 A171L163-D167 WeakPolarHBondContact O-CB 3.33Å; L163-D167 PolarHBondContact O-N 3.23Å; I165-D167 PolarHBondContact O-N 3.05Å; D167-R170 PolarHBondContact O-N 3.24Å; D167-R170 IonicContact OD1-CZ 2.86Å; D167-R170 VanDerWaalsContact OD1-CZ 3.22Å; D167-R170 IonicContact OD1-NH1 3.86Å; D167-R170 PolarHBondContact OD1-NH1 2.77Å; D167-R170 IonicContact OD1-NH2 3.34Å; D167-R170 PolarHBondContact OD1-NH2 3.48Å; D167-A171 WeakPolarHBondContact O-CB 3.34Å; D167-A171 PolarHBondContact O-N 3.38Å
168T93.6Very high92.4Very high8 Ų851.4 Ų51.45%0.04928%0.281CS..Hα-helixtrans-68.2-45.6-179.2-61.70000111.8V164 I165 Q166 R170 A171 W172 L188V164-T168 WeakPolarHBondContact O-CB 3.46Å; V164-T168 PolarHBondContact O-N 2.86Å; V164-T168 VanDerWaalsContact O-N 3.16Å; V164-T168 PolarHBondContact O-OG1 3.49Å; I165-T168 WeakPolarHBondContact O-CB 3.15Å; I165-T168 PolarHBondContact O-N 3.1Å; I165-T168 VanDerWaalsContact O-N 3.16Å; Q166-T168 VanDerWaalsContact C-N 3.26Å; Q166-T168 PolarHBondContact O-N 3.13Å; T168-R170 VanDerWaalsContact C-N 3.32Å; T168-R170 PolarHBondContact O-N 3.2Å; T168-A171 WeakPolarHBondContact O-CB 3.17Å; T168-A171 PolarHBondContact O-N 2.86Å; T168-W172 HydrophobicContact CG2-CD2 4.08Å; T168-W172 HydrophobicContact CG2-CG 4.47Å; T168-W172 HydrophobicContact CG2-CH2 4.39Å; T168-W172 HydrophobicContact CG2-CZ2 3.57Å; T168-W172 VanDerWaalsContact O-CD1 3.31Å; T168-W172 VanDerWaalsContact O-CG 3.29Å; T168-W172 PolarHBondContact O-N 3.5Å; T168-L188 HydrophobicContact CG2-CB 4.15Å; T168-L188 HydrophobicContact CG2-CD1 4.16Å; T168-L188 HydrophobicContact CG2-CD2 4.24Å; T168-L188 HydrophobicContact CG2-CG 4.38Å; T168-L188 WeakPolarHBondContact OG1-CD1 3.26Å
169L93.8Very high92.6Very high4 Ų452 Ų522%0.02128%0.284CS..Hα-helixtrans-64.9-37.3177.5-67.6-178.9000111.7I165 Q166 W172 S173 L454 E457 L458I165-L169 HydrophobicContact CG2-CD1 4.02Å; I165-L169 HydrophobicContact CG2-CG 4.3Å; I165-L169 WeakPolarHBondContact O-CG 3.46Å; I165-L169 PolarHBondContact O-N 3.27Å; Q166-L169 PolarHBondContact O-N 3.48Å; L169-W172 HydrophobicContact CD2-CD2 4.47Å; L169-W172 HydrophobicContact CD2-CE3 3.63Å; L169-W172 HydrophobicContact CD2-CZ3 3.82Å; L169-W172 PolarHBondContact O-N 2.99Å; L169-S173 WeakPolarHBondContact O-CB 3.36Å; L169-S173 PolarHBondContact O-N 3.25Å; L169-S173 PolarHBondContact O-OG 2.68Å; L169-L454 HydrophobicContact CD2-CD1 4.45Å; L169-E457 HydrophobicContact CD1-CB 3.6Å; L169-L458 HydrophobicContact CD1-CD2 4.33Å; L169-L458 HydrophobicContact CD1-CG 4.32Å; L169-L458 HydrophobicContact CD2-CD2 3.6Å; L169-L458 HydrophobicContact CD2-CG 4.25Å
170R91.6Very high92.8Very high139 Ų13952.1 Ų52.153%0.52528%0.282SS..Hα-helixtrans-58.8-48.3170.6-81.4-175.2-85.1134.2-5.8111.1Q166 D167 T168 W172 S173 S174Q166-R170 WeakPolarHBondContact O-CB 3.33Å; Q166-R170 WeakPolarHBondContact O-CG 3.38Å; Q166-R170 PolarHBondContact O-N 3.49Å; D167-R170 PolarHBondContact O-N 3.24Å; D167-R170 IonicContact OD1-CZ 2.86Å; D167-R170 VanDerWaalsContact OD1-CZ 3.22Å; D167-R170 IonicContact OD1-NH1 3.86Å; D167-R170 PolarHBondContact OD1-NH1 2.77Å; D167-R170 IonicContact OD1-NH2 3.34Å; D167-R170 PolarHBondContact OD1-NH2 3.48Å; T168-R170 VanDerWaalsContact C-N 3.32Å; T168-R170 PolarHBondContact O-N 3.2Å; R170-W172 VanDerWaalsContact C-N 3.34Å; R170-W172 PolarHBondContact O-N 3.4Å; R170-S173 PolarHBondContact O-N 2.79Å; R170-S174 PolarHBondContact O-N 3.1Å; R170-S174 PolarHBondContact O-OG 2.98Å
171A91.3Very high93.2Very high52 Ų5248.5 Ų48.543%0.4327%0.266SS..Hα-helixtrans-62.2-38.3178.300000113.3D167 T168 S174 H175D167-A171 WeakPolarHBondContact O-CB 3.34Å; D167-A171 PolarHBondContact O-N 3.38Å; T168-A171 WeakPolarHBondContact O-CB 3.17Å; T168-A171 PolarHBondContact O-N 2.86Å; A171-S174 PolarHBondContact O-N 3.34Å; A171-H175 PolarHBondContact O-N 3.45Å; A171-H175 PolarHBondContact O-ND1 2.94Å
172W94.5Very high93.3Very high7 Ų749.6 Ų49.63%0.02727%0.27CS..Hα-helixtrans-66.1-43175-66.3-3.4000111.7T168 L169 R170 S174 H175 I179 E184 I309 F490T168-W172 HydrophobicContact CG2-CD2 4.08Å; T168-W172 HydrophobicContact CG2-CG 4.47Å; T168-W172 HydrophobicContact CG2-CH2 4.39Å; T168-W172 HydrophobicContact CG2-CZ2 3.57Å; T168-W172 VanDerWaalsContact O-CD1 3.31Å; T168-W172 VanDerWaalsContact O-CG 3.29Å; T168-W172 PolarHBondContact O-N 3.5Å; L169-W172 HydrophobicContact CD2-CD2 4.47Å; L169-W172 HydrophobicContact CD2-CE3 3.63Å; L169-W172 HydrophobicContact CD2-CZ3 3.82Å; L169-W172 PolarHBondContact O-N 2.99Å; R170-W172 VanDerWaalsContact C-N 3.34Å; R170-W172 PolarHBondContact O-N 3.4Å; W172-S174 VanDerWaalsContact C-N 3.31Å; W172-S174 PolarHBondContact O-N 2.86Å; W172-H175 WeakPolarHBondContact O-CB 3.42Å; W172-H175 PolarHBondContact O-N 2.79Å; W172-I179 HydrophobicContact CB-CD1 3.92Å; W172-I179 HydrophobicContact CD2-CD1 3.5Å; W172-I179 HydrophobicContact CE3-CD1 4.02Å; W172-I179 HydrophobicContact CG-CD1 3.44Å; W172-I179 VanDerWaalsContact CG-CD1 3.44Å; W172-E184 HydrophobicContact CZ2-CB 3.54Å; W172-E184 PolarHBondContact NE1-OE2 3.45Å; W172-I309 HydrophobicContact CH2-CD1 4.37Å; W172-I309 HydrophobicContact CZ3-CD1 4.01Å; W172-F490 HydrophobicContact CB-CB 4.14Å; W172-F490 HydrophobicContact CB-CD2 4.13Å; W172-F490 HydrophobicContact CB-CG 4.02Å; W172-F490 HydrophobicContact CE3-CD1 4.19Å; W172-F490 HydrophobicContact CE3-CD2 4.26Å; W172-F490 AromaticContact CE3-CE1 3.76Å; W172-F490 HydrophobicContact CE3-CE1 3.76Å; W172-F490 AromaticContact CE3-CE2 3.81Å; W172-F490 HydrophobicContact CE3-CE2 3.81Å; W172-F490 HydrophobicContact CE3-CG 4.44Å; W172-F490 AromaticContact CE3-CZ 3.55Å; W172-F490 HydrophobicContact CE3-CZ 3.55Å; W172-F490 HydrophobicContact CZ3-CE1 4.18Å; W172-F490 HydrophobicContact CZ3-CE2 4.36Å; W172-F490 AromaticContact CZ3-CZ 3.81Å; W172-F490 HydrophobicContact CZ3-CZ 3.81Å
173S90.6Very high93.4Very high25 Ų2553 Ų5318%0.17529%0.286CS..Hα-helixtrans-70.2-24.9178.2-71.10000113.8L169 R170 H175 G492L169-S173 WeakPolarHBondContact O-CB 3.36Å; L169-S173 PolarHBondContact O-N 3.25Å; L169-S173 PolarHBondContact O-OG 2.68Å; R170-S173 PolarHBondContact O-N 2.79Å; S173-H175 VanDerWaalsContact C-N 3.32Å; S173-G492 PolarHBondContact OG-N 3.25Å
174S89Confident93.7Very high101 Ų10150.2 Ų50.271%0.70627%0.271SS*.THydrogen-bonded Turntrans-81.5-9.5173.4-58.70000113.4R170 A171 W172R170-S174 PolarHBondContact O-N 3.1Å; R170-S174 PolarHBondContact O-OG 2.98Å; A171-S174 PolarHBondContact O-N 3.34Å; W172-S174 VanDerWaalsContact C-N 3.31Å; W172-S174 PolarHBondContact O-N 2.86Å
175H88.3Confident93.9Very high108 Ų10849.6 Ų49.650%0.527%0.267SS..  trans-75128.6176.2-105.268000110.7A171 W172 S173 E177 I179A171-H175 PolarHBondContact O-N 3.45Å; A171-H175 PolarHBondContact O-ND1 2.94Å; W172-H175 WeakPolarHBondContact O-CB 3.42Å; W172-H175 PolarHBondContact O-N 2.79Å; S173-H175 VanDerWaalsContact C-N 3.32Å; H175-E177 VanDerWaalsContact C-N 3.28Å; H175-E177 PolarHBondContact O-N 3.48Å; H175-I179 HydrophobicContact CB-CG2 4.22Å
176P84.9Confident94Very high95 Ų9550.6 Ų50.662%0.61727%0.272SS*.SBendtrans-69.5-28.6-179.926.3-33.1000112.6K489P176-K489 VanDerWaalsContact O-CE 3.28Å; P176-K489 WeakPolarHBondContact O-CE 3.22Å; P176-K489 PolarHBondContact O-NZ 3.49Å
177E93.6Very high94.2Very high134 Ų13450.9 Ų50.963%0.62627%0.272SS*.SBendtrans-107164.5-175.1-64.2-54.5134.200112.4H175H175-E177 VanDerWaalsContact C-N 3.28Å; H175-E177 PolarHBondContact O-N 3.48Å
178A96.4Very high94.5Very high37 Ų3747.5 Ų47.531%0.30625%0.254SS..  trans-64.9145.5173.400000111.7A467 S487 V488 K489A178-A467 HydrophobicContact CB-CB 3.33Å; A178-S487 WeakPolarHBondContact CB-OG 3.37Å; A178-V488 WeakPolarHBondContact CA-O 3.37Å; A178-K489 HydrophobicContact CB-CB 4.42Å
179I97.5Very high94.6Very high15 Ų1547.1 Ų47.18%0.07725%0.252CS..EExtended strand (participates in β ladder)trans-110.2154.9-179.961.7162.6000111.7W172 H175 V181 E184 S487 V488 F490W172-I179 HydrophobicContact CB-CD1 3.92Å; W172-I179 HydrophobicContact CD2-CD1 3.5Å; W172-I179 HydrophobicContact CE3-CD1 4.02Å; W172-I179 HydrophobicContact CG-CD1 3.44Å; W172-I179 VanDerWaalsContact CG-CD1 3.44Å; H175-I179 HydrophobicContact CB-CG2 4.22Å; I179-V181 HydrophobicContact CG1-CG2 4.47Å; I179-V181 PolarHBondContact O-N 3.01Å; I179-E184 HydrophobicContact CB-CG 4.24Å; I179-E184 HydrophobicContact CD1-CB 4.19Å; I179-E184 HydrophobicContact CD1-CG 3.94Å; I179-S487 WeakPolarHBondContact O-CA 3.34Å; I179-V488 WeakPolarHBondContact CG1-O 3.24Å; I179-V488 PolarHBondContact N-O 2.89Å; I179-V488 PolarHBondContact O-N 2.87Å; I179-F490 HydrophobicContact CD1-CD2 3.82Å; I179-F490 HydrophobicContact CD1-CE2 3.71Å; I179-F490 HydrophobicContact CG1-CD2 3.96Å; I179-F490 HydrophobicContact CG1-CE2 3.94Å
180N97.9Very high94.8Very high54 Ų5447 Ų4729%0.28925%0.251SS..EExtended strand (participates in β ladder)trans-79.4101.4167.2-174.5-55.1000109.5Y182 Q183 E184 D484 G485N180-Y182 VanDerWaalsContact C-N 3.3Å; N180-Y182 PolarHBondContact O-N 2.91Å; N180-Y182 PolarHBondContact OD1-N 2.75Å; N180-Q183 HydrophobicContact CB-CB 4.12Å; N180-Q183 PolarHBondContact O-N 3.44Å; N180-Q183 WeakPolarHBondContact OD1-CB 3.42Å; N180-Q183 PolarHBondContact OD1-N 3.39Å; N180-E184 WeakPolarHBondContact O-CB 3.4Å; N180-E184 WeakPolarHBondContact O-CG 3.32Å; N180-E184 PolarHBondContact O-N 3.39Å; N180-D484 PolarHBondContact ND2-O 2.86Å; N180-G485 WeakPolarHBondContact OD1-CA 3.44Å; N180-G485 PolarHBondContact OD1-O 3.34Å
181V98.3Very high94.9Very high0 Ų043.4 Ų43.40%024%0.237CC..Hα-helixtrans-61.9-35.9-173.4173.10000112.4I179 A185 T306 I309 G485 L486 V488 F490I179-V181 HydrophobicContact CG1-CG2 4.47Å; I179-V181 PolarHBondContact O-N 3.01Å; V181-A185 WeakPolarHBondContact O-CB 3.36Å; V181-A185 PolarHBondContact O-N 3.2Å; V181-T306 HydrophobicContact CB-CG2 4.46Å; V181-T306 HydrophobicContact CG1-CG2 4.03Å; V181-I309 HydrophobicContact CG1-CB 4.4Å; V181-I309 HydrophobicContact CG1-CD1 3.53Å; V181-I309 HydrophobicContact CG1-CG2 4.35Å; V181-G485 PolarHBondContact N-O 2.89Å; V181-G485 VanDerWaalsContact N-O 3.11Å; V181-L486 HydrophobicContact CB-CB 4.34Å; V181-L486 HydrophobicContact CB-CD2 4.17Å; V181-L486 HydrophobicContact CB-CG 4.49Å; V181-L486 WeakPolarHBondContact CB-O 3.35Å; V181-L486 HydrophobicContact CG1-CD2 4.27Å; V181-L486 HydrophobicContact CG2-CD2 4.36Å; V181-L486 WeakPolarHBondContact CG2-O 3.28Å; V181-L486 PolarHBondContact N-O 2.79Å; V181-V488 HydrophobicContact CG2-CB 3.62Å; V181-V488 HydrophobicContact CG2-CG2 3.53Å; V181-F490 HydrophobicContact CG2-CE2 3.95Å; V181-F490 HydrophobicContact CG2-CZ 4.3Å
182Y98.1Very high95.1Very high23 Ų2341 Ų419%0.0922%0.217CC..Hα-helixtrans-67.3-45.5179.8-177.4-122.3000112.3N180 E184 A185 Q186 A302 T306 H481 G485N180-Y182 VanDerWaalsContact C-N 3.3Å; N180-Y182 PolarHBondContact O-N 2.91Å; N180-Y182 PolarHBondContact OD1-N 2.75Å; Y182-E184 VanDerWaalsContact C-N 3.35Å; Y182-A185 PolarHBondContact O-N 3.27Å; Y182-Q186 HydrophobicContact CE2-CG 4.42Å; Y182-Q186 WeakPolarHBondContact O-CG 3.15Å; Y182-Q186 PolarHBondContact O-N 3.2Å; Y182-Q186 PolarHBondContact OH-NE2 2.94Å; Y182-A302 HydrophobicContact CE2-CB 4.3Å; Y182-T306 WeakPolarHBondContact CA-OG1 3.21Å; Y182-H481 HydrophobicContact CD1-CB 3.99Å; Y182-H481 AromaticContact CD1-CD2 3.66Å; Y182-H481 AromaticContact CD1-CG 3.95Å; Y182-H481 HydrophobicContact CD2-CB 3.73Å; Y182-H481 HydrophobicContact CE1-CB 3.8Å; Y182-H481 AromaticContact CE1-CD2 3.38Å; Y182-H481 WeakPolarHBondContact CE1-CD2 3.14Å; Y182-H481 AromaticContact CE1-CG 3.47Å; Y182-H481 VanDerWaalsContact CE1-CG 3.47Å; Y182-H481 AromaticContact CE1-ND1 3.97Å; Y182-H481 AromaticContact CE1-NE2 3.87Å; Y182-H481 HydrophobicContact CE2-CB 3.54Å; Y182-H481 HydrophobicContact CG-CB 3.96Å; Y182-H481 AromaticContact CZ-CD2 3.97Å; Y182-H481 AromaticContact CZ-CG 3.54Å; Y182-H481 AromaticContact CZ-ND1 3.84Å; Y182-G485 PolarHBondContact N-O 2.94Å
183Q96.9Very high95.1Very high81 Ų8140.7 Ų40.738%0.37922%0.216SC..Hα-helixtrans-64.7-40.2176.5-172.6179.57.400111.5N180 Q186 K187N180-Q183 HydrophobicContact CB-CB 4.12Å; N180-Q183 PolarHBondContact O-N 3.44Å; N180-Q183 WeakPolarHBondContact OD1-CB 3.42Å; N180-Q183 PolarHBondContact OD1-N 3.39Å; Q183-Q186 WeakPolarHBondContact O-CB 3.11Å; Q183-Q186 PolarHBondContact O-N 2.9Å; Q183-K187 PolarHBondContact O-N 3.05Å
184E97.5Very high95.3Very high36 Ų3639.6 Ų39.617%0.16821%0.208CC..Hα-helixtrans-71.1-36.4177.4-71.5-56.3126.400112.5W172 I179 N180 Y182 Q186 K187 L188W172-E184 HydrophobicContact CZ2-CB 3.54Å; W172-E184 PolarHBondContact NE1-OE2 3.45Å; I179-E184 HydrophobicContact CB-CG 4.24Å; I179-E184 HydrophobicContact CD1-CB 4.19Å; I179-E184 HydrophobicContact CD1-CG 3.94Å; N180-E184 WeakPolarHBondContact O-CB 3.4Å; N180-E184 WeakPolarHBondContact O-CG 3.32Å; N180-E184 PolarHBondContact O-N 3.39Å; Y182-E184 VanDerWaalsContact C-N 3.35Å; E184-Q186 VanDerWaalsContact C-N 3.29Å; E184-Q186 PolarHBondContact O-N 2.95Å; E184-K187 PolarHBondContact O-N 3.35Å; E184-K187 WeakPolarHBondContact OE1-CD 3.24Å; E184-K187 WeakPolarHBondContact OE1-CE 3.42Å; E184-K187 IonicContact OE1-NZ 2.66Å; E184-K187 PolarHBondContact OE1-NZ 3.47Å; E184-L188 WeakPolarHBondContact O-CB 3.45Å; E184-L188 PolarHBondContact O-N 2.87Å
185A98.3Very high95.4Very high0 Ų038.6 Ų38.60%019%0.189CC..Hα-helixtrans-65.1-33.7171.900000112V181 Y182 L188 T189 A302V181-A185 WeakPolarHBondContact O-CB 3.36Å; V181-A185 PolarHBondContact O-N 3.2Å; Y182-A185 PolarHBondContact O-N 3.27Å; A185-L188 PolarHBondContact O-N 2.99Å; A185-T189 WeakPolarHBondContact O-CB 3.46Å; A185-T189 VanDerWaalsContact O-CG2 3.26Å; A185-T189 WeakPolarHBondContact O-CG2 3.45Å; A185-T189 PolarHBondContact O-N 3.36Å; A185-T189 PolarHBondContact O-OG1 3.19Å; A185-A302 HydrophobicContact CB-CB 4.03Å
186Q97.8Very high95.5Very high22 Ų2233.5 Ų33.510%0.10317%0.165CC..Hα-helixtrans-63-45.5170.7-81.5-178.8-21.700111.6Y182 Q183 E184 T189 F190 F211 Y298 A302Y182-Q186 HydrophobicContact CE2-CG 4.42Å; Y182-Q186 WeakPolarHBondContact O-CG 3.15Å; Y182-Q186 PolarHBondContact O-N 3.2Å; Y182-Q186 PolarHBondContact OH-NE2 2.94Å; Q183-Q186 WeakPolarHBondContact O-CB 3.11Å; Q183-Q186 PolarHBondContact O-N 2.9Å; E184-Q186 VanDerWaalsContact C-N 3.29Å; E184-Q186 PolarHBondContact O-N 2.95Å; Q186-T189 PolarHBondContact O-N 3.16Å; Q186-T189 PolarHBondContact O-OG1 2.97Å; Q186-T189 VanDerWaalsContact O-OG1 3.06Å; Q186-F190 VanDerWaalsContact O-CB 3.31Å; Q186-F190 WeakPolarHBondContact O-CB 3.33Å; Q186-F190 PolarHBondContact O-N 2.94Å; Q186-F211 HydrophobicContact CB-CE2 4.33Å; Q186-F211 HydrophobicContact CB-CZ 4.13Å; Q186-Y298 HydrophobicContact CB-CD2 4.43Å; Q186-Y298 HydrophobicContact CB-CE2 3.52Å; Q186-Y298 HydrophobicContact CG-CE1 4.32Å; Q186-Y298 HydrophobicContact CG-CE2 3.84Å; Q186-Y298 VanDerWaalsContact O-CE2 3.32Å; Q186-Y298 WeakPolarHBondContact O-CE2 3.33Å; Q186-Y298 PolarHBondContact OE1-OH 3.47Å; Q186-A302 HydrophobicContact CB-CB 4.42Å; Q186-A302 HydrophobicContact CG-CB 3.79Å
187K96.6Very high95.9Very high56 Ų5629.1 Ų29.124%0.24314%0.137CC..Hα-helixtrans-60.7-48.3174.3-69.2176-172.6167.90111.2Q183 E184 T189 F190 R191 F211Q183-K187 PolarHBondContact O-N 3.05Å; E184-K187 PolarHBondContact O-N 3.35Å; E184-K187 WeakPolarHBondContact OE1-CD 3.24Å; E184-K187 WeakPolarHBondContact OE1-CE 3.42Å; E184-K187 IonicContact OE1-NZ 2.66Å; E184-K187 PolarHBondContact OE1-NZ 3.47Å; K187-T189 PolarHBondContact O-N 3.45Å; K187-F190 PolarHBondContact O-N 2.8Å; K187-R191 WeakPolarHBondContact O-CG 3.29Å; K187-R191 PolarHBondContact O-N 3.39Å; K187-F211 HydrophobicContact CB-CE2 4.27Å; K187-F211 HydrophobicContact CB-CZ 4.33Å; K187-F211 HydrophobicContact CD-CE1 4.46Å; K187-F211 HydrophobicContact CG-CD1 4.16Å; K187-F211 HydrophobicContact CG-CD2 4.3Å; K187-F211 HydrophobicContact CG-CE1 3.63Å; K187-F211 HydrophobicContact CG-CE2 3.76Å; K187-F211 HydrophobicContact CG-CG 4.46Å; K187-F211 HydrophobicContact CG-CZ 3.41Å; K187-F211 VanDerWaalsContact CG-CZ 3.41Å
188L97.1Very high96Very high1 Ų122.8 Ų22.81%0.00511%0.107CC..Hα-helixtrans-54.5-50178169.257.6000112.3V164 I165 T168 E184 A185 R191 M192 F450V164-L188 HydrophobicContact CG1-CD1 3.74Å; I165-L188 HydrophobicContact CG1-CD1 4.22Å; T168-L188 HydrophobicContact CG2-CB 4.15Å; T168-L188 HydrophobicContact CG2-CD1 4.16Å; T168-L188 HydrophobicContact CG2-CD2 4.24Å; T168-L188 HydrophobicContact CG2-CG 4.38Å; T168-L188 WeakPolarHBondContact OG1-CD1 3.26Å; E184-L188 WeakPolarHBondContact O-CB 3.45Å; E184-L188 PolarHBondContact O-N 2.87Å; A185-L188 PolarHBondContact O-N 2.99Å; L188-R191 PolarHBondContact O-N 3.01Å; L188-M192 WeakPolarHBondContact O-CB 3.14Å; L188-M192 PolarHBondContact O-N 2.65Å; L188-F450 HydrophobicContact CD1-CZ 4.31Å; L188-F450 HydrophobicContact CD2-CE1 4.43Å; L188-F450 HydrophobicContact CD2-CZ 3.78Å; L188-F450 HydrophobicContact CG-CZ 3.83Å
189T97.3Very high95.7Very high0 Ų022 Ų220%010%0.103CC..Hα-helixtrans-70.7-33.3-17852.90000112.5A185 Q186 K187 M192 A193 Y298 T301 A302 F450A185-T189 WeakPolarHBondContact O-CB 3.46Å; A185-T189 VanDerWaalsContact O-CG2 3.26Å; A185-T189 WeakPolarHBondContact O-CG2 3.45Å; A185-T189 PolarHBondContact O-N 3.36Å; A185-T189 PolarHBondContact O-OG1 3.19Å; Q186-T189 PolarHBondContact O-N 3.16Å; Q186-T189 PolarHBondContact O-OG1 2.97Å; Q186-T189 VanDerWaalsContact O-OG1 3.06Å; K187-T189 PolarHBondContact O-N 3.45Å; T189-M192 PolarHBondContact O-N 2.92Å; T189-A193 PolarHBondContact O-N 2.96Å; T189-Y298 PolarHBondContact OG1-O 3.42Å; T189-T301 HydrophobicContact CG2-CG2 3.77Å; T189-A302 HydrophobicContact CG2-CB 4.33Å; T189-F450 HydrophobicContact CG2-CE1 4.35Å; T189-F450 HydrophobicContact CG2-CZ 4.17Å
190F96.6Very high95.4Very high2 Ų221.8 Ų21.81%0.00910%0.101CC..Hα-helixtrans-63.5-48.6170.1-178.7-103.5000111.7Q186 K187 M192 A193 I194 L207 L210 F211 Y214 I294 Y298Q186-F190 VanDerWaalsContact O-CB 3.31Å; Q186-F190 WeakPolarHBondContact O-CB 3.33Å; Q186-F190 PolarHBondContact O-N 2.94Å; K187-F190 PolarHBondContact O-N 2.8Å; F190-M192 VanDerWaalsContact C-N 3.31Å; F190-M192 PolarHBondContact O-N 3.18Å; F190-A193 PolarHBondContact O-N 3.4Å; F190-I194 HydrophobicContact CD1-CG1 4.36Å; F190-I194 HydrophobicContact CE1-CG1 3.97Å; F190-I194 HydrophobicContact CE2-CD1 4.29Å; F190-I194 HydrophobicContact CE2-CG1 4.2Å; F190-I194 HydrophobicContact CZ-CD1 4.05Å; F190-I194 HydrophobicContact CZ-CG1 3.86Å; F190-I194 WeakPolarHBondContact O-CG1 3.07Å; F190-I194 PolarHBondContact O-N 2.99Å; F190-L207 HydrophobicContact CD1-CD1 4.35Å; F190-L207 HydrophobicContact CE1-CD1 3.76Å; F190-L207 HydrophobicContact CE1-CG 4.44Å; F190-L210 HydrophobicContact CE1-CD2 4.39Å; F190-L210 HydrophobicContact CE1-CG 4.44Å; F190-L210 HydrophobicContact CZ-CD2 3.93Å; F190-L210 HydrophobicContact CZ-CG 3.89Å; F190-F211 HydrophobicContact CB-CD2 3.86Å; F190-F211 HydrophobicContact CB-CE2 4.07Å; F190-F211 HydrophobicContact CD1-CB 4.1Å; F190-F211 AromaticContact CD1-CD2 3.71Å; F190-F211 HydrophobicContact CD1-CD2 3.71Å; F190-F211 HydrophobicContact CD1-CG 4.4Å; F190-F211 HydrophobicContact CD2-CD2 4.47Å; F190-F211 HydrophobicContact CE1-CB 4.02Å; F190-F211 HydrophobicContact CE1-CD2 4.38Å; F190-F211 AromaticContact CG-CD2 3.76Å; F190-F211 HydrophobicContact CG-CD2 3.76Å; F190-F211 HydrophobicContact CG-CE2 4.43Å; F190-Y214 AromaticContact CD2-CD1 3.63Å; F190-Y214 HydrophobicContact CD2-CD1 3.63Å; F190-Y214 AromaticContact CD2-CE1 3.95Å; F190-Y214 HydrophobicContact CD2-CE1 3.95Å; F190-Y214 AromaticContact CD2-CG 3.99Å; F190-Y214 HydrophobicContact CD2-CG 3.99Å; F190-Y214 AromaticContact CE2-CD1 3.73Å; F190-Y214 HydrophobicContact CE2-CD1 3.73Å; F190-Y214 HydrophobicContact CE2-CD2 4.06Å; F190-Y214 HydrophobicContact CE2-CE1 4.32Å; F190-Y214 AromaticContact CE2-CG 3.58Å; F190-Y214 HydrophobicContact CE2-CG 3.58Å; F190-Y214 HydrophobicContact CZ-CG 4.47Å; F190-I294 HydrophobicContact CD2-CG2 3.68Å; F190-I294 HydrophobicContact CE2-CG2 3.78Å; F190-Y298 HydrophobicContact CB-CD2 4.09Å; F190-Y298 HydrophobicContact CB-CE2 4.29Å
191R94.6Very high94.7Very high62 Ų6225.2 Ų25.223%0.23413%0.13CC..Hα-helixtrans-58.2-42.8175-68.5-162.6-178.6109.5-2.7111.6V164 K187 L188 I194 R195 E204 L207V164-R191 HydrophobicContact CG1-CB 4.46Å; K187-R191 WeakPolarHBondContact O-CG 3.29Å; K187-R191 PolarHBondContact O-N 3.39Å; L188-R191 PolarHBondContact O-N 3.01Å; R191-I194 PolarHBondContact O-N 2.93Å; R191-R195 WeakPolarHBondContact O-CB 3.34Å; R191-R195 PolarHBondContact O-N 3.35Å; R191-E204 IonicContact CZ-OE1 3.76Å; R191-E204 IonicContact NE-OE1 2.84Å; R191-E204 PolarHBondContact NE-OE1 3.37Å; R191-E204 IonicContact NH2-OE1 2.61Å; R191-E204 PolarHBondContact NH2-OE1 3.17Å; R191-L207 HydrophobicContact CG-CD2 3.74Å
192M94.8Very high94Very high2 Ų227 Ų271%0.0114%0.139CC..Hα-helixtrans-59.9-45.9175.9-179.6-86.6-80.700111.5L188 T189 F190 I194 V196 L197 F450L188-M192 WeakPolarHBondContact O-CB 3.14Å; L188-M192 PolarHBondContact O-N 2.65Å; T189-M192 PolarHBondContact O-N 2.92Å; F190-M192 VanDerWaalsContact C-N 3.31Å; F190-M192 PolarHBondContact O-N 3.18Å; M192-I194 PolarHBondContact O-N 3.34Å; M192-V196 HydrophobicContact CG-CB 4.31Å; M192-V196 HydrophobicContact CG-CG2 4.11Å; M192-V196 WeakPolarHBondContact O-CA 3.37Å; M192-V196 WeakPolarHBondContact O-CB 3.4Å; M192-V196 PolarHBondContact O-N 3.27Å; M192-L197 PolarHBondContact O-N 3.45Å; M192-L197 HydrophobicContact SD-CD1 4.11Å; M192-L197 HydrophobicContact SD-CD2 4.36Å; M192-L197 HydrophobicContact SD-CG 3.97Å; M192-F450 HydrophobicContact CB-CE2 4.21Å; M192-F450 HydrophobicContact CE-CD2 3.73Å; M192-F450 HydrophobicContact CE-CE2 4.07Å; M192-F450 HydrophobicContact CE-CG 4.42Å; M192-F450 HydrophobicContact CG-CD2 4.15Å; M192-F450 HydrophobicContact CG-CE2 4Å
193A95.8Very high93.3Very high0 Ų028.9 Ų28.90%015%0.154CC..Iπ-helixtrans-60.6-48177.200000111.8T189 F190 L197 L198 I294T189-A193 PolarHBondContact O-N 2.96Å; F190-A193 PolarHBondContact O-N 3.4Å; A193-L197 HydrophobicContact CB-CD1 4.4Å; A193-L197 WeakPolarHBondContact O-CB 3.47Å; A193-L197 PolarHBondContact O-N 3.46Å; A193-L198 WeakPolarHBondContact O-CG 3.36Å; A193-L198 PolarHBondContact O-N 3.47Å; A193-L198 VanDerWaalsContact O-N 3.08Å; A193-I294 HydrophobicContact CB-CB 4.41Å; A193-I294 HydrophobicContact CB-CG1 4.17Å; A193-I294 HydrophobicContact CB-CG2 4.3Å
194I93.9Very high92.5Very high3 Ų329 Ų292%0.01516%0.155CC..Iπ-helixtrans-64.7-50.7-178.9-64.5-64.9000112.2F190 R191 M192 L198 G199 F200 I202 L207 L210 I294F190-I194 HydrophobicContact CD1-CG1 4.36Å; F190-I194 HydrophobicContact CE1-CG1 3.97Å; F190-I194 HydrophobicContact CE2-CD1 4.29Å; F190-I194 HydrophobicContact CE2-CG1 4.2Å; F190-I194 HydrophobicContact CZ-CD1 4.05Å; F190-I194 HydrophobicContact CZ-CG1 3.86Å; F190-I194 WeakPolarHBondContact O-CG1 3.07Å; F190-I194 PolarHBondContact O-N 2.99Å; R191-I194 PolarHBondContact O-N 2.93Å; M192-I194 PolarHBondContact O-N 3.34Å; I194-L198 HydrophobicContact CD1-CD1 4.14Å; I194-L198 WeakPolarHBondContact O-CB 3.38Å; I194-G199 PolarHBondContact O-N 3.33Å; I194-F200 HydrophobicContact CG2-CB 4.03Å; I194-F200 PolarHBondContact O-N 2.86Å; I194-I202 HydrophobicContact CG2-CD1 3.69Å; I194-I202 HydrophobicContact CG2-CG1 4.07Å; I194-L207 HydrophobicContact CG1-CD1 4.38Å; I194-L207 HydrophobicContact CG2-CD1 4.22Å; I194-L210 HydrophobicContact CD1-CD2 4.38Å; I194-I294 HydrophobicContact CD1-CD1 3.77Å; I194-I294 HydrophobicContact CD1-CG1 4.44Å
195R90.7Very high91.8Very high79 Ų7935.2 Ų35.230%0.29818%0.184SC..Iπ-helixtrans-84.4-37.3-171.7-67.9-171.2173.5167.44.9113.6R191 G199 E204 Y263R191-R195 WeakPolarHBondContact O-CB 3.34Å; R191-R195 PolarHBondContact O-N 3.35Å; R195-G199 WeakPolarHBondContact O-CA 3.49Å; R195-E204 IonicContact CZ-OE2 3.13Å; R195-E204 IonicContact NH1-OE2 2.83Å; R195-E204 IonicContact NH2-OE2 3.76Å; R195-E204 PolarHBondContact NH2-OE2 2.95Å; R195-Y263 PolarHBondContact O-OH 2.79Å
196V91.3Very high91.2Very high1 Ų139.5 Ų39.51%0.00621%0.207CC..Iπ-helixtrans-94.3-50.4-173.7-172.20000111Y157 K160 I161 V164 M192 D265Y157-V196 HydrophobicContact CG-CG1 4.24Å; K160-V196 HydrophobicContact CB-CG1 4.14Å; K160-V196 HydrophobicContact CB-CG2 3.92Å; I161-V196 HydrophobicContact CG1-CG1 3.97Å; V164-V196 HydrophobicContact CG2-CG2 4.23Å; M192-V196 HydrophobicContact CG-CB 4.31Å; M192-V196 HydrophobicContact CG-CG2 4.11Å; M192-V196 WeakPolarHBondContact O-CA 3.37Å; M192-V196 WeakPolarHBondContact O-CB 3.4Å; M192-V196 PolarHBondContact O-N 3.27Å; V196-D265 VanDerWaalsContact O-CB 3.24Å; V196-D265 WeakPolarHBondContact O-CB 3.47Å
197L93.8Very high90.7Very high4 Ų438.6 Ų38.62%0.02120%0.203CC..Iπ-helixtrans-79.1-36.1-175.5-54.7-177.2000112.3Y157 M192 A193 A266 L267 A297 L446Y157-L197 HydrophobicContact CD2-CD2 4.31Å; Y157-L197 HydrophobicContact CE2-CD2 4.31Å; M192-L197 PolarHBondContact O-N 3.45Å; M192-L197 HydrophobicContact SD-CD1 4.11Å; M192-L197 HydrophobicContact SD-CD2 4.36Å; M192-L197 HydrophobicContact SD-CG 3.97Å; A193-L197 HydrophobicContact CB-CD1 4.4Å; A193-L197 WeakPolarHBondContact O-CB 3.47Å; A193-L197 PolarHBondContact O-N 3.46Å; L197-A266 HydrophobicContact CB-CB 4.02Å; L197-A266 HydrophobicContact CD2-CB 4.2Å; L197-A266 CarbonylContact O-C 3.5Å; L197-A266 WeakPolarHBondContact O-CA 3.37Å; L197-A266 WeakPolarHBondContact O-CB 3.46Å; L197-A266 PolarHBondContact O-N 3.44Å; L197-L267 PolarHBondContact O-N 2.86Å; L197-A297 HydrophobicContact CD1-CB 4.35Å; L197-L446 HydrophobicContact CD1-CD2 4.06Å; L197-L446 HydrophobicContact CD2-CD2 3.72Å
198L94.2Very high90.3Very high0 Ų037.7 Ų37.70%021%0.209CC..SBendtrans-102.3-16.7-176.4-54.2172.1000113A193 I194 F200 K254 L267 T290 L293 I294A193-L198 WeakPolarHBondContact O-CG 3.36Å; A193-L198 PolarHBondContact O-N 3.47Å; A193-L198 VanDerWaalsContact O-N 3.08Å; I194-L198 HydrophobicContact CD1-CD1 4.14Å; I194-L198 WeakPolarHBondContact O-CB 3.38Å; L198-F200 HydrophobicContact CB-CD1 4.13Å; L198-F200 HydrophobicContact CB-CD2 3.71Å; L198-F200 HydrophobicContact CB-CE1 4.14Å; L198-F200 HydrophobicContact CB-CE2 3.72Å; L198-F200 HydrophobicContact CB-CG 3.92Å; L198-F200 HydrophobicContact CB-CZ 3.93Å; L198-F200 HydrophobicContact CD1-CD2 3.96Å; L198-F200 HydrophobicContact CD1-CE2 3.68Å; L198-F200 HydrophobicContact CD1-CZ 4.44Å; L198-F200 HydrophobicContact CG-CD2 4.49Å; L198-F200 HydrophobicContact CG-CE2 4.24Å; L198-F200 WeakPolarHBondContact O-CD1 3.43Å; L198-F200 PolarHBondContact O-N 2.88Å; L198-K254 WeakPolarHBondContact O-CE 3.34Å; L198-K254 PolarHBondContact O-NZ 3.12Å; L198-L267 HydrophobicContact CD2-CB 4.15Å; L198-L267 HydrophobicContact CD2-CD2 4.49Å; L198-T290 HydrophobicContact CD1-CG2 3.36Å; L198-T290 HydrophobicContact CD2-CG2 3.5Å; L198-T290 VanDerWaalsContact CD2-CG2 3.5Å; L198-T290 HydrophobicContact CG-CG2 4.01Å; L198-L293 HydrophobicContact CD2-CD1 4.25Å; L198-I294 HydrophobicContact CD1-CD1 3.75Å; L198-I294 HydrophobicContact CD1-CG1 3.76Å
199G90.7Very high90Very high21 Ų2143.2 Ų43.222%0.21624%0.235CC..  trans58.233.6-176.900000112.7I194 R195 D265I194-G199 PolarHBondContact O-N 3.33Å; R195-G199 WeakPolarHBondContact O-CA 3.49Å; G199-D265 WeakPolarHBondContact CA-OD2 3.32Å
200F90.8Very high89.8Confident10 Ų1045 Ų454%0.04424%0.244CC..  trans-86.3129.3176.6-62.5-23.8000110.3I194 L198 I202 L247 A250 I251 K254 L267 T290I194-F200 HydrophobicContact CG2-CB 4.03Å; I194-F200 PolarHBondContact O-N 2.86Å; L198-F200 HydrophobicContact CB-CD1 4.13Å; L198-F200 HydrophobicContact CB-CD2 3.71Å; L198-F200 HydrophobicContact CB-CE1 4.14Å; L198-F200 HydrophobicContact CB-CE2 3.72Å; L198-F200 HydrophobicContact CB-CG 3.92Å; L198-F200 HydrophobicContact CB-CZ 3.93Å; L198-F200 HydrophobicContact CD1-CD2 3.96Å; L198-F200 HydrophobicContact CD1-CE2 3.68Å; L198-F200 HydrophobicContact CD1-CZ 4.44Å; L198-F200 HydrophobicContact CG-CD2 4.49Å; L198-F200 HydrophobicContact CG-CE2 4.24Å; L198-F200 WeakPolarHBondContact O-CD1 3.43Å; L198-F200 PolarHBondContact O-N 2.88Å; F200-I202 HydrophobicContact CB-CD1 4.35Å; F200-I202 HydrophobicContact CB-CG1 4.08Å; F200-I202 PolarHBondContact O-N 3.4Å; F200-L247 HydrophobicContact CE2-CD2 3.78Å; F200-A250 HydrophobicContact CD1-CB 4.04Å; F200-A250 HydrophobicContact CD2-CB 4Å; F200-A250 HydrophobicContact CE1-CB 4.02Å; F200-A250 HydrophobicContact CE2-CB 3.97Å; F200-A250 HydrophobicContact CG-CB 4.04Å; F200-A250 HydrophobicContact CZ-CB 4Å; F200-I251 HydrophobicContact CE1-CG1 4.37Å; F200-I251 HydrophobicContact CZ-CG1 3.87Å; F200-K254 HydrophobicContact CD1-CD 4.27Å; F200-K254 HydrophobicContact CE1-CD 3.89Å; F200-L267 HydrophobicContact CE1-CD2 3.72Å; F200-L267 HydrophobicContact CZ-CD2 3.79Å; F200-T290 HydrophobicContact CE2-CG2 4.08Å; F200-T290 HydrophobicContact CZ-CG2 4.31Å
201S83.3Confident89.7Confident127 Ų12745.4 Ų45.489%0.88825%0.246SC*.  trans-9286.3173.3-62.10000109.3
202I83.3Confident89.7Confident36 Ų3648.2 Ų48.219%0.18526%0.262CS..  trans-100.6127.8176.5-53.7-174.6000108.4I194 F200 D206 L207 L210I194-I202 HydrophobicContact CG2-CD1 3.69Å; I194-I202 HydrophobicContact CG2-CG1 4.07Å; F200-I202 HydrophobicContact CB-CD1 4.35Å; F200-I202 HydrophobicContact CB-CG1 4.08Å; F200-I202 PolarHBondContact O-N 3.4Å; I202-D206 HydrophobicContact CG2-CB 3.83Å; I202-L207 HydrophobicContact CB-CD1 4.42Å; I202-L207 HydrophobicContact CG2-CB 4.45Å; I202-L207 HydrophobicContact CG2-CD1 4.38Å; I202-L210 HydrophobicContact CD1-CD2 3.65Å
203P84.8Confident89.8Confident64 Ų6448.6 Ų48.642%0.41626%0.264SS..  trans-52.8144.7172.4-25.835.2000111.8E205 D206 L207P203-E205 HydrophobicContact CB-CG 3.91Å; P203-E205 PolarHBondContact O-N 3.49Å; P203-D206 PolarHBondContact O-N 2.96Å; P203-D206 VanDerWaalsContact O-N 3.17Å; P203-L207 PolarHBondContact O-N 3.1Å; P203-L207 VanDerWaalsContact O-N 3.1Å
204E80Confident89.9Confident84 Ų8448.6 Ų48.639%0.39326%0.264SS..Hα-helixtrans-62.8-32.4-176.2-165.965.3-144.200112.3R191 R195 L207R191-E204 IonicContact CZ-OE1 3.76Å; R191-E204 IonicContact NE-OE1 2.84Å; R191-E204 PolarHBondContact NE-OE1 3.37Å; R191-E204 IonicContact NH2-OE1 2.61Å; R191-E204 PolarHBondContact NH2-OE1 3.17Å; R195-E204 IonicContact CZ-OE2 3.13Å; R195-E204 IonicContact NH1-OE2 2.83Å; R195-E204 IonicContact NH2-OE2 3.76Å; R195-E204 PolarHBondContact NH2-OE2 2.95Å; E204-L207 PolarHBondContact O-N 2.66Å
205E81.5Confident89.9Confident166 Ų16650.1 Ų50.178%0.77627%0.271SS*.Hα-helixtrans-61.6-40175.358.5-170.5-171.400113.1P203P203-E205 HydrophobicContact CB-CG 3.91Å; P203-E205 PolarHBondContact O-N 3.49Å
206D86.8Confident90.2Very high90 Ų9049.7 Ų49.748%0.48127%0.272SS..Hα-helixtrans-77.6-27.9177.8-71.9-27.3000112.1I202 P203 G208 H209 L210I202-D206 HydrophobicContact CG2-CB 3.83Å; P203-D206 PolarHBondContact O-N 2.96Å; P203-D206 VanDerWaalsContact O-N 3.17Å; D206-G208 VanDerWaalsContact C-N 3.3Å; D206-G208 PolarHBondContact O-N 2.95Å; D206-H209 PolarHBondContact O-N 3.27Å; D206-L210 WeakPolarHBondContact O-CB 3.39Å; D206-L210 PolarHBondContact O-N 2.88Å
207L86.6Confident90.4Very high3 Ų349.7 Ų49.72%0.01627%0.272CS..Hα-helixtrans-67.2-32.7-175.1-165.160.7000112.2F190 R191 I194 I202 P203 E204 F211F190-L207 HydrophobicContact CD1-CD1 4.35Å; F190-L207 HydrophobicContact CE1-CD1 3.76Å; F190-L207 HydrophobicContact CE1-CG 4.44Å; R191-L207 HydrophobicContact CG-CD2 3.74Å; I194-L207 HydrophobicContact CG1-CD1 4.38Å; I194-L207 HydrophobicContact CG2-CD1 4.22Å; I202-L207 HydrophobicContact CB-CD1 4.42Å; I202-L207 HydrophobicContact CG2-CB 4.45Å; I202-L207 HydrophobicContact CG2-CD1 4.38Å; P203-L207 PolarHBondContact O-N 3.1Å; P203-L207 VanDerWaalsContact O-N 3.1Å; E204-L207 PolarHBondContact O-N 2.66Å; L207-F211 VanDerWaalsContact O-CB 3.3Å; L207-F211 WeakPolarHBondContact O-CB 3.48Å; L207-F211 PolarHBondContact O-N 3.37Å
208G88.5Confident90.4Very high37 Ų3750.8 Ų50.838%0.38128%0.279SS..Hα-helixtrans-62.9-51173.700000112.2D206 L210 F211 E212D206-G208 VanDerWaalsContact C-N 3.3Å; D206-G208 PolarHBondContact O-N 2.95Å; G208-L210 PolarHBondContact O-N 2.89Å; G208-F211 WeakPolarHBondContact O-CB 3.47Å; G208-F211 PolarHBondContact O-N 3.29Å; G208-E212 PolarHBondContact O-N 3.24Å; G208-E212 VanDerWaalsContact O-N 3.08Å
209H91Very high90.4Very high116 Ų11657.6 Ų57.654%0.53731%0.311SS..Hα-helixtrans-62.7-42.4176.8-179.659000112D206 F211 E212 V213D206-H209 PolarHBondContact O-N 3.27Å; H209-F211 VanDerWaalsContact C-N 3.27Å; H209-F211 PolarHBondContact O-N 2.93Å; H209-E212 IonicContact ND1-OE2 2.65Å; H209-E212 PolarHBondContact O-N 2.76Å; H209-V213 WeakPolarHBondContact O-CG2 3.31Å; H209-V213 PolarHBondContact O-N 2.86Å
210L93.4Very high90.6Very high38 Ų3857 Ų5720%0.19930%0.303CS..Hα-helixtrans-61.5-38.3176.9-173.966.5000111.8F190 I194 I202 D206 G208 V213 Y214 L243F190-L210 HydrophobicContact CE1-CD2 4.39Å; F190-L210 HydrophobicContact CE1-CG 4.44Å; F190-L210 HydrophobicContact CZ-CD2 3.93Å; F190-L210 HydrophobicContact CZ-CG 3.89Å; I194-L210 HydrophobicContact CD1-CD2 4.38Å; I202-L210 HydrophobicContact CD1-CD2 3.65Å; D206-L210 WeakPolarHBondContact O-CB 3.39Å; D206-L210 PolarHBondContact O-N 2.88Å; G208-L210 PolarHBondContact O-N 2.89Å; L210-V213 PolarHBondContact O-N 2.74Å; L210-Y214 VanDerWaalsContact O-CB 3.24Å; L210-Y214 WeakPolarHBondContact O-CB 3.24Å; L210-Y214 PolarHBondContact O-N 2.9Å; L210-L243 HydrophobicContact CD1-CD2 3.67Å
211F94.4Very high90.7Very high11 Ų1156.5 Ų56.55%0.04830%0.3CS..Hα-helixtrans-62.3-43.9175177.4-100.7000111.9Q186 K187 F190 L207 G208 H209 Y214 Q215 Y298Q186-F211 HydrophobicContact CB-CE2 4.33Å; Q186-F211 HydrophobicContact CB-CZ 4.13Å; K187-F211 HydrophobicContact CB-CE2 4.27Å; K187-F211 HydrophobicContact CB-CZ 4.33Å; K187-F211 HydrophobicContact CD-CE1 4.46Å; K187-F211 HydrophobicContact CG-CD1 4.16Å; K187-F211 HydrophobicContact CG-CD2 4.3Å; K187-F211 HydrophobicContact CG-CE1 3.63Å; K187-F211 HydrophobicContact CG-CE2 3.76Å; K187-F211 HydrophobicContact CG-CG 4.46Å; K187-F211 HydrophobicContact CG-CZ 3.41Å; K187-F211 VanDerWaalsContact CG-CZ 3.41Å; F190-F211 HydrophobicContact CB-CD2 3.86Å; F190-F211 HydrophobicContact CB-CE2 4.07Å; F190-F211 HydrophobicContact CD1-CB 4.1Å; F190-F211 AromaticContact CD1-CD2 3.71Å; F190-F211 HydrophobicContact CD1-CD2 3.71Å; F190-F211 HydrophobicContact CD1-CG 4.4Å; F190-F211 HydrophobicContact CD2-CD2 4.47Å; F190-F211 HydrophobicContact CE1-CB 4.02Å; F190-F211 HydrophobicContact CE1-CD2 4.38Å; F190-F211 AromaticContact CG-CD2 3.76Å; F190-F211 HydrophobicContact CG-CD2 3.76Å; F190-F211 HydrophobicContact CG-CE2 4.43Å; L207-F211 VanDerWaalsContact O-CB 3.3Å; L207-F211 WeakPolarHBondContact O-CB 3.48Å; L207-F211 PolarHBondContact O-N 3.37Å; G208-F211 WeakPolarHBondContact O-CB 3.47Å; G208-F211 PolarHBondContact O-N 3.29Å; H209-F211 VanDerWaalsContact C-N 3.27Å; H209-F211 PolarHBondContact O-N 2.93Å; F211-Y214 CarbonylContact O-C 3.48Å; F211-Y214 WeakPolarHBondContact O-CB 3.38Å; F211-Y214 PolarHBondContact O-N 3.47Å; F211-Q215 HydrophobicContact CD1-CG 4.17Å; F211-Q215 HydrophobicContact CE1-CG 3.8Å; F211-Q215 HydrophobicContact CE2-CG 4.35Å; F211-Q215 HydrophobicContact CZ-CG 3.89Å; F211-Q215 WeakPolarHBondContact O-CG 3.34Å; F211-Q215 PolarHBondContact O-N 2.98Å; F211-Y298 AromaticContact CE2-CE2 3.77Å; F211-Y298 HydrophobicContact CE2-CE2 3.77Å; F211-Y298 HydrophobicContact CZ-CE2 4.45Å
212E95.3Very high91Very high121 Ų12155.2 Ų55.257%0.56528%0.279SS*.Hα-helixtrans-61.3-46.7176.8-68.9172.2176.900112.1G208 H209 Y214 Q215 Q216G208-E212 PolarHBondContact O-N 3.24Å; G208-E212 VanDerWaalsContact O-N 3.08Å; H209-E212 IonicContact ND1-OE2 2.65Å; H209-E212 PolarHBondContact O-N 2.76Å; E212-Y214 PolarHBondContact O-N 3.18Å; E212-Q215 PolarHBondContact O-N 3.49Å; E212-Q216 PolarHBondContact O-N 3.25Å
213V96.6Very high91.4Very high9 Ų954.5 Ų54.56%0.05528%0.278CS..Hα-helixtrans-59.7-40.2175.2176.40000110.4H209 L210 Q216 F217 A239 I242 L243H209-V213 WeakPolarHBondContact O-CG2 3.31Å; H209-V213 PolarHBondContact O-N 2.86Å; L210-V213 PolarHBondContact O-N 2.74Å; V213-Q216 PolarHBondContact O-N 2.67Å; V213-F217 PolarHBondContact O-N 3.13Å; V213-A239 HydrophobicContact CG1-CB 4.19Å; V213-I242 HydrophobicContact CG1-CB 4Å; V213-I242 HydrophobicContact CG1-CD1 4.42Å; V213-I242 HydrophobicContact CG1-CG2 3.91Å; V213-I242 HydrophobicContact CG2-CG2 4.39Å; V213-L243 HydrophobicContact CG1-CD2 4.09Å; V213-L243 HydrophobicContact CG1-CG 3.99Å
214Y96.6Very high91.7Very high0 Ų058.2 Ų58.20%029%0.293CS..Hα-helixtrans-69.1-37.9178.1-179-97.4000113F190 L210 F211 E212 F217 V218 L243 L291 I294 F295 Y298F190-Y214 AromaticContact CD2-CD1 3.63Å; F190-Y214 HydrophobicContact CD2-CD1 3.63Å; F190-Y214 AromaticContact CD2-CE1 3.95Å; F190-Y214 HydrophobicContact CD2-CE1 3.95Å; F190-Y214 AromaticContact CD2-CG 3.99Å; F190-Y214 HydrophobicContact CD2-CG 3.99Å; F190-Y214 AromaticContact CE2-CD1 3.73Å; F190-Y214 HydrophobicContact CE2-CD1 3.73Å; F190-Y214 HydrophobicContact CE2-CD2 4.06Å; F190-Y214 HydrophobicContact CE2-CE1 4.32Å; F190-Y214 AromaticContact CE2-CG 3.58Å; F190-Y214 HydrophobicContact CE2-CG 3.58Å; F190-Y214 HydrophobicContact CZ-CG 4.47Å; L210-Y214 VanDerWaalsContact O-CB 3.24Å; L210-Y214 WeakPolarHBondContact O-CB 3.24Å; L210-Y214 PolarHBondContact O-N 2.9Å; F211-Y214 CarbonylContact O-C 3.48Å; F211-Y214 WeakPolarHBondContact O-CB 3.38Å; F211-Y214 PolarHBondContact O-N 3.47Å; E212-Y214 PolarHBondContact O-N 3.18Å; Y214-F217 HydrophobicContact CD2-CD1 4.33Å; Y214-F217 HydrophobicContact CE2-CD1 4.14Å; Y214-F217 WeakPolarHBondContact O-CB 3.46Å; Y214-F217 PolarHBondContact O-N 2.96Å; Y214-V218 HydrophobicContact CD1-CG2 4.18Å; Y214-V218 HydrophobicContact CE1-CG2 3.58Å; Y214-V218 HydrophobicContact CE2-CG2 4.07Å; Y214-V218 VanDerWaalsContact CZ-CG2 3.5Å; Y214-V218 WeakPolarHBondContact O-CG2 3.4Å; Y214-V218 PolarHBondContact O-N 3.17Å; Y214-L243 HydrophobicContact CD2-CD1 4Å; Y214-L243 HydrophobicContact CD2-CD2 4.45Å; Y214-L291 HydrophobicContact CE2-CD1 4.27Å; Y214-I294 HydrophobicContact CD2-CG2 4.16Å; Y214-I294 HydrophobicContact CE1-CG2 4.07Å; Y214-I294 HydrophobicContact CE2-CB 4.18Å; Y214-I294 HydrophobicContact CE2-CG2 3.52Å; Y214-I294 VanDerWaalsContact CZ-CG2 3.46Å; Y214-I294 VanDerWaalsContact OH-C 3.27Å; Y214-I294 PolarHBondContact OH-O 3.41Å; Y214-F295 WeakPolarHBondContact OH-CA 3.49Å; Y214-F295 PolarHBondContact OH-N 2.91Å; Y214-Y298 HydrophobicContact CD1-CD2 4.46Å; Y214-Y298 HydrophobicContact CD1-CE2 4.37Å; Y214-Y298 AromaticContact CE1-CD1 3.61Å; Y214-Y298 HydrophobicContact CE1-CD1 3.61Å; Y214-Y298 AromaticContact CE1-CD2 3.74Å; Y214-Y298 HydrophobicContact CE1-CD2 3.74Å; Y214-Y298 AromaticContact CE1-CE1 3.91Å; Y214-Y298 HydrophobicContact CE1-CE1 3.91Å; Y214-Y298 HydrophobicContact CE1-CE2 4.01Å; Y214-Y298 AromaticContact CE1-CG 3.51Å; Y214-Y298 HydrophobicContact CE1-CG 3.51Å; Y214-Y298 WeakPolarHBondContact OH-CB 3.24Å
215Q95.3Very high92.2Very high36 Ų3656.6 Ų56.617%0.16829%0.29CS..Hα-helixtrans-60.6-47.7171.7-75.6-170.8-63.900110.9F211 E212 F217 V218 E219 Y298F211-Q215 HydrophobicContact CD1-CG 4.17Å; F211-Q215 HydrophobicContact CE1-CG 3.8Å; F211-Q215 HydrophobicContact CE2-CG 4.35Å; F211-Q215 HydrophobicContact CZ-CG 3.89Å; F211-Q215 WeakPolarHBondContact O-CG 3.34Å; F211-Q215 PolarHBondContact O-N 2.98Å; E212-Q215 PolarHBondContact O-N 3.49Å; Q215-F217 PolarHBondContact O-N 3.44Å; Q215-V218 PolarHBondContact O-N 2.92Å; Q215-V218 VanDerWaalsContact O-N 3.12Å; Q215-E219 WeakPolarHBondContact O-CB 3.28Å; Q215-E219 WeakPolarHBondContact O-CG 3.45Å; Q215-E219 PolarHBondContact O-N 3.14Å; Q215-Y298 WeakPolarHBondContact CG-OH 3.33Å
216Q95.6Very high92.8Very high70 Ų7052.2 Ų52.233%0.32727%0.274SS..Hα-helixtrans-56.8-39174.5-179.8180-22.800111.4E212 V213 N220 R235 A239E212-Q216 PolarHBondContact O-N 3.25Å; V213-Q216 PolarHBondContact O-N 2.67Å; Q216-N220 PolarHBondContact O-ND2 3.21Å; Q216-R235 HydrophobicContact CG-CB 4.45Å; Q216-R235 PolarHBondContact NE2-O 3.13Å; Q216-R235 VanDerWaalsContact NE2-O 3.12Å; Q216-A239 HydrophobicContact CB-CB 4.36Å; Q216-A239 HydrophobicContact CG-CB 4.17Å
217F96.7Very high93.1Very high0 Ų051.5 Ų51.50%027%0.271CS..Hα-helixtrans-60.1-56.7173.5170.2-102.7000111.4L124 L125 V213 Y214 Q215 E219 N220 V221 A239 R240 L243 L291 F295L124-F217 HydrophobicContact CB-CE2 3.87Å; L124-F217 HydrophobicContact CB-CZ 4.35Å; L124-F217 HydrophobicContact CD2-CE2 4.48Å; L124-F217 WeakPolarHBondContact O-CE2 3.28Å; L124-F217 VanDerWaalsContact O-CZ 3.25Å; L124-F217 WeakPolarHBondContact O-CZ 3.39Å; L125-F217 HydrophobicContact CD2-CE1 4.42Å; L125-F217 HydrophobicContact CD2-CZ 4.19Å; V213-F217 PolarHBondContact O-N 3.13Å; Y214-F217 HydrophobicContact CD2-CD1 4.33Å; Y214-F217 HydrophobicContact CE2-CD1 4.14Å; Y214-F217 WeakPolarHBondContact O-CB 3.46Å; Y214-F217 PolarHBondContact O-N 2.96Å; Q215-F217 PolarHBondContact O-N 3.44Å; F217-E219 PolarHBondContact O-N 3.42Å; F217-N220 PolarHBondContact O-N 3.25Å; F217-N220 VanDerWaalsContact O-N 3.12Å; F217-V221 HydrophobicContact CD1-CG2 4.3Å; F217-V221 HydrophobicContact CE1-CG2 3.93Å; F217-V221 HydrophobicContact CE2-CG2 4.4Å; F217-V221 HydrophobicContact CZ-CG2 3.98Å; F217-V221 WeakPolarHBondContact O-CG2 3.28Å; F217-V221 PolarHBondContact O-N 3.37Å; F217-A239 HydrophobicContact CB-CB 3.81Å; F217-R240 HydrophobicContact CD2-CB 3.99Å; F217-R240 HydrophobicContact CE2-CB 3.97Å; F217-R240 HydrophobicContact CE2-CG 4.34Å; F217-L243 HydrophobicContact CB-CD1 3.69Å; F217-L243 HydrophobicContact CD1-CD1 4.22Å; F217-L243 HydrophobicContact CD2-CD1 4.33Å; F217-L243 HydrophobicContact CG-CD1 3.83Å; F217-L291 HydrophobicContact CD1-CD1 4.49Å; F217-L291 HydrophobicContact CE1-CD1 4.12Å; F217-L291 HydrophobicContact CE1-CD2 4.38Å; F217-L291 HydrophobicContact CE1-CG 4.37Å; F217-L291 HydrophobicContact CE2-CD2 4.34Å; F217-L291 HydrophobicContact CZ-CD1 4.46Å; F217-L291 HydrophobicContact CZ-CD2 3.91Å; F217-L291 HydrophobicContact CZ-CG 4.35Å; F217-F295 HydrophobicContact CE1-CD2 4.36Å
218V94.3Very high93.6Very high27 Ų2755 Ų5516%0.16429%0.289CS..Hα-helixtrans-62-43.2-174.1174.40000112.4Y214 Q215 N220 V221 F295 Y298Y214-V218 HydrophobicContact CD1-CG2 4.18Å; Y214-V218 HydrophobicContact CE1-CG2 3.58Å; Y214-V218 HydrophobicContact CE2-CG2 4.07Å; Y214-V218 VanDerWaalsContact CZ-CG2 3.5Å; Y214-V218 WeakPolarHBondContact O-CG2 3.4Å; Y214-V218 PolarHBondContact O-N 3.17Å; Q215-V218 PolarHBondContact O-N 2.92Å; Q215-V218 VanDerWaalsContact O-N 3.12Å; V218-N220 PolarHBondContact O-N 3.47Å; V218-N220 VanDerWaalsContact O-N 3.11Å; V218-V221 WeakPolarHBondContact O-CB 3.47Å; V218-V221 PolarHBondContact O-N 3.49Å; V218-F295 HydrophobicContact CG2-CD2 4.36Å; V218-Y298 HydrophobicContact CB-CE1 4.4Å; V218-Y298 HydrophobicContact CG1-CD1 4.34Å; V218-Y298 HydrophobicContact CG1-CE1 4.18Å; V218-Y298 HydrophobicContact CG2-CD1 4.1Å; V218-Y298 HydrophobicContact CG2-CE1 4.17Å
219E92.9Very high93.7Very high143 Ų14358.4 Ų58.467%0.66830%0.304SS*.Hα-helixtrans-58.9-25.3178.4-73.3176.3178.200112.9Q215 F217Q215-E219 WeakPolarHBondContact O-CB 3.28Å; Q215-E219 WeakPolarHBondContact O-CG 3.45Å; Q215-E219 PolarHBondContact O-N 3.14Å; F217-E219 PolarHBondContact O-N 3.42Å
220N95Very high93.8Very high8 Ų860.9 Ų60.94%0.04331%0.314CS..Hα-helixtrans-103.8-1.1-176.3-69.7-71.1000113.9L124 Q216 F217 V218 F222 S223 G232L124-N220 VanDerWaalsContact CD1-O 3.28Å; L124-N220 WeakPolarHBondContact CD1-O 3.27Å; Q216-N220 PolarHBondContact O-ND2 3.21Å; F217-N220 PolarHBondContact O-N 3.25Å; F217-N220 VanDerWaalsContact O-N 3.12Å; V218-N220 PolarHBondContact O-N 3.47Å; V218-N220 VanDerWaalsContact O-N 3.11Å; N220-F222 PolarHBondContact O-N 2.99Å; N220-S223 VanDerWaalsContact O-CB 3.29Å; N220-S223 WeakPolarHBondContact O-CB 3.34Å; N220-S223 PolarHBondContact O-N 2.93Å; N220-S223 VanDerWaalsContact O-N 3.14Å; N220-S223 PolarHBondContact O-OG 3.41Å; N220-G232 WeakPolarHBondContact CB-O 3.28Å; N220-G232 VanDerWaalsContact OD1-C 3.25Å; N220-G232 WeakPolarHBondContact OD1-CA 3.31Å; N220-G232 PolarHBondContact OD1-O 3.49Å; N220-G232 VanDerWaalsContact OD1-O 3.04Å
221V92.8Very high93.9Very high0 Ų059.8 Ų59.80%031%0.309CS..THydrogen-bonded Turntrans-59.6-30.7178.6169.90000112.8S120 T121 F217 V218 F295S120-V221 CarbonylContact C-O 3.52Å; S120-V221 PolarHBondContact OG-O 3.02Å; T121-V221 VanDerWaalsContact CA-O 3.26Å; T121-V221 WeakPolarHBondContact CA-O 3.38Å; T121-V221 HydrophobicContact CG2-CG1 3.51Å; T121-V221 PolarHBondContact N-O 2.89Å; T121-V221 PolarHBondContact OG1-O 3.13Å; F217-V221 HydrophobicContact CD1-CG2 4.3Å; F217-V221 HydrophobicContact CE1-CG2 3.93Å; F217-V221 HydrophobicContact CE2-CG2 4.4Å; F217-V221 HydrophobicContact CZ-CG2 3.98Å; F217-V221 WeakPolarHBondContact O-CG2 3.28Å; F217-V221 PolarHBondContact O-N 3.37Å; V218-V221 WeakPolarHBondContact O-CB 3.47Å; V218-V221 PolarHBondContact O-N 3.49Å; V221-F295 HydrophobicContact CB-CE2 4.44Å; V221-F295 HydrophobicContact CG1-CE2 4.1Å; V221-F295 HydrophobicContact CG1-CZ 4.12Å; V221-F295 HydrophobicContact CG2-CE2 4.06Å
222F89.5Confident93.9Very high100 Ų10060.1 Ų60.144%0.43932%0.315SS..THydrogen-bonded Turntrans-105.115.5-179.8-64.3-79.8000113.7W117 P118 N220 P478W117-F222 HydrophobicContact CE3-CE1 4.3Å; W117-F222 AromaticContact CZ3-CE1 3.97Å; W117-F222 HydrophobicContact CZ3-CE1 3.97Å; W117-F222 AromaticContact CZ3-CZ 3.95Å; W117-F222 HydrophobicContact CZ3-CZ 3.95Å; P118-F222 HydrophobicContact CG-CD1 4.17Å; N220-F222 PolarHBondContact O-N 2.99Å; F222-P478 HydrophobicContact CD2-CB 4.42Å; F222-P478 HydrophobicContact CE2-CB 4.26Å
223S91.4Very high94Very high22 Ų2255.5 Ų55.515%0.15429%0.293CS..SBendtrans-66.9164.8178.360.80000113S120 N220 Y233S120-S223 WeakPolarHBondContact CB-O 3.23Å; S120-S223 PolarHBondContact OG-O 2.78Å; N220-S223 VanDerWaalsContact O-CB 3.29Å; N220-S223 WeakPolarHBondContact O-CB 3.34Å; N220-S223 PolarHBondContact O-N 2.93Å; N220-S223 VanDerWaalsContact O-N 3.14Å; N220-S223 PolarHBondContact O-OG 3.41Å; S223-Y233 WeakPolarHBondContact OG-CA 3.14Å; S223-Y233 PolarHBondContact OG-N 3.19Å
224L91.1Very high94Very high141 Ų14159.1 Ų59.174%0.73831%0.306SS*.  trans-63.5132.1170.1-69.2177.1000109.7V226 Y233L224-V226 PolarHBondContact O-N 3.3Å; L224-Y233 VanDerWaalsContact O-CB 3.25Å; L224-Y233 WeakPolarHBondContact O-CB 3.44Å
225P90.9Very high94Very high51 Ų5164.9 Ų64.933%0.33133%0.328SS..SBendtrans-78.856-173.135.3-38.8000112.1R119R119-P225 HydrophobicContact CB-CB 4.1Å; R119-P225 HydrophobicContact CB-CG 4.22Å; R119-P225 HydrophobicContact CG-CB 4.19Å
226V93.5Very high94.1Very high74 Ų7463.2 Ų63.245%0.44832%0.32SS..  trans-124113.4-176.7-179.90000107.6L224 L228 S231L224-V226 PolarHBondContact O-N 3.3Å; V226-L228 HydrophobicContact CG1-CD1 3.71Å; V226-L228 HydrophobicContact CG1-CG 3.85Å; V226-L228 PolarHBondContact O-N 3.42Å; V226-L228 VanDerWaalsContact O-N 3.13Å; V226-S231 VanDerWaalsContact O-CB 3.22Å; V226-S231 WeakPolarHBondContact O-CB 3.15Å; V226-S231 PolarHBondContact O-OG 2.96Å
227D94.8Very high94.2Very high75 Ų7561.8 Ų61.840%0.40131%0.314SS..  trans-87.378.4-172.3-174.329.5000112.3Y233 R234D227-Y233 HydrophobicContact CB-CD1 4Å; D227-Y233 HydrophobicContact CB-CE1 4.26Å; D227-R234 VanDerWaalsContact CG-NH2 3.3Å; D227-R234 WeakPolarHBondContact OD1-CB 3.29Å; D227-R234 WeakPolarHBondContact OD1-CD 3.37Å; D227-R234 IonicContact OD1-CZ 3.14Å; D227-R234 IonicContact OD1-NE 2.84Å; D227-R234 PolarHBondContact OD1-NE 3.03Å; D227-R234 IonicContact OD1-NH2 3.44Å; D227-R234 PolarHBondContact OD1-NH2 2.72Å; D227-R234 IonicContact OD2-CZ 3.34Å; D227-R234 IonicContact OD2-NE 2.65Å; D227-R234 IonicContact OD2-NH2 3.3Å; D227-R234 PolarHBondContact OD2-NH2 2.74Å
228L95.2Very high94.2Very high76 Ų7665.8 Ų65.840%0.39833%0.332SS..  trans-111.6153.4175.8-65.7167.2000111.1V226 F230 S231 R234V226-L228 HydrophobicContact CG1-CD1 3.71Å; V226-L228 HydrophobicContact CG1-CG 3.85Å; V226-L228 PolarHBondContact O-N 3.42Å; V226-L228 VanDerWaalsContact O-N 3.13Å; L228-F230 HydrophobicContact CB-CE1 4.27Å; L228-F230 HydrophobicContact CB-CE2 4.38Å; L228-F230 HydrophobicContact CB-CZ 4.13Å; L228-F230 HydrophobicContact CD1-CE2 4.23Å; L228-F230 HydrophobicContact CD1-CZ 3.88Å; L228-F230 PolarHBondContact O-N 3.12Å; L228-F230 VanDerWaalsContact O-N 3.07Å; L228-S231 PolarHBondContact N-OG 2.79Å; L228-S231 VanDerWaalsContact N-OG 3.14Å; L228-S231 VanDerWaalsContact O-CB 3.31Å; L228-S231 WeakPolarHBondContact O-CB 3.45Å; L228-S231 PolarHBondContact O-N 3.06Å; L228-S231 PolarHBondContact O-OG 3.49Å; L228-R234 WeakPolarHBondContact O-CB 3.34Å
229P92.4Very high94.3Very high108 Ų10864.5 Ų64.570%0.70133%0.325SS*.THydrogen-bonded Turntrans-52.4-36.2-175.2-29.335.9000115.3
230F92.4Very high94.5Very high168 Ų16859.3 Ų59.374%0.73730%0.299SS*.THydrogen-bonded Turntrans-97.1-1.5-179.852.9-95.4000113.6L228L228-F230 HydrophobicContact CB-CE1 4.27Å; L228-F230 HydrophobicContact CB-CE2 4.38Å; L228-F230 HydrophobicContact CB-CZ 4.13Å; L228-F230 HydrophobicContact CD1-CE2 4.23Å; L228-F230 HydrophobicContact CD1-CZ 3.88Å; L228-F230 PolarHBondContact O-N 3.12Å; L228-F230 VanDerWaalsContact O-N 3.07Å
231S95.2Very high94.6Very high16 Ų1664.9 Ų64.911%0.11233%0.325CS..SBendtrans-72148.8-177.269.40000111.6V226 L228 Y233 R234 R235V226-S231 VanDerWaalsContact O-CB 3.22Å; V226-S231 WeakPolarHBondContact O-CB 3.15Å; V226-S231 PolarHBondContact O-OG 2.96Å; L228-S231 PolarHBondContact N-OG 2.79Å; L228-S231 VanDerWaalsContact N-OG 3.14Å; L228-S231 VanDerWaalsContact O-CB 3.31Å; L228-S231 WeakPolarHBondContact O-CB 3.45Å; L228-S231 PolarHBondContact O-N 3.06Å; L228-S231 PolarHBondContact O-OG 3.49Å; S231-Y233 PolarHBondContact O-N 3.23Å; S231-R234 PolarHBondContact O-N 2.86Å; S231-R234 WeakPolarHBondContact OG-CB 3.37Å; S231-R234 PolarHBondContact OG-N 3.26Å; S231-R235 PolarHBondContact O-N 3.3Å
232G94.9Very high94.8Very high17 Ų1769.3 Ų69.318%0.17535%0.348CS..Hα-helixtrans-56.8-37.1168.100000112.4N220 R234 R235 G236N220-G232 WeakPolarHBondContact CB-O 3.28Å; N220-G232 VanDerWaalsContact OD1-C 3.25Å; N220-G232 WeakPolarHBondContact OD1-CA 3.31Å; N220-G232 PolarHBondContact OD1-O 3.49Å; N220-G232 VanDerWaalsContact OD1-O 3.04Å; G232-R234 PolarHBondContact O-N 3.12Å; G232-R235 WeakPolarHBondContact O-CB 3.11Å; G232-R235 PolarHBondContact O-N 2.74Å; G232-G236 PolarHBondContact O-N 2.89Å
233Y96.1Very high95.1Very high24 Ų2465 Ų659%0.09433%0.329CS..Hα-helixtrans-63.8-42.9-179.1-171.4-119.4000113M123 L124 S223 L224 D227 S231 R235 G236 I237M123-Y233 HydrophobicContact CB-CE2 4.42Å; M123-Y233 VanDerWaalsContact CB-OH 3.28Å; M123-Y233 WeakPolarHBondContact CB-OH 3.31Å; L124-Y233 HydrophobicContact CD1-CD2 4.14Å; L124-Y233 HydrophobicContact CD1-CE2 4.29Å; L124-Y233 HydrophobicContact CG-CD2 4.4Å; L124-Y233 HydrophobicContact CG-CE2 4.09Å; S223-Y233 WeakPolarHBondContact OG-CA 3.14Å; S223-Y233 PolarHBondContact OG-N 3.19Å; L224-Y233 VanDerWaalsContact O-CB 3.25Å; L224-Y233 WeakPolarHBondContact O-CB 3.44Å; D227-Y233 HydrophobicContact CB-CD1 4Å; D227-Y233 HydrophobicContact CB-CE1 4.26Å; S231-Y233 PolarHBondContact O-N 3.23Å; Y233-R235 PolarHBondContact O-N 2.93Å; Y233-G236 PolarHBondContact O-N 3.01Å; Y233-I237 HydrophobicContact CD1-CD1 3.84Å; Y233-I237 HydrophobicContact CE1-CD1 3.58Å; Y233-I237 HydrophobicContact CE1-CG1 4.47Å; Y233-I237 HydrophobicContact CG-CD1 4.41Å; Y233-I237 WeakPolarHBondContact O-CG1 3.39Å; Y233-I237 PolarHBondContact O-N 3.14Å
234R96.9Very high95.3Very high86 Ų8664.7 Ų64.733%0.32533%0.325SS..Hα-helixtrans-59.7-45.4172.3175.162.667.9138.9-4.4111.6D227 L228 S231 G232 G236 I237 Q238D227-R234 VanDerWaalsContact CG-NH2 3.3Å; D227-R234 WeakPolarHBondContact OD1-CB 3.29Å; D227-R234 WeakPolarHBondContact OD1-CD 3.37Å; D227-R234 IonicContact OD1-CZ 3.14Å; D227-R234 IonicContact OD1-NE 2.84Å; D227-R234 PolarHBondContact OD1-NE 3.03Å; D227-R234 IonicContact OD1-NH2 3.44Å; D227-R234 PolarHBondContact OD1-NH2 2.72Å; D227-R234 IonicContact OD2-CZ 3.34Å; D227-R234 IonicContact OD2-NE 2.65Å; D227-R234 IonicContact OD2-NH2 3.3Å; D227-R234 PolarHBondContact OD2-NH2 2.74Å; L228-R234 WeakPolarHBondContact O-CB 3.34Å; S231-R234 PolarHBondContact O-N 2.86Å; S231-R234 WeakPolarHBondContact OG-CB 3.37Å; S231-R234 PolarHBondContact OG-N 3.26Å; G232-R234 PolarHBondContact O-N 3.12Å; R234-G236 VanDerWaalsContact C-N 3.3Å; R234-G236 PolarHBondContact O-N 2.94Å; R234-I237 PolarHBondContact O-N 3.37Å; R234-Q238 WeakPolarHBondContact O-CG 3.47Å; R234-Q238 PolarHBondContact O-N 2.7Å
235R97.1Very high95.6Very high121 Ų12165.9 Ų65.946%0.45733%0.325SS..Hα-helixtrans-59.8-40176.2-71.3-170-65.2173.52.7112Q216 S231 G232 Y233 A239Q216-R235 HydrophobicContact CG-CB 4.45Å; Q216-R235 PolarHBondContact NE2-O 3.13Å; Q216-R235 VanDerWaalsContact NE2-O 3.12Å; S231-R235 PolarHBondContact O-N 3.3Å; G232-R235 WeakPolarHBondContact O-CB 3.11Å; G232-R235 PolarHBondContact O-N 2.74Å; Y233-R235 PolarHBondContact O-N 2.93Å; R235-A239 WeakPolarHBondContact O-CB 3.15Å; R235-A239 PolarHBondContact O-N 3.45Å
236G97.3Very high95.7Very high0 Ų065.2 Ų65.20%033%0.327CS..Hα-helixtrans-66.3-40.7174.600000113.1G232 Y233 R234 A239 R240G232-G236 PolarHBondContact O-N 2.89Å; Y233-G236 PolarHBondContact O-N 3.01Å; R234-G236 VanDerWaalsContact C-N 3.3Å; R234-G236 PolarHBondContact O-N 2.94Å; G236-A239 PolarHBondContact O-N 3.38Å; G236-R240 WeakPolarHBondContact O-CB 3.29Å; G236-R240 PolarHBondContact O-N 2.82Å
237I96.9Very high95.8Very high40 Ų4062.3 Ų62.321%0.20531%0.309CS..Hα-helixtrans-62.4-46.8176.2-71.3167000110.5L124 Y233 R234 R240 Q241L124-I237 HydrophobicContact CD2-CG1 3.99Å; Y233-I237 HydrophobicContact CD1-CD1 3.84Å; Y233-I237 HydrophobicContact CE1-CD1 3.58Å; Y233-I237 HydrophobicContact CE1-CG1 4.47Å; Y233-I237 HydrophobicContact CG-CD1 4.41Å; Y233-I237 WeakPolarHBondContact O-CG1 3.39Å; Y233-I237 PolarHBondContact O-N 3.14Å; R234-I237 PolarHBondContact O-N 3.37Å; I237-R240 PolarHBondContact O-N 2.76Å; I237-Q241 WeakPolarHBondContact O-CG 3.42Å; I237-Q241 PolarHBondContact O-N 3.48Å
238Q97.3Very high95.8Very high84 Ų8461.3 Ų61.339%0.39330%0.302SS..Hα-helixtrans-61.1-47.5178.3-72.7171.9-24.600111.3R234 R240 Q241 I242R234-Q238 WeakPolarHBondContact O-CG 3.47Å; R234-Q238 PolarHBondContact O-N 2.7Å; Q238-R240 VanDerWaalsContact C-N 3.34Å; Q238-R240 PolarHBondContact O-N 2.91Å; Q238-Q241 WeakPolarHBondContact O-CB 3.13Å; Q238-Q241 PolarHBondContact O-N 3.3Å; Q238-Q241 VanDerWaalsContact O-N 3.14Å; Q238-I242 WeakPolarHBondContact O-CG1 3.42Å; Q238-I242 PolarHBondContact O-N 2.94Å; Q238-I242 VanDerWaalsContact O-N 3.09Å
239A97.6Very high95.8Very high0 Ų064.1 Ų64.10%031%0.311CS..Hα-helixtrans-58.8-45.2175.700000111.5V213 Q216 F217 R235 G236 Q241 I242 L243V213-A239 HydrophobicContact CG1-CB 4.19Å; Q216-A239 HydrophobicContact CB-CB 4.36Å; Q216-A239 HydrophobicContact CG-CB 4.17Å; F217-A239 HydrophobicContact CB-CB 3.81Å; R235-A239 WeakPolarHBondContact O-CB 3.15Å; R235-A239 PolarHBondContact O-N 3.45Å; G236-A239 PolarHBondContact O-N 3.38Å; A239-Q241 VanDerWaalsContact C-N 3.31Å; A239-Q241 PolarHBondContact O-N 2.77Å; A239-I242 PolarHBondContact O-N 2.66Å; A239-L243 VanDerWaalsContact O-CG 3.26Å; A239-L243 WeakPolarHBondContact O-CG 3.48Å; A239-L243 PolarHBondContact O-N 3.07Å
240R97.1Very high95.8Very high34 Ų3459.8 Ų59.813%0.12828%0.284CS..Hα-helixtrans-57.6-41.8174.9-179.5-176.8171.176.33.5112.2L124 L125 F217 G236 I237 Q238 L243 Q244 D288L124-R240 VanDerWaalsContact O-CD 3.26Å; L124-R240 WeakPolarHBondContact O-CD 3.44Å; L124-R240 PolarHBondContact O-NH1 3.19Å; L125-R240 PolarHBondContact O-NH1 3.27Å; F217-R240 HydrophobicContact CD2-CB 3.99Å; F217-R240 HydrophobicContact CE2-CB 3.97Å; F217-R240 HydrophobicContact CE2-CG 4.34Å; G236-R240 WeakPolarHBondContact O-CB 3.29Å; G236-R240 PolarHBondContact O-N 2.82Å; I237-R240 PolarHBondContact O-N 2.76Å; Q238-R240 VanDerWaalsContact C-N 3.34Å; Q238-R240 PolarHBondContact O-N 2.91Å; R240-L243 PolarHBondContact O-N 3.49Å; R240-Q244 HydrophobicContact CG-CG 4.09Å; R240-Q244 VanDerWaalsContact O-CB 3.29Å; R240-Q244 WeakPolarHBondContact O-CB 3.41Å; R240-Q244 WeakPolarHBondContact O-CG 3.45Å; R240-Q244 PolarHBondContact O-N 3.15Å; R240-D288 IonicContact CZ-OD1 3.96Å; R240-D288 IonicContact NH1-OD1 2.71Å; R240-D288 IonicContact NH2-OD1 3.96Å; R240-D288 PolarHBondContact NH2-OD1 2.87Å
241Q96.9Very high95.9Very high125 Ų12551.8 Ų51.858%0.58425%0.249SC*.Hα-helixtrans-63.8-44.1179.7-74.3171.7-1500111.8I237 Q238 A239 Q244 K245I237-Q241 WeakPolarHBondContact O-CG 3.42Å; I237-Q241 PolarHBondContact O-N 3.48Å; Q238-Q241 WeakPolarHBondContact O-CB 3.13Å; Q238-Q241 PolarHBondContact O-N 3.3Å; Q238-Q241 VanDerWaalsContact O-N 3.14Å; A239-Q241 VanDerWaalsContact C-N 3.31Å; A239-Q241 PolarHBondContact O-N 2.77Å; Q241-Q244 PolarHBondContact O-N 3.29Å; Q241-K245 PolarHBondContact O-N 2.83Å
242I96.8Very high95.8Very high94 Ų9456.9 Ų56.948%0.48227%0.266SS..Hα-helixtrans-62.1-49.5176.5-63166.2000110V213 Q238 A239 Q244 K245 G246V213-I242 HydrophobicContact CG1-CB 4Å; V213-I242 HydrophobicContact CG1-CD1 4.42Å; V213-I242 HydrophobicContact CG1-CG2 3.91Å; V213-I242 HydrophobicContact CG2-CG2 4.39Å; Q238-I242 WeakPolarHBondContact O-CG1 3.42Å; Q238-I242 PolarHBondContact O-N 2.94Å; Q238-I242 VanDerWaalsContact O-N 3.09Å; A239-I242 PolarHBondContact O-N 2.66Å; I242-Q244 PolarHBondContact O-N 2.76Å; I242-K245 PolarHBondContact O-N 3.01Å; I242-G246 PolarHBondContact O-N 2.75Å
243L96.2Very high95.6Very high9 Ų960.9 Ų60.95%0.04728%0.28CS..Hα-helixtrans-58.6-47.8177.7-67.9170.8000111.6L210 V213 Y214 F217 A239 R240 K245 G246 L247 L291L210-L243 HydrophobicContact CD1-CD2 3.67Å; V213-L243 HydrophobicContact CG1-CD2 4.09Å; V213-L243 HydrophobicContact CG1-CG 3.99Å; Y214-L243 HydrophobicContact CD2-CD1 4Å; Y214-L243 HydrophobicContact CD2-CD2 4.45Å; F217-L243 HydrophobicContact CB-CD1 3.69Å; F217-L243 HydrophobicContact CD1-CD1 4.22Å; F217-L243 HydrophobicContact CD2-CD1 4.33Å; F217-L243 HydrophobicContact CG-CD1 3.83Å; A239-L243 VanDerWaalsContact O-CG 3.26Å; A239-L243 WeakPolarHBondContact O-CG 3.48Å; A239-L243 PolarHBondContact O-N 3.07Å; R240-L243 PolarHBondContact O-N 3.49Å; L243-K245 VanDerWaalsContact C-N 3.3Å; L243-K245 PolarHBondContact O-N 2.95Å; L243-G246 PolarHBondContact O-N 2.83Å; L243-L247 WeakPolarHBondContact O-CB 3.4Å; L243-L247 VanDerWaalsContact O-CG 3.23Å; L243-L247 WeakPolarHBondContact O-CG 3.47Å; L243-L247 PolarHBondContact O-N 3.37Å; L243-L291 HydrophobicContact CD1-CD1 4.1Å
244Q95.8Very high95.3Very high16 Ų1660.7 Ų60.78%0.07528%0.28CS..Hα-helixtrans-60.7-37.9179.4-75.2-95.1-28.500112.3R240 Q241 I242 E248 K287 D288R240-Q244 HydrophobicContact CG-CG 4.09Å; R240-Q244 VanDerWaalsContact O-CB 3.29Å; R240-Q244 WeakPolarHBondContact O-CB 3.41Å; R240-Q244 WeakPolarHBondContact O-CG 3.45Å; R240-Q244 PolarHBondContact O-N 3.15Å; Q241-Q244 PolarHBondContact O-N 3.29Å; I242-Q244 PolarHBondContact O-N 2.76Å; Q244-E248 WeakPolarHBondContact O-CB 3.33Å; Q244-E248 PolarHBondContact O-N 3.29Å; Q244-K287 HydrophobicContact CB-CD 4.48Å; Q244-K287 WeakPolarHBondContact O-CD 3.36Å; Q244-D288 PolarHBondContact NE2-OD1 3.46Å
245K95.6Very high95Very high166 Ų16660.6 Ų60.672%0.72229%0.285SS*.Hα-helixtrans-66.2-44.9175.6-173.9-179.2178.4-1760111.5Q241 I242 L243 E248 K249Q241-K245 PolarHBondContact O-N 2.83Å; I242-K245 PolarHBondContact O-N 3.01Å; L243-K245 VanDerWaalsContact C-N 3.3Å; L243-K245 PolarHBondContact O-N 2.95Å; K245-E248 PolarHBondContact O-N 3.3Å; K245-K249 PolarHBondContact O-N 2.82Å
246G93.6Very high94.5Very high37 Ų3762 Ų6238%0.38130%0.297SS..Hα-helixtrans-62.7-45.5176.100000112.4I242 L243 E248 K249 A250I242-G246 PolarHBondContact O-N 2.75Å; L243-G246 PolarHBondContact O-N 2.83Å; G246-E248 VanDerWaalsContact C-N 3.34Å; G246-E248 PolarHBondContact O-N 3.39Å; G246-K249 PolarHBondContact O-N 3.21Å; G246-A250 PolarHBondContact O-N 3.49Å
247L94.9Very high93.6Very high13 Ų1365.7 Ų65.77%0.06832%0.321CS..Hα-helixtrans-60.8-41.7175.9-70.7179.6000111.9F200 L243 K249 A250 I251 K287 T290 L291 I294F200-L247 HydrophobicContact CE2-CD2 3.78Å; L243-L247 WeakPolarHBondContact O-CB 3.4Å; L243-L247 VanDerWaalsContact O-CG 3.23Å; L243-L247 WeakPolarHBondContact O-CG 3.47Å; L243-L247 PolarHBondContact O-N 3.37Å; L247-K249 VanDerWaalsContact C-N 3.34Å; L247-K249 PolarHBondContact O-N 2.84Å; L247-A250 PolarHBondContact O-N 2.95Å; L247-I251 HydrophobicContact CB-CD1 4.45Å; L247-I251 VanDerWaalsContact O-CB 3.32Å; L247-I251 WeakPolarHBondContact O-CB 3.29Å; L247-I251 WeakPolarHBondContact O-CD1 3.32Å; L247-I251 WeakPolarHBondContact O-CG1 3.22Å; L247-I251 PolarHBondContact O-N 3.34Å; L247-K287 HydrophobicContact CB-CG 4.29Å; L247-T290 HydrophobicContact CD1-CG2 4.14Å; L247-T290 HydrophobicContact CD2-CG2 3.52Å; L247-T290 HydrophobicContact CG-CG2 4.4Å; L247-L291 HydrophobicContact CD1-CB 4.04Å; L247-I294 HydrophobicContact CD2-CD1 4.45Å
248E95.9Very high91.8Very high54 Ų5470 Ų7025%0.25235%0.35SS..Hα-helixtrans-59-46.7176.9-168160.6153.800112Q244 K245 G246 R252 M283 K287Q244-E248 WeakPolarHBondContact O-CB 3.33Å; Q244-E248 PolarHBondContact O-N 3.29Å; K245-E248 PolarHBondContact O-N 3.3Å; G246-E248 VanDerWaalsContact C-N 3.34Å; G246-E248 PolarHBondContact O-N 3.39Å; E248-R252 WeakPolarHBondContact O-CB 3.31Å; E248-R252 VanDerWaalsContact O-CG 3.27Å; E248-R252 WeakPolarHBondContact O-CG 3.3Å; E248-R252 PolarHBondContact O-N 3.46Å; E248-R252 IonicContact OE1-CZ 2.84Å; E248-R252 IonicContact OE1-NE 2.66Å; E248-R252 PolarHBondContact OE1-NE 3.39Å; E248-R252 IonicContact OE1-NH2 3.47Å; E248-R252 PolarHBondContact OE1-NH2 2.89Å; E248-M283 HydrophobicContact CG-CG 4.02Å; E248-M283 HydrophobicContact CG-SD 4.02Å; E248-K287 HydrophobicContact CB-CD 3.85Å; E248-K287 HydrophobicContact CG-CD 4.39Å; E248-K287 IonicContact OE2-NZ 3.59Å; E248-K287 PolarHBondContact OE2-NZ 2.99Å
249K93.8Very high89.8Confident134 Ų13474 Ų7458%0.58337%0.368SS*.Hα-helixtrans-60-52.9177.4-179.6-177.5169.6-172.80110.6K245 G246 L247 I251 R252 E253K245-K249 PolarHBondContact O-N 2.82Å; G246-K249 PolarHBondContact O-N 3.21Å; L247-K249 VanDerWaalsContact C-N 3.34Å; L247-K249 PolarHBondContact O-N 2.84Å; K249-I251 PolarHBondContact O-N 3.06Å; K249-R252 PolarHBondContact O-N 3.45Å; K249-R252 VanDerWaalsContact O-N 3.17Å; K249-E253 WeakPolarHBondContact CE-OE1 3.34Å; K249-E253 WeakPolarHBondContact CG-OE1 3.49Å; K249-E253 IonicContact NZ-OE1 2.7Å; K249-E253 WeakPolarHBondContact O-CG 3.49Å; K249-E253 PolarHBondContact O-N 3.22Å
250A93.1Very high87.7Confident17 Ų1777.7 Ų77.714%0.1441%0.407CS..Hα-helixtrans-61.4-40.4-178.400000112.8F200 G246 L247 K254F200-A250 HydrophobicContact CD1-CB 4.04Å; F200-A250 HydrophobicContact CD2-CB 4Å; F200-A250 HydrophobicContact CE1-CB 4.02Å; F200-A250 HydrophobicContact CE2-CB 3.97Å; F200-A250 HydrophobicContact CG-CB 4.04Å; F200-A250 HydrophobicContact CZ-CB 4Å; G246-A250 PolarHBondContact O-N 3.49Å; L247-A250 PolarHBondContact O-N 2.95Å; A250-K254 VanDerWaalsContact O-CB 3.24Å; A250-K254 WeakPolarHBondContact O-CB 3.39Å; A250-K254 PolarHBondContact O-N 3.03Å
251I94.4Very high86.1Confident1 Ų180.5 Ų80.51%0.00542%0.42CS..Hα-helixtrans-64.3-44.6175.9-69.1162.9000110.4F200 L247 K249 K254 L255 L267 M283 L286 K287F200-I251 HydrophobicContact CE1-CG1 4.37Å; F200-I251 HydrophobicContact CZ-CG1 3.87Å; L247-I251 HydrophobicContact CB-CD1 4.45Å; L247-I251 VanDerWaalsContact O-CB 3.32Å; L247-I251 WeakPolarHBondContact O-CB 3.29Å; L247-I251 WeakPolarHBondContact O-CD1 3.32Å; L247-I251 WeakPolarHBondContact O-CG1 3.22Å; L247-I251 PolarHBondContact O-N 3.34Å; K249-I251 PolarHBondContact O-N 3.06Å; I251-K254 PolarHBondContact O-N 3.24Å; I251-L255 HydrophobicContact CG2-CD1 3.81Å; I251-L255 HydrophobicContact CG2-CG 4.26Å; I251-L255 WeakPolarHBondContact O-CB 3.4Å; I251-L255 VanDerWaalsContact O-CG 3.24Å; I251-L255 WeakPolarHBondContact O-CG 3.14Å; I251-L255 PolarHBondContact O-N 3.03Å; I251-L267 HydrophobicContact CG1-CD2 4.23Å; I251-M283 HydrophobicContact CB-SD 4.24Å; I251-M283 HydrophobicContact CD1-SD 4.39Å; I251-M283 HydrophobicContact CG2-CE 3.88Å; I251-M283 HydrophobicContact CG2-SD 3.89Å; I251-L286 HydrophobicContact CD1-CB 3.98Å; I251-L286 HydrophobicContact CG2-CD1 4.01Å; I251-K287 HydrophobicContact CD1-CG 3.99Å
252R94.1Very high84.7Confident123 Ų12382.7 Ų82.746%0.46444%0.436SS..Hα-helixtrans-62.5-47179.2-73.9175.8-174.4-81.22.4111.9E248 K249 K254 L255 Q256 M283E248-R252 WeakPolarHBondContact O-CB 3.31Å; E248-R252 VanDerWaalsContact O-CG 3.27Å; E248-R252 WeakPolarHBondContact O-CG 3.3Å; E248-R252 PolarHBondContact O-N 3.46Å; E248-R252 IonicContact OE1-CZ 2.84Å; E248-R252 IonicContact OE1-NE 2.66Å; E248-R252 PolarHBondContact OE1-NE 3.39Å; E248-R252 IonicContact OE1-NH2 3.47Å; E248-R252 PolarHBondContact OE1-NH2 2.89Å; K249-R252 PolarHBondContact O-N 3.45Å; K249-R252 VanDerWaalsContact O-N 3.17Å; R252-K254 VanDerWaalsContact C-N 3.32Å; R252-K254 PolarHBondContact O-N 2.85Å; R252-L255 PolarHBondContact O-N 3.3Å; R252-Q256 VanDerWaalsContact O-CG 3.31Å; R252-Q256 WeakPolarHBondContact O-CG 3.46Å; R252-Q256 PolarHBondContact O-N 3.42Å; R252-Q256 VanDerWaalsContact O-N 3.08Å; R252-M283 HydrophobicContact CG-CE 3.75Å
253E91.1Very high83.7Confident101 Ų10180.3 Ų80.347%0.47242%0.421SS..Hα-helixtrans-59.5-44.7176.9-71.8169.2173.800110.9K249 L255 Q256 C257K249-E253 WeakPolarHBondContact CE-OE1 3.34Å; K249-E253 WeakPolarHBondContact CG-OE1 3.49Å; K249-E253 IonicContact NZ-OE1 2.7Å; K249-E253 WeakPolarHBondContact O-CG 3.49Å; K249-E253 PolarHBondContact O-N 3.22Å; E253-L255 PolarHBondContact O-N 3.06Å; E253-Q256 PolarHBondContact O-N 3.15Å; E253-C257 PolarHBondContact O-N 3.22Å; E253-C257 VanDerWaalsContact O-N 3.1Å
254K89.9Confident83.1Confident20 Ų2082 Ų829%0.08743%0.434CS..Hα-helixtrans-60.5-43.8176.3-175.6-172.7179.6790112.8L198 F200 A250 I251 R252 Q256 C257 D265 L267 D268L198-K254 WeakPolarHBondContact O-CE 3.34Å; L198-K254 PolarHBondContact O-NZ 3.12Å; F200-K254 HydrophobicContact CD1-CD 4.27Å; F200-K254 HydrophobicContact CE1-CD 3.89Å; A250-K254 VanDerWaalsContact O-CB 3.24Å; A250-K254 WeakPolarHBondContact O-CB 3.39Å; A250-K254 PolarHBondContact O-N 3.03Å; I251-K254 PolarHBondContact O-N 3.24Å; R252-K254 VanDerWaalsContact C-N 3.32Å; R252-K254 PolarHBondContact O-N 2.85Å; K254-Q256 VanDerWaalsContact C-N 3.29Å; K254-Q256 PolarHBondContact O-N 3.19Å; K254-C257 PolarHBondContact O-N 2.99Å; K254-D265 WeakPolarHBondContact CE-OD1 3.49Å; K254-D265 IonicContact NZ-OD1 2.67Å; K254-D265 PolarHBondContact NZ-OD1 3.16Å; K254-D265 VanDerWaalsContact NZ-OD1 3.13Å; K254-D265 IonicContact NZ-OD2 2.74Å; K254-D265 PolarHBondContact NZ-OD2 3.14Å; K254-L267 HydrophobicContact CD-CD2 3.74Å; K254-L267 HydrophobicContact CD-CG 4.39Å; K254-D268 WeakPolarHBondContact CE-OD1 3.27Å; K254-D268 IonicContact NZ-OD1 2.89Å; K254-D268 IonicContact NZ-OD2 3.19Å; K254-D268 PolarHBondContact NZ-OD2 3.37Å
255L89.1Confident83Confident84 Ų8481.4 Ų81.444%0.4443%0.431SS..Hα-helixtrans-69.4-26.3-179.6-72173.9000113.1I251 R252 E253 I271I251-L255 HydrophobicContact CG2-CD1 3.81Å; I251-L255 HydrophobicContact CG2-CG 4.26Å; I251-L255 WeakPolarHBondContact O-CB 3.4Å; I251-L255 VanDerWaalsContact O-CG 3.24Å; I251-L255 WeakPolarHBondContact O-CG 3.14Å; I251-L255 PolarHBondContact O-N 3.03Å; R252-L255 PolarHBondContact O-N 3.3Å; E253-L255 PolarHBondContact O-N 3.06Å; L255-I271 HydrophobicContact CD2-CD1 3.99Å
256Q87.7Confident82.9Confident151 Ų15173.5 Ų73.571%0.70640%0.397SS*.Hα-helixtrans-81.4-25.2175.8-70.8171.2-3.600112.3R252 E253 K254 T258R252-Q256 VanDerWaalsContact O-CG 3.31Å; R252-Q256 WeakPolarHBondContact O-CG 3.46Å; R252-Q256 PolarHBondContact O-N 3.42Å; R252-Q256 VanDerWaalsContact O-N 3.08Å; E253-Q256 PolarHBondContact O-N 3.15Å; K254-Q256 VanDerWaalsContact C-N 3.29Å; K254-Q256 PolarHBondContact O-N 3.19Å; Q256-T258 PolarHBondContact O-N 2.97Å; Q256-T258 VanDerWaalsContact O-N 3.08Å
257C77.9Confident83Confident76 Ų7671.8 Ų71.851%0.51438%0.379SS..  trans-82.584.7179.9-149.10000110.4E253 K254E253-C257 PolarHBondContact O-N 3.22Å; E253-C257 VanDerWaalsContact O-N 3.1Å; K254-C257 PolarHBondContact O-N 2.99Å
258T60Low82.9Confident132 Ų13272.2 Ų72.281%0.8138%0.381SS*.  trans-88.36.7177.5410000114.3Q256Q256-T258 PolarHBondContact O-N 2.97Å; Q256-T258 VanDerWaalsContact O-N 3.08Å
259Q53.7Low82.9Confident166 Ų16670.6 Ų70.678%0.77637%0.374SS*.SBendtrans-72.6141178.3-78.8-173.3-13.300111.5K261Q259-K261 PolarHBondContact O-N 2.95Å
260G54.7Low82.9Confident78 Ų7864.2 Ų64.280%0.80435%0.346SS*.  trans-44.1100.2-169.800000113.5
261K62.3Low83Confident93 Ų9364.6 Ų64.640%0.40435%0.346SS..  trans-74.7135.7171.2-67178-179.9167.40108.5Q259 Y263 D268Q259-K261 PolarHBondContact O-N 2.95Å; K261-Y263 WeakPolarHBondContact CB-O 3.49Å; K261-Y263 PolarHBondContact O-N 2.7Å; K261-D268 IonicContact NZ-OD1 3.76Å; K261-D268 PolarHBondContact NZ-OD1 3.06Å; K261-D268 IonicContact NZ-OD2 2.86Å; K261-D268 PolarHBondContact NZ-OD2 3.16Å
262D67.2Low82.9Confident172 Ų17268.6 Ų68.692%0.9236%0.364SS*.SBendtrans-69.3-10.9174.7-60.5-35.8000112.9
263Y76.3Confident82.9Confident43 Ų4362.8 Ų62.817%0.16934%0.343CS..SBendtrans-160.5159.9178.682.7-62.5000112.4K160 R195 K261 D265K160-Y263 HydrophobicContact CD-CD1 4.49Å; K160-Y263 HydrophobicContact CD-CE1 3.91Å; K160-Y263 HydrophobicContact CD-CE2 3.84Å; K160-Y263 VanDerWaalsContact CD-CZ 3.5Å; K160-Y263 WeakPolarHBondContact CD-OH 3.35Å; K160-Y263 WeakPolarHBondContact CE-OH 3.42Å; K160-Y263 PolarHBondContact NZ-OH 3.29Å; R195-Y263 PolarHBondContact O-OH 2.79Å; K261-Y263 WeakPolarHBondContact CB-O 3.49Å; K261-Y263 PolarHBondContact O-N 2.7Å; Y263-D265 HydrophobicContact CE2-CB 3.82Å
264S85.1Confident82.9Confident46 Ų4658.3 Ų58.332%0.32232%0.323SS..  trans-98123.7171.2-56.90000111S156 Y157S156-S264 PolarHBondContact OG-O 3.4Å; Y157-S264 WeakPolarHBondContact CE1-O 3.36Å
265D92.2Very high83.1Confident2 Ų263.2 Ų63.21%0.01134%0.344CS..  trans-82.8177.3171.555.469000113.1V196 G199 K254 Y263 L267 D268 L269V196-D265 VanDerWaalsContact O-CB 3.24Å; V196-D265 WeakPolarHBondContact O-CB 3.47Å; G199-D265 WeakPolarHBondContact CA-OD2 3.32Å; K254-D265 WeakPolarHBondContact CE-OD1 3.49Å; K254-D265 IonicContact NZ-OD1 2.67Å; K254-D265 PolarHBondContact NZ-OD1 3.16Å; K254-D265 VanDerWaalsContact NZ-OD1 3.13Å; K254-D265 IonicContact NZ-OD2 2.74Å; K254-D265 PolarHBondContact NZ-OD2 3.14Å; Y263-D265 HydrophobicContact CE2-CB 3.82Å; D265-L267 VanDerWaalsContact C-N 3.29Å; D265-L267 PolarHBondContact O-N 3.3Å; D265-L267 WeakPolarHBondContact OD1-CB 3.27Å; D265-L267 PolarHBondContact OD1-N 2.81Å; D265-L267 VanDerWaalsContact OD1-N 3.12Å; D265-D268 PolarHBondContact O-N 3.47Å; D265-D268 PolarHBondContact OD1-N 2.83Å; D265-D268 VanDerWaalsContact OD2-OD2 3.05Å; D265-L269 WeakPolarHBondContact O-CG 3.09Å; D265-L269 PolarHBondContact O-N 3.41Å
266A94.4Very high83.2Confident1 Ų165.3 Ų65.31%0.00835%0.351CS..Hα-helixtrans-63.8-32.3-177.300000112.9I148 Y157 L197 L270I148-A266 HydrophobicContact CB-CB 3.93Å; I148-A266 HydrophobicContact CD1-CB 4.27Å; I148-A266 HydrophobicContact CG1-CB 4.27Å; I148-A266 HydrophobicContact CG2-CB 4.48Å; I148-A266 VanDerWaalsContact CG2-O 3.28Å; I148-A266 WeakPolarHBondContact CG2-O 3.45Å; Y157-A266 HydrophobicContact CE2-CB 4.41Å; Y157-A266 WeakPolarHBondContact OH-CA 3.47Å; Y157-A266 WeakPolarHBondContact OH-CB 3.39Å; Y157-A266 PolarHBondContact OH-N 3.38Å; L197-A266 HydrophobicContact CB-CB 4.02Å; L197-A266 HydrophobicContact CD2-CB 4.2Å; L197-A266 CarbonylContact O-C 3.5Å; L197-A266 WeakPolarHBondContact O-CA 3.37Å; L197-A266 WeakPolarHBondContact O-CB 3.46Å; L197-A266 PolarHBondContact O-N 3.44Å; A266-L270 WeakPolarHBondContact O-CB 3.4Å; A266-L270 PolarHBondContact O-N 3.37Å
267L95.1Very high83.2Confident0 Ų061.9 Ų61.90%034%0.335CS..Hα-helixtrans-70.8-41.8176.2179.658.1000111.3L197 L198 F200 I251 K254 D265 L270 I271 L286L197-L267 PolarHBondContact O-N 2.86Å; L198-L267 HydrophobicContact CD2-CB 4.15Å; L198-L267 HydrophobicContact CD2-CD2 4.49Å; F200-L267 HydrophobicContact CE1-CD2 3.72Å; F200-L267 HydrophobicContact CZ-CD2 3.79Å; I251-L267 HydrophobicContact CG1-CD2 4.23Å; K254-L267 HydrophobicContact CD-CD2 3.74Å; K254-L267 HydrophobicContact CD-CG 4.39Å; D265-L267 VanDerWaalsContact C-N 3.29Å; D265-L267 PolarHBondContact O-N 3.3Å; D265-L267 WeakPolarHBondContact OD1-CB 3.27Å; D265-L267 PolarHBondContact OD1-N 2.81Å; D265-L267 VanDerWaalsContact OD1-N 3.12Å; L267-L270 PolarHBondContact O-N 3.1Å; L267-I271 HydrophobicContact CD1-CD1 4.08Å; L267-I271 HydrophobicContact CD1-CG1 4.36Å; L267-I271 HydrophobicContact CG-CD1 4.06Å; L267-I271 WeakPolarHBondContact O-CD1 3.34Å; L267-I271 VanDerWaalsContact O-CG1 3.29Å; L267-I271 WeakPolarHBondContact O-CG1 3.49Å; L267-I271 PolarHBondContact O-N 2.73Å; L267-L286 HydrophobicContact CD1-CD2 4.17Å
268D93.8Very high83.7Confident22 Ų2261.9 Ų61.912%0.11835%0.348CS..Hα-helixtrans-58.4-52.2173.6-68.4-36.7000110.9K254 K261 D265 L270 I271 E272K254-D268 WeakPolarHBondContact CE-OD1 3.27Å; K254-D268 IonicContact NZ-OD1 2.89Å; K254-D268 IonicContact NZ-OD2 3.19Å; K254-D268 PolarHBondContact NZ-OD2 3.37Å; K261-D268 IonicContact NZ-OD1 3.76Å; K261-D268 PolarHBondContact NZ-OD1 3.06Å; K261-D268 IonicContact NZ-OD2 2.86Å; K261-D268 PolarHBondContact NZ-OD2 3.16Å; D265-D268 PolarHBondContact O-N 3.47Å; D265-D268 PolarHBondContact OD1-N 2.83Å; D265-D268 VanDerWaalsContact OD2-OD2 3.05Å; D268-L270 VanDerWaalsContact C-N 3.27Å; D268-L270 PolarHBondContact O-N 3.49Å; D268-I271 PolarHBondContact O-N 2.95Å; D268-E272 WeakPolarHBondContact O-CG 3.46Å; D268-E272 PolarHBondContact O-N 2.97Å
269L94.5Very high85Confident20 Ų2060.4 Ų60.411%0.10533%0.331CS..Hα-helixtrans-63.4-31.9178.9-65.9-175.3000112.9I148 A153 Y157 D265 S273I148-L269 HydrophobicContact CG2-CB 4.01Å; A153-L269 HydrophobicContact CB-CD1 3.46Å; A153-L269 VanDerWaalsContact CB-CD1 3.46Å; Y157-L269 WeakPolarHBondContact OH-CD1 3.41Å; D265-L269 WeakPolarHBondContact O-CG 3.09Å; D265-L269 PolarHBondContact O-N 3.41Å; L269-S273 WeakPolarHBondContact O-CB 3.45Å; L269-S273 PolarHBondContact O-N 2.87Å
270L95Very high86.8Confident0 Ų059.8 Ų59.80%033%0.328CS..Hα-helixtrans-66.9-45.2176.1-177.965.6000111.3V144 F145 I148 A266 L267 D268 S273 S274 M281V144-L270 HydrophobicContact CG1-CD1 3.86Å; F145-L270 HydrophobicContact CB-CD1 4.48Å; F145-L270 HydrophobicContact CD1-CD1 4.16Å; F145-L270 HydrophobicContact CD2-CD1 3.51Å; F145-L270 HydrophobicContact CE1-CD1 4.27Å; F145-L270 HydrophobicContact CE1-CD2 4.13Å; F145-L270 HydrophobicContact CE2-CD1 3.65Å; F145-L270 HydrophobicContact CE2-CD2 4.14Å; F145-L270 HydrophobicContact CE2-CG 4.5Å; F145-L270 HydrophobicContact CG-CD1 3.79Å; F145-L270 HydrophobicContact CZ-CD1 4.04Å; F145-L270 HydrophobicContact CZ-CD2 3.8Å; I148-L270 HydrophobicContact CG2-CB 3.9Å; I148-L270 HydrophobicContact CG2-CD1 4.42Å; A266-L270 WeakPolarHBondContact O-CB 3.4Å; A266-L270 PolarHBondContact O-N 3.37Å; L267-L270 PolarHBondContact O-N 3.1Å; D268-L270 VanDerWaalsContact C-N 3.27Å; D268-L270 PolarHBondContact O-N 3.49Å; L270-S273 PolarHBondContact O-N 3.19Å; L270-S274 WeakPolarHBondContact O-CB 3.27Å; L270-S274 PolarHBondContact O-N 2.69Å; L270-M281 HydrophobicContact CD2-CE 4.25Å; L270-M281 HydrophobicContact CD2-SD 4.27Å; L270-M281 HydrophobicContact CG-SD 4Å
271I94.1Very high88.6Confident26 Ų2658 Ų5813%0.13330%0.299CS..Hα-helixtrans-62.1-46.6178-69.5160.8000109.9L255 L267 D268 S274 K275 L286L255-I271 HydrophobicContact CD2-CD1 3.99Å; L267-I271 HydrophobicContact CD1-CD1 4.08Å; L267-I271 HydrophobicContact CD1-CG1 4.36Å; L267-I271 HydrophobicContact CG-CD1 4.06Å; L267-I271 WeakPolarHBondContact O-CD1 3.34Å; L267-I271 VanDerWaalsContact O-CG1 3.29Å; L267-I271 WeakPolarHBondContact O-CG1 3.49Å; L267-I271 PolarHBondContact O-N 2.73Å; D268-I271 PolarHBondContact O-N 2.95Å; I271-S274 PolarHBondContact O-N 2.87Å; I271-K275 WeakPolarHBondContact O-CG 3.46Å; I271-K275 PolarHBondContact O-N 3.06Å; I271-K275 VanDerWaalsContact O-N 3.14Å; I271-L286 HydrophobicContact CD1-CD2 4.16Å; I271-L286 HydrophobicContact CG1-CD2 3.65Å
272E92.8Very high90.3Very high84 Ų8457.2 Ų57.239%0.39330%0.302SS..Hα-helixtrans-61.2-49.2176.4-70.9173.2-172.200112.1D268 S274 K275 E276D268-E272 WeakPolarHBondContact O-CG 3.46Å; D268-E272 PolarHBondContact O-N 2.97Å; E272-S274 PolarHBondContact O-N 3Å; E272-K275 WeakPolarHBondContact O-CB 3.25Å; E272-K275 PolarHBondContact O-N 2.95Å; E272-K275 VanDerWaalsContact O-N 3.07Å; E272-E276 PolarHBondContact O-N 3.44Å
273S93.7Very high91.7Very high2 Ų251.1 Ų51.11%0.01427%0.269CS..Hα-helixtrans-56.4-39.7177.3-175.10000112.1V144 L269 L270 E276 H277V144-S273 WeakPolarHBondContact CA-OG 3.41Å; V144-S273 WeakPolarHBondContact O-CB 3.27Å; V144-S273 PolarHBondContact O-OG 2.89Å; L269-S273 WeakPolarHBondContact O-CB 3.45Å; L269-S273 PolarHBondContact O-N 2.87Å; L270-S273 PolarHBondContact O-N 3.19Å; S273-E276 PolarHBondContact O-N 3.5Å; S273-H277 PolarHBondContact O-N 3.06Å; S273-H277 PolarHBondContact O-ND1 3.3Å
274S92.3Very high92.7Very high6 Ų652.5 Ų52.54%0.04228%0.277CS..Hα-helixtrans-65.1-43.3177.2-169.90000111.5L270 I271 E272 H277 G278 K279 M281L270-S274 WeakPolarHBondContact O-CB 3.27Å; L270-S274 PolarHBondContact O-N 2.69Å; I271-S274 PolarHBondContact O-N 2.87Å; E272-S274 PolarHBondContact O-N 3Å; S274-H277 CarbonylContact O-C 3.59Å; S274-H277 PolarHBondContact O-N 3.21Å; S274-H277 VanDerWaalsContact O-N 3.11Å; S274-G278 PolarHBondContact O-N 3.22Å; S274-K279 CarbonylContact C-O 3.48Å; S274-K279 WeakPolarHBondContact CB-O 3.26Å; S274-K279 PolarHBondContact O-N 3.28Å; S274-K279 VanDerWaalsContact O-N 3.08Å; S274-K279 PolarHBondContact OG-O 2.74Å; S274-M281 VanDerWaalsContact OG-CG 3.23Å; S274-M281 WeakPolarHBondContact OG-CG 3.43Å
275K92.6Very high93.2Very high124 Ų12451.5 Ų51.554%0.53927%0.267SS..Hα-helixtrans-62.4-41.9176.9-70.8178179.1-177.60112.1I271 E272 H277 G278 K279I271-K275 WeakPolarHBondContact O-CG 3.46Å; I271-K275 PolarHBondContact O-N 3.06Å; I271-K275 VanDerWaalsContact O-N 3.14Å; E272-K275 WeakPolarHBondContact O-CB 3.25Å; E272-K275 PolarHBondContact O-N 2.95Å; E272-K275 VanDerWaalsContact O-N 3.07Å; K275-H277 PolarHBondContact O-N 3.41Å; K275-G278 WeakPolarHBondContact O-CA 3.36Å; K275-G278 PolarHBondContact O-N 3.45Å; K275-K279 PolarHBondContact N-O 3.33Å
276E91.4Very high93.4Very high127 Ų12751.8 Ų51.859%0.59327%0.268SS*.Hα-helixtrans-60.1-28174.4-72.3172.4173.300112.9K147 E272 S273 G278K147-E276 IonicContact NZ-OE1 2.88Å; K147-E276 PolarHBondContact NZ-OE1 3.27Å; K147-E276 IonicContact NZ-OE2 3.81Å; K147-E276 PolarHBondContact NZ-OE2 2.98Å; E272-E276 PolarHBondContact O-N 3.44Å; S273-E276 PolarHBondContact O-N 3.5Å; E276-G278 VanDerWaalsContact C-N 3.27Å
277H89.4Confident93.6Very high79 Ų7952.7 Ų52.737%0.36627%0.272SS..THydrogen-bonded Turntrans-89.914.6174.3-70.781.5000113.2K143 V144 S273 S274 K275K143-H277 VanDerWaalsContact CD-NE2 3.27Å; K143-H277 WeakPolarHBondContact CD-NE2 3.49Å; K143-H277 WeakPolarHBondContact CE-NE2 3.39Å; K143-H277 PolarHBondContact NZ-NE2 3.36Å; V144-H277 HydrophobicContact CG2-CB 4.09Å; S273-H277 PolarHBondContact O-N 3.06Å; S273-H277 PolarHBondContact O-ND1 3.3Å; S274-H277 CarbonylContact O-C 3.59Å; S274-H277 PolarHBondContact O-N 3.21Å; S274-H277 VanDerWaalsContact O-N 3.11Å; K275-H277 PolarHBondContact O-N 3.41Å
278G86.4Confident93.7Very high76 Ų7652.7 Ų52.778%0.78427%0.272SS*.THydrogen-bonded Turntrans74.820.7174.300000114.5S274 K275 E276S274-G278 PolarHBondContact O-N 3.22Å; K275-G278 WeakPolarHBondContact O-CA 3.36Å; K275-G278 PolarHBondContact O-N 3.45Å; E276-G278 VanDerWaalsContact C-N 3.27Å
279K88.8Confident93.8Very high102 Ų10251.7 Ų51.744%0.44327%0.267SS..  trans-133.1124.3-178.1-176.7175.3176-177.50112.3S274 K275 E285S274-K279 CarbonylContact C-O 3.48Å; S274-K279 WeakPolarHBondContact CB-O 3.26Å; S274-K279 PolarHBondContact O-N 3.28Å; S274-K279 VanDerWaalsContact O-N 3.08Å; S274-K279 PolarHBondContact OG-O 2.74Å; K275-K279 PolarHBondContact N-O 3.33Å; K279-E285 WeakPolarHBondContact CE-OE1 3.34Å; K279-E285 IonicContact NZ-OE1 2.73Å; K279-E285 PolarHBondContact NZ-OE1 2.81Å; K279-E285 IonicContact NZ-OE2 2.55Å
280E90.9Very high93.9Very high153 Ų15350.7 Ų50.772%0.71526%0.262SS*.PPolyproline II helixtrans-79.2132.4163.1-64.6-164.3151.500110.5
281M93.6Very high94Very high39 Ų3950.7 Ų50.719%0.19226%0.262CS..PPolyproline II helixtrans-77.4131176.8-62.9-173.869.500110L270 S274 E285 L286L270-M281 HydrophobicContact CD2-CE 4.25Å; L270-M281 HydrophobicContact CD2-SD 4.27Å; L270-M281 HydrophobicContact CG-SD 4Å; S274-M281 VanDerWaalsContact OG-CG 3.23Å; S274-M281 WeakPolarHBondContact OG-CG 3.43Å; M281-E285 HydrophobicContact CB-CB 4.38Å; M281-E285 HydrophobicContact CE-CB 3.94Å; M281-L286 HydrophobicContact CB-CD2 3.79Å; M281-L286 HydrophobicContact CB-CG 3.86Å; M281-L286 HydrophobicContact CE-CD2 4.05Å; M281-L286 HydrophobicContact CG-CD2 4.35Å; M281-L286 HydrophobicContact SD-CD2 3.76Å
282T96.1Very high94Very high78 Ų7850.4 Ų50.448%0.47926%0.26SS..PPolyproline II helixtrans-66.8157.7170.463.30000110.7Q284 E285 L286T282-Q284 PolarHBondContact O-N 3.33Å; T282-E285 PolarHBondContact N-OE2 3.42Å; T282-E285 PolarHBondContact O-N 2.87Å; T282-E285 VanDerWaalsContact OG1-CG 3.26Å; T282-E285 WeakPolarHBondContact OG1-CG 3.17Å; T282-E285 PolarHBondContact OG1-N 2.96Å; T282-E285 PolarHBondContact OG1-OE2 3.37Å; T282-E285 VanDerWaalsContact OG1-OE2 3.04Å; T282-L286 PolarHBondContact O-N 3.3Å
283M96.5Very high94.2Very high44 Ų4446.9 Ų46.922%0.21724%0.244CC..Hα-helixtrans-55.2-36.6174.7-177.555.870.200112.1E248 I251 R252 L286 K287E248-M283 HydrophobicContact CG-CG 4.02Å; E248-M283 HydrophobicContact CG-SD 4.02Å; I251-M283 HydrophobicContact CB-SD 4.24Å; I251-M283 HydrophobicContact CD1-SD 4.39Å; I251-M283 HydrophobicContact CG2-CE 3.88Å; I251-M283 HydrophobicContact CG2-SD 3.89Å; R252-M283 HydrophobicContact CG-CE 3.75Å; M283-L286 PolarHBondContact O-N 3.43Å; M283-K287 HydrophobicContact CG-CD 4.44Å; M283-K287 WeakPolarHBondContact O-CG 3.46Å; M283-K287 PolarHBondContact O-N 2.91Å; M283-K287 HydrophobicContact SD-CG 4.35Å
284Q97.4Very high94.3Very high72 Ų7247.1 Ų47.134%0.33625%0.245SC..Hα-helixtrans-68.9-37.4177.7-168.657.448.600112.7T282 K287 D288T282-Q284 PolarHBondContact O-N 3.33Å; Q284-K287 PolarHBondContact O-N 3.4Å; Q284-D288 PolarHBondContact NE2-OD1 3.23Å; Q284-D288 WeakPolarHBondContact O-CB 3.31Å; Q284-D288 PolarHBondContact O-N 3.4Å
285E96.5Very high94.5Very high24 Ų2448.7 Ų48.711%0.11225%0.251CS..Hα-helixtrans-66.5-38.3174.2-73.1170.6134.400111.8N128 K279 M281 T282 G289N128-E285 HydrophobicContact CB-CG 3.97Å; K279-E285 WeakPolarHBondContact CE-OE1 3.34Å; K279-E285 IonicContact NZ-OE1 2.73Å; K279-E285 PolarHBondContact NZ-OE1 2.81Å; K279-E285 IonicContact NZ-OE2 2.55Å; M281-E285 HydrophobicContact CB-CB 4.38Å; M281-E285 HydrophobicContact CE-CB 3.94Å; T282-E285 PolarHBondContact N-OE2 3.42Å; T282-E285 PolarHBondContact O-N 2.87Å; T282-E285 VanDerWaalsContact OG1-CG 3.26Å; T282-E285 WeakPolarHBondContact OG1-CG 3.17Å; T282-E285 PolarHBondContact OG1-N 2.96Å; T282-E285 PolarHBondContact OG1-OE2 3.37Å; T282-E285 VanDerWaalsContact OG1-OE2 3.04Å; E285-G289 PolarHBondContact O-N 2.97Å
286L96.9Very high94.6Very high8 Ų845.4 Ų45.44%0.04225%0.247CC..Hα-helixtrans-64-45.5174.5-68.1171.9000111.7I251 L267 I271 M281 T282 M283 G289 T290I251-L286 HydrophobicContact CD1-CB 3.98Å; I251-L286 HydrophobicContact CG2-CD1 4.01Å; L267-L286 HydrophobicContact CD1-CD2 4.17Å; I271-L286 HydrophobicContact CD1-CD2 4.16Å; I271-L286 HydrophobicContact CG1-CD2 3.65Å; M281-L286 HydrophobicContact CB-CD2 3.79Å; M281-L286 HydrophobicContact CB-CG 3.86Å; M281-L286 HydrophobicContact CE-CD2 4.05Å; M281-L286 HydrophobicContact CG-CD2 4.35Å; M281-L286 HydrophobicContact SD-CD2 3.76Å; T282-L286 PolarHBondContact O-N 3.3Å; M283-L286 PolarHBondContact O-N 3.43Å; L286-G289 PolarHBondContact O-N 3.24Å; L286-T290 WeakPolarHBondContact O-CB 3.17Å; L286-T290 PolarHBondContact O-N 2.93Å; L286-T290 PolarHBondContact O-OG1 3.19Å
287K97.3Very high94.7Very high20 Ų2039.9 Ų39.99%0.08722%0.223CC..Hα-helixtrans-62.2-46.9176.6-71-176-58.9-175.70112.5Q244 L247 E248 I251 M283 Q284 T290 L291Q244-K287 HydrophobicContact CB-CD 4.48Å; Q244-K287 WeakPolarHBondContact O-CD 3.36Å; L247-K287 HydrophobicContact CB-CG 4.29Å; E248-K287 HydrophobicContact CB-CD 3.85Å; E248-K287 HydrophobicContact CG-CD 4.39Å; E248-K287 IonicContact OE2-NZ 3.59Å; E248-K287 PolarHBondContact OE2-NZ 2.99Å; I251-K287 HydrophobicContact CD1-CG 3.99Å; M283-K287 HydrophobicContact CG-CD 4.44Å; M283-K287 WeakPolarHBondContact O-CG 3.46Å; M283-K287 PolarHBondContact O-N 2.91Å; M283-K287 HydrophobicContact SD-CG 4.35Å; Q284-K287 PolarHBondContact O-N 3.4Å; K287-T290 PolarHBondContact O-N 3.43Å; K287-L291 WeakPolarHBondContact O-CB 3.2Å; K287-L291 PolarHBondContact O-N 3.04Å
288D97.1Very high95.1Very high0 Ų036.3 Ų36.30%021%0.206CC..Hα-helixtrans-66.8-41.9179.2-74.1-9.8000111.7N128 T129 R240 Q244 Q284 L291 E292N128-D288 HydrophobicContact CB-CB 3.86Å; N128-D288 WeakPolarHBondContact CB-OD2 3.13Å; N128-D288 PolarHBondContact ND2-OD2 2.95Å; T129-D288 HydrophobicContact CG2-CB 4.25Å; R240-D288 IonicContact CZ-OD1 3.96Å; R240-D288 IonicContact NH1-OD1 2.71Å; R240-D288 IonicContact NH2-OD1 3.96Å; R240-D288 PolarHBondContact NH2-OD1 2.87Å; Q244-D288 PolarHBondContact NE2-OD1 3.46Å; Q284-D288 PolarHBondContact NE2-OD1 3.23Å; Q284-D288 WeakPolarHBondContact O-CB 3.31Å; Q284-D288 PolarHBondContact O-N 3.4Å; D288-L291 PolarHBondContact O-N 3.46Å; D288-E292 WeakPolarHBondContact O-CB 3.39Å; D288-E292 PolarHBondContact O-N 2.81Å
289G96.3Very high95.5Very high1 Ų133.3 Ų33.31%0.0117%0.174CC..Hα-helixtrans-64.2-41.8176.300000112.4E285 L286 E292 L293E285-G289 PolarHBondContact O-N 2.97Å; L286-G289 PolarHBondContact O-N 3.24Å; G289-E292 PolarHBondContact O-N 3.43Å; G289-L293 WeakPolarHBondContact O-CG 3.25Å; G289-L293 PolarHBondContact O-N 3.34Å
290T96.2Very high95.9Very high0 Ų030.5 Ų30.50%017%0.165CC..Hα-helixtrans-63.4-48.6176.1-64.40000111.5L198 F200 L247 L286 K287 E292 L293 I294L198-T290 HydrophobicContact CD1-CG2 3.36Å; L198-T290 HydrophobicContact CD2-CG2 3.5Å; L198-T290 VanDerWaalsContact CD2-CG2 3.5Å; L198-T290 HydrophobicContact CG-CG2 4.01Å; F200-T290 HydrophobicContact CE2-CG2 4.08Å; F200-T290 HydrophobicContact CZ-CG2 4.31Å; L247-T290 HydrophobicContact CD1-CG2 4.14Å; L247-T290 HydrophobicContact CD2-CG2 3.52Å; L247-T290 HydrophobicContact CG-CG2 4.4Å; L286-T290 WeakPolarHBondContact O-CB 3.17Å; L286-T290 PolarHBondContact O-N 2.93Å; L286-T290 PolarHBondContact O-OG1 3.19Å; K287-T290 PolarHBondContact O-N 3.43Å; T290-E292 VanDerWaalsContact C-N 3.29Å; T290-E292 PolarHBondContact O-N 3.39Å; T290-L293 PolarHBondContact O-N 3.22Å; T290-I294 HydrophobicContact CG2-CD1 4.38Å; T290-I294 WeakPolarHBondContact O-CG1 3.23Å; T290-I294 PolarHBondContact O-N 3.39Å; T290-I294 VanDerWaalsContact O-N 3.16Å
291L96.9Very high96.2Very high0 Ų023.7 Ų23.70%013%0.134CC..Hα-helixtrans-62-37.6176.9-176.563000111.7Y214 F217 L243 L247 K287 D288 I294 F295Y214-L291 HydrophobicContact CE2-CD1 4.27Å; F217-L291 HydrophobicContact CD1-CD1 4.49Å; F217-L291 HydrophobicContact CE1-CD1 4.12Å; F217-L291 HydrophobicContact CE1-CD2 4.38Å; F217-L291 HydrophobicContact CE1-CG 4.37Å; F217-L291 HydrophobicContact CE2-CD2 4.34Å; F217-L291 HydrophobicContact CZ-CD1 4.46Å; F217-L291 HydrophobicContact CZ-CD2 3.91Å; F217-L291 HydrophobicContact CZ-CG 4.35Å; L243-L291 HydrophobicContact CD1-CD1 4.1Å; L247-L291 HydrophobicContact CD1-CB 4.04Å; K287-L291 WeakPolarHBondContact O-CB 3.2Å; K287-L291 PolarHBondContact O-N 3.04Å; D288-L291 PolarHBondContact O-N 3.46Å; L291-I294 PolarHBondContact O-N 2.96Å; L291-F295 VanDerWaalsContact O-CB 3.28Å; L291-F295 WeakPolarHBondContact O-CB 3.36Å; L291-F295 PolarHBondContact O-N 3.44Å
292E95.9Very high96.5Very high19 Ų1921.8 Ų21.89%0.08913%0.125CC..Hα-helixtrans-63-40.6174.5175.8171-136.700112.5T129 V130 S131 D288 G289 T290 F295 A296T129-E292 VanDerWaalsContact CA-OE2 3.27Å; T129-E292 WeakPolarHBondContact CA-OE2 3.32Å; T129-E292 VanDerWaalsContact CB-CD 3.44Å; T129-E292 WeakPolarHBondContact CB-OE1 3.24Å; T129-E292 VanDerWaalsContact CB-OE2 3.28Å; T129-E292 WeakPolarHBondContact CB-OE2 3.41Å; T129-E292 HydrophobicContact CG2-CB 3.92Å; T129-E292 HydrophobicContact CG2-CG 4.46Å; V130-E292 PolarHBondContact N-OE1 2.8Å; V130-E292 PolarHBondContact N-OE2 2.7Å; S131-E292 WeakPolarHBondContact CB-OE1 3.48Å; S131-E292 PolarHBondContact N-OE1 3.49Å; S131-E292 PolarHBondContact OG-OE1 3.45Å; D288-E292 WeakPolarHBondContact O-CB 3.39Å; D288-E292 PolarHBondContact O-N 2.81Å; G289-E292 PolarHBondContact O-N 3.43Å; T290-E292 VanDerWaalsContact C-N 3.29Å; T290-E292 PolarHBondContact O-N 3.39Å; E292-F295 PolarHBondContact O-N 2.94Å; E292-A296 WeakPolarHBondContact O-CB 3.43Å; E292-A296 PolarHBondContact O-N 3.41Å
293L96.1Very high96.6Very high11 Ų1118.1 Ų18.16%0.05810%0.102CC..Hα-helixtrans-62.9-45.3176.8-70.2173.6000111.5F145 I148 F149 L198 G289 T290 A296 A297F145-L293 HydrophobicContact CD1-CD2 4.33Å; F145-L293 HydrophobicContact CE1-CD2 4.21Å; F145-L293 HydrophobicContact CE1-CG 4.34Å; I148-L293 HydrophobicContact CD1-CD1 4.18Å; I148-L293 HydrophobicContact CD1-CD2 3.68Å; F149-L293 HydrophobicContact CZ-CD2 4.08Å; L198-L293 HydrophobicContact CD2-CD1 4.25Å; G289-L293 WeakPolarHBondContact O-CG 3.25Å; G289-L293 PolarHBondContact O-N 3.34Å; T290-L293 PolarHBondContact O-N 3.22Å; L293-A296 PolarHBondContact O-N 3.42Å; L293-A297 WeakPolarHBondContact O-CB 3.28Å; L293-A297 PolarHBondContact O-N 2.61Å
294I96.6Very high96.7Very high6 Ų616.1 Ų16.13%0.0319%0.093CC..Hα-helixtrans-62-47.8175.6-54.1167.6000109.6F190 A193 I194 L198 Y214 L247 T290 L291 A296 A297 Y298F190-I294 HydrophobicContact CD2-CG2 3.68Å; F190-I294 HydrophobicContact CE2-CG2 3.78Å; A193-I294 HydrophobicContact CB-CB 4.41Å; A193-I294 HydrophobicContact CB-CG1 4.17Å; A193-I294 HydrophobicContact CB-CG2 4.3Å; I194-I294 HydrophobicContact CD1-CD1 3.77Å; I194-I294 HydrophobicContact CD1-CG1 4.44Å; L198-I294 HydrophobicContact CD1-CD1 3.75Å; L198-I294 HydrophobicContact CD1-CG1 3.76Å; Y214-I294 HydrophobicContact CD2-CG2 4.16Å; Y214-I294 HydrophobicContact CE1-CG2 4.07Å; Y214-I294 HydrophobicContact CE2-CB 4.18Å; Y214-I294 HydrophobicContact CE2-CG2 3.52Å; Y214-I294 VanDerWaalsContact CZ-CG2 3.46Å; Y214-I294 VanDerWaalsContact OH-C 3.27Å; Y214-I294 PolarHBondContact OH-O 3.41Å; L247-I294 HydrophobicContact CD2-CD1 4.45Å; T290-I294 HydrophobicContact CG2-CD1 4.38Å; T290-I294 WeakPolarHBondContact O-CG1 3.23Å; T290-I294 PolarHBondContact O-N 3.39Å; T290-I294 VanDerWaalsContact O-N 3.16Å; L291-I294 PolarHBondContact O-N 2.96Å; I294-A296 PolarHBondContact O-N 3.46Å; I294-A297 PolarHBondContact O-N 3.3Å; I294-Y298 WeakPolarHBondContact O-CB 3.39Å; I294-Y298 PolarHBondContact O-N 3.38Å
295F95.8Very high96.7Very high40 Ų4012.8 Ų12.818%0.1758%0.077CC..Hα-helixtrans-55.3-47.8178.2-179.5-102.8000113.2L125 Y214 F217 V218 V221 L291 E292L125-F295 HydrophobicContact CD1-CD1 4.11Å; L125-F295 HydrophobicContact CD1-CE1 3.87Å; L125-F295 HydrophobicContact CD1-CZ 4.39Å; L125-F295 HydrophobicContact CD2-CB 4.02Å; L125-F295 HydrophobicContact CD2-CD1 3.58Å; L125-F295 HydrophobicContact CD2-CD2 3.83Å; L125-F295 HydrophobicContact CD2-CE1 3.94Å; L125-F295 HydrophobicContact CD2-CE2 4.18Å; L125-F295 HydrophobicContact CD2-CG 3.51Å; L125-F295 HydrophobicContact CD2-CZ 4.23Å; Y214-F295 WeakPolarHBondContact OH-CA 3.49Å; Y214-F295 PolarHBondContact OH-N 2.91Å; F217-F295 HydrophobicContact CE1-CD2 4.36Å; V218-F295 HydrophobicContact CG2-CD2 4.36Å; V221-F295 HydrophobicContact CB-CE2 4.44Å; V221-F295 HydrophobicContact CG1-CE2 4.1Å; V221-F295 HydrophobicContact CG1-CZ 4.12Å; V221-F295 HydrophobicContact CG2-CE2 4.06Å; L291-F295 VanDerWaalsContact O-CB 3.28Å; L291-F295 WeakPolarHBondContact O-CB 3.36Å; L291-F295 PolarHBondContact O-N 3.44Å; E292-F295 PolarHBondContact O-N 2.94Å
296A94.8Very high96.8Very high55 Ų5511.6 Ų11.646%0.4557%0.072SC..Hα-helixtrans-67.8-43.3-178.700000112.4E292 L293 I294 T300E292-A296 WeakPolarHBondContact O-CB 3.43Å; E292-A296 PolarHBondContact O-N 3.41Å; L293-A296 PolarHBondContact O-N 3.42Å; I294-A296 PolarHBondContact O-N 3.46Å; A296-T300 PolarHBondContact O-OG1 2.9Å
297A94.4Very high96.9Very high11 Ų1111.2 Ų11.29%0.0917%0.07CC..Hα-helixtrans-77-26.3-174.600000113.7L197 L293 I294 T301L197-A297 HydrophobicContact CD1-CB 4.35Å; L293-A297 WeakPolarHBondContact O-CB 3.28Å; L293-A297 PolarHBondContact O-N 2.61Å; I294-A297 PolarHBondContact O-N 3.3Å; A297-T301 WeakPolarHBondContact O-CB 3.46Å; A297-T301 PolarHBondContact O-OG1 3.15Å
298Y96Very high97Very high4 Ų410.3 Ų10.32%0.0167%0.066CC..Hα-helixtrans-64.6-80.9-172.3174.8-115.2000113.9Q186 T189 F190 F211 Y214 Q215 V218 I294 T300 A302Q186-Y298 HydrophobicContact CB-CD2 4.43Å; Q186-Y298 HydrophobicContact CB-CE2 3.52Å; Q186-Y298 HydrophobicContact CG-CE1 4.32Å; Q186-Y298 HydrophobicContact CG-CE2 3.84Å; Q186-Y298 VanDerWaalsContact O-CE2 3.32Å; Q186-Y298 WeakPolarHBondContact O-CE2 3.33Å; Q186-Y298 PolarHBondContact OE1-OH 3.47Å; T189-Y298 PolarHBondContact OG1-O 3.42Å; F190-Y298 HydrophobicContact CB-CD2 4.09Å; F190-Y298 HydrophobicContact CB-CE2 4.29Å; F211-Y298 AromaticContact CE2-CE2 3.77Å; F211-Y298 HydrophobicContact CE2-CE2 3.77Å; F211-Y298 HydrophobicContact CZ-CE2 4.45Å; Y214-Y298 HydrophobicContact CD1-CD2 4.46Å; Y214-Y298 HydrophobicContact CD1-CE2 4.37Å; Y214-Y298 AromaticContact CE1-CD1 3.61Å; Y214-Y298 HydrophobicContact CE1-CD1 3.61Å; Y214-Y298 AromaticContact CE1-CD2 3.74Å; Y214-Y298 HydrophobicContact CE1-CD2 3.74Å; Y214-Y298 AromaticContact CE1-CE1 3.91Å; Y214-Y298 HydrophobicContact CE1-CE1 3.91Å; Y214-Y298 HydrophobicContact CE1-CE2 4.01Å; Y214-Y298 AromaticContact CE1-CG 3.51Å; Y214-Y298 HydrophobicContact CE1-CG 3.51Å; Y214-Y298 WeakPolarHBondContact OH-CB 3.24Å; Q215-Y298 WeakPolarHBondContact CG-OH 3.33Å; V218-Y298 HydrophobicContact CB-CE1 4.4Å; V218-Y298 HydrophobicContact CG1-CD1 4.34Å; V218-Y298 HydrophobicContact CG1-CE1 4.18Å; V218-Y298 HydrophobicContact CG2-CD1 4.1Å; V218-Y298 HydrophobicContact CG2-CE1 4.17Å; I294-Y298 WeakPolarHBondContact O-CB 3.39Å; I294-Y298 PolarHBondContact O-N 3.38Å; Y298-T300 PolarHBondContact O-N 2.77Å; Y298-A302 VanDerWaalsContact O-CB 3.29Å; Y298-A302 WeakPolarHBondContact O-CB 3.26Å; Y298-A302 PolarHBondContact O-N 2.85Å; Y298-A302 VanDerWaalsContact O-N 3.14Å
299A95.3Very high97.1Very high13 Ų1310.3 Ų10.311%0.1077%0.066CC..Hα-helixtrans-71.7-34.1-167.200000112.4S303 V479A299-S303 VanDerWaalsContact O-CB 3.22Å; A299-S303 WeakPolarHBondContact O-CB 3.38Å; A299-S303 PolarHBondContact O-N 3.11Å; A299-V479 HydrophobicContact CB-CB 4.44Å; A299-V479 HydrophobicContact CB-CG1 4.33Å; A299-V479 HydrophobicContact CB-CG2 3.93Å
300T97.3Very high97.2Very high43 Ų4310.4 Ų10.426%0.2647%0.066SC..Hα-helixtrans-70.5-44.2-175.763.80000112.3A296 Y298 A304 P367 I368A296-T300 PolarHBondContact O-OG1 2.9Å; Y298-T300 PolarHBondContact O-N 2.77Å; T300-A304 PolarHBondContact O-N 3.38Å; T300-A304 VanDerWaalsContact O-N 3.1Å; T300-P367 WeakPolarHBondContact O-CG 3.36Å; T300-I368 HydrophobicContact CG2-CD1 3.82Å; T300-I368 HydrophobicContact CG2-CG1 3.71Å
301T97.9Very high97.3Very high9 Ų910.7 Ų10.76%0.0557%0.068CC..Hα-helixtrans-71.8-36.6177.5-45.10000110.8T189 A297 A304 S305 F450T189-T301 HydrophobicContact CG2-CG2 3.77Å; A297-T301 WeakPolarHBondContact O-CB 3.46Å; A297-T301 PolarHBondContact O-OG1 3.15Å; T301-A304 PolarHBondContact O-N 2.9Å; T301-S305 VanDerWaalsContact O-CB 3.29Å; T301-S305 WeakPolarHBondContact O-CB 3.49Å; T301-S305 PolarHBondContact O-N 2.84Å; T301-S305 PolarHBondContact O-OG 3.32Å; T301-F450 HydrophobicContact CG2-CB 4.34Å; T301-F450 HydrophobicContact CG2-CD1 3.32Å; T301-F450 HydrophobicContact CG2-CE1 3.7Å; T301-F450 HydrophobicContact CG2-CG 3.82Å; T301-F450 HydrophobicContact CG2-CZ 4.45Å
302A98.4Very high97.3Very high0 Ų010.8 Ų10.80%07%0.068CC..Hα-helixtrans-61.5-48.8175.300000111Y182 A185 Q186 T189 Y298 A304 S305 T306Y182-A302 HydrophobicContact CE2-CB 4.3Å; A185-A302 HydrophobicContact CB-CB 4.03Å; Q186-A302 HydrophobicContact CB-CB 4.42Å; Q186-A302 HydrophobicContact CG-CB 3.79Å; T189-A302 HydrophobicContact CG2-CB 4.33Å; Y298-A302 VanDerWaalsContact O-CB 3.29Å; Y298-A302 WeakPolarHBondContact O-CB 3.26Å; Y298-A302 PolarHBondContact O-N 2.85Å; Y298-A302 VanDerWaalsContact O-N 3.14Å; A302-A304 PolarHBondContact O-N 3.43Å; A302-S305 WeakPolarHBondContact O-CB 3.47Å; A302-S305 PolarHBondContact O-N 2.8Å; A302-T306 PolarHBondContact O-N 3.11Å; A302-T306 PolarHBondContact O-OG1 3.1Å
303S98.6Very high97.4Very high0 Ų011.2 Ų11.20%07%0.071CC..Hα-helixtrans-53.7-49174167.60000112.9A299 S305 S307 L480A299-S303 VanDerWaalsContact O-CB 3.22Å; A299-S303 WeakPolarHBondContact O-CB 3.38Å; A299-S303 PolarHBondContact O-N 3.11Å; S303-S305 VanDerWaalsContact C-N 3.35Å; S303-S305 PolarHBondContact O-N 3.45Å; S303-S307 WeakPolarHBondContact O-CB 3.24Å; S303-S307 PolarHBondContact O-N 3.35Å; S303-S307 PolarHBondContact O-OG 3.02Å; S303-L480 WeakPolarHBondContact CB-O 3.48Å; S303-L480 PolarHBondContact OG-O 3.3Å
304A98.6Very high97.4Very high3 Ų314.2 Ų14.23%0.0258%0.083CC..Hα-helixtrans-66.1-38179.200000112.2T300 T301 A302 S307 L308 M362 P367 L451T300-A304 PolarHBondContact O-N 3.38Å; T300-A304 VanDerWaalsContact O-N 3.1Å; T301-A304 PolarHBondContact O-N 2.9Å; A302-A304 PolarHBondContact O-N 3.43Å; A304-S307 PolarHBondContact O-N 3.12Å; A304-L308 WeakPolarHBondContact O-CB 3.38Å; A304-L308 PolarHBondContact O-N 2.9Å; A304-M362 HydrophobicContact CB-SD 3.84Å; A304-P367 HydrophobicContact CB-CG 3.92Å; A304-L451 HydrophobicContact CB-CD1 3.84Å; A304-L451 HydrophobicContact CB-CD2 3.82Å; A304-L451 HydrophobicContact CB-CG 4.39Å
305S98.8Very high97.5Very high1 Ų116.5 Ų16.51%0.0079%0.094CC..Hα-helixtrans-65.6-47.5177.8-58.90000111.8T301 A302 S303 S307 L308 I309 F450 L454T301-S305 VanDerWaalsContact O-CB 3.29Å; T301-S305 WeakPolarHBondContact O-CB 3.49Å; T301-S305 PolarHBondContact O-N 2.84Å; T301-S305 PolarHBondContact O-OG 3.32Å; A302-S305 WeakPolarHBondContact O-CB 3.47Å; A302-S305 PolarHBondContact O-N 2.8Å; S303-S305 VanDerWaalsContact C-N 3.35Å; S303-S305 PolarHBondContact O-N 3.45Å; S305-S307 VanDerWaalsContact C-N 3.29Å; S305-S307 PolarHBondContact O-N 3.18Å; S305-L308 WeakPolarHBondContact O-CB 3.38Å; S305-L308 PolarHBondContact O-N 3.23Å; S305-I309 WeakPolarHBondContact O-CG1 3.43Å; S305-I309 PolarHBondContact O-N 2.66Å; S305-F450 WeakPolarHBondContact OG-CE1 3.33Å; S305-L454 VanDerWaalsContact CB-CD2 3.45Å
306T98.8Very high97.4Very high0 Ų017.3 Ų17.30%010%0.103CC..Hα-helixtrans-61.2-40.6174.4-54.10000111.2V181 Y182 A302 I309 M310 P482 L486V181-T306 HydrophobicContact CB-CG2 4.46Å; V181-T306 HydrophobicContact CG1-CG2 4.03Å; Y182-T306 WeakPolarHBondContact CA-OG1 3.21Å; A302-T306 PolarHBondContact O-N 3.11Å; A302-T306 PolarHBondContact O-OG1 3.1Å; T306-I309 PolarHBondContact O-N 2.85Å; T306-M310 WeakPolarHBondContact O-CB 3.44Å; T306-M310 PolarHBondContact O-N 2.79Å; T306-P482 HydrophobicContact CG2-CG 3.77Å; T306-L486 HydrophobicContact CG2-CB 4.17Å; T306-L486 HydrophobicContact CG2-CD2 3.97Å
307S98.6Very high97.5Very high0 Ų019.8 Ų19.80%011%0.113CC..Hα-helixtrans-66.5-40178.4-570000111.8S303 A304 S305 M310 Q311 F365S303-S307 WeakPolarHBondContact O-CB 3.24Å; S303-S307 PolarHBondContact O-N 3.35Å; S303-S307 PolarHBondContact O-OG 3.02Å; A304-S307 PolarHBondContact O-N 3.12Å; S305-S307 VanDerWaalsContact C-N 3.29Å; S305-S307 PolarHBondContact O-N 3.18Å; S307-M310 PolarHBondContact O-N 3.2Å; S307-Q311 WeakPolarHBondContact O-CG 3.14Å; S307-Q311 PolarHBondContact O-N 2.94Å; S307-F365 WeakPolarHBondContact OG-CB 3.34Å
308L98.8Very high97.7Very high1 Ų119.8 Ų19.81%0.00511%0.112CC..Hα-helixtrans-58.9-51.8172.5172.565.9000111.1A304 S305 M310 Q311 L312 V357 V361 L451 L454 A455A304-L308 WeakPolarHBondContact O-CB 3.38Å; A304-L308 PolarHBondContact O-N 2.9Å; S305-L308 WeakPolarHBondContact O-CB 3.38Å; S305-L308 PolarHBondContact O-N 3.23Å; L308-M310 VanDerWaalsContact C-N 3.31Å; L308-M310 PolarHBondContact O-N 3.46Å; L308-Q311 PolarHBondContact O-N 3.42Å; L308-L312 HydrophobicContact CD1-CD1 3.93Å; L308-L312 HydrophobicContact CD1-CG 4.12Å; L308-L312 HydrophobicContact CG-CD1 4.08Å; L308-L312 WeakPolarHBondContact O-CG 3.41Å; L308-L312 PolarHBondContact O-N 3.35Å; L308-V357 HydrophobicContact CD1-CG1 4.05Å; L308-V361 HydrophobicContact CB-CG1 4.37Å; L308-V361 HydrophobicContact CB-CG2 4.49Å; L308-V361 HydrophobicContact CD1-CG2 4.09Å; L308-L451 HydrophobicContact CD2-CD2 4.46Å; L308-L454 HydrophobicContact CD2-CD2 4.42Å; L308-A455 HydrophobicContact CD2-CB 3.89Å
309I98.6Very high97.7Very high0 Ų020.4 Ų20.40%012%0.115CC..Hα-helixtrans-58.2-45.5178.6-68.3162.5000110.7W172 V181 S305 T306 Q311 L312 L313 L458 F464 L486 F490W172-I309 HydrophobicContact CH2-CD1 4.37Å; W172-I309 HydrophobicContact CZ3-CD1 4.01Å; V181-I309 HydrophobicContact CG1-CB 4.4Å; V181-I309 HydrophobicContact CG1-CD1 3.53Å; V181-I309 HydrophobicContact CG1-CG2 4.35Å; S305-I309 WeakPolarHBondContact O-CG1 3.43Å; S305-I309 PolarHBondContact O-N 2.66Å; T306-I309 PolarHBondContact O-N 2.85Å; I309-Q311 PolarHBondContact O-N 3.09Å; I309-L312 PolarHBondContact O-N 3.01Å; I309-L313 HydrophobicContact CG2-CD1 4.18Å; I309-L313 WeakPolarHBondContact O-CG 3.45Å; I309-L313 PolarHBondContact O-N 3.21Å; I309-L458 HydrophobicContact CD1-CD1 4.26Å; I309-L458 HydrophobicContact CG1-CD1 3.59Å; I309-F464 HydrophobicContact CG2-CD2 4.34Å; I309-F464 HydrophobicContact CG2-CE2 4.37Å; I309-L486 HydrophobicContact CG2-CD2 4.24Å; I309-F490 HydrophobicContact CG2-CZ 4.45Å
310M98.4Very high97.8Very high3 Ų322.1 Ų22.12%0.01512%0.121CC..Hα-helixtrans-60.3-42.2177.9-173.8177.861.500112.5T306 S307 L308 L313 K314 F365 F471 I474 P482 L486T306-M310 WeakPolarHBondContact O-CB 3.44Å; T306-M310 PolarHBondContact O-N 2.79Å; S307-M310 PolarHBondContact O-N 3.2Å; L308-M310 VanDerWaalsContact C-N 3.31Å; L308-M310 PolarHBondContact O-N 3.46Å; M310-L313 PolarHBondContact O-N 3.29Å; M310-K314 HydrophobicContact CG-CD 4.23Å; M310-K314 WeakPolarHBondContact O-CG 3.34Å; M310-K314 PolarHBondContact O-N 2.89Å; M310-F365 HydrophobicContact CE-CD1 4.06Å; M310-F365 HydrophobicContact CE-CE1 3.55Å; M310-F365 HydrophobicContact CE-CE2 4.34Å; M310-F365 HydrophobicContact CE-CZ 3.72Å; M310-F471 HydrophobicContact CG-CD1 3.87Å; M310-F471 HydrophobicContact CG-CE1 4.19Å; M310-I474 HydrophobicContact CE-CD1 3.8Å; M310-I474 HydrophobicContact CE-CG1 4.5Å; M310-I474 HydrophobicContact SD-CD1 3.93Å; M310-P482 HydrophobicContact SD-CG 4.43Å; M310-L486 HydrophobicContact CB-CD1 4.39Å; M310-L486 HydrophobicContact CB-CD2 3.83Å; M310-L486 HydrophobicContact CG-CD1 4.13Å; M310-L486 HydrophobicContact CG-CD2 4.46Å
311Q98.3Very high97.8Very high6 Ų623.5 Ų23.53%0.02812%0.123CC..Hα-helixtrans-71-38.4178.6-68.7-50.5-60.900112.1S307 L308 I309 L313 K314 H315 V361 F365 F412S307-Q311 WeakPolarHBondContact O-CG 3.14Å; S307-Q311 PolarHBondContact O-N 2.94Å; L308-Q311 PolarHBondContact O-N 3.42Å; I309-Q311 PolarHBondContact O-N 3.09Å; Q311-L313 VanDerWaalsContact C-N 3.3Å; Q311-L313 PolarHBondContact O-N 3.28Å; Q311-K314 PolarHBondContact O-N 3.14Å; Q311-H315 WeakPolarHBondContact O-CB 3.38Å; Q311-H315 PolarHBondContact O-CD2 2.76Å; Q311-H315 VanDerWaalsContact O-CD2 3.23Å; Q311-H315 PolarHBondContact O-N 2.95Å; Q311-H315 PolarHBondContact OE1-NE2 3.41Å; Q311-V361 HydrophobicContact CB-CG2 4.29Å; Q311-V361 HydrophobicContact CG-CG2 4.25Å; Q311-F365 HydrophobicContact CG-CD2 4.15Å; Q311-F365 HydrophobicContact CG-CE2 3.76Å; Q311-F412 HydrophobicContact CB-CD1 4.4Å; Q311-F412 HydrophobicContact CB-CD2 4.13Å; Q311-F412 HydrophobicContact CB-CE1 4.07Å; Q311-F412 HydrophobicContact CB-CE2 3.84Å; Q311-F412 HydrophobicContact CB-CG 4.43Å; Q311-F412 HydrophobicContact CB-CZ 3.79Å; Q311-F412 HydrophobicContact CG-CD2 3.75Å; Q311-F412 HydrophobicContact CG-CE2 3.76Å; Q311-F412 HydrophobicContact CG-CG 4.3Å; Q311-F412 HydrophobicContact CG-CZ 4.25Å; Q311-F412 VanDerWaalsContact OE1-CB 3.28Å
312L98.1Very high97.7Very high2 Ų223.1 Ų23.11%0.0112%0.121CC..Hα-helixtrans-64.6-34.9174.2-65.7176.2000112.1L308 I309 H315 V318 L319 V357 F464L308-L312 HydrophobicContact CD1-CD1 3.93Å; L308-L312 HydrophobicContact CD1-CG 4.12Å; L308-L312 HydrophobicContact CG-CD1 4.08Å; L308-L312 WeakPolarHBondContact O-CG 3.41Å; L308-L312 PolarHBondContact O-N 3.35Å; I309-L312 PolarHBondContact O-N 3.01Å; L312-H315 CarbonylContact O-C 3.55Å; L312-V318 HydrophobicContact CD2-CG1 4.26Å; L312-L319 HydrophobicContact CD1-CD1 4.42Å; L312-L319 HydrophobicContact CD2-CB 4.3Å; L312-L319 HydrophobicContact CD2-CD1 4.34Å; L312-V357 HydrophobicContact CD2-CG1 4.45Å; L312-F464 HydrophobicContact CB-CE2 4.22Å; L312-F464 HydrophobicContact CB-CZ 4.09Å
313L97.1Very high97.5Very high27 Ų2724.4 Ų24.414%0.14113%0.125CC..Hα-helixtrans-65-42.8171.6-82170.2000112.8I309 M310 Q311 H315 F464 F471 V488I309-L313 HydrophobicContact CG2-CD1 4.18Å; I309-L313 WeakPolarHBondContact O-CG 3.45Å; I309-L313 PolarHBondContact O-N 3.21Å; M310-L313 PolarHBondContact O-N 3.29Å; Q311-L313 VanDerWaalsContact C-N 3.3Å; Q311-L313 PolarHBondContact O-N 3.28Å; L313-H315 VanDerWaalsContact C-N 3.3Å; L313-F464 HydrophobicContact CD1-CD2 4.33Å; L313-F464 HydrophobicContact CD2-CD2 3.49Å; L313-F464 VanDerWaalsContact CD2-CD2 3.49Å; L313-F464 HydrophobicContact CD2-CE2 3.97Å; L313-F464 WeakPolarHBondContact CD2-O 3.12Å; L313-F464 HydrophobicContact CG-CD2 3.64Å; L313-F464 HydrophobicContact CG-CE2 3.78Å; L313-F471 HydrophobicContact CB-CE1 3.83Å; L313-F471 HydrophobicContact CB-CZ 3.9Å; L313-F471 HydrophobicContact CD1-CE1 4.38Å; L313-V488 HydrophobicContact CD1-CG1 4.26Å; L313-V488 HydrophobicContact CD1-CG2 3.65Å
314K96.8Very high97.4Very high74 Ų7429.7 Ų29.732%0.32215%0.15SC..Hα-helixtrans-71-25.7179.7-76.1169.2174.4-84.60113.1M310 Q311 F471M310-K314 HydrophobicContact CG-CD 4.23Å; M310-K314 WeakPolarHBondContact O-CG 3.34Å; M310-K314 PolarHBondContact O-N 2.89Å; Q311-K314 PolarHBondContact O-N 3.14Å; K314-F471 HydrophobicContact CB-CZ 4.29Å; K314-F471 HydrophobicContact CD-CD1 4.34Å; K314-F471 HydrophobicContact CD-CD2 4.48Å; K314-F471 HydrophobicContact CD-CE1 4.39Å; K314-F471 HydrophobicContact CD-CG 4.37Å; K314-F471 HydrophobicContact CD-CZ 4.5Å; K314-F471 VanDerWaalsContact CE-CG 3.41Å; K314-F471 HydrophobicContact CG-CD1 3.99Å; K314-F471 HydrophobicContact CG-CD2 3.85Å; K314-F471 HydrophobicContact CG-CE1 3.63Å; K314-F471 HydrophobicContact CG-CE2 3.48Å; K314-F471 VanDerWaalsContact CG-CE2 3.48Å; K314-F471 HydrophobicContact CG-CG 4.09Å; K314-F471 HydrophobicContact CG-CZ 3.36Å
315H97.5Very high97.3Very high54 Ų5430.8 Ų30.825%0.2516%0.155CC..  trans-129.973.1-171-57.7-74.2000111.7Q311 L312 L313 T317 V318 L319 F412Q311-H315 WeakPolarHBondContact O-CB 3.38Å; Q311-H315 PolarHBondContact O-CD2 2.76Å; Q311-H315 VanDerWaalsContact O-CD2 3.23Å; Q311-H315 PolarHBondContact O-N 2.95Å; Q311-H315 PolarHBondContact OE1-NE2 3.41Å; L312-H315 CarbonylContact O-C 3.55Å; L313-H315 VanDerWaalsContact C-N 3.3Å; H315-T317 PolarHBondContact O-N 2.64Å; H315-T317 VanDerWaalsContact O-N 3.17Å; H315-V318 HydrophobicContact CB-CB 3.97Å; H315-V318 HydrophobicContact CB-CG2 3.8Å; H315-V318 WeakPolarHBondContact O-CB 3.35Å; H315-V318 PolarHBondContact O-N 3.15Å; H315-L319 PolarHBondContact O-N 2.95Å; H315-F412 HydrophobicContact CB-CD1 4.31Å; H315-F412 AromaticContact CD2-CD1 3.35Å; H315-F412 WeakPolarHBondContact CD2-CD1 3.36Å; H315-F412 AromaticContact CD2-CG 3.86Å; H315-F412 AromaticContact CG-CD1 3.78Å; H315-F412 WeakPolarHBondContact NE2-CB 3.22Å; H315-F412 AromaticContact NE2-CD1 3.89Å; H315-F412 AromaticContact NE2-CG 3.99Å
316P95.3Very high97Very high57 Ų5730.7 Ų30.737%0.3715%0.154SC..Hα-helixtrans-56.3-32.7179.5-2634.8000113.9V318 L319 E320P316-V318 VanDerWaalsContact C-N 3.31Å; P316-V318 PolarHBondContact O-N 3.26Å; P316-L319 WeakPolarHBondContact O-CB 3.47Å; P316-L319 PolarHBondContact O-N 2.97Å; P316-E320 PolarHBondContact O-N 3.44Å
317T97.1Very high96.7Very high108 Ų10834.8 Ų34.866%0.66317%0.17SC*.Hα-helixtrans-64.1-34.8175.7540000112.6H315 E320 K321H315-T317 PolarHBondContact O-N 2.64Å; H315-T317 VanDerWaalsContact O-N 3.17Å; T317-E320 PolarHBondContact O-N 2.63Å; T317-K321 WeakPolarHBondContact O-CB 3.44Å; T317-K321 PolarHBondContact O-N 3.12Å
318V98.2Very high96.4Very high11 Ų1138.9 Ų38.97%0.06720%0.204CC..Hα-helixtrans-68.3-42173.5170.90000110.5L312 H315 P316 E320 K321 L322 Y353 V357 F412 P414L312-V318 HydrophobicContact CD2-CG1 4.26Å; H315-V318 HydrophobicContact CB-CB 3.97Å; H315-V318 HydrophobicContact CB-CG2 3.8Å; H315-V318 WeakPolarHBondContact O-CB 3.35Å; H315-V318 PolarHBondContact O-N 3.15Å; P316-V318 VanDerWaalsContact C-N 3.31Å; P316-V318 PolarHBondContact O-N 3.26Å; V318-E320 VanDerWaalsContact C-N 3.34Å; V318-K321 PolarHBondContact O-N 3.31Å; V318-L322 WeakPolarHBondContact O-CB 3.33Å; V318-L322 PolarHBondContact O-N 2.9Å; V318-Y353 HydrophobicContact CG1-CE1 4.26Å; V318-Y353 WeakPolarHBondContact CG1-OH 3.21Å; V318-V357 HydrophobicContact CG1-CG1 4.42Å; V318-V357 HydrophobicContact CG1-CG2 3.66Å; V318-F412 HydrophobicContact CB-CE1 4.43Å; V318-F412 HydrophobicContact CG1-CE1 4.07Å; V318-F412 HydrophobicContact CG2-CD1 4.42Å; V318-F412 HydrophobicContact CG2-CE1 4.09Å; V318-P414 HydrophobicContact CG1-CG 4.06Å; V318-P414 HydrophobicContact CG2-CG 4.12Å
319L96.3Very high96.1Very high16 Ų1642.9 Ų42.98%0.08422%0.222CC..Hα-helixtrans-62.1-41.5176.1178.559.5000111.5L312 H315 P316 L322 R323 A459 F464L312-L319 HydrophobicContact CD1-CD1 4.42Å; L312-L319 HydrophobicContact CD2-CB 4.3Å; L312-L319 HydrophobicContact CD2-CD1 4.34Å; H315-L319 PolarHBondContact O-N 2.95Å; P316-L319 WeakPolarHBondContact O-CB 3.47Å; P316-L319 PolarHBondContact O-N 2.97Å; L319-L322 WeakPolarHBondContact O-CB 3.41Å; L319-L322 PolarHBondContact O-N 3.11Å; L319-R323 WeakPolarHBondContact O-CG 3.46Å; L319-R323 PolarHBondContact O-N 3.1Å; L319-A459 HydrophobicContact CD1-CB 3.83Å; L319-F464 HydrophobicContact CD2-CE1 4.42Å; L319-F464 HydrophobicContact CD2-CZ 4.08Å
320E95.8Very high95.5Very high49 Ų4944.7 Ų44.723%0.22924%0.241CC..Hα-helixtrans-68.5-43.1178.4-167.255-142.300112.2P316 T317 V318 L322 R323 E324 R327P316-E320 PolarHBondContact O-N 3.44Å; T317-E320 PolarHBondContact O-N 2.63Å; V318-E320 VanDerWaalsContact C-N 3.34Å; E320-L322 PolarHBondContact O-N 3.1Å; E320-R323 CarbonylContact O-C 3.55Å; E320-R323 WeakPolarHBondContact O-CA 3.45Å; E320-R323 WeakPolarHBondContact O-CB 3.35Å; E320-R323 PolarHBondContact O-N 3.1Å; E320-R323 WeakPolarHBondContact OE2-CD 3.45Å; E320-R323 IonicContact OE2-NH1 2.89Å; E320-E324 WeakPolarHBondContact O-CG 3.39Å; E320-E324 PolarHBondContact O-N 3.19Å; E320-R327 IonicContact OE1-CZ 2.67Å; E320-R327 IonicContact OE1-NH1 3.64Å; E320-R327 PolarHBondContact OE1-NH1 2.96Å; E320-R327 IonicContact OE1-NH2 2.8Å; E320-R327 PolarHBondContact OE1-NH2 3.21Å
321K97.4Very high95Very high73 Ų7345.7 Ų45.732%0.31725%0.246SC..Hα-helixtrans-60.8-33173.9-174.9170.3165-171.40112.4T317 V318 E325 Y353 D415T317-K321 WeakPolarHBondContact O-CB 3.44Å; T317-K321 PolarHBondContact O-N 3.12Å; V318-K321 PolarHBondContact O-N 3.31Å; K321-E325 PolarHBondContact O-N 2.93Å; K321-E325 VanDerWaalsContact O-N 3.13Å; K321-Y353 HydrophobicContact CB-CD1 4.32Å; K321-Y353 HydrophobicContact CB-CE1 3.66Å; K321-Y353 HydrophobicContact CD-CD1 4.42Å; K321-Y353 HydrophobicContact CD-CD2 4.21Å; K321-Y353 HydrophobicContact CD-CE1 3.89Å; K321-Y353 HydrophobicContact CD-CE2 3.67Å; K321-Y353 VanDerWaalsContact CD-CZ 3.47Å; K321-Y353 HydrophobicContact CG-CD1 3.86Å; K321-Y353 HydrophobicContact CG-CD2 4.45Å; K321-Y353 HydrophobicContact CG-CE1 3.53Å; K321-Y353 HydrophobicContact CG-CE2 4.18Å; K321-Y353 HydrophobicContact CG-CG 4.3Å; K321-D415 IonicContact NZ-OD1 2.75Å; K321-D415 PolarHBondContact NZ-OD1 3.46Å; K321-D415 IonicContact NZ-OD2 3.73Å; K321-D415 PolarHBondContact NZ-OD2 3.31Å
322L96.3Very high94.2Very high0 Ų045.9 Ų45.90%025%0.247CC..Hα-helixtrans-66.7-44.9171-178.9157.2000111V318 L319 E320 E324 E325 L326 Y353 L354 A455 A459V318-L322 WeakPolarHBondContact O-CB 3.33Å; V318-L322 PolarHBondContact O-N 2.9Å; L319-L322 WeakPolarHBondContact O-CB 3.41Å; L319-L322 PolarHBondContact O-N 3.11Å; E320-L322 PolarHBondContact O-N 3.1Å; L322-E324 VanDerWaalsContact C-N 3.31Å; L322-E324 PolarHBondContact O-N 2.79Å; L322-E325 WeakPolarHBondContact O-CB 3.37Å; L322-E325 PolarHBondContact O-N 3.34Å; L322-E325 VanDerWaalsContact O-N 3.15Å; L322-L326 HydrophobicContact CD2-CD1 3.68Å; L322-L326 HydrophobicContact CD2-CG 4.02Å; L322-L326 WeakPolarHBondContact O-CG 3.48Å; L322-L326 PolarHBondContact O-N 3.06Å; L322-Y353 HydrophobicContact CB-CD1 4.27Å; L322-Y353 HydrophobicContact CB-CE1 4.28Å; L322-L354 HydrophobicContact CD1-CD1 3.76Å; L322-A455 HydrophobicContact CD1-CB 4.38Å; L322-A459 HydrophobicContact CD2-CB 3.21Å
323R94.7Very high92.8Very high27 Ų2750.2 Ų50.210%0.10227%0.267CS..Hα-helixtrans-60.6-38.5174.8-73.2173.7173146.90.1112.6L319 E320 L326 R327 L332 A459L319-R323 WeakPolarHBondContact O-CG 3.46Å; L319-R323 PolarHBondContact O-N 3.1Å; E320-R323 CarbonylContact O-C 3.55Å; E320-R323 WeakPolarHBondContact O-CA 3.45Å; E320-R323 WeakPolarHBondContact O-CB 3.35Å; E320-R323 PolarHBondContact O-N 3.1Å; E320-R323 WeakPolarHBondContact OE2-CD 3.45Å; E320-R323 IonicContact OE2-NH1 2.89Å; R323-L326 PolarHBondContact O-N 3.2Å; R323-R327 WeakPolarHBondContact O-CG 3.42Å; R323-R327 PolarHBondContact O-N 3.45Å; R323-L332 HydrophobicContact CB-CD2 4.03Å; R323-L332 HydrophobicContact CG-CD2 4.14Å; R323-A459 HydrophobicContact CG-CB 4.14Å; R323-A459 PolarHBondContact NE-O 2.89Å
324E95.7Very high90.7Very high111 Ų11155 Ų5552%0.51930%0.303SS..Hα-helixtrans-59.2-45.5172.5-70.2172.517300111.8E320 L322 L326 R327 A328E320-E324 WeakPolarHBondContact O-CG 3.39Å; E320-E324 PolarHBondContact O-N 3.19Å; L322-E324 VanDerWaalsContact C-N 3.31Å; L322-E324 PolarHBondContact O-N 2.79Å; E324-L326 VanDerWaalsContact C-N 3.33Å; E324-L326 PolarHBondContact O-N 3.22Å; E324-R327 PolarHBondContact O-N 3.18Å; E324-A328 PolarHBondContact O-N 2.56Å
325E96.3Very high88.7Confident26 Ų2653.7 Ų53.712%0.12131%0.31CS..Hα-helixtrans-60.5-41.9174.4-179175.2-117.800112K321 L322 A328 H329 L351 R352 Y353 L354K321-E325 PolarHBondContact O-N 2.93Å; K321-E325 VanDerWaalsContact O-N 3.13Å; L322-E325 WeakPolarHBondContact O-CB 3.37Å; L322-E325 PolarHBondContact O-N 3.34Å; L322-E325 VanDerWaalsContact O-N 3.15Å; E325-A328 PolarHBondContact O-N 3.33Å; E325-H329 PolarHBondContact O-N 3.49Å; E325-H329 PolarHBondContact O-ND1 2.81Å; E325-L351 HydrophobicContact CG-CD2 3.93Å; E325-R352 PolarHBondContact OE1-N 3.34Å; E325-Y353 WeakPolarHBondContact OE1-CB 3.38Å; E325-Y353 PolarHBondContact OE1-N 3.4Å; E325-Y353 WeakPolarHBondContact OE2-CB 3.45Å; E325-Y353 PolarHBondContact OE2-N 2.87Å; E325-L354 PolarHBondContact OE2-N 3.48Å
326L93.9Very high86.4Confident0 Ų051.2 Ų51.20%030%0.3CS..Hα-helixtrans-64.4-38.5176.7-61.9-176.7000112.2L322 R323 E324 H329 G330 I331 L332 L351 V456 A459L322-L326 HydrophobicContact CD2-CD1 3.68Å; L322-L326 HydrophobicContact CD2-CG 4.02Å; L322-L326 WeakPolarHBondContact O-CG 3.48Å; L322-L326 PolarHBondContact O-N 3.06Å; R323-L326 PolarHBondContact O-N 3.2Å; E324-L326 VanDerWaalsContact C-N 3.33Å; E324-L326 PolarHBondContact O-N 3.22Å; L326-H329 PolarHBondContact O-N 3.22Å; L326-G330 PolarHBondContact O-N 2.97Å; L326-I331 HydrophobicContact CB-CB 4.27Å; L326-I331 HydrophobicContact CD2-CD1 3.85Å; L326-I331 HydrophobicContact CD2-CG2 4.5Å; L326-I331 PolarHBondContact O-N 2.93Å; L326-L332 HydrophobicContact CB-CB 3.97Å; L326-L332 PolarHBondContact O-N 3.37Å; L326-L351 HydrophobicContact CD2-CD1 3.8Å; L326-L351 HydrophobicContact CD2-CD2 4.06Å; L326-V456 HydrophobicContact CD1-CG1 4.44Å; L326-V456 HydrophobicContact CD2-CG1 4.38Å; L326-V456 HydrophobicContact CD2-CG2 3.89Å; L326-A459 HydrophobicContact CD1-CB 3.87Å
327R91.7Very high84.1Confident85 Ų8551.9 Ų51.932%0.32131%0.305SS..Hα-helixtrans-64.6-43.4174.5-68.4175.8-161.5116.5-1.6111.4E320 R323 E324 H329 G330 L332E320-R327 IonicContact OE1-CZ 2.67Å; E320-R327 IonicContact OE1-NH1 3.64Å; E320-R327 PolarHBondContact OE1-NH1 2.96Å; E320-R327 IonicContact OE1-NH2 2.8Å; E320-R327 PolarHBondContact OE1-NH2 3.21Å; R323-R327 WeakPolarHBondContact O-CG 3.42Å; R323-R327 PolarHBondContact O-N 3.45Å; E324-R327 PolarHBondContact O-N 3.18Å; R327-H329 PolarHBondContact O-N 3.08Å; R327-G330 PolarHBondContact O-N 3.33Å; R327-L332 VanDerWaalsContact CA-O 3.31Å; R327-L332 WeakPolarHBondContact CA-O 3.28Å; R327-L332 HydrophobicContact CG-CB 3.89Å; R327-L332 HydrophobicContact CG-CD2 3.97Å; R327-L332 HydrophobicContact CG-CG 4Å; R327-L332 WeakPolarHBondContact CG-O 3.36Å
328A92.7Very high82Confident87 Ų8749.2 Ų49.272%0.71929%0.29SS*.Hα-helixtrans-62-27.7178.200000113.2E324 E325E324-A328 PolarHBondContact O-N 2.56Å; E325-A328 PolarHBondContact O-N 3.33Å
329H91.2Very high79.7Confident85 Ų8551.7 Ų51.739%0.39431%0.307SS..THydrogen-bonded Turntrans-93.86.7176.2-70.680.3000113.8E325 L326 R327 I331 G350 L351E325-H329 PolarHBondContact O-N 3.49Å; E325-H329 PolarHBondContact O-ND1 2.81Å; L326-H329 PolarHBondContact O-N 3.22Å; R327-H329 PolarHBondContact O-N 3.08Å; H329-I331 HydrophobicContact CB-CD1 4.14Å; H329-I331 HydrophobicContact CB-CG1 4.18Å; H329-I331 PolarHBondContact O-N 2.83Å; H329-G350 PolarHBondContact NE2-O 3.47Å; H329-L351 HydrophobicContact CB-CD2 4.09Å
330G86.9Confident77.8Confident38 Ų3860.8 Ų60.839%0.39235%0.349SS..THydrogen-bonded Turntrans67.119179.900000114.3L326 R327 H333L326-G330 PolarHBondContact O-N 2.97Å; R327-G330 PolarHBondContact O-N 3.33Å; G330-H333 PolarHBondContact O-CE1 3.3Å
331I87.1Confident76.3Confident24 Ų2460.4 Ų60.412%0.12336%0.357CS..SBendtrans-82.5-41.2175.8-58.6170.8000109.5L326 H329 T347 L351 V456L326-I331 HydrophobicContact CB-CB 4.27Å; L326-I331 HydrophobicContact CD2-CD1 3.85Å; L326-I331 HydrophobicContact CD2-CG2 4.5Å; L326-I331 PolarHBondContact O-N 2.93Å; H329-I331 HydrophobicContact CB-CD1 4.14Å; H329-I331 HydrophobicContact CB-CG1 4.18Å; H329-I331 PolarHBondContact O-N 2.83Å; I331-T347 HydrophobicContact CD1-CG2 3.69Å; I331-T347 HydrophobicContact CG1-CG2 4Å; I331-L351 HydrophobicContact CD1-CD1 3.94Å; I331-L351 HydrophobicContact CD1-CD2 3.92Å; I331-L351 HydrophobicContact CD1-CG 4.41Å; I331-V456 HydrophobicContact CG2-CG1 3.89Å
332L82.3Confident75.4Confident10 Ų1061.4 Ų61.45%0.05237%0.37CS..BIsolated β-bridgetrans-109121.4176.7-173.263.2000109.7R323 L326 R327R323-L332 HydrophobicContact CB-CD2 4.03Å; R323-L332 HydrophobicContact CG-CD2 4.14Å; L326-L332 HydrophobicContact CB-CB 3.97Å; L326-L332 PolarHBondContact O-N 3.37Å; R327-L332 VanDerWaalsContact CA-O 3.31Å; R327-L332 WeakPolarHBondContact CA-O 3.28Å; R327-L332 HydrophobicContact CG-CB 3.89Å; R327-L332 HydrophobicContact CG-CD2 3.97Å; R327-L332 HydrophobicContact CG-CG 4Å; R327-L332 WeakPolarHBondContact CG-O 3.36Å
333H69.1Low75.1Confident93 Ų9362 Ų6243%0.43137%0.373SS..  trans-93.7151.8-179-68.879.7000112.3G330 G335 G336 C339G330-H333 PolarHBondContact O-CE1 3.3Å; H333-G335 PolarHBondContact O-N 3.31Å; H333-G336 PolarHBondContact O-N 2.85Å; H333-C339 PolarHBondContact CE1-SG 3.21Å
334S52.7Low75Confident127 Ų12768.2 Ų68.289%0.88840%0.397SS*.THydrogen-bonded Turntrans-62.594.8172.4-60.50000109.6
335G53.8Low74.8Confident46 Ų4663.6 Ų63.647%0.47438%0.375SS..THydrogen-bonded Turntrans142.8-8-168.700000113.3H333 C337H333-G335 PolarHBondContact O-N 3.31Å; G335-C337 PolarHBondContact O-N 3Å; G335-C337 VanDerWaalsContact O-N 3.1Å
336G49.6Very low74.5Confident3 Ų367.9 Ų67.93%0.03140%0.399CS..SBendtrans698.4173.600000114.7H333 P338 N498H333-G336 PolarHBondContact O-N 2.85Å; G336-P338 WeakPolarHBondContact O-CD 3.09Å; G336-N498 VanDerWaalsContact CA-ND2 3.26Å; G336-N498 WeakPolarHBondContact CA-ND2 3.42Å; G336-N498 PolarHBondContact N-ND2 3.49Å
337C47.8Very low74.4Confident71 Ų7169.5 Ų69.548%0.4841%0.409SS..PPolyproline II helixtrans-85.2117.4173.5-148.80000108.3G335 C339G335-C337 PolarHBondContact O-N 3Å; G335-C337 VanDerWaalsContact O-N 3.1Å; C337-C339 PolarHBondContact O-N 2.71Å
338P52.3Low74.5Confident52 Ų5265.6 Ų65.634%0.33839%0.394SS..BIsolated β-bridgetrans-64.4117.7164.5-7.523.6000106.2G336 E340 T461G336-P338 WeakPolarHBondContact O-CD 3.09Å; P338-E340 PolarHBondContact O-N 3.02Å; P338-T461 HydrophobicContact CB-CG2 4.47Å; P338-T461 HydrophobicContact CG-CG2 3.91Å
339C50.7Low74.5Confident63 Ų6365 Ų6543%0.42639%0.385SS..PPolyproline II helixtrans-57.7141.6159.840.70000107.7H333 C337 G341H333-C339 PolarHBondContact CE1-SG 3.21Å; C337-C339 PolarHBondContact O-N 2.71Å; C339-G341 PolarHBondContact O-N 3.11Å
340E55.4Low74.7Confident207 Ų20762.2 Ų62.297%0.96738%0.38SS*.  trans-65.147.8171-67-179.8149.500111.6P338P338-E340 PolarHBondContact O-N 3.02Å
341G64.7Low75.1Confident40 Ų4060.4 Ų60.441%0.41236%0.361SS..PPolyproline II helixtrans-87.8119.8-177.400000110.2Q162 C339 L343Q162-G341 PolarHBondContact NE2-O 3.32Å; C339-G341 PolarHBondContact O-N 3.11Å; G341-L343 PolarHBondContact O-N 3.04Å
342T77.8Confident75.6Confident94 Ų9467.3 Ų67.358%0.57739%0.385SS*.PPolyproline II helixtrans-61.8124.5165.3-56.50000109P159P159-T342 HydrophobicContact CB-CG2 4.07Å; P159-T342 HydrophobicContact CG-CG2 3.97Å
343L91.1Very high76.4Confident13 Ų1368 Ų687%0.06839%0.387CS..PPolyproline II helixtrans-64.5144.2175.2-70.2169.1000110L158 Q162 G341 L348 V453 V456L158-L343 HydrophobicContact CD1-CB 4.25Å; L158-L343 HydrophobicContact CD2-CB 4.3Å; L158-L343 WeakPolarHBondContact CD2-O 3.46Å; L158-L343 HydrophobicContact CG-CB 4.46Å; Q162-L343 HydrophobicContact CG-CD1 4.1Å; G341-L343 PolarHBondContact O-N 3.04Å; L343-L348 HydrophobicContact CB-CD1 4.49Å; L343-L348 HydrophobicContact CD1-CD2 4.35Å; L343-L348 HydrophobicContact CD2-CD2 4.31Å; L343-V453 HydrophobicContact CD1-CB 4.49Å; L343-V453 HydrophobicContact CD1-CG1 4.05Å; L343-V453 HydrophobicContact CD1-CG2 4.19Å; L343-V456 HydrophobicContact CD1-CG1 4.23Å; L343-V456 HydrophobicContact CD2-CG1 4.17Å
344R91.6Very high77.8Confident158 Ų15863.5 Ų63.560%0.59637%0.367SS*.  trans-114151.2172-59.1-161.2-55-99-0.6110.9D346 T347 L348R344-D346 VanDerWaalsContact C-N 3.27Å; R344-D346 PolarHBondContact O-N 3.35Å; R344-T347 WeakPolarHBondContact O-CB 3.32Å; R344-T347 PolarHBondContact O-N 3.4Å; R344-L348 PolarHBondContact O-N 3.43Å; R344-L348 VanDerWaalsContact O-N 3.08Å
345L92.7Very high80Confident14 Ų1459.7 Ų59.77%0.07334%0.336CS..Hα-helixtrans-59.4-39177.6-74.6-174.5000112.4L154 E155 L158 T347 L348 S349 L449L154-L345 HydrophobicContact CB-CD1 4.41Å; E155-L345 HydrophobicContact CB-CD1 3.59Å; E155-L345 HydrophobicContact CB-CG 4.29Å; E155-L345 HydrophobicContact CG-CD1 4.07Å; E155-L345 HydrophobicContact CG-CG 4.36Å; L158-L345 HydrophobicContact CD2-CD2 3.98Å; L158-L345 HydrophobicContact CD2-CG 4.12Å; L345-T347 PolarHBondContact O-N 2.96Å; L345-L348 PolarHBondContact O-N 2.93Å; L345-S349 WeakPolarHBondContact O-CB 3.28Å; L345-S349 PolarHBondContact O-N 2.87Å; L345-S349 PolarHBondContact O-OG 3.37Å; L345-L449 HydrophobicContact CD2-CD1 3.5Å; L345-L449 VanDerWaalsContact CD2-CD1 3.5Å; L345-L449 HydrophobicContact CD2-CD2 3.93Å; L345-L449 HydrophobicContact CD2-CG 4.36Å
346D90.2Very high82.1Confident115 Ų11558 Ų5862%0.61532%0.317SS*.Hα-helixtrans-61.5-44.6177.6-68.6-20.7000111.8R344 L348 S349 G350R344-D346 VanDerWaalsContact C-N 3.27Å; R344-D346 PolarHBondContact O-N 3.35Å; D346-L348 PolarHBondContact O-N 2.78Å; D346-S349 WeakPolarHBondContact O-CB 3.46Å; D346-S349 PolarHBondContact O-N 3.36Å; D346-G350 PolarHBondContact O-N 3.4Å; D346-G350 VanDerWaalsContact O-N 3.12Å
347T90.9Very high84.4Confident35 Ų3557.9 Ų57.922%0.21532%0.316CS..Hα-helixtrans-59.8-48.7176.2-54.10000110.6I331 R344 L345 S349 G350I331-T347 HydrophobicContact CD1-CG2 3.69Å; I331-T347 HydrophobicContact CG1-CG2 4Å; R344-T347 WeakPolarHBondContact O-CB 3.32Å; R344-T347 PolarHBondContact O-N 3.4Å; L345-T347 PolarHBondContact O-N 2.96Å; T347-S349 PolarHBondContact O-N 3.19Å; T347-G350 PolarHBondContact O-N 2.91Å; T347-G350 VanDerWaalsContact O-N 3.08Å
348L94.7Very high86.9Confident2 Ų254.7 Ų54.71%0.0129%0.294CS..Hα-helixtrans-65.7-26.6178.6-68.1177.9000113.4L158 L343 R344 L345 D346 G350 L351 L449 K452 V453 V456L158-L348 HydrophobicContact CD1-CD1 3.87Å; L158-L348 HydrophobicContact CD2-CD1 4.08Å; L343-L348 HydrophobicContact CB-CD1 4.49Å; L343-L348 HydrophobicContact CD1-CD2 4.35Å; L343-L348 HydrophobicContact CD2-CD2 4.31Å; R344-L348 PolarHBondContact O-N 3.43Å; R344-L348 VanDerWaalsContact O-N 3.08Å; L345-L348 PolarHBondContact O-N 2.93Å; D346-L348 PolarHBondContact O-N 2.78Å; L348-G350 VanDerWaalsContact C-N 3.31Å; L348-L351 HydrophobicContact CD2-CD1 3.93Å; L348-L449 HydrophobicContact CD1-CD1 3.5Å; L348-K452 HydrophobicContact CB-CD 4.31Å; L348-K452 HydrophobicContact CD2-CB 4.41Å; L348-K452 PolarHBondContact O-NZ 2.91Å; L348-V453 HydrophobicContact CD1-CG2 3.84Å; L348-V456 HydrophobicContact CD2-CG2 3.99Å
349S92.2Very high89.1Confident75 Ų7554.4 Ų54.452%0.52429%0.287SS..Hα-helixtrans-75.4-23175.4-59.80000112.2L345 D346 T347L345-S349 WeakPolarHBondContact O-CB 3.28Å; L345-S349 PolarHBondContact O-N 2.87Å; L345-S349 PolarHBondContact O-OG 3.37Å; D346-S349 WeakPolarHBondContact O-CB 3.46Å; D346-S349 PolarHBondContact O-N 3.36Å; T347-S349 PolarHBondContact O-N 3.19Å
350G94.4Very high91.3Very high27 Ų2751.4 Ų51.428%0.27827%0.267SS..Hα-helixtrans-75.3-21.1173.700000114.8H329 D346 T347 L348 R352H329-G350 PolarHBondContact NE2-O 3.47Å; D346-G350 PolarHBondContact O-N 3.4Å; D346-G350 VanDerWaalsContact O-N 3.12Å; T347-G350 PolarHBondContact O-N 2.91Å; T347-G350 VanDerWaalsContact O-N 3.08Å; L348-G350 VanDerWaalsContact C-N 3.31Å; G350-R352 PolarHBondContact O-N 2.62Å
351L97.2Very high93.4Very high0 Ų041.6 Ų41.60%022%0.221CC..  trans-77.979.8-176.9-55.5178.1000112E325 L326 H329 I331 L348 L354 D355 V456E325-L351 HydrophobicContact CG-CD2 3.93Å; L326-L351 HydrophobicContact CD2-CD1 3.8Å; L326-L351 HydrophobicContact CD2-CD2 4.06Å; H329-L351 HydrophobicContact CB-CD2 4.09Å; I331-L351 HydrophobicContact CD1-CD1 3.94Å; I331-L351 HydrophobicContact CD1-CD2 3.92Å; I331-L351 HydrophobicContact CD1-CG 4.41Å; L348-L351 HydrophobicContact CD2-CD1 3.93Å; L351-L354 HydrophobicContact CB-CB 3.81Å; L351-L354 HydrophobicContact CB-CD2 4.05Å; L351-L354 HydrophobicContact CD1-CD2 3.65Å; L351-D355 PolarHBondContact O-N 2.64Å; L351-D355 VanDerWaalsContact O-N 3.1Å; L351-V456 HydrophobicContact CD1-CG2 3.82Å
352R97.1Very high94.9Very high169 Ų16940 Ų4064%0.63820%0.203SC*.Hα-helixtrans-69.8-39.4-173.6-65.8-177.2-178-174.62.4113.2E325 G350 D355 C356E325-R352 PolarHBondContact OE1-N 3.34Å; G350-R352 PolarHBondContact O-N 2.62Å; R352-D355 WeakPolarHBondContact O-CB 3.29Å; R352-D355 PolarHBondContact O-N 3.07Å; R352-C356 PolarHBondContact O-N 2.88Å; R352-C356 VanDerWaalsContact O-N 3.11Å; R352-C356 PolarHBondContact O-SG 3.17Å
353Y98.6Very high95.8Very high23 Ų2335.6 Ų35.69%0.0918%0.176CC..Hα-helixtrans-71.2-40.3178.2-176.6-110.5000110.8V318 K321 L322 E325 D355 C356 V357 P414V318-Y353 HydrophobicContact CG1-CE1 4.26Å; V318-Y353 WeakPolarHBondContact CG1-OH 3.21Å; K321-Y353 HydrophobicContact CB-CD1 4.32Å; K321-Y353 HydrophobicContact CB-CE1 3.66Å; K321-Y353 HydrophobicContact CD-CD1 4.42Å; K321-Y353 HydrophobicContact CD-CD2 4.21Å; K321-Y353 HydrophobicContact CD-CE1 3.89Å; K321-Y353 HydrophobicContact CD-CE2 3.67Å; K321-Y353 VanDerWaalsContact CD-CZ 3.47Å; K321-Y353 HydrophobicContact CG-CD1 3.86Å; K321-Y353 HydrophobicContact CG-CD2 4.45Å; K321-Y353 HydrophobicContact CG-CE1 3.53Å; K321-Y353 HydrophobicContact CG-CE2 4.18Å; K321-Y353 HydrophobicContact CG-CG 4.3Å; L322-Y353 HydrophobicContact CB-CD1 4.27Å; L322-Y353 HydrophobicContact CB-CE1 4.28Å; E325-Y353 WeakPolarHBondContact OE1-CB 3.38Å; E325-Y353 PolarHBondContact OE1-N 3.4Å; E325-Y353 WeakPolarHBondContact OE2-CB 3.45Å; E325-Y353 PolarHBondContact OE2-N 2.87Å; Y353-D355 VanDerWaalsContact C-N 3.27Å; Y353-D355 PolarHBondContact O-N 2.86Å; Y353-C356 HydrophobicContact CD2-CB 4.46Å; Y353-C356 WeakPolarHBondContact O-CA 3.46Å; Y353-C356 VanDerWaalsContact O-CB 3.24Å; Y353-C356 WeakPolarHBondContact O-CB 3.27Å; Y353-C356 PolarHBondContact O-N 2.91Å; Y353-V357 HydrophobicContact CD1-CG2 4.16Å; Y353-V357 HydrophobicContact CE1-CG2 3.78Å; Y353-V357 WeakPolarHBondContact O-CG2 3.49Å; Y353-V357 PolarHBondContact O-N 3.35Å; Y353-P414 HydrophobicContact CE2-CB 3.94Å
354L98.6Very high96Very high0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-55.6-41.8169.2174.858.9000112.3L322 E325 L351 C356 V357 I358 K452 A455 V456L322-L354 HydrophobicContact CD1-CD1 3.76Å; E325-L354 PolarHBondContact OE2-N 3.48Å; L351-L354 HydrophobicContact CB-CB 3.81Å; L351-L354 HydrophobicContact CB-CD2 4.05Å; L351-L354 HydrophobicContact CD1-CD2 3.65Å; L354-C356 VanDerWaalsContact C-N 3.29Å; L354-C356 PolarHBondContact O-N 2.84Å; L354-V357 PolarHBondContact O-N 2.86Å; L354-I358 HydrophobicContact CD1-CD1 3.9Å; L354-I358 HydrophobicContact CD1-CG1 4.13Å; L354-I358 HydrophobicContact CG-CD1 4.09Å; L354-I358 WeakPolarHBondContact O-CG1 3.46Å; L354-I358 PolarHBondContact O-N 2.75Å; L354-K452 HydrophobicContact CD2-CB 3.91Å; L354-K452 HydrophobicContact CD2-CD 4.42Å; L354-K452 HydrophobicContact CD2-CG 3.85Å; L354-K452 HydrophobicContact CG-CG 4.13Å; L354-A455 HydrophobicContact CD1-CB 3.39Å; L354-V456 HydrophobicContact CD2-CG2 3.87Å
355D98.3Very high96.2Very high47 Ų4730 Ų3025%0.25116%0.157SC..Hα-helixtrans-59-40.2172.8-92.1-40.8000112.5L351 R352 Y353 K359 K452L351-D355 PolarHBondContact O-N 2.64Å; L351-D355 VanDerWaalsContact O-N 3.1Å; R352-D355 WeakPolarHBondContact O-CB 3.29Å; R352-D355 PolarHBondContact O-N 3.07Å; Y353-D355 VanDerWaalsContact C-N 3.27Å; Y353-D355 PolarHBondContact O-N 2.86Å; D355-K359 WeakPolarHBondContact O-CB 3.19Å; D355-K359 VanDerWaalsContact O-CG 3.26Å; D355-K359 WeakPolarHBondContact O-CG 3.37Å; D355-K359 PolarHBondContact O-N 2.84Å; D355-K452 VanDerWaalsContact CG-CE 3.43Å; D355-K452 WeakPolarHBondContact OD1-CE 3.48Å; D355-K452 IonicContact OD1-NZ 3.12Å; D355-K452 PolarHBondContact OD1-NZ 2.97Å; D355-K452 IonicContact OD2-NZ 3.13Å; D355-K452 PolarHBondContact OD2-NZ 3.3Å
356C98.6Very high96.3Very high10 Ų1029.3 Ų29.37%0.06815%0.153CC..Hα-helixtrans-64.1-44.9176.1-64.70000111.8R352 Y353 L354 K359 E360 P414 F417R352-C356 PolarHBondContact O-N 2.88Å; R352-C356 VanDerWaalsContact O-N 3.11Å; R352-C356 PolarHBondContact O-SG 3.17Å; Y353-C356 HydrophobicContact CD2-CB 4.46Å; Y353-C356 WeakPolarHBondContact O-CA 3.46Å; Y353-C356 VanDerWaalsContact O-CB 3.24Å; Y353-C356 WeakPolarHBondContact O-CB 3.27Å; Y353-C356 PolarHBondContact O-N 2.91Å; L354-C356 VanDerWaalsContact C-N 3.29Å; L354-C356 PolarHBondContact O-N 2.84Å; C356-K359 PolarHBondContact O-N 3.25Å; C356-E360 PolarHBondContact O-N 2.67Å; C356-P414 HydrophobicContact CB-CB 4.16Å; C356-P414 WeakPolarHBondContact CB-O 3.34Å; C356-F417 HydrophobicContact CB-CB 4.17Å; C356-F417 VanDerWaalsContact SG-C 3.52Å; C356-F417 PolarHBondContact SG-O 2.99Å
357V98.8Very high96.6Very high0 Ų024.2 Ų24.20%013%0.126CC..Hα-helixtrans-59.5-52177171.90000110.6L308 L312 V318 Y353 L354 K359 E360 V361 F412 P414L308-V357 HydrophobicContact CD1-CG1 4.05Å; L312-V357 HydrophobicContact CD2-CG1 4.45Å; V318-V357 HydrophobicContact CG1-CG1 4.42Å; V318-V357 HydrophobicContact CG1-CG2 3.66Å; Y353-V357 HydrophobicContact CD1-CG2 4.16Å; Y353-V357 HydrophobicContact CE1-CG2 3.78Å; Y353-V357 WeakPolarHBondContact O-CG2 3.49Å; Y353-V357 PolarHBondContact O-N 3.35Å; L354-V357 PolarHBondContact O-N 2.86Å; V357-K359 VanDerWaalsContact C-N 3.27Å; V357-K359 PolarHBondContact O-N 3.03Å; V357-E360 PolarHBondContact O-N 3.05Å; V357-V361 WeakPolarHBondContact O-CG2 3.41Å; V357-V361 PolarHBondContact O-N 3.11Å; V357-F412 HydrophobicContact CG1-CZ 4.24Å; V357-P414 HydrophobicContact CG2-CB 3.93Å; V357-P414 HydrophobicContact CG2-CG 3.9Å
358I98.6Very high96.7Very high5 Ų526 Ų263%0.02613%0.133CC..Hα-helixtrans-61.4-39.8179-69.7171.1000110.6L354 E360 V361 M362 L451 K452L354-I358 HydrophobicContact CD1-CD1 3.9Å; L354-I358 HydrophobicContact CD1-CG1 4.13Å; L354-I358 HydrophobicContact CG-CD1 4.09Å; L354-I358 WeakPolarHBondContact O-CG1 3.46Å; L354-I358 PolarHBondContact O-N 2.75Å; I358-E360 VanDerWaalsContact C-N 3.34Å; I358-E360 PolarHBondContact O-N 2.72Å; I358-V361 PolarHBondContact O-N 3.43Å; I358-M362 HydrophobicContact CG2-CG 4.29Å; I358-M362 WeakPolarHBondContact O-CB 3.42Å; I358-M362 VanDerWaalsContact O-CG 3.24Å; I358-M362 WeakPolarHBondContact O-CG 3.29Å; I358-M362 PolarHBondContact O-N 3.32Å; I358-L451 HydrophobicContact CD1-CB 3.96Å; I358-L451 HydrophobicContact CG1-CB 4.28Å; I358-L451 HydrophobicContact CG2-CB 4.45Å; I358-L451 HydrophobicContact CG2-CD1 4.1Å; I358-K452 HydrophobicContact CD1-CB 4.08Å; I358-K452 HydrophobicContact CD1-CG 3.28Å
359K98.1Very high96.4Very high45 Ų4526.6 Ų26.620%0.19614%0.138CC..Hα-helixtrans-62-43.4179.3-82.6-177.3174.7-172.40112.1D355 C356 V357 M362 R363 F417 D424 Y431D355-K359 WeakPolarHBondContact O-CB 3.19Å; D355-K359 VanDerWaalsContact O-CG 3.26Å; D355-K359 WeakPolarHBondContact O-CG 3.37Å; D355-K359 PolarHBondContact O-N 2.84Å; C356-K359 PolarHBondContact O-N 3.25Å; V357-K359 VanDerWaalsContact C-N 3.27Å; V357-K359 PolarHBondContact O-N 3.03Å; K359-M362 PolarHBondContact O-N 3.36Å; K359-R363 PolarHBondContact O-N 3.14Å; K359-F417 HydrophobicContact CB-CB 4.28Å; K359-F417 HydrophobicContact CB-CD1 3.83Å; K359-F417 HydrophobicContact CB-CD2 3.6Å; K359-F417 HydrophobicContact CB-CE1 3.92Å; K359-F417 HydrophobicContact CB-CE2 3.72Å; K359-F417 HydrophobicContact CB-CG 3.64Å; K359-F417 HydrophobicContact CB-CZ 3.89Å; K359-F417 HydrophobicContact CD-CB 3.82Å; K359-F417 HydrophobicContact CD-CD1 3.47Å; K359-F417 VanDerWaalsContact CD-CD1 3.47Å; K359-F417 HydrophobicContact CD-CD2 4.48Å; K359-F417 HydrophobicContact CD-CE1 4.07Å; K359-F417 HydrophobicContact CD-CG 3.69Å; K359-F417 HydrophobicContact CG-CD1 4.27Å; K359-F417 HydrophobicContact CG-CG 4.36Å; K359-D424 IonicContact NZ-OD1 3.42Å; K359-D424 IonicContact NZ-OD2 2.82Å; K359-D424 PolarHBondContact NZ-OD2 2.96Å; K359-Y431 WeakPolarHBondContact CA-OH 3.31Å; K359-Y431 HydrophobicContact CG-CE1 4.12Å; K359-Y431 WeakPolarHBondContact O-CE2 3.37Å; K359-Y431 PolarHBondContact O-OH 2.88Å
360E98.4Very high96.5Very high0 Ų023.8 Ų23.80%012%0.121CC..Hα-helixtrans-70.6-38.9179.1-173.364.8-176.100112.5C356 V357 I358 M362 R363 L364 V411 F412 D413 R416 F417C356-E360 PolarHBondContact O-N 2.67Å; V357-E360 PolarHBondContact O-N 3.05Å; I358-E360 VanDerWaalsContact C-N 3.34Å; I358-E360 PolarHBondContact O-N 2.72Å; E360-M362 VanDerWaalsContact C-N 3.31Å; E360-M362 PolarHBondContact O-N 3.1Å; E360-R363 WeakPolarHBondContact O-CB 3.41Å; E360-R363 PolarHBondContact O-N 2.83Å; E360-R363 VanDerWaalsContact O-N 3.16Å; E360-R363 IonicContact OE1-CZ 3.54Å; E360-R363 IonicContact OE1-NE 2.79Å; E360-R363 PolarHBondContact OE1-NE 2.83Å; E360-R363 IonicContact OE1-NH2 2.79Å; E360-R363 PolarHBondContact OE1-NH2 3.22Å; E360-R363 IonicContact OE2-CZ 3.47Å; E360-R363 IonicContact OE2-NE 3.25Å; E360-R363 PolarHBondContact OE2-NE 3.19Å; E360-R363 IonicContact OE2-NH2 3.66Å; E360-L364 HydrophobicContact CG-CD1 4.15Å; E360-L364 PolarHBondContact O-N 3.37Å; E360-L364 WeakPolarHBondContact OE1-CD1 3.3Å; E360-V411 VanDerWaalsContact OE1-O 3.05Å; E360-F412 HydrophobicContact CB-CD2 4.35Å; E360-F412 HydrophobicContact CB-CE2 3.95Å; E360-F412 HydrophobicContact CG-CD2 3.6Å; E360-F412 HydrophobicContact CG-CE2 3.72Å; E360-F412 HydrophobicContact CG-CG 4.3Å; E360-D413 PolarHBondContact OE1-N 3.31Å; E360-R416 IonicContact OE2-CZ 2.7Å; E360-R416 IonicContact OE2-NH1 3.54Å; E360-R416 PolarHBondContact OE2-NH1 3.25Å; E360-F417 VanDerWaalsContact CA-CE2 3.48Å; E360-F417 HydrophobicContact CB-CD2 4.07Å; E360-F417 HydrophobicContact CB-CE2 3.73Å; E360-F417 HydrophobicContact CG-CE2 4.49Å; E360-F417 VanDerWaalsContact N-CE2 3.34Å; E360-F417 WeakPolarHBondContact OE2-CE2 3.49Å
361V98.3Very high96.4Very high2 Ų223 Ų231%0.01211%0.112CC..Hα-helixtrans-55.6-49.1169.7171.20000110.1L308 Q311 V357 I358 R363 F365 F412L308-V361 HydrophobicContact CB-CG1 4.37Å; L308-V361 HydrophobicContact CB-CG2 4.49Å; L308-V361 HydrophobicContact CD1-CG2 4.09Å; Q311-V361 HydrophobicContact CB-CG2 4.29Å; Q311-V361 HydrophobicContact CG-CG2 4.25Å; V357-V361 WeakPolarHBondContact O-CG2 3.41Å; V357-V361 PolarHBondContact O-N 3.11Å; I358-V361 PolarHBondContact O-N 3.43Å; V361-R363 VanDerWaalsContact C-N 3.29Å; V361-R363 PolarHBondContact O-N 2.83Å; V361-F365 WeakPolarHBondContact O-CA 3.13Å; V361-F365 WeakPolarHBondContact O-CB 3.29Å; V361-F365 PolarHBondContact O-N 2.68Å; V361-F412 HydrophobicContact CG2-CE2 3.67Å; V361-F412 HydrophobicContact CG2-CZ 4Å
362M97.4Very high96.3Very high7 Ų727.2 Ų27.23%0.03413%0.129CC..Hα-helixtrans-70.7-22.5-178.9-67.7-63.1-62.600113.4A304 I358 K359 E360 T366 P367 P433 F434 L451A304-M362 HydrophobicContact CB-SD 3.84Å; I358-M362 HydrophobicContact CG2-CG 4.29Å; I358-M362 WeakPolarHBondContact O-CB 3.42Å; I358-M362 VanDerWaalsContact O-CG 3.24Å; I358-M362 WeakPolarHBondContact O-CG 3.29Å; I358-M362 PolarHBondContact O-N 3.32Å; K359-M362 PolarHBondContact O-N 3.36Å; E360-M362 VanDerWaalsContact C-N 3.31Å; E360-M362 PolarHBondContact O-N 3.1Å; M362-T366 WeakPolarHBondContact O-CA 3.47Å; M362-T366 PolarHBondContact O-N 3.14Å; M362-T366 PolarHBondContact O-OG1 2.97Å; M362-P367 HydrophobicContact CE-CG 4.12Å; M362-P367 HydrophobicContact SD-CG 4.36Å; M362-P433 HydrophobicContact CB-CB 3.96Å; M362-P433 HydrophobicContact CB-CG 4.25Å; M362-P433 HydrophobicContact CE-CB 4Å; M362-F434 HydrophobicContact CE-CE1 4.07Å; M362-F434 HydrophobicContact CE-CE2 4.35Å; M362-F434 HydrophobicContact CE-CZ 3.79Å; M362-L451 HydrophobicContact SD-CD1 4.07Å
363R96.8Very high96.2Very high0 Ų019.8 Ų19.80%010%0.101CC..Hα-helixtrans-71.2-55.8174.2-170.5-167.964.880-6.7110.6K359 E360 V361 T366 H400 F406 V409 V411 R416 F417 Y431K359-R363 PolarHBondContact O-N 3.14Å; E360-R363 WeakPolarHBondContact O-CB 3.41Å; E360-R363 PolarHBondContact O-N 2.83Å; E360-R363 VanDerWaalsContact O-N 3.16Å; E360-R363 IonicContact OE1-CZ 3.54Å; E360-R363 IonicContact OE1-NE 2.79Å; E360-R363 PolarHBondContact OE1-NE 2.83Å; E360-R363 IonicContact OE1-NH2 2.79Å; E360-R363 PolarHBondContact OE1-NH2 3.22Å; E360-R363 IonicContact OE2-CZ 3.47Å; E360-R363 IonicContact OE2-NE 3.25Å; E360-R363 PolarHBondContact OE2-NE 3.19Å; E360-R363 IonicContact OE2-NH2 3.66Å; V361-R363 VanDerWaalsContact C-N 3.29Å; V361-R363 PolarHBondContact O-N 2.83Å; R363-T366 PolarHBondContact O-OG1 3.19Å; R363-H400 HydrophobicContact CG-CB 3.89Å; R363-H400 PolarHBondContact O-ND1 3.46Å; R363-H400 VanDerWaalsContact O-ND1 3.15Å; R363-F406 HydrophobicContact CG-CD2 4.36Å; R363-F406 HydrophobicContact CG-CE2 3.99Å; R363-V409 VanDerWaalsContact CZ-O 3.29Å; R363-V409 PolarHBondContact NH1-O 3.36Å; R363-V409 PolarHBondContact NH2-O 2.8Å; R363-V411 PolarHBondContact NH2-O 3.39Å; R363-R416 VanDerWaalsContact CD-NH1 3.33Å; R363-F417 HydrophobicContact CB-CZ 4.18Å; R363-Y431 HydrophobicContact CB-CD2 4.4Å; R363-Y431 HydrophobicContact CB-CE2 3.96Å; R363-Y431 HydrophobicContact CG-CD2 4.48Å
364L95.2Very high96.2Very high23 Ų2320.9 Ų20.912%0.1211%0.11CC..Hα-helixtrans-72.9-41.4-176.1-78.9164.2000112.5E360 V409 F412E360-L364 HydrophobicContact CG-CD1 4.15Å; E360-L364 PolarHBondContact O-N 3.37Å; E360-L364 WeakPolarHBondContact OE1-CD1 3.3Å; L364-V409 WeakPolarHBondContact CD2-O 3.42Å; L364-F412 HydrophobicContact CD1-CB 3.94Å; L364-F412 HydrophobicContact CD1-CD2 3.72Å; L364-F412 HydrophobicContact CD1-CG 4.33Å
365F95.5Very high96.1Very high31 Ų3121 Ų2114%0.13611%0.111CC..THydrogen-bonded Turntrans-117.753.1-173.4-57.2-80.1000110.5S307 M310 Q311 V361 P367 I474 L480S307-F365 WeakPolarHBondContact OG-CB 3.34Å; M310-F365 HydrophobicContact CE-CD1 4.06Å; M310-F365 HydrophobicContact CE-CE1 3.55Å; M310-F365 HydrophobicContact CE-CE2 4.34Å; M310-F365 HydrophobicContact CE-CZ 3.72Å; Q311-F365 HydrophobicContact CG-CD2 4.15Å; Q311-F365 HydrophobicContact CG-CE2 3.76Å; V361-F365 WeakPolarHBondContact O-CA 3.13Å; V361-F365 WeakPolarHBondContact O-CB 3.29Å; V361-F365 PolarHBondContact O-N 2.68Å; F365-P367 WeakPolarHBondContact O-CD 3.36Å; F365-P367 VanDerWaalsContact O-N 3.12Å; F365-I474 HydrophobicContact CE1-CG1 4.15Å; F365-L480 HydrophobicContact CB-CD1 4.26Å; F365-L480 HydrophobicContact CB-CD2 3.92Å; F365-L480 HydrophobicContact CD1-CD1 4.3Å; F365-L480 HydrophobicContact CD1-CD2 3.95Å; F365-L480 HydrophobicContact CG-CD2 4.42Å
366T94.7Very high96.1Very high0 Ų022.1 Ų22.10%012%0.116CC..  trans-60.7114.3177.4-52.70000110.3M362 R363 I368 I396 H400 P433M362-T366 WeakPolarHBondContact O-CA 3.47Å; M362-T366 PolarHBondContact O-N 3.14Å; M362-T366 PolarHBondContact O-OG1 2.97Å; R363-T366 PolarHBondContact O-OG1 3.19Å; T366-I368 VanDerWaalsContact C-N 3.29Å; T366-I368 WeakPolarHBondContact CG2-O 3.28Å; T366-I368 PolarHBondContact O-N 2.9Å; T366-I396 HydrophobicContact CG2-CG2 3.86Å; T366-H400 PolarHBondContact OG1-CE1 3.23Å; T366-H400 PolarHBondContact OG1-ND1 3.41Å; T366-P433 HydrophobicContact CG2-CB 4.3Å
367P95.4Very high96Very high7 Ų725.1 Ų25.15%0.04513%0.129CC..SBendtrans-57.4-40.1-171.8-29.937.4000113.8T300 A304 M362 F365 V479 L480T300-P367 WeakPolarHBondContact O-CG 3.36Å; A304-P367 HydrophobicContact CB-CG 3.92Å; M362-P367 HydrophobicContact CE-CG 4.12Å; M362-P367 HydrophobicContact SD-CG 4.36Å; F365-P367 WeakPolarHBondContact O-CD 3.36Å; F365-P367 VanDerWaalsContact O-N 3.12Å; P367-V479 HydrophobicContact CB-CG1 4.4Å; P367-L480 PolarHBondContact O-N 3.39Å; P367-L480 VanDerWaalsContact O-N 3.1Å
368I93.4Very high96Very high72 Ų7226.8 Ų26.837%0.36914%0.14SC..SBendtrans-110.1104.1175.1-57.6-59.2000108.7T300 T366 G370 V479T300-I368 HydrophobicContact CG2-CD1 3.82Å; T300-I368 HydrophobicContact CG2-CG1 3.71Å; T366-I368 VanDerWaalsContact C-N 3.29Å; T366-I368 WeakPolarHBondContact CG2-O 3.28Å; T366-I368 PolarHBondContact O-N 2.9Å; I368-G370 WeakPolarHBondContact CG2-O 3.44Å; I368-G370 PolarHBondContact O-N 2.6Å; I368-G370 VanDerWaalsContact O-N 3.15Å; I368-V479 HydrophobicContact CD1-CG2 3.95Å
369S89.5Confident96Very high15 Ų1527.2 Ų27.211%0.10514%0.142CC..  trans-68.3-12.6-173.3-710000114.6S395 I396 R397S369-S395 CarbonylContact O-C 3.55Å; S369-S395 WeakPolarHBondContact O-CA 3.21Å; S369-I396 PolarHBondContact O-N 2.65Å; S369-R397 PolarHBondContact O-N 3.47Å; S369-R397 PolarHBondContact OG-NH1 2.89Å; S369-R397 VanDerWaalsContact OG-NH1 3.1Å
370G92.9Very high95.9Very high16 Ų1629.4 Ų29.417%0.16515%0.152CC..EExtended strand (participates in β ladder)trans168.2-171.2-176.300000113I368 Y394I368-G370 WeakPolarHBondContact CG2-O 3.44Å; I368-G370 PolarHBondContact O-N 2.6Å; I368-G370 VanDerWaalsContact O-N 3.15Å; G370-Y394 WeakPolarHBondContact CA-O 3.11Å
371G93.1Very high95.9Very high10 Ų1029.6 Ų29.610%0.10315%0.153CC..EExtended strand (participates in β ladder)trans-150.3155.2-179.600000113.3M393 Y394G371-M393 WeakPolarHBondContact O-CA 3.38Å; G371-Y394 PolarHBondContact N-O 2.88Å; G371-Y394 WeakPolarHBondContact O-CD1 3.25Å; G371-Y394 VanDerWaalsContact O-CE1 3.31Å; G371-Y394 WeakPolarHBondContact O-CE1 3.32Å; G371-Y394 PolarHBondContact O-N 2.78Å
372Y94.3Very high95.8Very high89 Ų8933.4 Ų33.435%0.34917%0.174SC..EExtended strand (participates in β ladder)trans-94.8143.6177.6-66.4-92.5000111.3L93 E116 V392 M393L93-Y372 HydrophobicContact CD1-CD1 4.07Å; L93-Y372 HydrophobicContact CD1-CE1 4.08Å; L93-Y372 HydrophobicContact CD2-CE1 4.17Å; E116-Y372 PolarHBondContact N-O 3.06Å; E116-Y372 VanDerWaalsContact N-O 3.11Å; Y372-V392 CarbonylContact C-O 3.55Å; Y372-V392 WeakPolarHBondContact CA-O 3.3Å; Y372-M393 HydrophobicContact CD1-CB 3.78Å; Y372-M393 HydrophobicContact CD1-CG 4.03Å; Y372-M393 HydrophobicContact CD2-CG 4.46Å; Y372-M393 HydrophobicContact CE1-CB 3.74Å; Y372-M393 HydrophobicContact CE1-CG 3.76Å; Y372-M393 HydrophobicContact CE1-SD 3.71Å; Y372-M393 HydrophobicContact CE2-CE 4.13Å; Y372-M393 HydrophobicContact CE2-CG 4.22Å; Y372-M393 HydrophobicContact CE2-SD 4.16Å; Y372-M393 HydrophobicContact CG-CB 4.44Å; Y372-M393 HydrophobicContact CG-CG 4.37Å; Y372-M393 PolarHBondContact OH-SD 2.76Å; Y372-M393 VanDerWaalsContact OH-SD 3.36Å
373R96.6Very high95.7Very high13 Ų1334.6 Ų34.65%0.04919%0.187CC..EExtended strand (participates in β ladder)trans-140.1138.7-179.4-68.7-57.7178.4-79.8-3.8110.2I105 E109 V113 S114 S391 V392 Y394I105-R373 HydrophobicContact CG2-CG 4.06Å; E109-R373 VanDerWaalsContact OE2-CD 3.24Å; E109-R373 WeakPolarHBondContact OE2-CD 3.35Å; E109-R373 IonicContact OE2-CZ 3.31Å; E109-R373 IonicContact OE2-NE 3.23Å; E109-R373 PolarHBondContact OE2-NE 3.18Å; E109-R373 IonicContact OE2-NH2 3.56Å; V113-R373 HydrophobicContact CB-CB 3.97Å; V113-R373 HydrophobicContact CB-CG 4.29Å; V113-R373 HydrophobicContact CG1-CB 4.34Å; V113-R373 HydrophobicContact CG2-CB 4.37Å; V113-R373 HydrophobicContact CG2-CG 4.13Å; S114-R373 VanDerWaalsContact C-CD 3.49Å; S114-R373 CarbonylContact O-C 3.57Å; S114-R373 VanDerWaalsContact O-CA 3.25Å; S114-R373 WeakPolarHBondContact O-CA 3.44Å; S114-R373 WeakPolarHBondContact O-CD 3.33Å; R373-S391 CarbonylContact O-C 3.57Å; R373-S391 VanDerWaalsContact O-CA 3.3Å; R373-S391 WeakPolarHBondContact O-CA 3.44Å; R373-V392 HydrophobicContact CB-CB 4.49Å; R373-V392 PolarHBondContact N-O 3.18Å; R373-V392 PolarHBondContact O-N 3.12Å; R373-Y394 HydrophobicContact CG-CD1 4.31Å; R373-Y394 HydrophobicContact CG-CE1 4.2Å; R373-Y394 PolarHBondContact NH2-OH 3.11Å
374T97Very high95.8Very high46 Ų4636.2 Ų36.228%0.28220%0.195SC..EExtended strand (participates in β ladder)trans-90.6135165.7-52.80000109.1V113 S114 E116V113-T374 CarbonylContact C-O 3.52Å; V113-T374 VanDerWaalsContact CA-O 3.27Å; V113-T374 WeakPolarHBondContact CA-O 3.26Å; S114-T374 PolarHBondContact N-O 3.12Å; S114-T374 PolarHBondContact O-N 3.27Å; E116-T374 VanDerWaalsContact CD-OG1 3.32Å; E116-T374 PolarHBondContact OE2-OG1 3.44Å
375V97.9Very high95.9Very high2 Ų235.1 Ų35.11%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-79.1120.8179-178.80000110.1Q377 F379 I386 P387 G389 W390 V392V375-Q377 WeakPolarHBondContact CG1-O 3.47Å; V375-F379 HydrophobicContact CG1-CD1 4Å; V375-F379 HydrophobicContact CG1-CE1 3.83Å; V375-F379 HydrophobicContact CG2-CE1 4.19Å; V375-I386 HydrophobicContact CG1-CG2 4.39Å; V375-I386 HydrophobicContact CG2-CG2 3.61Å; V375-P387 WeakPolarHBondContact CB-O 3.23Å; V375-P387 WeakPolarHBondContact CG1-O 3.46Å; V375-G389 PolarHBondContact O-N 3.47Å; V375-W390 WeakPolarHBondContact CB-O 3.28Å; V375-W390 VanDerWaalsContact CG2-O 3.27Å; V375-W390 WeakPolarHBondContact CG2-O 3.29Å; V375-W390 PolarHBondContact N-O 3.21Å; V375-V392 HydrophobicContact CG2-CG2 3.48Å; V375-V392 VanDerWaalsContact CG2-CG2 3.48Å
376L97.6Very high96Very high71 Ų7133.7 Ų33.737%0.37218%0.182SC..SBendtrans-87-31.3-176.9-60.8179.5000112.7L112 K388L112-L376 PolarHBondContact O-N 2.92Å; L376-K388 VanDerWaalsContact O-CD 3.32Å; L376-K388 WeakPolarHBondContact O-CD 3.36Å; L376-K388 VanDerWaalsContact O-CE 3.28Å; L376-K388 WeakPolarHBondContact O-CE 3.42Å; L376-K388 WeakPolarHBondContact O-CG 3.44Å
377Q96.9Very high96.1Very high73 Ų7333.7 Ų33.734%0.34118%0.183SC..SBendtrans-146.6148.1177.560.4-179.110.800109.4H111 L112 V375 F379H111-Q377 PolarHBondContact CE1-NE2 2.96Å; H111-Q377 PolarHBondContact CE1-OE1 2.74Å; H111-Q377 PolarHBondContact ND1-NE2 3.12Å; L112-Q377 HydrophobicContact CD2-CG 3.97Å; V375-Q377 WeakPolarHBondContact CG1-O 3.47Å; Q377-F379 WeakPolarHBondContact O-CD1 3.21Å; Q377-F379 PolarHBondContact O-N 3.12Å
378T97.9Very high96.1Very high35 Ų3540.4 Ų40.422%0.21521%0.211CC..  trans-63.9132.5179.2-56.60000110.5D42 C45 Q385 I386 K388D42-T378 HydrophobicContact CB-CG2 3.78Å; D42-T378 WeakPolarHBondContact CB-OG1 3.46Å; D42-T378 WeakPolarHBondContact OD2-CB 3.24Å; D42-T378 PolarHBondContact OD2-OG1 3.32Å; C45-T378 HydrophobicContact CB-CG2 4.31Å; T378-Q385 HydrophobicContact CG2-CB 4.04Å; T378-I386 VanDerWaalsContact CA-O 3.27Å; T378-I386 WeakPolarHBondContact CA-O 3.38Å; T378-K388 PolarHBondContact OG1-N 3.04Å
379F98.1Very high96.1Very high15 Ų1539.5 Ų39.57%0.06622%0.22CC..EExtended strand (participates in β ladder)trans-143.216917769.2-84000111.9K104 I105 L112 V113 V375 Q377 L381 I386K104-F379 HydrophobicContact CD-CD2 4.43Å; I105-F379 HydrophobicContact CG1-CE2 4.39Å; I105-F379 HydrophobicContact CG1-CZ 4.22Å; L112-F379 HydrophobicContact CB-CD1 4.25Å; L112-F379 HydrophobicContact CB-CE1 4.4Å; L112-F379 HydrophobicContact CD2-CB 3.7Å; L112-F379 HydrophobicContact CD2-CD1 4.22Å; L112-F379 HydrophobicContact CD2-CG 4Å; V113-F379 HydrophobicContact CG1-CE1 3.82Å; V113-F379 HydrophobicContact CG1-CZ 4.05Å; V375-F379 HydrophobicContact CG1-CD1 4Å; V375-F379 HydrophobicContact CG1-CE1 3.83Å; V375-F379 HydrophobicContact CG2-CE1 4.19Å; Q377-F379 WeakPolarHBondContact O-CD1 3.21Å; Q377-F379 PolarHBondContact O-N 3.12Å; F379-L381 HydrophobicContact CD2-CD2 4.38Å; F379-L381 HydrophobicContact CD2-CG 4.11Å; F379-L381 HydrophobicContact CE2-CD1 3.75Å; F379-L381 HydrophobicContact CE2-CD2 3.85Å; F379-L381 HydrophobicContact CE2-CG 3.56Å; F379-L381 HydrophobicContact CZ-CD1 4.22Å; F379-L381 HydrophobicContact CZ-CG 4.47Å; F379-I386 HydrophobicContact CD1-CB 4.16Å; F379-I386 HydrophobicContact CD1-CG2 4.42Å; F379-I386 HydrophobicContact CD2-CG1 4.37Å; F379-I386 HydrophobicContact CE1-CB 3.98Å; F379-I386 HydrophobicContact CE1-CG2 3.8Å; F379-I386 HydrophobicContact CE2-CB 4.41Å; F379-I386 HydrophobicContact CE2-CG1 4.13Å; F379-I386 HydrophobicContact CG-CB 4.45Å; F379-I386 HydrophobicContact CZ-CB 4.11Å; F379-I386 HydrophobicContact CZ-CG1 4.22Å; F379-I386 HydrophobicContact CZ-CG2 3.94Å; F379-I386 PolarHBondContact N-O 3.25Å; F379-I386 WeakPolarHBondContact O-CB 3.49Å; F379-I386 WeakPolarHBondContact O-CG1 3.42Å; F379-I386 PolarHBondContact O-N 3.18Å
380E97.8Very high96.4Very high91 Ų9139.2 Ų39.243%0.42522%0.216SC..EExtended strand (participates in β ladder)trans-95.1138.2-178.2178.8179.6166.500113.1L47 K104 G383 F384L47-E380 HydrophobicContact CD1-CB 3.82Å; L47-E380 VanDerWaalsContact CD1-CD 3.46Å; L47-E380 HydrophobicContact CD1-CG 3.48Å; L47-E380 VanDerWaalsContact CD1-CG 3.48Å; L47-E380 WeakPolarHBondContact CD1-OE2 3.16Å; K104-E380 VanDerWaalsContact CE-O 3.31Å; K104-E380 WeakPolarHBondContact CE-O 3.34Å; K104-E380 PolarHBondContact NZ-O 3.4Å; E380-G383 WeakPolarHBondContact OE1-CA 3.47Å; E380-G383 PolarHBondContact OE1-N 3.34Å; E380-F384 CarbonylContact C-O 3.54Å; E380-F384 VanDerWaalsContact CA-O 3.27Å; E380-F384 WeakPolarHBondContact CA-O 3.33Å
381L97.8Very high96.6Very high3 Ų339 Ų392%0.01621%0.213CC..EExtended strand (participates in β ladder)trans-136.3132160.9-64.6174.1000109.4V83 V96 N101 K104 I105 F379 G383 F384 I386V83-L381 HydrophobicContact CG1-CB 4.24Å; V83-L381 HydrophobicContact CG2-CB 3.98Å; V96-L381 HydrophobicContact CG1-CD1 4.07Å; V96-L381 HydrophobicContact CG2-CD1 3.81Å; N101-L381 HydrophobicContact CB-CD2 4.09Å; K104-L381 HydrophobicContact CB-CD2 4.12Å; K104-L381 HydrophobicContact CD-CD2 3.87Å; K104-L381 HydrophobicContact CG-CD2 4.32Å; I105-L381 HydrophobicContact CD1-CD1 3.93Å; I105-L381 HydrophobicContact CG1-CD1 4.15Å; F379-L381 HydrophobicContact CD2-CD2 4.38Å; F379-L381 HydrophobicContact CD2-CG 4.11Å; F379-L381 HydrophobicContact CE2-CD1 3.75Å; F379-L381 HydrophobicContact CE2-CD2 3.85Å; F379-L381 HydrophobicContact CE2-CG 3.56Å; F379-L381 HydrophobicContact CZ-CD1 4.22Å; F379-L381 HydrophobicContact CZ-CG 4.47Å; L381-G383 PolarHBondContact O-N 2.8Å; L381-G383 VanDerWaalsContact O-N 3.15Å; L381-F384 PolarHBondContact N-O 3.05Å; L381-F384 WeakPolarHBondContact O-CB 3.39Å; L381-F384 PolarHBondContact O-N 2.81Å; L381-I386 HydrophobicContact CB-CD1 4.08Å; L381-I386 HydrophobicContact CB-CG1 4.07Å; L381-I386 HydrophobicContact CD1-CD1 4.02Å; L381-I386 HydrophobicContact CD1-CG1 3.78Å; L381-I386 HydrophobicContact CG-CD1 4.26Å; L381-I386 HydrophobicContact CG-CG1 3.81Å
382D95.4Very high96.8Very high83 Ų8338.5 Ų38.544%0.44421%0.208SC..THydrogen-bonded Turntrans43.744.2-179.6-70.3-8.4000114.6V83 N101 F384V83-D382 HydrophobicContact CB-CB 4.45Å; V83-D382 HydrophobicContact CG2-CB 3.94Å; N101-D382 PolarHBondContact ND2-OD1 2.97Å; N101-D382 PolarHBondContact ND2-OD2 3.42Å; N101-D382 PolarHBondContact OD1-OD1 2.98Å; N101-D382 VanDerWaalsContact OD1-OD1 3.12Å; D382-F384 VanDerWaalsContact C-N 3.26Å; D382-F384 HydrophobicContact CB-CD2 4.34Å; D382-F384 WeakPolarHBondContact O-CD2 3.17Å; D382-F384 WeakPolarHBondContact O-CE2 3.02Å; D382-F384 PolarHBondContact O-N 2.91Å
383G96.6Very high96.8Very high31 Ų3135.7 Ų35.732%0.3220%0.198SC..THydrogen-bonded Turntrans7411.2-179.600000115.1E380 L381E380-G383 WeakPolarHBondContact OE1-CA 3.47Å; E380-G383 PolarHBondContact OE1-N 3.34Å; L381-G383 PolarHBondContact O-N 2.8Å; L381-G383 VanDerWaalsContact O-N 3.15Å
384F97.8Very high96.8Very high35 Ų3536 Ų3615%0.15420%0.199CC..EExtended strand (participates in β ladder)trans-114.4145.9177-59.7-75.1000112.2P48 P50 K51 V83 E380 L381 D382P48-F384 HydrophobicContact CG-CD1 3.91Å; P48-F384 HydrophobicContact CG-CE1 4.17Å; P48-F384 CarbonylContact O-C 3.58Å; P48-F384 VanDerWaalsContact O-CA 3.29Å; P48-F384 WeakPolarHBondContact O-CA 3.38Å; P50-F384 VanDerWaalsContact CA-CD1 3.5Å; P50-F384 HydrophobicContact CB-CB 4.4Å; P50-F384 HydrophobicContact CB-CG 4.28Å; P50-F384 HydrophobicContact CG-CB 3.69Å; P50-F384 HydrophobicContact CG-CG 4.1Å; K51-F384 HydrophobicContact CG-CE1 4.32Å; K51-F384 HydrophobicContact CG-CZ 4.34Å; V83-F384 HydrophobicContact CB-CD2 4.4Å; V83-F384 HydrophobicContact CG1-CD2 4.47Å; E380-F384 CarbonylContact C-O 3.54Å; E380-F384 VanDerWaalsContact CA-O 3.27Å; E380-F384 WeakPolarHBondContact CA-O 3.33Å; L381-F384 PolarHBondContact N-O 3.05Å; L381-F384 WeakPolarHBondContact O-CB 3.39Å; L381-F384 PolarHBondContact O-N 2.81Å; D382-F384 VanDerWaalsContact C-N 3.26Å; D382-F384 HydrophobicContact CB-CD2 4.34Å; D382-F384 WeakPolarHBondContact O-CD2 3.17Å; D382-F384 WeakPolarHBondContact O-CE2 3.02Å; D382-F384 PolarHBondContact O-N 2.91Å
385Q97.3Very high96.7Very high0 Ų033.9 Ų33.90%019%0.186CC..EExtended strand (participates in β ladder)trans-78.1134.2168.663.4167.3-88.700111.3R41 D42 C45 L47 P48 I49 P50 T378 P387R41-Q385 VanDerWaalsContact CG-CD 3.44Å; R41-Q385 VanDerWaalsContact CG-OE1 3.29Å; D42-Q385 VanDerWaalsContact CB-OE1 3.32Å; D42-Q385 PolarHBondContact O-NE2 2.84Å; D42-Q385 VanDerWaalsContact O-NE2 3.1Å; C45-Q385 HydrophobicContact CB-CB 4.26Å; C45-Q385 PolarHBondContact O-NE2 2.99Å; L47-Q385 HydrophobicContact CB-CB 4.2Å; L47-Q385 WeakPolarHBondContact O-CG 3.49Å; L47-Q385 PolarHBondContact O-NE2 3.46Å; P48-Q385 WeakPolarHBondContact O-CG 3.42Å; P48-Q385 PolarHBondContact O-N 3.37Å; I49-Q385 HydrophobicContact CG1-CG 4.1Å; P50-Q385 WeakPolarHBondContact CD-O 3.33Å; T378-Q385 HydrophobicContact CG2-CB 4.04Å; Q385-P387 WeakPolarHBondContact O-CD 3.18Å
386I97.8Very high96.6Very high0 Ų034 Ų340%019%0.187CC..EExtended strand (participates in β ladder)trans-10499172.9-49.7-52.1000106.2P50 V83 I94 V375 T378 F379 L381 V392P50-I386 HydrophobicContact CG-CD1 3.87Å; V83-I386 HydrophobicContact CG1-CD1 3.98Å; I94-I386 HydrophobicContact CD1-CB 4.28Å; I94-I386 HydrophobicContact CD1-CD1 3.87Å; I94-I386 HydrophobicContact CD1-CG2 3.66Å; I94-I386 HydrophobicContact CG2-CD1 4.14Å; V375-I386 HydrophobicContact CG1-CG2 4.39Å; V375-I386 HydrophobicContact CG2-CG2 3.61Å; T378-I386 VanDerWaalsContact CA-O 3.27Å; T378-I386 WeakPolarHBondContact CA-O 3.38Å; F379-I386 HydrophobicContact CD1-CB 4.16Å; F379-I386 HydrophobicContact CD1-CG2 4.42Å; F379-I386 HydrophobicContact CD2-CG1 4.37Å; F379-I386 HydrophobicContact CE1-CB 3.98Å; F379-I386 HydrophobicContact CE1-CG2 3.8Å; F379-I386 HydrophobicContact CE2-CB 4.41Å; F379-I386 HydrophobicContact CE2-CG1 4.13Å; F379-I386 HydrophobicContact CG-CB 4.45Å; F379-I386 HydrophobicContact CZ-CB 4.11Å; F379-I386 HydrophobicContact CZ-CG1 4.22Å; F379-I386 HydrophobicContact CZ-CG2 3.94Å; F379-I386 PolarHBondContact N-O 3.25Å; F379-I386 WeakPolarHBondContact O-CB 3.49Å; F379-I386 WeakPolarHBondContact O-CG1 3.42Å; F379-I386 PolarHBondContact O-N 3.18Å; L381-I386 HydrophobicContact CB-CD1 4.08Å; L381-I386 HydrophobicContact CB-CG1 4.07Å; L381-I386 HydrophobicContact CD1-CD1 4.02Å; L381-I386 HydrophobicContact CD1-CG1 3.78Å; L381-I386 HydrophobicContact CG-CD1 4.26Å; L381-I386 HydrophobicContact CG-CG1 3.81Å; I386-V392 HydrophobicContact CG2-CG2 3.56Å
387P96.1Very high96.4Very high1 Ų131.9 Ų31.91%0.00617%0.174CC..  trans-69.7145.2-167.4-18.832.8000112.7I49 V375 Q385 G389 W390I49-P387 HydrophobicContact CD1-CG 4.31Å; I49-P387 HydrophobicContact CG1-CG 4.22Å; V375-P387 WeakPolarHBondContact CB-O 3.23Å; V375-P387 WeakPolarHBondContact CG1-O 3.46Å; Q385-P387 WeakPolarHBondContact O-CD 3.18Å; P387-G389 PolarHBondContact O-N 3.4Å; P387-W390 HydrophobicContact CB-CG 4.38Å; P387-W390 WeakPolarHBondContact O-CB 3.22Å; P387-W390 PolarHBondContact O-N 2.97Å
388K96.4Very high96.2Very high147 Ų14728.5 Ų28.564%0.63916%0.158SC*.THydrogen-bonded Turntrans-50.5138.1170.4179.1175.6178.8178.50111.9L376 T378 W390L376-K388 VanDerWaalsContact O-CD 3.32Å; L376-K388 WeakPolarHBondContact O-CD 3.36Å; L376-K388 VanDerWaalsContact O-CE 3.28Å; L376-K388 WeakPolarHBondContact O-CE 3.42Å; L376-K388 WeakPolarHBondContact O-CG 3.44Å; T378-K388 PolarHBondContact OG1-N 3.04Å; K388-W390 VanDerWaalsContact C-N 3.28Å; K388-W390 PolarHBondContact O-N 2.82Å
389G94.2Very high96Very high54 Ų5426.9 Ų26.956%0.55715%0.148SC*.THydrogen-bonded Turntrans84.5-11.8176.900000115.1V375 P387V375-G389 PolarHBondContact O-N 3.47Å; P387-G389 PolarHBondContact O-N 3.4Å
390W95.2Very high95.9Very high8 Ų826.2 Ų26.23%0.0315%0.145CC..  trans-72.8155.5171.6-78.653.8000111.3W37 T40 M54 K85 P92 I94 V375 P387 K388W37-W390 HydrophobicContact CE3-CZ2 4.16Å; T40-W390 VanDerWaalsContact OG1-CZ2 3.22Å; T40-W390 WeakPolarHBondContact OG1-CZ2 3.21Å; T40-W390 PolarHBondContact OG1-NE1 3.04Å; M54-W390 HydrophobicContact CE-CH2 3.91Å; M54-W390 HydrophobicContact CE-CZ3 4.29Å; M54-W390 HydrophobicContact SD-CH2 4.09Å; M54-W390 HydrophobicContact SD-CZ3 4.44Å; K85-W390 HydrophobicContact CB-CZ3 4.02Å; K85-W390 HydrophobicContact CD-CH2 4.38Å; P92-W390 HydrophobicContact CB-CD2 3.97Å; P92-W390 HydrophobicContact CB-CE3 3.74Å; P92-W390 HydrophobicContact CB-CH2 4.1Å; P92-W390 HydrophobicContact CB-CZ2 4.28Å; P92-W390 HydrophobicContact CB-CZ3 3.81Å; P92-W390 HydrophobicContact CG-CD2 4.39Å; I94-W390 HydrophobicContact CD1-CE3 3.96Å; I94-W390 HydrophobicContact CG1-CE3 3.71Å; I94-W390 HydrophobicContact CG1-CZ3 4.13Å; V375-W390 WeakPolarHBondContact CB-O 3.28Å; V375-W390 VanDerWaalsContact CG2-O 3.27Å; V375-W390 WeakPolarHBondContact CG2-O 3.29Å; V375-W390 PolarHBondContact N-O 3.21Å; P387-W390 HydrophobicContact CB-CG 4.38Å; P387-W390 WeakPolarHBondContact O-CB 3.22Å; P387-W390 PolarHBondContact O-N 2.97Å; K388-W390 VanDerWaalsContact C-N 3.28Å; K388-W390 PolarHBondContact O-N 2.82Å
391S95.9Very high95.5Very high12 Ų1223.9 Ų23.98%0.08414%0.136CC..EExtended strand (participates in β ladder)trans-86.6143.9167.3-61.30000110.1L93 I94 E116 R373L93-S391 CarbonylContact C-O 3.59Å; L93-S391 WeakPolarHBondContact CA-O 3.48Å; I94-S391 PolarHBondContact N-O 2.96Å; E116-S391 PolarHBondContact OE1-OG 2.73Å; E116-S391 PolarHBondContact OE2-OG 3.1Å; R373-S391 CarbonylContact O-C 3.57Å; R373-S391 VanDerWaalsContact O-CA 3.3Å; R373-S391 WeakPolarHBondContact O-CA 3.44Å
392V97.2Very high95.2Very high0 Ų026 Ų260%015%0.149CC..EExtended strand (participates in β ladder)trans-121.1134.1171.3172.60000107.8I94 V96 I105 Y372 R373 V375 I386I94-V392 HydrophobicContact CB-CG2 4.16Å; I94-V392 CarbonylContact O-C 3.6Å; I94-V392 VanDerWaalsContact O-CA 3.29Å; I94-V392 WeakPolarHBondContact O-CA 3.32Å; V96-V392 HydrophobicContact CB-CG1 4.36Å; V96-V392 HydrophobicContact CG2-CG1 3.71Å; I105-V392 HydrophobicContact CD1-CG1 3.57Å; I105-V392 HydrophobicContact CG1-CG1 4.39Å; Y372-V392 CarbonylContact C-O 3.55Å; Y372-V392 WeakPolarHBondContact CA-O 3.3Å; R373-V392 HydrophobicContact CB-CB 4.49Å; R373-V392 PolarHBondContact N-O 3.18Å; R373-V392 PolarHBondContact O-N 3.12Å; V375-V392 HydrophobicContact CG2-CG2 3.48Å; V375-V392 VanDerWaalsContact CG2-CG2 3.48Å; I386-V392 HydrophobicContact CG2-CG2 3.56Å
393M95.8Very high95Very high30 Ų3022.4 Ų22.415%0.14813%0.131CC..EExtended strand (participates in β ladder)trans-118.4105.2170-176.8-162.5-179.600108.5L93 I94 R95 V96 G371 Y372L93-M393 HydrophobicContact CD1-CB 3.77Å; L93-M393 HydrophobicContact CD2-CB 4.12Å; L93-M393 HydrophobicContact CD2-SD 4.41Å; L93-M393 HydrophobicContact CG-CB 4.3Å; I94-M393 PolarHBondContact O-N 3.39Å; R95-M393 PolarHBondContact NH1-O 3.44Å; R95-M393 PolarHBondContact NH1-SD 3.24Å; V96-M393 PolarHBondContact N-O 3.36Å; V96-M393 VanDerWaalsContact N-O 3.1Å; G371-M393 WeakPolarHBondContact O-CA 3.38Å; Y372-M393 HydrophobicContact CD1-CB 3.78Å; Y372-M393 HydrophobicContact CD1-CG 4.03Å; Y372-M393 HydrophobicContact CD2-CG 4.46Å; Y372-M393 HydrophobicContact CE1-CB 3.74Å; Y372-M393 HydrophobicContact CE1-CG 3.76Å; Y372-M393 HydrophobicContact CE1-SD 3.71Å; Y372-M393 HydrophobicContact CE2-CE 4.13Å; Y372-M393 HydrophobicContact CE2-CG 4.22Å; Y372-M393 HydrophobicContact CE2-SD 4.16Å; Y372-M393 HydrophobicContact CG-CB 4.44Å; Y372-M393 HydrophobicContact CG-CG 4.37Å; Y372-M393 PolarHBondContact OH-SD 2.76Å; Y372-M393 VanDerWaalsContact OH-SD 3.36Å
394Y96.7Very high94.6Very high18 Ų1826.1 Ų26.17%0.07115%0.149CC..EExtended strand (participates in β ladder)trans-77.8147.4171.867.4-90.5000109.9V96 V102 I105 L106 G370 G371 R373 I396V96-Y394 CarbonylContact O-C 3.52Å; V96-Y394 WeakPolarHBondContact O-CA 3.19Å; V102-Y394 HydrophobicContact CG1-CD2 3.92Å; V102-Y394 HydrophobicContact CG1-CG 4.34Å; I105-Y394 HydrophobicContact CG2-CD1 4.02Å; L106-Y394 HydrophobicContact CD1-CE2 4.37Å; L106-Y394 HydrophobicContact CD2-CD1 4.32Å; L106-Y394 HydrophobicContact CD2-CD2 4.42Å; L106-Y394 HydrophobicContact CD2-CE1 3.76Å; L106-Y394 HydrophobicContact CD2-CE2 3.88Å; L106-Y394 HydrophobicContact CG-CE2 4.48Å; G370-Y394 WeakPolarHBondContact CA-O 3.11Å; G371-Y394 PolarHBondContact N-O 2.88Å; G371-Y394 WeakPolarHBondContact O-CD1 3.25Å; G371-Y394 VanDerWaalsContact O-CE1 3.31Å; G371-Y394 WeakPolarHBondContact O-CE1 3.32Å; G371-Y394 PolarHBondContact O-N 2.78Å; R373-Y394 HydrophobicContact CG-CD1 4.31Å; R373-Y394 HydrophobicContact CG-CE1 4.2Å; R373-Y394 PolarHBondContact NH2-OH 3.11Å; Y394-I396 HydrophobicContact CD2-CG1 4.15Å; Y394-I396 HydrophobicContact CE2-CD1 4.04Å; Y394-I396 HydrophobicContact CE2-CG1 3.87Å
395S95.1Very high94.3Very high2 Ų225.4 Ų25.41%0.01415%0.148CC..EExtended strand (participates in β ladder)trans-115116.5178.8-146.50000110.4R95 V96 S369 D398 T399R95-S395 PolarHBondContact NH2-OG 3.3Å; V96-S395 PolarHBondContact O-N 2.63Å; S369-S395 CarbonylContact O-C 3.55Å; S369-S395 WeakPolarHBondContact O-CA 3.21Å; S395-D398 VanDerWaalsContact CB-OD2 3.23Å; S395-D398 WeakPolarHBondContact CB-OD2 3.46Å; S395-D398 PolarHBondContact OG-OD2 2.69Å; S395-T399 VanDerWaalsContact O-CB 3.28Å; S395-T399 WeakPolarHBondContact O-CB 3.37Å; S395-T399 PolarHBondContact O-N 2.78Å; S395-T399 PolarHBondContact O-OG1 3.04Å
396I95.6Very high94.1Very high6 Ų625.8 Ų25.83%0.03115%0.149CC..Hα-helixtrans-73.1-49.8172-65.8172.8000109.2T366 S369 Y394 T399 H400 L432T366-I396 HydrophobicContact CG2-CG2 3.86Å; S369-I396 PolarHBondContact O-N 2.65Å; Y394-I396 HydrophobicContact CD2-CG1 4.15Å; Y394-I396 HydrophobicContact CE2-CD1 4.04Å; Y394-I396 HydrophobicContact CE2-CG1 3.87Å; I396-T399 WeakPolarHBondContact O-CA 3.43Å; I396-T399 WeakPolarHBondContact O-CB 3.07Å; I396-T399 PolarHBondContact O-N 3.29Å; I396-T399 VanDerWaalsContact O-N 3.1Å; I396-H400 PolarHBondContact O-N 2.87Å; I396-L432 HydrophobicContact CG1-CG 4.32Å; I396-L432 HydrophobicContact CG2-CD2 3.92Å; I396-L432 HydrophobicContact CG2-CG 4.05Å; I396-L432 VanDerWaalsContact CG2-O 3.31Å; I396-L432 WeakPolarHBondContact CG2-O 3.33Å
397R92.5Very high93.7Very high26 Ų2632.8 Ų32.810%0.09818%0.18CC..Hα-helixtrans-59.3-54.3-177.8-171.7-165.869.9-1290.3111.4S369 T399 H400 D401 L476S369-R397 PolarHBondContact O-N 3.47Å; S369-R397 PolarHBondContact OG-NH1 2.89Å; S369-R397 VanDerWaalsContact OG-NH1 3.1Å; R397-T399 PolarHBondContact O-N 3.32Å; R397-T399 VanDerWaalsContact O-N 3.11Å; R397-H400 WeakPolarHBondContact O-CA 3.35Å; R397-H400 WeakPolarHBondContact O-CB 2.89Å; R397-H400 PolarHBondContact O-N 3.19Å; R397-D401 IonicContact NE-OD2 2.95Å; R397-D401 VanDerWaalsContact O-CG 3.27Å; R397-D401 PolarHBondContact O-N 3.5Å; R397-L476 VanDerWaalsContact NH1-CD1 3.31Å
398D92.9Very high93.5Very high2 Ų238.9 Ų38.91%0.01121%0.212CC..Hα-helixtrans-64.7-23.3-179.3-50.1-34.2000111.7R95 T97 S395 T402R95-D398 IonicContact NH2-OD2 3.57Å; R95-D398 PolarHBondContact NH2-OD2 2.88Å; T97-D398 HydrophobicContact CG2-CB 3.63Å; S395-D398 VanDerWaalsContact CB-OD2 3.23Å; S395-D398 WeakPolarHBondContact CB-OD2 3.46Å; S395-D398 PolarHBondContact OG-OD2 2.69Å; D398-T402 WeakPolarHBondContact O-CB 3.46Å; D398-T402 WeakPolarHBondContact O-CG2 3.4Å; D398-T402 PolarHBondContact O-N 3.27Å; D398-T402 VanDerWaalsContact O-N 3.12Å; D398-T402 PolarHBondContact O-OG1 3.38Å
399T95.1Very high93.3Very high1 Ų133.4 Ų33.41%0.00619%0.191CC..Hα-helixtrans-72.7-39.4172.4-63.80000111.7G98 A99 V102 S395 I396 R397 D401 A403 L432G98-T399 PolarHBondContact N-OG1 3.05Å; A99-T399 HydrophobicContact CB-CG2 4.43Å; V102-T399 WeakPolarHBondContact CG2-OG1 3.43Å; S395-T399 VanDerWaalsContact O-CB 3.28Å; S395-T399 WeakPolarHBondContact O-CB 3.37Å; S395-T399 PolarHBondContact O-N 2.78Å; S395-T399 PolarHBondContact O-OG1 3.04Å; I396-T399 WeakPolarHBondContact O-CA 3.43Å; I396-T399 WeakPolarHBondContact O-CB 3.07Å; I396-T399 PolarHBondContact O-N 3.29Å; I396-T399 VanDerWaalsContact O-N 3.1Å; R397-T399 PolarHBondContact O-N 3.32Å; R397-T399 VanDerWaalsContact O-N 3.11Å; T399-D401 VanDerWaalsContact C-N 3.35Å; T399-A403 WeakPolarHBondContact O-CB 3.33Å; T399-A403 PolarHBondContact O-N 2.8Å; T399-L432 HydrophobicContact CG2-CD2 4.09Å
400H94.7Very high93.1Very high0 Ų037.5 Ų37.50%020%0.2CC..Hα-helixtrans-61.8-43.6169.2-63.8164.7000111.2R363 T366 I396 R397 T402 F406 H430 L432R363-H400 HydrophobicContact CG-CB 3.89Å; R363-H400 PolarHBondContact O-ND1 3.46Å; R363-H400 VanDerWaalsContact O-ND1 3.15Å; T366-H400 PolarHBondContact OG1-CE1 3.23Å; T366-H400 PolarHBondContact OG1-ND1 3.41Å; I396-H400 PolarHBondContact O-N 2.87Å; R397-H400 WeakPolarHBondContact O-CA 3.35Å; R397-H400 WeakPolarHBondContact O-CB 2.89Å; R397-H400 PolarHBondContact O-N 3.19Å; H400-T402 VanDerWaalsContact C-N 3.25Å; H400-T402 PolarHBondContact O-N 3.03Å; H400-F406 WeakPolarHBondContact O-CD2 3.49Å; H400-H430 PolarHBondContact CD2-O 3.49Å; H400-H430 VanDerWaalsContact CD2-O 3.3Å; H400-L432 WeakPolarHBondContact NE2-CD2 3.23Å; H400-L432 PolarHBondContact NE2-N 2.65Å
401D90.6Very high93.1Very high42 Ų4241 Ų4123%0.22522%0.223CC..Hα-helixtrans-70.2-20.9-176.1-60.3-19.8000113.5R397 T399R397-D401 IonicContact NE-OD2 2.95Å; R397-D401 VanDerWaalsContact O-CG 3.27Å; R397-D401 PolarHBondContact O-N 3.5Å; T399-D401 VanDerWaalsContact C-N 3.35Å
402T89.5Confident93.2Very high49 Ų4941.1 Ų41.130%0.30122%0.221SC..Hα-helixtrans-114.22.5-177.158.80000113.3D398 H400D398-T402 WeakPolarHBondContact O-CB 3.46Å; D398-T402 WeakPolarHBondContact O-CG2 3.4Å; D398-T402 PolarHBondContact O-N 3.27Å; D398-T402 VanDerWaalsContact O-N 3.12Å; D398-T402 PolarHBondContact O-OG1 3.38Å; H400-T402 VanDerWaalsContact C-N 3.25Å; H400-T402 PolarHBondContact O-N 3.03Å
403A91.4Very high93.2Very high6 Ų643 Ų435%0.0523%0.232CC..  trans-65.7124.4177.400000109.6T399 V405 F406 H430T399-A403 WeakPolarHBondContact O-CB 3.33Å; T399-A403 PolarHBondContact O-N 2.8Å; A403-V405 HydrophobicContact CB-CG2 4.08Å; A403-V405 PolarHBondContact O-N 3.39Å; A403-V405 VanDerWaalsContact O-N 3.12Å; A403-F406 HydrophobicContact CB-CD2 3.84Å; A403-F406 HydrophobicContact CB-CE2 4.45Å; A403-F406 HydrophobicContact CB-CG 4.31Å; A403-F406 PolarHBondContact O-N 2.79Å; A403-H430 HydrophobicContact CB-CB 4.22Å
404P90Very high93.4Very high109 Ų10941.8 Ų41.871%0.70823%0.226SC*.THydrogen-bonded Turntrans-65.1-21-175.426.2-35.2000113.2F406P404-F406 PolarHBondContact O-N 3.24Å
405V91Very high93.3Very high20 Ų2043.6 Ų43.612%0.12124%0.237CC..THydrogen-bonded Turntrans-72.5-19.1177.8-60.10000112.7A403 D426 H430A403-V405 HydrophobicContact CB-CG2 4.08Å; A403-V405 PolarHBondContact O-N 3.39Å; A403-V405 VanDerWaalsContact O-N 3.12Å; V405-D426 HydrophobicContact CB-CB 4.41Å; V405-D426 HydrophobicContact CG1-CB 3.79Å; V405-D426 WeakPolarHBondContact CG1-O 3.26Å; V405-H430 HydrophobicContact CG2-CB 3.66Å
406F92.3Very high93.4Very high8 Ų843.6 Ų43.64%0.03524%0.236CC..  trans-102.2109.9-177.4-65.7-21.9000110.4R363 H400 A403 P404 V409 F417 E423 D424 H430 Y431R363-F406 HydrophobicContact CG-CD2 4.36Å; R363-F406 HydrophobicContact CG-CE2 3.99Å; H400-F406 WeakPolarHBondContact O-CD2 3.49Å; A403-F406 HydrophobicContact CB-CD2 3.84Å; A403-F406 HydrophobicContact CB-CE2 4.45Å; A403-F406 HydrophobicContact CB-CG 4.31Å; A403-F406 PolarHBondContact O-N 2.79Å; P404-F406 PolarHBondContact O-N 3.24Å; F406-V409 HydrophobicContact CB-CG1 4.1Å; F406-V409 WeakPolarHBondContact O-CG1 3.22Å; F406-F417 HydrophobicContact CE1-CE1 4.48Å; F406-F417 HydrophobicContact CZ-CE1 4.27Å; F406-F417 HydrophobicContact CZ-CZ 4.34Å; F406-E423 HydrophobicContact CD1-CB 3.98Å; F406-E423 HydrophobicContact CE1-CB 3.99Å; F406-D424 HydrophobicContact CE1-CB 4.46Å; F406-D424 HydrophobicContact CZ-CB 4.47Å; F406-H430 VanDerWaalsContact CE2-O 3.31Å; F406-H430 WeakPolarHBondContact CE2-O 3.42Å; F406-Y431 HydrophobicContact CZ-CD2 4.21Å
407K89.7Confident93.4Very high148 Ų14843.8 Ų43.864%0.64324%0.237SC*.SBendtrans-88.7155.2175.3-63.6179.3-177.3177.50110.8V409K407-V409 VanDerWaalsContact C-N 3.27Å; K407-V409 PolarHBondContact O-N 3.31Å
408D91.4Very high93.6Very high129 Ų12943.7 Ų43.769%0.6924%0.24SC*.SBendtrans46.150.8178-57.8-50.4000112.5N410 V411D408-N410 PolarHBondContact O-N 3.27Å; D408-V411 HydrophobicContact CB-CB 4.33Å; D408-V411 HydrophobicContact CB-CG2 3.97Å; D408-V411 WeakPolarHBondContact O-CB 3.32Å; D408-V411 PolarHBondContact O-N 2.94Å
409V91.6Very high93.6Very high31 Ų3150.8 Ų50.819%0.18827%0.273CS..THydrogen-bonded Turntrans-56.4-14.8-162.5-620000116.2R363 L364 F406 K407R363-V409 VanDerWaalsContact CZ-O 3.29Å; R363-V409 PolarHBondContact NH1-O 3.36Å; R363-V409 PolarHBondContact NH2-O 2.8Å; L364-V409 WeakPolarHBondContact CD2-O 3.42Å; F406-V409 HydrophobicContact CB-CG1 4.1Å; F406-V409 WeakPolarHBondContact O-CG1 3.22Å; K407-V409 VanDerWaalsContact C-N 3.27Å; K407-V409 PolarHBondContact O-N 3.31Å
410N91.7Very high93.5Very high141 Ų14155.5 Ų55.575%0.75431%0.312SS*.THydrogen-bonded Turntrans-94.4-12.2177.7-62.5-41.5000113.6D408D408-N410 PolarHBondContact O-N 3.27Å
411V95.3Very high93.5Very high82 Ų8260.3 Ų60.350%0.49733%0.331SS..SBendtrans-80.7133.1178.1179.20000108.9E360 R363 D408 D413E360-V411 VanDerWaalsContact OE1-O 3.05Å; R363-V411 PolarHBondContact NH2-O 3.39Å; D408-V411 HydrophobicContact CB-CB 4.33Å; D408-V411 HydrophobicContact CB-CG2 3.97Å; D408-V411 WeakPolarHBondContact O-CB 3.32Å; D408-V411 PolarHBondContact O-N 2.94Å; V411-D413 HydrophobicContact CG1-CB 4.29Å; V411-D413 PolarHBondContact O-N 3.35Å
412F97.8Very high93.6Very high13 Ų1359.6 Ų59.66%0.05733%0.329CS..  trans-80.3100.8171.2-178.2-101.8000109.6Q311 H315 V318 V357 E360 V361 L364 P414Q311-F412 HydrophobicContact CB-CD1 4.4Å; Q311-F412 HydrophobicContact CB-CD2 4.13Å; Q311-F412 HydrophobicContact CB-CE1 4.07Å; Q311-F412 HydrophobicContact CB-CE2 3.84Å; Q311-F412 HydrophobicContact CB-CG 4.43Å; Q311-F412 HydrophobicContact CB-CZ 3.79Å; Q311-F412 HydrophobicContact CG-CD2 3.75Å; Q311-F412 HydrophobicContact CG-CE2 3.76Å; Q311-F412 HydrophobicContact CG-CG 4.3Å; Q311-F412 HydrophobicContact CG-CZ 4.25Å; Q311-F412 VanDerWaalsContact OE1-CB 3.28Å; H315-F412 HydrophobicContact CB-CD1 4.31Å; H315-F412 AromaticContact CD2-CD1 3.35Å; H315-F412 WeakPolarHBondContact CD2-CD1 3.36Å; H315-F412 AromaticContact CD2-CG 3.86Å; H315-F412 AromaticContact CG-CD1 3.78Å; H315-F412 WeakPolarHBondContact NE2-CB 3.22Å; H315-F412 AromaticContact NE2-CD1 3.89Å; H315-F412 AromaticContact NE2-CG 3.99Å; V318-F412 HydrophobicContact CB-CE1 4.43Å; V318-F412 HydrophobicContact CG1-CE1 4.07Å; V318-F412 HydrophobicContact CG2-CD1 4.42Å; V318-F412 HydrophobicContact CG2-CE1 4.09Å; V357-F412 HydrophobicContact CG1-CZ 4.24Å; E360-F412 HydrophobicContact CB-CD2 4.35Å; E360-F412 HydrophobicContact CB-CE2 3.95Å; E360-F412 HydrophobicContact CG-CD2 3.6Å; E360-F412 HydrophobicContact CG-CE2 3.72Å; E360-F412 HydrophobicContact CG-CG 4.3Å; V361-F412 HydrophobicContact CG2-CE2 3.67Å; V361-F412 HydrophobicContact CG2-CZ 4Å; L364-F412 HydrophobicContact CD1-CB 3.94Å; L364-F412 HydrophobicContact CD1-CD2 3.72Å; L364-F412 HydrophobicContact CD1-CG 4.33Å; F412-P414 HydrophobicContact CD1-CG 4.29Å; F412-P414 HydrophobicContact CE1-CG 3.68Å; F412-P414 HydrophobicContact CZ-CG 3.89Å
413D97.6Very high93.7Very high41 Ų4158.4 Ų58.422%0.21932%0.32CS..  trans-132.193.9-177.8165.616.5000110.1E360 V411 D415 R416 R421E360-D413 PolarHBondContact OE1-N 3.31Å; V411-D413 HydrophobicContact CG1-CB 4.29Å; V411-D413 PolarHBondContact O-N 3.35Å; D413-D415 PolarHBondContact O-N 3.18Å; D413-D415 PolarHBondContact OD1-N 3Å; D413-D415 VanDerWaalsContact OD1-N 3.08Å; D413-R416 HydrophobicContact CB-CG 4.05Å; D413-R416 WeakPolarHBondContact O-CB 3.46Å; D413-R416 WeakPolarHBondContact O-CD 3.31Å; D413-R416 WeakPolarHBondContact O-CG 3.28Å; D413-R416 PolarHBondContact O-N 3.34Å; D413-R416 VanDerWaalsContact OD2-CG 3.29Å; D413-R416 WeakPolarHBondContact OD2-CG 3.36Å; D413-R421 VanDerWaalsContact CG-NH1 3.28Å; D413-R421 IonicContact OD1-NH1 3.22Å; D413-R421 PolarHBondContact OD1-NH1 3.15Å; D413-R421 VanDerWaalsContact OD1-NH1 3.13Å; D413-R421 IonicContact OD2-CZ 3.9Å; D413-R421 IonicContact OD2-NH1 2.75Å; D413-R421 PolarHBondContact OD2-NH1 2.88Å; D413-R421 IonicContact OD2-NH2 3.89Å; D413-R421 PolarHBondContact OD2-NH2 2.94Å
414P98.2Very high93.6Very high4 Ų459.3 Ų59.33%0.02632%0.324CS..G310 helixtrans-56.7-34.4177.3-28.937.2000113.7V318 Y353 C356 V357 F412 R416 F417V318-P414 HydrophobicContact CG1-CG 4.06Å; V318-P414 HydrophobicContact CG2-CG 4.12Å; Y353-P414 HydrophobicContact CE2-CB 3.94Å; C356-P414 HydrophobicContact CB-CB 4.16Å; C356-P414 WeakPolarHBondContact CB-O 3.34Å; V357-P414 HydrophobicContact CG2-CB 3.93Å; V357-P414 HydrophobicContact CG2-CG 3.9Å; F412-P414 HydrophobicContact CD1-CG 4.29Å; F412-P414 HydrophobicContact CE1-CG 3.68Å; F412-P414 HydrophobicContact CZ-CG 3.89Å; P414-R416 PolarHBondContact O-N 2.92Å; P414-F417 PolarHBondContact O-N 3.39Å
415D96.6Very high93.4Very high55 Ų5560.9 Ų60.929%0.29432%0.32SS..G310 helixtrans-65.4-12.9-173.2-73.7-38.7000112.8K321 D413 F417 S418 R421K321-D415 IonicContact NZ-OD1 2.75Å; K321-D415 PolarHBondContact NZ-OD1 3.46Å; K321-D415 IonicContact NZ-OD2 3.73Å; K321-D415 PolarHBondContact NZ-OD2 3.31Å; D413-D415 PolarHBondContact O-N 3.18Å; D413-D415 PolarHBondContact OD1-N 3Å; D413-D415 VanDerWaalsContact OD1-N 3.08Å; D415-F417 PolarHBondContact O-N 3.42Å; D415-S418 WeakPolarHBondContact O-CB 3.03Å; D415-S418 PolarHBondContact O-N 2.87Å; D415-S418 PolarHBondContact O-OG 3.45Å; D415-R421 WeakPolarHBondContact O-CD 3.49Å
416R95.5Very high92.9Very high2 Ų265.2 Ų65.21%0.00834%0.342CS..G310 helixtrans-50.6-34.9167.1-67.4164.981.5-68.4-32.3113.4E360 R363 D413 P414 E423E360-R416 IonicContact OE2-CZ 2.7Å; E360-R416 IonicContact OE2-NH1 3.54Å; E360-R416 PolarHBondContact OE2-NH1 3.25Å; R363-R416 VanDerWaalsContact CD-NH1 3.33Å; D413-R416 HydrophobicContact CB-CG 4.05Å; D413-R416 WeakPolarHBondContact O-CB 3.46Å; D413-R416 WeakPolarHBondContact O-CD 3.31Å; D413-R416 WeakPolarHBondContact O-CG 3.28Å; D413-R416 PolarHBondContact O-N 3.34Å; D413-R416 VanDerWaalsContact OD2-CG 3.29Å; D413-R416 WeakPolarHBondContact OD2-CG 3.36Å; P414-R416 PolarHBondContact O-N 2.92Å; R416-E423 IonicContact CZ-OE2 3.44Å; R416-E423 IonicContact NE-OE2 3.46Å; R416-E423 IonicContact NH2-OE2 2.63Å; R416-E423 PolarHBondContact NH2-OE2 3.22Å; R416-E423 PolarHBondContact O-N 3.44Å; R416-E423 VanDerWaalsContact O-N 3.11Å
417F96.6Very high92.3Very high10 Ų1066.8 Ų66.84%0.04436%0.361CS..G310 helixtrans-97.22.9-179.9-61.2-79.7000113.7C356 K359 E360 R363 F406 P414 D415 D424 Y431C356-F417 HydrophobicContact CB-CB 4.17Å; C356-F417 VanDerWaalsContact SG-C 3.52Å; C356-F417 PolarHBondContact SG-O 2.99Å; K359-F417 HydrophobicContact CB-CB 4.28Å; K359-F417 HydrophobicContact CB-CD1 3.83Å; K359-F417 HydrophobicContact CB-CD2 3.6Å; K359-F417 HydrophobicContact CB-CE1 3.92Å; K359-F417 HydrophobicContact CB-CE2 3.72Å; K359-F417 HydrophobicContact CB-CG 3.64Å; K359-F417 HydrophobicContact CB-CZ 3.89Å; K359-F417 HydrophobicContact CD-CB 3.82Å; K359-F417 HydrophobicContact CD-CD1 3.47Å; K359-F417 VanDerWaalsContact CD-CD1 3.47Å; K359-F417 HydrophobicContact CD-CD2 4.48Å; K359-F417 HydrophobicContact CD-CE1 4.07Å; K359-F417 HydrophobicContact CD-CG 3.69Å; K359-F417 HydrophobicContact CG-CD1 4.27Å; K359-F417 HydrophobicContact CG-CG 4.36Å; E360-F417 VanDerWaalsContact CA-CE2 3.48Å; E360-F417 HydrophobicContact CB-CD2 4.07Å; E360-F417 HydrophobicContact CB-CE2 3.73Å; E360-F417 HydrophobicContact CG-CE2 4.49Å; E360-F417 VanDerWaalsContact N-CE2 3.34Å; E360-F417 WeakPolarHBondContact OE2-CE2 3.49Å; R363-F417 HydrophobicContact CB-CZ 4.18Å; F406-F417 HydrophobicContact CE1-CE1 4.48Å; F406-F417 HydrophobicContact CZ-CE1 4.27Å; F406-F417 HydrophobicContact CZ-CZ 4.34Å; P414-F417 PolarHBondContact O-N 3.39Å; D415-F417 PolarHBondContact O-N 3.42Å; F417-D424 HydrophobicContact CD1-CB 3.57Å; F417-D424 VanDerWaalsContact CD1-CG 3.5Å; F417-D424 HydrophobicContact CE1-CB 3.52Å; F417-Y431 AromaticContact CE1-CD2 3.81Å; F417-Y431 HydrophobicContact CE1-CD2 3.81Å; F417-Y431 AromaticContact CE1-CE2 3.9Å; F417-Y431 HydrophobicContact CE1-CE2 3.9Å; F417-Y431 HydrophobicContact CE1-CG 4.12Å; F417-Y431 AromaticContact CZ-CD2 3.89Å; F417-Y431 HydrophobicContact CZ-CD2 3.89Å; F417-Y431 AromaticContact CZ-CE2 3.73Å; F417-Y431 HydrophobicContact CZ-CE2 3.73Å
418S96.3Very high92.1Very high24 Ų2468.1 Ų68.117%0.16836%0.362CS..SBendtrans-60.6160.6176.169.70000111.1D415 A420 R421 S422D415-S418 WeakPolarHBondContact O-CB 3.03Å; D415-S418 PolarHBondContact O-N 2.87Å; D415-S418 PolarHBondContact O-OG 3.45Å; S418-A420 PolarHBondContact O-N 3.33Å; S418-R421 PolarHBondContact O-N 3.38Å; S418-R421 PolarHBondContact OG-N 3.03Å; S418-S422 WeakPolarHBondContact O-CA 3.36Å; S418-S422 PolarHBondContact O-N 3.48Å; S418-S422 PolarHBondContact O-OG 3Å
419Q92.9Very high92.2Very high151 Ų15163.6 Ų63.671%0.70634%0.336SS*.THydrogen-bonded Turntrans-56.9-36.8175.6-174.3172.24.900112.1S422Q419-S422 PolarHBondContact O-OG 3.28Å
420A93.4Very high92.3Very high100 Ų10063.7 Ų63.783%0.82633%0.334SS*.THydrogen-bonded Turntrans-68.4-37.6-178.300000113.4S418S418-A420 PolarHBondContact O-N 3.33Å
421R94.1Very high92.5Very high102 Ų10258.8 Ų58.839%0.38531%0.306SS..THydrogen-bonded Turntrans-96.2-42.3-177.9-72.9171.761.5-178.68.9113D413 D415 S418 E423D413-R421 VanDerWaalsContact CG-NH1 3.28Å; D413-R421 IonicContact OD1-NH1 3.22Å; D413-R421 PolarHBondContact OD1-NH1 3.15Å; D413-R421 VanDerWaalsContact OD1-NH1 3.13Å; D413-R421 IonicContact OD2-CZ 3.9Å; D413-R421 IonicContact OD2-NH1 2.75Å; D413-R421 PolarHBondContact OD2-NH1 2.88Å; D413-R421 IonicContact OD2-NH2 3.89Å; D413-R421 PolarHBondContact OD2-NH2 2.94Å; D415-R421 WeakPolarHBondContact O-CD 3.49Å; S418-R421 PolarHBondContact O-N 3.38Å; S418-R421 PolarHBondContact OG-N 3.03Å; R421-E423 HydrophobicContact CB-CG 4.32Å; R421-E423 IonicContact CZ-OE1 2.74Å; R421-E423 VanDerWaalsContact CZ-OE1 3.24Å; R421-E423 IonicContact NE-OE1 2.81Å; R421-E423 PolarHBondContact NE-OE1 3.46Å; R421-E423 IonicContact NH2-OE1 3.83Å; R421-E423 PolarHBondContact NH2-OE1 3.01Å; R421-E423 PolarHBondContact O-N 2.68Å
422S91.9Very high92.5Very high26 Ų2655.3 Ų55.318%0.18228%0.284CS..  trans41.537.8176-69.30000114.1S418 Q419 D424 K425S418-S422 WeakPolarHBondContact O-CA 3.36Å; S418-S422 PolarHBondContact O-N 3.48Å; S418-S422 PolarHBondContact O-OG 3Å; Q419-S422 PolarHBondContact O-OG 3.28Å; S422-D424 PolarHBondContact O-N 3.16Å; S422-K425 WeakPolarHBondContact O-CB 3.28Å; S422-K425 PolarHBondContact O-N 3.13Å; S422-K425 PolarHBondContact OG-NZ 3.14Å
423E92.5Very high92.5Very high25 Ų2555.3 Ų55.312%0.11729%0.285CS..G310 helixtrans-60.7-25.8-171.8-68.9176.7-153.800112F406 R416 R421 K425F406-E423 HydrophobicContact CD1-CB 3.98Å; F406-E423 HydrophobicContact CE1-CB 3.99Å; R416-E423 IonicContact CZ-OE2 3.44Å; R416-E423 IonicContact NE-OE2 3.46Å; R416-E423 IonicContact NH2-OE2 2.63Å; R416-E423 PolarHBondContact NH2-OE2 3.22Å; R416-E423 PolarHBondContact O-N 3.44Å; R416-E423 VanDerWaalsContact O-N 3.11Å; R421-E423 HydrophobicContact CB-CG 4.32Å; R421-E423 IonicContact CZ-OE1 2.74Å; R421-E423 VanDerWaalsContact CZ-OE1 3.24Å; R421-E423 IonicContact NE-OE1 2.81Å; R421-E423 PolarHBondContact NE-OE1 3.46Å; R421-E423 IonicContact NH2-OE1 3.83Å; R421-E423 PolarHBondContact NH2-OE1 3.01Å; R421-E423 PolarHBondContact O-N 2.68Å; E423-K425 VanDerWaalsContact C-N 3.28Å; E423-K425 PolarHBondContact O-N 2.77Å
424D89.2Confident92.4Very high25 Ų2554.9 Ų54.913%0.13428%0.282CS..G310 helixtrans-75.6-13.3177.769.1-52.4000114.9K359 F406 F417 S422 Y431K359-D424 IonicContact NZ-OD1 3.42Å; K359-D424 IonicContact NZ-OD2 2.82Å; K359-D424 PolarHBondContact NZ-OD2 2.96Å; F406-D424 HydrophobicContact CE1-CB 4.46Å; F406-D424 HydrophobicContact CZ-CB 4.47Å; F417-D424 HydrophobicContact CD1-CB 3.57Å; F417-D424 VanDerWaalsContact CD1-CG 3.5Å; F417-D424 HydrophobicContact CE1-CB 3.52Å; S422-D424 PolarHBondContact O-N 3.16Å; D424-Y431 HydrophobicContact CB-CG 4.32Å
425K86.3Confident92.4Very high142 Ų14255.5 Ų55.562%0.61729%0.288SS*.G310 helixtrans-93.6-12.4178.7-59.1-175.5-169.7155.80112.6S422 E423 G427S422-K425 WeakPolarHBondContact O-CB 3.28Å; S422-K425 PolarHBondContact O-N 3.13Å; S422-K425 PolarHBondContact OG-NZ 3.14Å; E423-K425 VanDerWaalsContact C-N 3.28Å; E423-K425 PolarHBondContact O-N 2.77Å; K425-G427 PolarHBondContact O-N 3.32Å
426D80Confident92.3Very high110 Ų11053.1 Ų53.159%0.58828%0.277SS*.SBendtrans-76.788.7175.6-169.114.2000109.2V405 H430V405-D426 HydrophobicContact CB-CB 4.41Å; V405-D426 HydrophobicContact CG1-CB 3.79Å; V405-D426 WeakPolarHBondContact CG1-O 3.26Å; D426-H430 PolarHBondContact O-CD2 2.8Å
427G80Confident92.3Very high42 Ų4253.9 Ų53.943%0.43329%0.286SS..SBendtrans91.8169.4179.100000115.6K425K425-G427 PolarHBondContact O-N 3.32Å
428R85.3Confident92.3Very high176 Ų17656.2 Ų56.266%0.66430%0.3SS*.SBendtrans-94.7143.3-177.4-65.7-171.1-65.8-130.8-2.5110.1H430R428-H430 PolarHBondContact O-N 2.64Å
429F93.1Very high92.3Very high34 Ų3456.9 Ų56.915%0.14930%0.299CS..SBendtrans65.411.5173.1-76.9-117.8000115.4A99 R103 L106 M107 Y431 L432A99-F429 HydrophobicContact CB-CB 4.11Å; R103-F429 HydrophobicContact CB-CB 4.21Å; R103-F429 HydrophobicContact CB-CD1 3.76Å; R103-F429 HydrophobicContact CB-CD2 4.01Å; R103-F429 HydrophobicContact CB-CE1 4.13Å; R103-F429 HydrophobicContact CB-CE2 4.36Å; R103-F429 HydrophobicContact CB-CG 3.73Å; R103-F429 HydrophobicContact CB-CZ 4.42Å; R103-F429 HydrophobicContact CG-CD1 4.19Å; R103-F429 HydrophobicContact CG-CD2 3.73Å; R103-F429 HydrophobicContact CG-CE1 4.21Å; R103-F429 HydrophobicContact CG-CE2 3.74Å; R103-F429 HydrophobicContact CG-CG 3.99Å; R103-F429 HydrophobicContact CG-CZ 4.01Å; L106-F429 HydrophobicContact CB-CE1 4.14Å; L106-F429 HydrophobicContact CD1-CD1 4.29Å; L106-F429 HydrophobicContact CD1-CE1 3.8Å; M107-F429 HydrophobicContact CE-CE2 3.55Å; M107-F429 HydrophobicContact CE-CZ 3.41Å; M107-F429 VanDerWaalsContact CE-CZ 3.41Å; M107-F429 HydrophobicContact SD-CZ 4.46Å; F429-Y431 VanDerWaalsContact C-N 3.31Å; F429-L432 HydrophobicContact CB-CD1 4.11Å; F429-L432 HydrophobicContact CD1-CD1 3.42Å; F429-L432 VanDerWaalsContact CD1-CD1 3.42Å; F429-L432 HydrophobicContact CE1-CD1 4.22Å; F429-L432 HydrophobicContact CG-CD1 4.14Å; F429-L432 WeakPolarHBondContact O-CD2 3.48Å
430H93.4Very high92.5Very high33 Ų3351 Ų5115%0.15327%0.274CS..SBendtrans-71.1-28.8167.6-69.2-67.6000112.4H400 A403 V405 F406 D426 R428H400-H430 PolarHBondContact CD2-O 3.49Å; H400-H430 VanDerWaalsContact CD2-O 3.3Å; A403-H430 HydrophobicContact CB-CB 4.22Å; V405-H430 HydrophobicContact CG2-CB 3.66Å; F406-H430 VanDerWaalsContact CE2-O 3.31Å; F406-H430 WeakPolarHBondContact CE2-O 3.42Å; D426-H430 PolarHBondContact O-CD2 2.8Å; R428-H430 PolarHBondContact O-N 2.64Å
431Y96.1Very high92.8Very high38 Ų3848.8 Ų48.815%0.14925%0.251CS..SBendtrans-123.6108.9171.8-174.7-107.6000110.2K359 R363 F406 F417 D424 F429 P433K359-Y431 WeakPolarHBondContact CA-OH 3.31Å; K359-Y431 HydrophobicContact CG-CE1 4.12Å; K359-Y431 WeakPolarHBondContact O-CE2 3.37Å; K359-Y431 PolarHBondContact O-OH 2.88Å; R363-Y431 HydrophobicContact CB-CD2 4.4Å; R363-Y431 HydrophobicContact CB-CE2 3.96Å; R363-Y431 HydrophobicContact CG-CD2 4.48Å; F406-Y431 HydrophobicContact CZ-CD2 4.21Å; F417-Y431 AromaticContact CE1-CD2 3.81Å; F417-Y431 HydrophobicContact CE1-CD2 3.81Å; F417-Y431 AromaticContact CE1-CE2 3.9Å; F417-Y431 HydrophobicContact CE1-CE2 3.9Å; F417-Y431 HydrophobicContact CE1-CG 4.12Å; F417-Y431 AromaticContact CZ-CD2 3.89Å; F417-Y431 HydrophobicContact CZ-CD2 3.89Å; F417-Y431 AromaticContact CZ-CE2 3.73Å; F417-Y431 HydrophobicContact CZ-CE2 3.73Å; D424-Y431 HydrophobicContact CB-CG 4.32Å; F429-Y431 VanDerWaalsContact C-N 3.31Å; Y431-P433 HydrophobicContact CD1-CG 4.37Å; Y431-P433 HydrophobicContact CE1-CG 3.7Å; Y431-P433 HydrophobicContact CE2-CG 4.01Å
432L96.4Very high92.9Very high8 Ų845.6 Ų45.64%0.04224%0.242CC..  trans-14447.3-174.173.9-177.4000113.9V102 L106 I396 T399 H400 F429 F434 G435V102-L432 HydrophobicContact CB-CD1 4.49Å; V102-L432 HydrophobicContact CG1-CD1 3.67Å; L106-L432 HydrophobicContact CD1-CD1 4.2Å; I396-L432 HydrophobicContact CG1-CG 4.32Å; I396-L432 HydrophobicContact CG2-CD2 3.92Å; I396-L432 HydrophobicContact CG2-CG 4.05Å; I396-L432 VanDerWaalsContact CG2-O 3.31Å; I396-L432 WeakPolarHBondContact CG2-O 3.33Å; T399-L432 HydrophobicContact CG2-CD2 4.09Å; H400-L432 WeakPolarHBondContact NE2-CD2 3.23Å; H400-L432 PolarHBondContact NE2-N 2.65Å; F429-L432 HydrophobicContact CB-CD1 4.11Å; F429-L432 HydrophobicContact CD1-CD1 3.42Å; F429-L432 VanDerWaalsContact CD1-CD1 3.42Å; F429-L432 HydrophobicContact CE1-CD1 4.22Å; F429-L432 HydrophobicContact CG-CD1 4.14Å; F429-L432 WeakPolarHBondContact O-CD2 3.48Å; L432-F434 PolarHBondContact O-N 2.67Å; L432-G435 PolarHBondContact O-N 3.07Å
433P96.5Very high93.2Very high13 Ų1345.1 Ų45.18%0.08424%0.241CC..THydrogen-bonded Turntrans-60.3-17.8-176.228.4-38.6000114.1M362 T366 Y431M362-P433 HydrophobicContact CB-CB 3.96Å; M362-P433 HydrophobicContact CB-CG 4.25Å; M362-P433 HydrophobicContact CE-CB 4Å; T366-P433 HydrophobicContact CG2-CB 4.3Å; Y431-P433 HydrophobicContact CD1-CG 4.37Å; Y431-P433 HydrophobicContact CE1-CG 3.7Å; Y431-P433 HydrophobicContact CE2-CG 4.01Å
434F97.2Very high93.4Very high33 Ų3347.4 Ų47.415%0.14525%0.25CS..THydrogen-bonded Turntrans-105.714.3179-63.9-72.7000113.3M362 L432 C441 K444 A447 K448M362-F434 HydrophobicContact CE-CE1 4.07Å; M362-F434 HydrophobicContact CE-CE2 4.35Å; M362-F434 HydrophobicContact CE-CZ 3.79Å; L432-F434 PolarHBondContact O-N 2.67Å; F434-C441 HydrophobicContact CB-CB 3.88Å; F434-C441 HydrophobicContact CD1-CB 3.88Å; F434-C441 HydrophobicContact CG-CB 4.33Å; F434-C441 PolarHBondContact O-N 2.9Å; F434-K444 HydrophobicContact CB-CB 4.08Å; F434-K444 HydrophobicContact CD1-CB 3.62Å; F434-K444 HydrophobicContact CD2-CB 4.04Å; F434-K444 HydrophobicContact CE1-CB 4.02Å; F434-K444 HydrophobicContact CE2-CB 4.44Å; F434-K444 HydrophobicContact CG-CB 3.62Å; F434-K444 HydrophobicContact CZ-CB 4.42Å; F434-A447 HydrophobicContact CE1-CB 4.16Å; F434-K448 HydrophobicContact CE2-CD 4.43Å; F434-K448 VanDerWaalsContact CE2-CE 3.46Å; F434-K448 HydrophobicContact CE2-CG 4.24Å; F434-K448 HydrophobicContact CZ-CG 4.11Å
435G96.4Very high93.8Very high16 Ų1650.7 Ų50.717%0.16527%0.265CS..  trans69-151.2-173.800000112.6L432L432-G435 PolarHBondContact O-N 3.07Å
436G95.8Very high94.4Very high5 Ų544.4 Ų44.45%0.05224%0.238CC..  trans-165.8174.8-171.200000113.1T440G436-T440 WeakPolarHBondContact CA-OG1 3.45Å; G436-T440 PolarHBondContact O-N 3.14Å
437G95.8Very high95.3Very high19 Ų1940 Ų4020%0.19622%0.217CC..G310 helixtrans63.8-156.1-178.600000113.4M107 R439 T440M107-G437 VanDerWaalsContact SD-CA 3.54Å; G437-R439 PolarHBondContact O-N 2.99Å; G437-R439 VanDerWaalsContact O-N 3.1Å; G437-T440 PolarHBondContact N-OG1 3.49Å; G437-T440 WeakPolarHBondContact O-CB 3.23Å; G437-T440 PolarHBondContact O-N 3.29Å; G437-T440 VanDerWaalsContact O-N 3.1Å; G437-T440 PolarHBondContact O-OG1 2.85Å
438V96.4Very high96.1Very high58 Ų5840.9 Ų40.935%0.35221%0.209SC..G310 helixtrans-65.2-14.6-177.5-57.90000113.4E109 H138 R142E109-V438 HydrophobicContact CB-CG2 3.65Å; E109-V438 HydrophobicContact CG-CG2 3.6Å; H138-V438 PolarHBondContact CE1-O 2.94Å; H138-V438 VanDerWaalsContact CE1-O 3.27Å; R142-V438 WeakPolarHBondContact CD-O 3.21Å; R142-V438 PolarHBondContact NE-O 3.37Å; R142-V438 VanDerWaalsContact NE-O 3.1Å; R142-V438 PolarHBondContact NH1-O 3.42Å; R142-V438 VanDerWaalsContact NH1-O 3.13Å
439R96.6Very high96.7Very high38 Ų3833 Ų3314%0.14318%0.18CC..G310 helixtrans-102.79.4177.7-66.7-89.1-171.7-170.77.3113.4E109 H110 T115 V130 S131 S133 H138 G437 C441E109-R439 HydrophobicContact CB-CG 4.48Å; E109-R439 HydrophobicContact CG-CG 3.61Å; E109-R439 IonicContact OE1-CZ 3.34Å; E109-R439 IonicContact OE1-NE 2.67Å; E109-R439 PolarHBondContact OE1-NE 3.28Å; E109-R439 IonicContact OE1-NH2 2.6Å; E109-R439 PolarHBondContact OE1-NH2 3.33Å; E109-R439 VanDerWaalsContact OE1-NH2 3.12Å; H110-R439 PolarHBondContact CE1-NH2 3.29Å; T115-R439 PolarHBondContact OG1-NE 3.48Å; V130-R439 PolarHBondContact O-NH1 3.32Å; S131-R439 PolarHBondContact O-NH1 3.31Å; S133-R439 VanDerWaalsContact O-CZ 3.22Å; S133-R439 PolarHBondContact O-NH1 3.19Å; S133-R439 PolarHBondContact O-NH2 2.85Å; H138-R439 PolarHBondContact CD2-NH1 3.25Å; H138-R439 PolarHBondContact NE2-NH1 2.91Å; G437-R439 PolarHBondContact O-N 2.99Å; G437-R439 VanDerWaalsContact O-N 3.1Å; R439-C441 PolarHBondContact O-N 2.89Å
440T97.1Very high97Very high29 Ų2931.5 Ų31.518%0.17817%0.173CC..SBendtrans-48.5141.1173.5-55.20000110R142 G436 G437 L442 K444R142-T440 PolarHBondContact NH1-O 3.49Å; R142-T440 PolarHBondContact NH2-O 2.68Å; G436-T440 WeakPolarHBondContact CA-OG1 3.45Å; G436-T440 PolarHBondContact O-N 3.14Å; G437-T440 PolarHBondContact N-OG1 3.49Å; G437-T440 WeakPolarHBondContact O-CB 3.23Å; G437-T440 PolarHBondContact O-N 3.29Å; G437-T440 VanDerWaalsContact O-N 3.1Å; G437-T440 PolarHBondContact O-OG1 2.85Å; T440-L442 PolarHBondContact O-N 3.28Å; T440-K444 HydrophobicContact CG2-CD 4.28Å
441C98.1Very high97.2Very high52 Ų5230 Ų3035%0.35117%0.167SC..  trans-52.7125.5-179.3-177.90000111.4F434 R439 K444F434-C441 HydrophobicContact CB-CB 3.88Å; F434-C441 HydrophobicContact CD1-CB 3.88Å; F434-C441 HydrophobicContact CG-CB 4.33Å; F434-C441 PolarHBondContact O-N 2.9Å; R439-C441 PolarHBondContact O-N 2.89Å; C441-K444 HydrophobicContact CB-CB 4.21Å
442L97.3Very high97.4Very high36 Ų3629.2 Ų29.219%0.18816%0.164CC..THydrogen-bonded Turntrans-67.8-46.2176.3-81.6170000110.9V130 R142 F145 F149 T440 K444V130-L442 HydrophobicContact CG1-CD1 4.37Å; R142-L442 HydrophobicContact CG-CD1 4.15Å; R142-L442 HydrophobicContact CG-CD2 3.82Å; R142-L442 HydrophobicContact CG-CG 4.27Å; F145-L442 HydrophobicContact CB-CD1 3.91Å; F149-L442 HydrophobicContact CD2-CB 3.78Å; F149-L442 HydrophobicContact CE2-CB 3.62Å; F149-L442 HydrophobicContact CZ-CB 4.47Å; T440-L442 PolarHBondContact O-N 3.28Å; L442-K444 PolarHBondContact O-N 3.32Å; L442-K444 VanDerWaalsContact O-N 3.14Å
443G97.5Very high97.5Very high15 Ų1528.8 Ų28.816%0.15516%0.162CC..THydrogen-bonded Turntrans-79.217.1-179.800000115.4H445 L446 A447G443-H445 VanDerWaalsContact C-N 3.26Å; G443-H445 PolarHBondContact O-N 2.97Å; G443-L446 PolarHBondContact O-N 2.93Å; G443-A447 WeakPolarHBondContact O-CB 3.33Å; G443-A447 PolarHBondContact O-N 3.08Å
444K97.7Very high97.5Very high73 Ų7328.2 Ų28.232%0.31716%0.158SC..Hα-helixtrans-58.8-36.4-175.167.9-179.2-178.1173.90113.2F434 T440 C441 L442 K448F434-K444 HydrophobicContact CB-CB 4.08Å; F434-K444 HydrophobicContact CD1-CB 3.62Å; F434-K444 HydrophobicContact CD2-CB 4.04Å; F434-K444 HydrophobicContact CE1-CB 4.02Å; F434-K444 HydrophobicContact CE2-CB 4.44Å; F434-K444 HydrophobicContact CG-CB 3.62Å; F434-K444 HydrophobicContact CZ-CB 4.42Å; T440-K444 HydrophobicContact CG2-CD 4.28Å; C441-K444 HydrophobicContact CB-CB 4.21Å; L442-K444 PolarHBondContact O-N 3.32Å; L442-K444 VanDerWaalsContact O-N 3.14Å; K444-K448 WeakPolarHBondContact O-CG 3.47Å; K444-K448 PolarHBondContact O-N 3.19Å
445H97.5Very high97.6Very high95 Ų9526.7 Ų26.744%0.4415%0.151SC..Hα-helixtrans-76.4-41-179.9-68.2-73.1000111.1L154 G443 A447 K448 L449L154-H445 HydrophobicContact CD1-CB 3.47Å; L154-H445 VanDerWaalsContact CD1-CB 3.47Å; G443-H445 VanDerWaalsContact C-N 3.26Å; G443-H445 PolarHBondContact O-N 2.97Å; H445-A447 PolarHBondContact O-N 3.18Å; H445-K448 PolarHBondContact O-N 3.42Å; H445-L449 WeakPolarHBondContact O-CB 3.33Å; H445-L449 PolarHBondContact O-N 3.02Å
446L98Very high97.6Very high9 Ų926 Ų265%0.04714%0.144CC..Hα-helixtrans-58.4-46.6171.9179.463.4000112F149 L154 Y157 I161 L197 G443 K448 L449 F450F149-L446 HydrophobicContact CD1-CB 4.15Å; F149-L446 HydrophobicContact CD1-CD2 4.32Å; F149-L446 HydrophobicContact CE1-CB 4.44Å; F149-L446 HydrophobicContact CE1-CD2 3.93Å; L154-L446 HydrophobicContact CD2-CB 3.74Å; L154-L446 HydrophobicContact CD2-CD1 3.79Å; L154-L446 HydrophobicContact CD2-CG 4.36Å; Y157-L446 HydrophobicContact CD2-CD1 4.3Å; I161-L446 HydrophobicContact CD1-CD1 3.71Å; L197-L446 HydrophobicContact CD1-CD2 4.06Å; L197-L446 HydrophobicContact CD2-CD2 3.72Å; G443-L446 PolarHBondContact O-N 2.93Å; L446-K448 PolarHBondContact O-N 2.82Å; L446-L449 WeakPolarHBondContact O-CB 3.42Å; L446-L449 PolarHBondContact O-N 3.42Å; L446-F450 WeakPolarHBondContact O-CB 3.46Å; L446-F450 PolarHBondContact O-N 2.83Å
447A98.3Very high97.5Very high19 Ų1926.2 Ų26.216%0.15714%0.144CC..Hα-helixtrans-61.7-43.4179.200000111.8F434 G443 H445 F450 L451F434-A447 HydrophobicContact CE1-CB 4.16Å; G443-A447 WeakPolarHBondContact O-CB 3.33Å; G443-A447 PolarHBondContact O-N 3.08Å; H445-A447 PolarHBondContact O-N 3.18Å; A447-F450 PolarHBondContact O-N 2.94Å; A447-L451 VanDerWaalsContact O-CG 3.3Å; A447-L451 WeakPolarHBondContact O-CG 3.37Å; A447-L451 PolarHBondContact O-N 2.96Å
448K98.3Very high97.4Very high60 Ų6025.3 Ų25.326%0.26113%0.134SC..Hα-helixtrans-63.9-43.9174.8-73.7180-179.8-167.60112F434 K444 H445 L446 F450 L451 K452F434-K448 HydrophobicContact CE2-CD 4.43Å; F434-K448 VanDerWaalsContact CE2-CE 3.46Å; F434-K448 HydrophobicContact CE2-CG 4.24Å; F434-K448 HydrophobicContact CZ-CG 4.11Å; K444-K448 WeakPolarHBondContact O-CG 3.47Å; K444-K448 PolarHBondContact O-N 3.19Å; H445-K448 PolarHBondContact O-N 3.42Å; L446-K448 PolarHBondContact O-N 2.82Å; K448-F450 VanDerWaalsContact C-N 3.33Å; K448-F450 PolarHBondContact O-N 3.45Å; K448-L451 PolarHBondContact O-N 3.19Å; K448-K452 WeakPolarHBondContact O-CG 3.46Å; K448-K452 PolarHBondContact O-N 2.84Å
449L98.2Very high97.3Very high11 Ų1122.6 Ų22.66%0.05812%0.118CC..Hα-helixtrans-57.9-48.9176.8179.861.9000110.7L154 L158 I161 L345 L348 H445 L446 L451 K452 V453L154-L449 HydrophobicContact CB-CD2 4.07Å; L154-L449 HydrophobicContact CD2-CD2 4.44Å; L158-L449 HydrophobicContact CB-CD2 4.43Å; L158-L449 HydrophobicContact CD1-CD1 4.05Å; L158-L449 HydrophobicContact CD1-CG 4.48Å; I161-L449 HydrophobicContact CD1-CD2 4.17Å; L345-L449 HydrophobicContact CD2-CD1 3.5Å; L345-L449 VanDerWaalsContact CD2-CD1 3.5Å; L345-L449 HydrophobicContact CD2-CD2 3.93Å; L345-L449 HydrophobicContact CD2-CG 4.36Å; L348-L449 HydrophobicContact CD1-CD1 3.5Å; H445-L449 WeakPolarHBondContact O-CB 3.33Å; H445-L449 PolarHBondContact O-N 3.02Å; L446-L449 WeakPolarHBondContact O-CB 3.42Å; L446-L449 PolarHBondContact O-N 3.42Å; L449-L451 PolarHBondContact O-N 3.44Å; L449-K452 WeakPolarHBondContact O-CB 3.26Å; L449-K452 PolarHBondContact O-N 3.06Å; L449-V453 HydrophobicContact CD1-CG2 4.32Å; L449-V453 WeakPolarHBondContact O-CG2 3.3Å; L449-V453 PolarHBondContact O-N 3.22Å
450F98.4Very high96.9Very high1 Ų121.1 Ų21.10%0.00411%0.113CC..Hα-helixtrans-56.9-48.3177.3-175.4-83000112I161 I165 L188 T189 M192 T301 S305 L446 A447 K448 K452 V453 L454I161-F450 HydrophobicContact CG2-CD2 3.85Å; I161-F450 HydrophobicContact CG2-CE2 4.44Å; I165-F450 HydrophobicContact CD1-CD2 4.13Å; I165-F450 HydrophobicContact CD1-CE1 4.49Å; I165-F450 HydrophobicContact CD1-CE2 3.88Å; I165-F450 HydrophobicContact CD1-CZ 4.06Å; I165-F450 HydrophobicContact CG1-CE2 4.08Å; I165-F450 HydrophobicContact CG1-CZ 4.14Å; L188-F450 HydrophobicContact CD1-CZ 4.31Å; L188-F450 HydrophobicContact CD2-CE1 4.43Å; L188-F450 HydrophobicContact CD2-CZ 3.78Å; L188-F450 HydrophobicContact CG-CZ 3.83Å; T189-F450 HydrophobicContact CG2-CE1 4.35Å; T189-F450 HydrophobicContact CG2-CZ 4.17Å; M192-F450 HydrophobicContact CB-CE2 4.21Å; M192-F450 HydrophobicContact CE-CD2 3.73Å; M192-F450 HydrophobicContact CE-CE2 4.07Å; M192-F450 HydrophobicContact CE-CG 4.42Å; M192-F450 HydrophobicContact CG-CD2 4.15Å; M192-F450 HydrophobicContact CG-CE2 4Å; T301-F450 HydrophobicContact CG2-CB 4.34Å; T301-F450 HydrophobicContact CG2-CD1 3.32Å; T301-F450 HydrophobicContact CG2-CE1 3.7Å; T301-F450 HydrophobicContact CG2-CG 3.82Å; T301-F450 HydrophobicContact CG2-CZ 4.45Å; S305-F450 WeakPolarHBondContact OG-CE1 3.33Å; L446-F450 WeakPolarHBondContact O-CB 3.46Å; L446-F450 PolarHBondContact O-N 2.83Å; A447-F450 PolarHBondContact O-N 2.94Å; K448-F450 VanDerWaalsContact C-N 3.33Å; K448-F450 PolarHBondContact O-N 3.45Å; F450-K452 VanDerWaalsContact C-N 3.34Å; F450-K452 PolarHBondContact O-N 2.89Å; F450-V453 PolarHBondContact O-N 3.5Å; F450-L454 HydrophobicContact CE1-CD2 4.31Å; F450-L454 WeakPolarHBondContact O-CB 3.34Å; F450-L454 PolarHBondContact O-N 2.85Å
451L98.8Very high96.3Very high3 Ų321.2 Ų21.22%0.01611%0.114CC..Hα-helixtrans-64.5-36.9178.2-67.8171.9000112.5A304 L308 I358 M362 A447 K448 L449 A455A304-L451 HydrophobicContact CB-CD1 3.84Å; A304-L451 HydrophobicContact CB-CD2 3.82Å; A304-L451 HydrophobicContact CB-CG 4.39Å; L308-L451 HydrophobicContact CD2-CD2 4.46Å; I358-L451 HydrophobicContact CD1-CB 3.96Å; I358-L451 HydrophobicContact CG1-CB 4.28Å; I358-L451 HydrophobicContact CG2-CB 4.45Å; I358-L451 HydrophobicContact CG2-CD1 4.1Å; M362-L451 HydrophobicContact SD-CD1 4.07Å; A447-L451 VanDerWaalsContact O-CG 3.3Å; A447-L451 WeakPolarHBondContact O-CG 3.37Å; A447-L451 PolarHBondContact O-N 2.96Å; K448-L451 PolarHBondContact O-N 3.19Å; L449-L451 PolarHBondContact O-N 3.44Å; L451-A455 VanDerWaalsContact O-CB 3.31Å; L451-A455 WeakPolarHBondContact O-CB 3.39Å; L451-A455 PolarHBondContact O-N 3.37Å
452K98.6Very high95.7Very high20 Ų2018.7 Ų18.79%0.08710%0.097CC..Hα-helixtrans-62.2-51.2174.6-77.4-171.8172.6-164.30111.1L348 L354 D355 I358 K448 L449 F450 L454 A455 V456L348-K452 HydrophobicContact CB-CD 4.31Å; L348-K452 HydrophobicContact CD2-CB 4.41Å; L348-K452 PolarHBondContact O-NZ 2.91Å; L354-K452 HydrophobicContact CD2-CB 3.91Å; L354-K452 HydrophobicContact CD2-CD 4.42Å; L354-K452 HydrophobicContact CD2-CG 3.85Å; L354-K452 HydrophobicContact CG-CG 4.13Å; D355-K452 VanDerWaalsContact CG-CE 3.43Å; D355-K452 WeakPolarHBondContact OD1-CE 3.48Å; D355-K452 IonicContact OD1-NZ 3.12Å; D355-K452 PolarHBondContact OD1-NZ 2.97Å; D355-K452 IonicContact OD2-NZ 3.13Å; D355-K452 PolarHBondContact OD2-NZ 3.3Å; I358-K452 HydrophobicContact CD1-CB 4.08Å; I358-K452 HydrophobicContact CD1-CG 3.28Å; K448-K452 WeakPolarHBondContact O-CG 3.46Å; K448-K452 PolarHBondContact O-N 2.84Å; L449-K452 WeakPolarHBondContact O-CB 3.26Å; L449-K452 PolarHBondContact O-N 3.06Å; F450-K452 VanDerWaalsContact C-N 3.34Å; F450-K452 PolarHBondContact O-N 2.89Å; K452-L454 VanDerWaalsContact C-N 3.33Å; K452-L454 PolarHBondContact O-N 3.29Å; K452-A455 PolarHBondContact O-N 3.2Å; K452-V456 VanDerWaalsContact O-CG2 3.25Å; K452-V456 WeakPolarHBondContact O-CG2 3.11Å; K452-V456 PolarHBondContact O-N 3.41Å
453V98.3Very high95.3Very high0 Ų020.7 Ų20.70%010%0.102CC..Hα-helixtrans-60.5-46.1178.9177.60000110.1L158 I161 Q162 I165 L343 L348 L449 F450 A455 V456 E457L158-V453 HydrophobicContact CD1-CG2 3.41Å; L158-V453 VanDerWaalsContact CD1-CG2 3.41Å; I161-V453 HydrophobicContact CG2-CB 4.35Å; I161-V453 HydrophobicContact CG2-CG1 4.34Å; I161-V453 HydrophobicContact CG2-CG2 4.42Å; Q162-V453 HydrophobicContact CB-CG1 4.03Å; Q162-V453 HydrophobicContact CG-CG1 4.19Å; I165-V453 HydrophobicContact CD1-CB 3.93Å; I165-V453 HydrophobicContact CD1-CG1 3.62Å; L343-V453 HydrophobicContact CD1-CB 4.49Å; L343-V453 HydrophobicContact CD1-CG1 4.05Å; L343-V453 HydrophobicContact CD1-CG2 4.19Å; L348-V453 HydrophobicContact CD1-CG2 3.84Å; L449-V453 HydrophobicContact CD1-CG2 4.32Å; L449-V453 WeakPolarHBondContact O-CG2 3.3Å; L449-V453 PolarHBondContact O-N 3.22Å; F450-V453 PolarHBondContact O-N 3.5Å; V453-A455 VanDerWaalsContact C-N 3.34Å; V453-A455 PolarHBondContact O-N 3.39Å; V453-V456 PolarHBondContact O-N 2.86Å; V453-E457 HydrophobicContact CG1-CG 4.2Å; V453-E457 WeakPolarHBondContact O-CB 3.49Å; V453-E457 VanDerWaalsContact O-CG 3.29Å; V453-E457 WeakPolarHBondContact O-CG 3.46Å; V453-E457 PolarHBondContact O-N 2.94Å
454L98.4Very high95.2Very high1 Ų120.8 Ų20.81%0.00510%0.098CC..Hα-helixtrans-58.5-45.2176.8179.663000112I165 L169 S305 L308 F450 K452 E457 L458I165-L454 HydrophobicContact CD1-CB 4.15Å; I165-L454 HydrophobicContact CG2-CD1 3.94Å; L169-L454 HydrophobicContact CD2-CD1 4.45Å; S305-L454 VanDerWaalsContact CB-CD2 3.45Å; L308-L454 HydrophobicContact CD2-CD2 4.42Å; F450-L454 HydrophobicContact CE1-CD2 4.31Å; F450-L454 WeakPolarHBondContact O-CB 3.34Å; F450-L454 PolarHBondContact O-N 2.85Å; K452-L454 VanDerWaalsContact C-N 3.33Å; K452-L454 PolarHBondContact O-N 3.29Å; L454-E457 PolarHBondContact O-N 3.37Å; L454-L458 HydrophobicContact CD1-CD1 3.95Å; L454-L458 HydrophobicContact CD1-CG 4.04Å; L454-L458 HydrophobicContact CD2-CD1 4.45Å; L454-L458 HydrophobicContact CG-CD1 3.77Å; L454-L458 HydrophobicContact CG-CG 4.31Å; L454-L458 VanDerWaalsContact O-CB 3.25Å; L454-L458 WeakPolarHBondContact O-CB 3.27Å; L454-L458 WeakPolarHBondContact O-CD1 3.38Å; L454-L458 WeakPolarHBondContact O-CG 3.41Å; L454-L458 PolarHBondContact O-N 2.93Å
455A98.1Very high95.1Very high0 Ų021.2 Ų21.20%010%0.101CC..Hα-helixtrans-63.4-43.8178.400000112.4L308 L322 L354 L451 K452 V453 A459L308-A455 HydrophobicContact CD2-CB 3.89Å; L322-A455 HydrophobicContact CD1-CB 4.38Å; L354-A455 HydrophobicContact CD1-CB 3.39Å; L451-A455 VanDerWaalsContact O-CB 3.31Å; L451-A455 WeakPolarHBondContact O-CB 3.39Å; L451-A455 PolarHBondContact O-N 3.37Å; K452-A455 PolarHBondContact O-N 3.2Å; V453-A455 VanDerWaalsContact C-N 3.34Å; V453-A455 PolarHBondContact O-N 3.39Å; A455-A459 WeakPolarHBondContact O-CB 3.39Å; A455-A459 PolarHBondContact O-N 2.88Å
456V96.3Very high95Very high2 Ų218.7 Ų18.71%0.0129%0.091CC..Hα-helixtrans-60.5-50.3177.5170.60000110.1L326 I331 L343 L348 L351 L354 K452 V453 A459 S460L326-V456 HydrophobicContact CD1-CG1 4.44Å; L326-V456 HydrophobicContact CD2-CG1 4.38Å; L326-V456 HydrophobicContact CD2-CG2 3.89Å; I331-V456 HydrophobicContact CG2-CG1 3.89Å; L343-V456 HydrophobicContact CD1-CG1 4.23Å; L343-V456 HydrophobicContact CD2-CG1 4.17Å; L348-V456 HydrophobicContact CD2-CG2 3.99Å; L351-V456 HydrophobicContact CD1-CG2 3.82Å; L354-V456 HydrophobicContact CD2-CG2 3.87Å; K452-V456 VanDerWaalsContact O-CG2 3.25Å; K452-V456 WeakPolarHBondContact O-CG2 3.11Å; K452-V456 PolarHBondContact O-N 3.41Å; V453-V456 PolarHBondContact O-N 2.86Å; V456-A459 PolarHBondContact O-N 3.47Å; V456-S460 VanDerWaalsContact O-CB 3.23Å; V456-S460 WeakPolarHBondContact O-CB 3.27Å; V456-S460 PolarHBondContact O-N 2.86Å; V456-S460 PolarHBondContact O-OG 2.91Å
457E94.5Very high95Very high10 Ų1020.9 Ų20.95%0.04711%0.11CC..Hα-helixtrans-66.6-42.8-178.4-66.4-65166.400111.6Q162 I165 Q166 L169 V453 L454 A459 S460 T461Q162-E457 VanDerWaalsContact CG-OE1 3.22Å; Q162-E457 WeakPolarHBondContact CG-OE1 3.43Å; Q162-E457 PolarHBondContact NE2-OE1 3.44Å; I165-E457 HydrophobicContact CG2-CB 3.83Å; I165-E457 HydrophobicContact CG2-CG 3.94Å; Q166-E457 HydrophobicContact CG-CG 4.2Å; Q166-E457 WeakPolarHBondContact CG-OE2 3.45Å; Q166-E457 PolarHBondContact NE2-OE1 3.21Å; Q166-E457 PolarHBondContact NE2-OE2 3.4Å; L169-E457 HydrophobicContact CD1-CB 3.6Å; V453-E457 HydrophobicContact CG1-CG 4.2Å; V453-E457 WeakPolarHBondContact O-CB 3.49Å; V453-E457 VanDerWaalsContact O-CG 3.29Å; V453-E457 WeakPolarHBondContact O-CG 3.46Å; V453-E457 PolarHBondContact O-N 2.94Å; L454-E457 PolarHBondContact O-N 3.37Å; E457-A459 PolarHBondContact O-N 2.92Å; E457-S460 PolarHBondContact O-N 2.82Å; E457-T461 WeakPolarHBondContact O-CB 3.32Å; E457-T461 PolarHBondContact O-N 2.91Å; E457-T461 PolarHBondContact O-OG1 3.48Å
458L94.3Very high94.8Very high0 Ų022.5 Ų22.50%012%0.118CC..Hα-helixtrans-57.4-49173.4-79.6168.4000111.8L169 I309 L454 S460 S462 F464 F490L169-L458 HydrophobicContact CD1-CD2 4.33Å; L169-L458 HydrophobicContact CD1-CG 4.32Å; L169-L458 HydrophobicContact CD2-CD2 3.6Å; L169-L458 HydrophobicContact CD2-CG 4.25Å; I309-L458 HydrophobicContact CD1-CD1 4.26Å; I309-L458 HydrophobicContact CG1-CD1 3.59Å; L454-L458 HydrophobicContact CD1-CD1 3.95Å; L454-L458 HydrophobicContact CD1-CG 4.04Å; L454-L458 HydrophobicContact CD2-CD1 4.45Å; L454-L458 HydrophobicContact CG-CD1 3.77Å; L454-L458 HydrophobicContact CG-CG 4.31Å; L454-L458 VanDerWaalsContact O-CB 3.25Å; L454-L458 WeakPolarHBondContact O-CB 3.27Å; L454-L458 WeakPolarHBondContact O-CD1 3.38Å; L454-L458 WeakPolarHBondContact O-CG 3.41Å; L454-L458 PolarHBondContact O-N 2.93Å; L458-S460 VanDerWaalsContact C-N 3.28Å; L458-S460 PolarHBondContact O-N 3.43Å; L458-S462 WeakPolarHBondContact O-CB 3.34Å; L458-S462 PolarHBondContact O-N 3.44Å; L458-S462 VanDerWaalsContact O-O 3.11Å; L458-F464 HydrophobicContact CB-CE1 4.31Å; L458-F464 HydrophobicContact CD2-CD1 4.37Å; L458-F464 HydrophobicContact CD2-CE1 4.22Å; L458-F490 HydrophobicContact CD2-CE1 3.81Å
459A93.3Very high94.5Very high1 Ų131.7 Ų31.71%0.00815%0.151CC..Hα-helixtrans-68.9-28.9-176.700000113.2L319 L322 R323 L326 A455 V456 E457L319-A459 HydrophobicContact CD1-CB 3.83Å; L322-A459 HydrophobicContact CD2-CB 3.21Å; R323-A459 HydrophobicContact CG-CB 4.14Å; R323-A459 PolarHBondContact NE-O 2.89Å; L326-A459 HydrophobicContact CD1-CB 3.87Å; A455-A459 WeakPolarHBondContact O-CB 3.39Å; A455-A459 PolarHBondContact O-N 2.88Å; V456-A459 PolarHBondContact O-N 3.47Å; E457-A459 PolarHBondContact O-N 2.92Å
460S88.2Confident94.3Very high6 Ų636.2 Ų36.24%0.04218%0.179CC..Hα-helixtrans-91.3-31.2-175.3-53.40000113.7V456 E457 L458V456-S460 VanDerWaalsContact O-CB 3.23Å; V456-S460 WeakPolarHBondContact O-CB 3.27Å; V456-S460 PolarHBondContact O-N 2.86Å; V456-S460 PolarHBondContact O-OG 2.91Å; E457-S460 PolarHBondContact O-N 2.82Å; L458-S460 VanDerWaalsContact C-N 3.28Å; L458-S460 PolarHBondContact O-N 3.43Å
461T84.6Confident94.1Very high31 Ų3138.4 Ų38.419%0.1919%0.189CC..Hα-helixtrans-121.7-12.1-166.569.70000114.4P338 E457 L493P338-T461 HydrophobicContact CB-CG2 4.47Å; P338-T461 HydrophobicContact CG-CG2 3.91Å; E457-T461 WeakPolarHBondContact O-CB 3.32Å; E457-T461 PolarHBondContact O-N 2.91Å; E457-T461 PolarHBondContact O-OG1 3.48Å; T461-L493 PolarHBondContact O-N 2.96Å; T461-L493 VanDerWaalsContact O-N 3.09Å
462S85Confident93.9Very high0 Ų039.2 Ų39.20%019%0.194CC..EExtended strand (participates in β ladder)trans-127.9136.3-169.1-59.40000112.4L458L458-S462 WeakPolarHBondContact O-CB 3.34Å; L458-S462 PolarHBondContact O-N 3.44Å; L458-S462 VanDerWaalsContact O-O 3.11Å
463R90Very high93.6Very high78 Ų7848 Ų4829%0.29423%0.227SC..EExtended strand (participates in β ladder)trans-102.9137.1156.6-175.7-174.984.292.55.8107.1E465 F490 F491 L493R463-E465 IonicContact CZ-OE1 2.76Å; R463-E465 IonicContact CZ-OE2 3.06Å; R463-E465 IonicContact NH1-OE1 2.78Å; R463-E465 PolarHBondContact NH1-OE1 3.28Å; R463-E465 IonicContact NH1-OE2 3.89Å; R463-E465 PolarHBondContact NH1-OE2 2.86Å; R463-E465 IonicContact NH2-OE1 3.43Å; R463-E465 IonicContact NH2-OE2 3.96Å; R463-E465 PolarHBondContact NH2-OE2 3.49Å; R463-F490 CarbonylContact O-C 3.05Å; R463-F491 HydrophobicContact CB-CB 4.25Å; R463-F491 PolarHBondContact N-O 3.45Å; R463-F491 VanDerWaalsContact NH2-CE1 3.31Å; R463-F491 PolarHBondContact O-N 2.87Å; R463-L493 HydrophobicContact CB-CD2 3.97Å
464F94Very high93.3Very high17 Ų1750.4 Ų50.48%0.07524%0.239CC..EExtended strand (participates in β ladder)trans-145.7142.6-176.749.8-84.7000110.8I309 L312 L313 L319 L458 V488 K489 F490I309-F464 HydrophobicContact CG2-CD2 4.34Å; I309-F464 HydrophobicContact CG2-CE2 4.37Å; L312-F464 HydrophobicContact CB-CE2 4.22Å; L312-F464 HydrophobicContact CB-CZ 4.09Å; L313-F464 HydrophobicContact CD1-CD2 4.33Å; L313-F464 HydrophobicContact CD2-CD2 3.49Å; L313-F464 VanDerWaalsContact CD2-CD2 3.49Å; L313-F464 HydrophobicContact CD2-CE2 3.97Å; L313-F464 WeakPolarHBondContact CD2-O 3.12Å; L313-F464 HydrophobicContact CG-CD2 3.64Å; L313-F464 HydrophobicContact CG-CE2 3.78Å; L319-F464 HydrophobicContact CD2-CE1 4.42Å; L319-F464 HydrophobicContact CD2-CZ 4.08Å; L458-F464 HydrophobicContact CB-CE1 4.31Å; L458-F464 HydrophobicContact CD2-CD1 4.37Å; L458-F464 HydrophobicContact CD2-CE1 4.22Å; F464-V488 HydrophobicContact CB-CG1 3.85Å; F464-K489 VanDerWaalsContact CA-O 3.27Å; F464-K489 WeakPolarHBondContact CA-O 3.32Å; F464-F490 HydrophobicContact CB-CD1 3.68Å; F464-F490 HydrophobicContact CB-CE1 3.72Å; F464-F490 HydrophobicContact CB-CG 4.17Å; F464-F490 HydrophobicContact CB-CZ 4.25Å; F464-F490 HydrophobicContact CD1-CE1 4.28Å; F464-F490 HydrophobicContact CG-CD1 4.36Å; F464-F490 HydrophobicContact CG-CE1 4.03Å
465E95.6Very high92.8Very high81 Ų8152.7 Ų52.738%0.37925%0.253SS..EExtended strand (participates in β ladder)trans-135.5142.9-172.8-65.5179147.300110.7R463 A467 V488 K489 F491R463-E465 IonicContact CZ-OE1 2.76Å; R463-E465 IonicContact CZ-OE2 3.06Å; R463-E465 IonicContact NH1-OE1 2.78Å; R463-E465 PolarHBondContact NH1-OE1 3.28Å; R463-E465 IonicContact NH1-OE2 3.89Å; R463-E465 PolarHBondContact NH1-OE2 2.86Å; R463-E465 IonicContact NH2-OE1 3.43Å; R463-E465 IonicContact NH2-OE2 3.96Å; R463-E465 PolarHBondContact NH2-OE2 3.49Å; E465-A467 PolarHBondContact O-N 3.45Å; E465-V488 WeakPolarHBondContact O-CA 3.41Å; E465-V488 VanDerWaalsContact O-CG1 3.32Å; E465-V488 WeakPolarHBondContact O-CG1 3.31Å; E465-K489 PolarHBondContact N-O 2.86Å; E465-K489 PolarHBondContact O-N 3.4Å; E465-F491 HydrophobicContact CB-CE2 4.36Å; E465-F491 HydrophobicContact CG-CE2 4.16Å; E465-F491 WeakPolarHBondContact OE2-CE2 3.48Å
466L97Very high92.1Very high43 Ų4354.5 Ų54.523%0.22526%0.263CS..EExtended strand (participates in β ladder)trans-65.5125.9174.2-172.670.3000109.2T468 F471 L486L466-T468 VanDerWaalsContact C-N 3.29Å; L466-T468 WeakPolarHBondContact CD2-O 3.42Å; L466-T468 WeakPolarHBondContact CG-O 3.24Å; L466-T468 WeakPolarHBondContact CG-OG1 3.26Å; L466-F471 HydrophobicContact CD1-CD1 4.08Å; L466-F471 HydrophobicContact CD1-CE1 4.03Å; L466-F471 HydrophobicContact CD2-CD1 4.08Å; L466-F471 HydrophobicContact CD2-CD2 4.02Å; L466-F471 HydrophobicContact CD2-CE1 4.03Å; L466-F471 HydrophobicContact CD2-CE2 3.96Å; L466-F471 HydrophobicContact CD2-CG 4.08Å; L466-F471 HydrophobicContact CD2-CZ 3.96Å; L466-F471 HydrophobicContact CG-CE1 4.49Å; L466-L486 HydrophobicContact CD1-CD1 3.83Å
467A96.1Very high91.3Very high55 Ų5558.8 Ų58.846%0.45529%0.289SS..SBendtrans-87.4-0.5-179.500000113.2A178 E465 S487A178-A467 HydrophobicContact CB-CB 3.33Å; E465-A467 PolarHBondContact O-N 3.45Å; A467-S487 PolarHBondContact N-O 3.41Å
468T94.3Very high90.6Very high52 Ų5262.1 Ų62.132%0.31931%0.311SS..SBendtrans-114.4162177.458.60000110.9L466 T470L466-T468 VanDerWaalsContact C-N 3.29Å; L466-T468 WeakPolarHBondContact CD2-O 3.42Å; L466-T468 WeakPolarHBondContact CG-O 3.24Å; L466-T468 WeakPolarHBondContact CG-OG1 3.26Å; T468-T470 VanDerWaalsContact C-N 3.31Å; T468-T470 PolarHBondContact O-N 2.87Å; T468-T470 PolarHBondContact OG1-O 2.76Å
469R92.4Very high90.4Very high254 Ų25462.9 Ų62.996%0.95832%0.316SS*.SBendtrans-68.7-29.6176.9-66.2-175-179.5180-0.3113.5
470T94.1Very high90.4Very high105 Ų10563 Ų6364%0.64432%0.316SS*.SBendtrans-138.6152.8-175.357.20000110.4T468T468-T470 VanDerWaalsContact C-N 3.31Å; T468-T470 PolarHBondContact O-N 2.87Å; T468-T470 PolarHBondContact OG1-O 2.76Å
471F94.7Very high90.7Very high48 Ų4864.7 Ų64.721%0.21132%0.323CS..PPolyproline II helixtrans-70.3140.7173.7-72.3-86.2000110.7M310 L313 K314 L466 L486M310-F471 HydrophobicContact CG-CD1 3.87Å; M310-F471 HydrophobicContact CG-CE1 4.19Å; L313-F471 HydrophobicContact CB-CE1 3.83Å; L313-F471 HydrophobicContact CB-CZ 3.9Å; L313-F471 HydrophobicContact CD1-CE1 4.38Å; K314-F471 HydrophobicContact CB-CZ 4.29Å; K314-F471 HydrophobicContact CD-CD1 4.34Å; K314-F471 HydrophobicContact CD-CD2 4.48Å; K314-F471 HydrophobicContact CD-CE1 4.39Å; K314-F471 HydrophobicContact CD-CG 4.37Å; K314-F471 HydrophobicContact CD-CZ 4.5Å; K314-F471 VanDerWaalsContact CE-CG 3.41Å; K314-F471 HydrophobicContact CG-CD1 3.99Å; K314-F471 HydrophobicContact CG-CD2 3.85Å; K314-F471 HydrophobicContact CG-CE1 3.63Å; K314-F471 HydrophobicContact CG-CE2 3.48Å; K314-F471 VanDerWaalsContact CG-CE2 3.48Å; K314-F471 HydrophobicContact CG-CG 4.09Å; K314-F471 HydrophobicContact CG-CZ 3.36Å; L466-F471 HydrophobicContact CD1-CD1 4.08Å; L466-F471 HydrophobicContact CD1-CE1 4.03Å; L466-F471 HydrophobicContact CD2-CD1 4.08Å; L466-F471 HydrophobicContact CD2-CD2 4.02Å; L466-F471 HydrophobicContact CD2-CE1 4.03Å; L466-F471 HydrophobicContact CD2-CE2 3.96Å; L466-F471 HydrophobicContact CD2-CG 4.08Å; L466-F471 HydrophobicContact CD2-CZ 3.96Å; L466-F471 HydrophobicContact CG-CE1 4.49Å; F471-L486 HydrophobicContact CD1-CD1 4.13Å; F471-L486 HydrophobicContact CE1-CD1 4.5Å
472P93.6Very high91.2Very high20 Ų2063.2 Ų63.213%0.1331%0.314CS..PPolyproline II helixtrans-68.5156.1-178.227.8-37.6000113.6P482 D484 L486P472-P482 HydrophobicContact CB-CB 4.15Å; P472-P482 HydrophobicContact CG-CB 3.59Å; P472-P482 HydrophobicContact CG-CG 4.34Å; P472-D484 VanDerWaalsContact CB-CG 3.49Å; P472-D484 WeakPolarHBondContact CB-OD1 3.3Å; P472-D484 WeakPolarHBondContact CG-OD1 3.33Å; P472-L486 HydrophobicContact CG-CB 4.45Å; P472-L486 HydrophobicContact CG-CD1 4.14Å
473R92.6Very high91.6Very high204 Ų20467.5 Ų67.577%0.7734%0.341SS*.PPolyproline II helixtrans-65.5151.2166.1-66.6-171.1-62.5139.90.9110.3V483R473-V483 HydrophobicContact CB-CG2 4.38Å; R473-V483 WeakPolarHBondContact O-CG2 3.4Å; R473-V483 PolarHBondContact O-N 3.46Å
474I91.8Very high91.8Very high50 Ų5067 Ų6726%0.25634%0.344SS..EExtended strand (participates in β ladder)trans-99.8130.9179.1-57.3-57.2000110M310 F365 L476 L480 P482M310-I474 HydrophobicContact CE-CD1 3.8Å; M310-I474 HydrophobicContact CE-CG1 4.5Å; M310-I474 HydrophobicContact SD-CD1 3.93Å; F365-I474 HydrophobicContact CE1-CG1 4.15Å; I474-L476 HydrophobicContact CG2-CD2 3.97Å; I474-L480 HydrophobicContact CG2-CD1 4.07Å; I474-L480 HydrophobicContact CG2-CD2 3.74Å; I474-L480 HydrophobicContact CG2-CG 3.54Å; I474-P482 HydrophobicContact CD1-CB 4.32Å; I474-P482 HydrophobicContact CD1-CG 3.92Å
475T88.1Confident91.9Very high50 Ų5066.4 Ų66.431%0.30734%0.342SS..EExtended strand (participates in β ladder)trans-89.5147.7163.3-145.50000109.6L480 H481T475-L480 CarbonylContact O-C 3.52Å; T475-L480 WeakPolarHBondContact O-CA 3.29Å; T475-H481 WeakPolarHBondContact CG2-CE1 3.31Å; T475-H481 WeakPolarHBondContact CG2-ND1 3.38Å; T475-H481 PolarHBondContact N-O 2.86Å; T475-H481 PolarHBondContact O-N 2.85Å
476L83.6Confident92Very high37 Ų3762.6 Ų62.619%0.19432%0.324CS..  trans-114.5-9.2-170.3-58.5170.4000113.6R397 I474 L480R397-L476 VanDerWaalsContact NH1-CD1 3.31Å; I474-L476 HydrophobicContact CG2-CD2 3.97Å; L476-L480 HydrophobicContact CD2-CD1 3.66Å; L476-L480 HydrophobicContact CD2-CG 4.12Å
477V79.8Confident92Very high92 Ų9262.1 Ų62.156%0.55833%0.325SS*.SBendtrans-139.1140.3-172.9-178.50000108.7
478P78.9Confident92.1Very high80 Ų8059.5 Ų59.552%0.51930%0.303SS..SBendcis-74.9-24.9-5.330.8-34.5000113.3F222F222-P478 HydrophobicContact CD2-CB 4.42Å; F222-P478 HydrophobicContact CE2-CB 4.26Å
479V90.8Very high92.2Very high17 Ų1760.4 Ų60.410%0.10330%0.303CS..SBendtrans-128.3139.1176.1-177.50000107.5A299 P367 I368 H481A299-V479 HydrophobicContact CB-CB 4.44Å; A299-V479 HydrophobicContact CB-CG1 4.33Å; A299-V479 HydrophobicContact CB-CG2 3.93Å; P367-V479 HydrophobicContact CB-CG1 4.4Å; I368-V479 HydrophobicContact CD1-CG2 3.95Å; V479-H481 PolarHBondContact O-N 3.25Å; V479-H481 PolarHBondContact O-ND1 3.31Å
480L93.3Very high92.3Very high2 Ų248.6 Ų48.61%0.0126%0.258CS..  trans-63.9129-178.3-177.9154000111.4S303 F365 P367 I474 T475 L476S303-L480 WeakPolarHBondContact CB-O 3.48Å; S303-L480 PolarHBondContact OG-O 3.3Å; F365-L480 HydrophobicContact CB-CD1 4.26Å; F365-L480 HydrophobicContact CB-CD2 3.92Å; F365-L480 HydrophobicContact CD1-CD1 4.3Å; F365-L480 HydrophobicContact CD1-CD2 3.95Å; F365-L480 HydrophobicContact CG-CD2 4.42Å; P367-L480 PolarHBondContact O-N 3.39Å; P367-L480 VanDerWaalsContact O-N 3.1Å; I474-L480 HydrophobicContact CG2-CD1 4.07Å; I474-L480 HydrophobicContact CG2-CD2 3.74Å; I474-L480 HydrophobicContact CG2-CG 3.54Å; T475-L480 CarbonylContact O-C 3.52Å; T475-L480 WeakPolarHBondContact O-CA 3.29Å; L476-L480 HydrophobicContact CD2-CD1 3.66Å; L476-L480 HydrophobicContact CD2-CG 4.12Å
481H94.6Very high92.1Very high42 Ų4246.1 Ų46.119%0.19424%0.239CC..EExtended strand (participates in β ladder)trans-163.3160.1171.858.3-79000112.8Y182 T475 V479Y182-H481 HydrophobicContact CD1-CB 3.99Å; Y182-H481 AromaticContact CD1-CD2 3.66Å; Y182-H481 AromaticContact CD1-CG 3.95Å; Y182-H481 HydrophobicContact CD2-CB 3.73Å; Y182-H481 HydrophobicContact CE1-CB 3.8Å; Y182-H481 AromaticContact CE1-CD2 3.38Å; Y182-H481 WeakPolarHBondContact CE1-CD2 3.14Å; Y182-H481 AromaticContact CE1-CG 3.47Å; Y182-H481 VanDerWaalsContact CE1-CG 3.47Å; Y182-H481 AromaticContact CE1-ND1 3.97Å; Y182-H481 AromaticContact CE1-NE2 3.87Å; Y182-H481 HydrophobicContact CE2-CB 3.54Å; Y182-H481 HydrophobicContact CG-CB 3.96Å; Y182-H481 AromaticContact CZ-CD2 3.97Å; Y182-H481 AromaticContact CZ-CG 3.54Å; Y182-H481 AromaticContact CZ-ND1 3.84Å; T475-H481 WeakPolarHBondContact CG2-CE1 3.31Å; T475-H481 WeakPolarHBondContact CG2-ND1 3.38Å; T475-H481 PolarHBondContact N-O 2.86Å; T475-H481 PolarHBondContact O-N 2.85Å; V479-H481 PolarHBondContact O-N 3.25Å; V479-H481 PolarHBondContact O-ND1 3.31Å
482P95.6Very high91.3Very high0 Ų046.1 Ų46.10%025%0.252CS..EExtended strand (participates in β ladder)trans-58.5135.8168.3-28.439.3000113.8T306 M310 P472 I474 D484 G485 L486T306-P482 HydrophobicContact CG2-CG 3.77Å; M310-P482 HydrophobicContact SD-CG 4.43Å; P472-P482 HydrophobicContact CB-CB 4.15Å; P472-P482 HydrophobicContact CG-CB 3.59Å; P472-P482 HydrophobicContact CG-CG 4.34Å; I474-P482 HydrophobicContact CD1-CB 4.32Å; I474-P482 HydrophobicContact CD1-CG 3.92Å; P482-D484 VanDerWaalsContact C-N 3.34Å; P482-D484 PolarHBondContact O-N 2.92Å; P482-G485 PolarHBondContact O-N 3.49Å; P482-L486 HydrophobicContact CB-CB 4.08Å; P482-L486 HydrophobicContact CG-CB 3.93Å
483V93.4Very high89.9Confident91 Ų9146.8 Ų46.855%0.55225%0.254SS*.THydrogen-bonded Turntrans-62.8-36.3-176.7171.80000113.2R473R473-V483 HydrophobicContact CB-CG2 4.38Å; R473-V483 WeakPolarHBondContact O-CG2 3.4Å; R473-V483 PolarHBondContact O-N 3.46Å
484D93.6Very high88Confident68 Ų6843.6 Ų43.636%0.36425%0.252SS..THydrogen-bonded Turntrans-93.83.5176.167.7-3.3000112.8N180 P472 P482 L486N180-D484 PolarHBondContact ND2-O 2.86Å; P472-D484 VanDerWaalsContact CB-CG 3.49Å; P472-D484 WeakPolarHBondContact CB-OD1 3.3Å; P472-D484 WeakPolarHBondContact CG-OD1 3.33Å; P482-D484 VanDerWaalsContact C-N 3.34Å; P482-D484 PolarHBondContact O-N 2.92Å; D484-L486 VanDerWaalsContact C-N 3.31Å; D484-L486 PolarHBondContact O-N 3.4Å; D484-L486 PolarHBondContact OD1-N 3.41Å
485G95.2Very high85.7Confident4 Ų444 Ų444%0.04126%0.26CS..  trans73.810.2-176.300000116.3N180 V181 Y182 P482N180-G485 WeakPolarHBondContact OD1-CA 3.44Å; N180-G485 PolarHBondContact OD1-O 3.34Å; V181-G485 PolarHBondContact N-O 2.89Å; V181-G485 VanDerWaalsContact N-O 3.11Å; Y182-G485 PolarHBondContact N-O 2.94Å; P482-G485 PolarHBondContact O-N 3.49Å
486L98.1Very high83.2Confident0 Ų049 Ų490%028%0.284CS..  trans61.595.1179.7-176.876.9000112.5V181 T306 I309 M310 L466 F471 P472 P482 D484 V488V181-L486 HydrophobicContact CB-CB 4.34Å; V181-L486 HydrophobicContact CB-CD2 4.17Å; V181-L486 HydrophobicContact CB-CG 4.49Å; V181-L486 WeakPolarHBondContact CB-O 3.35Å; V181-L486 HydrophobicContact CG1-CD2 4.27Å; V181-L486 HydrophobicContact CG2-CD2 4.36Å; V181-L486 WeakPolarHBondContact CG2-O 3.28Å; V181-L486 PolarHBondContact N-O 2.79Å; T306-L486 HydrophobicContact CG2-CB 4.17Å; T306-L486 HydrophobicContact CG2-CD2 3.97Å; I309-L486 HydrophobicContact CG2-CD2 4.24Å; M310-L486 HydrophobicContact CB-CD1 4.39Å; M310-L486 HydrophobicContact CB-CD2 3.83Å; M310-L486 HydrophobicContact CG-CD1 4.13Å; M310-L486 HydrophobicContact CG-CD2 4.46Å; L466-L486 HydrophobicContact CD1-CD1 3.83Å; F471-L486 HydrophobicContact CD1-CD1 4.13Å; F471-L486 HydrophobicContact CE1-CD1 4.5Å; P472-L486 HydrophobicContact CG-CB 4.45Å; P472-L486 HydrophobicContact CG-CD1 4.14Å; P482-L486 HydrophobicContact CB-CB 4.08Å; P482-L486 HydrophobicContact CG-CB 3.93Å; D484-L486 VanDerWaalsContact C-N 3.31Å; D484-L486 PolarHBondContact O-N 3.4Å; D484-L486 PolarHBondContact OD1-N 3.41Å; L486-V488 HydrophobicContact CD1-CG2 4.45Å; L486-V488 HydrophobicContact CD2-CG2 4.1Å; L486-V488 HydrophobicContact CG-CG2 3.77Å
487S97.9Very high81.2Confident33 Ų3354.5 Ų54.523%0.23131%0.309CS..EExtended strand (participates in β ladder)trans-80.3117.9178.8-170.10000111.9A178 I179 A467A178-S487 WeakPolarHBondContact CB-OG 3.37Å; I179-S487 WeakPolarHBondContact O-CA 3.34Å; A467-S487 PolarHBondContact N-O 3.41Å
488V97.9Very high79.3Confident0 Ų054.3 Ų54.30%031%0.305CS..EExtended strand (participates in β ladder)trans-137139.1-173.6-179.30000110.4A178 I179 V181 L313 F464 E465 L486 F490A178-V488 WeakPolarHBondContact CA-O 3.37Å; I179-V488 WeakPolarHBondContact CG1-O 3.24Å; I179-V488 PolarHBondContact N-O 2.89Å; I179-V488 PolarHBondContact O-N 2.87Å; V181-V488 HydrophobicContact CG2-CB 3.62Å; V181-V488 HydrophobicContact CG2-CG2 3.53Å; L313-V488 HydrophobicContact CD1-CG1 4.26Å; L313-V488 HydrophobicContact CD1-CG2 3.65Å; F464-V488 HydrophobicContact CB-CG1 3.85Å; E465-V488 WeakPolarHBondContact O-CA 3.41Å; E465-V488 VanDerWaalsContact O-CG1 3.32Å; E465-V488 WeakPolarHBondContact O-CG1 3.31Å; L486-V488 HydrophobicContact CD1-CG2 4.45Å; L486-V488 HydrophobicContact CD2-CG2 4.1Å; L486-V488 HydrophobicContact CG-CG2 3.77Å; V488-F490 HydrophobicContact CB-CD2 4.4Å; V488-F490 HydrophobicContact CB-CE2 3.8Å; V488-F490 HydrophobicContact CB-CZ 4.47Å; V488-F490 HydrophobicContact CG1-CD2 3.94Å; V488-F490 HydrophobicContact CG1-CE2 3.5Å; V488-F490 VanDerWaalsContact CG1-CE2 3.5Å; V488-F490 HydrophobicContact CG1-CZ 3.9Å
489K96.9Very high77.5Confident72 Ų7259.2 Ų59.231%0.31332%0.318SS..EExtended strand (participates in β ladder)trans-99.2128.5170-171.3163.6177.51560109.8P176 A178 F464 E465 F491P176-K489 VanDerWaalsContact O-CE 3.28Å; P176-K489 WeakPolarHBondContact O-CE 3.22Å; P176-K489 PolarHBondContact O-NZ 3.49Å; A178-K489 HydrophobicContact CB-CB 4.42Å; F464-K489 VanDerWaalsContact CA-O 3.27Å; F464-K489 WeakPolarHBondContact CA-O 3.32Å; E465-K489 PolarHBondContact N-O 2.86Å; E465-K489 PolarHBondContact O-N 3.4Å; K489-F491 HydrophobicContact CB-CE2 4.16Å; K489-F491 HydrophobicContact CB-CZ 4.24Å; K489-F491 HydrophobicContact CD-CE1 4.09Å; K489-F491 HydrophobicContact CD-CE2 4.4Å; K489-F491 HydrophobicContact CD-CZ 3.66Å; K489-F491 HydrophobicContact CG-CE1 4.15Å; K489-F491 HydrophobicContact CG-CE2 3.88Å; K489-F491 HydrophobicContact CG-CZ 3.62Å
490F94.7Very high75.1Confident5 Ų563 Ų632%0.02234%0.337CS..EExtended strand (participates in β ladder)trans-104.1147.2178-72.5-99.4000110.2W172 I179 V181 I309 L458 R463 F464 V488W172-F490 HydrophobicContact CB-CB 4.14Å; W172-F490 HydrophobicContact CB-CD2 4.13Å; W172-F490 HydrophobicContact CB-CG 4.02Å; W172-F490 HydrophobicContact CE3-CD1 4.19Å; W172-F490 HydrophobicContact CE3-CD2 4.26Å; W172-F490 AromaticContact CE3-CE1 3.76Å; W172-F490 HydrophobicContact CE3-CE1 3.76Å; W172-F490 AromaticContact CE3-CE2 3.81Å; W172-F490 HydrophobicContact CE3-CE2 3.81Å; W172-F490 HydrophobicContact CE3-CG 4.44Å; W172-F490 AromaticContact CE3-CZ 3.55Å; W172-F490 HydrophobicContact CE3-CZ 3.55Å; W172-F490 HydrophobicContact CZ3-CE1 4.18Å; W172-F490 HydrophobicContact CZ3-CE2 4.36Å; W172-F490 AromaticContact CZ3-CZ 3.81Å; W172-F490 HydrophobicContact CZ3-CZ 3.81Å; I179-F490 HydrophobicContact CD1-CD2 3.82Å; I179-F490 HydrophobicContact CD1-CE2 3.71Å; I179-F490 HydrophobicContact CG1-CD2 3.96Å; I179-F490 HydrophobicContact CG1-CE2 3.94Å; V181-F490 HydrophobicContact CG2-CE2 3.95Å; V181-F490 HydrophobicContact CG2-CZ 4.3Å; I309-F490 HydrophobicContact CG2-CZ 4.45Å; L458-F490 HydrophobicContact CD2-CE1 3.81Å; R463-F490 CarbonylContact O-C 3.05Å; F464-F490 HydrophobicContact CB-CD1 3.68Å; F464-F490 HydrophobicContact CB-CE1 3.72Å; F464-F490 HydrophobicContact CB-CG 4.17Å; F464-F490 HydrophobicContact CB-CZ 4.25Å; F464-F490 HydrophobicContact CD1-CE1 4.28Å; F464-F490 HydrophobicContact CG-CD1 4.36Å; F464-F490 HydrophobicContact CG-CE1 4.03Å; V488-F490 HydrophobicContact CB-CD2 4.4Å; V488-F490 HydrophobicContact CB-CE2 3.8Å; V488-F490 HydrophobicContact CB-CZ 4.47Å; V488-F490 HydrophobicContact CG1-CD2 3.94Å; V488-F490 HydrophobicContact CG1-CE2 3.5Å; V488-F490 VanDerWaalsContact CG1-CE2 3.5Å; V488-F490 HydrophobicContact CG1-CZ 3.9Å
491F89.1Confident72.4Confident54 Ų5468.7 Ų68.724%0.23737%0.367CS..EExtended strand (participates in β ladder)trans-134.3131.7178-51.2-95.8000108.2R463 E465 K489R463-F491 HydrophobicContact CB-CB 4.25Å; R463-F491 PolarHBondContact N-O 3.45Å; R463-F491 VanDerWaalsContact NH2-CE1 3.31Å; R463-F491 PolarHBondContact O-N 2.87Å; E465-F491 HydrophobicContact CB-CE2 4.36Å; E465-F491 HydrophobicContact CG-CE2 4.16Å; E465-F491 WeakPolarHBondContact OE2-CE2 3.48Å; K489-F491 HydrophobicContact CB-CE2 4.16Å; K489-F491 HydrophobicContact CB-CZ 4.24Å; K489-F491 HydrophobicContact CD-CE1 4.09Å; K489-F491 HydrophobicContact CD-CE2 4.4Å; K489-F491 HydrophobicContact CD-CZ 3.66Å; K489-F491 HydrophobicContact CG-CE1 4.15Å; K489-F491 HydrophobicContact CG-CE2 3.88Å; K489-F491 HydrophobicContact CG-CZ 3.62Å
492G77.3Confident69.7Low47 Ų4772 Ų7249%0.48539%0.392SS..EExtended strand (participates in β ladder)trans-65.5134.1172.600000110.1S173 D494S173-G492 PolarHBondContact OG-N 3.25Å; G492-D494 VanDerWaalsContact C-N 3.33Å; G492-D494 PolarHBondContact O-N 2.9Å; G492-D494 VanDerWaalsContact O-N 3.13Å
493L65.1Low66.9Low34 Ų3479.3 Ų79.318%0.17843%0.426CS..  trans-79.786167.6-66.5175000108.2T461 R463 S495T461-L493 PolarHBondContact O-N 2.96Å; T461-L493 VanDerWaalsContact O-N 3.09Å; R463-L493 HydrophobicContact CB-CD2 3.97Å; L493-S495 PolarHBondContact O-N 3.34Å
494D52.7Low64.2Low137 Ų13778.7 Ų78.773%0.73342%0.423SS*.  trans-59.2138155.7-78-19.2000107G492 N496 Q497G492-D494 VanDerWaalsContact C-N 3.33Å; G492-D494 PolarHBondContact O-N 2.9Å; G492-D494 VanDerWaalsContact O-N 3.13Å; D494-N496 PolarHBondContact O-N 3.45Å; D494-Q497 PolarHBondContact O-N 3.08Å
495S42.6Very low61.4Low60 Ų6083.2 Ų83.242%0.4244%0.442SS..THydrogen-bonded Turntrans-6018-164.258.90000117.2L493L493-S495 PolarHBondContact O-N 3.34Å
496N35.9Very low58.5Low153 Ų15386.2 Ų86.282%0.81847%0.466SS*.THydrogen-bonded Turntrans-1325.8-175.3-78.7-26.8000115.9D494D494-N496 PolarHBondContact O-N 3.45Å
497Q41.1Very low55.3Low153 Ų15394.2 Ų94.272%0.71551%0.505SS*.  trans-119.444.2-175.8-63.2-167.311.400115.3D494 K499D494-Q497 PolarHBondContact O-N 3.08Å; Q497-K499 PolarHBondContact O-N 3.41Å
498N40.3Very low52.2Low89 Ų8998.6 Ų98.648%0.47653%0.526SS..  trans-75.343.6177.5-90.7-10.8000115G336G336-N498 VanDerWaalsContact CA-ND2 3.26Å; G336-N498 WeakPolarHBondContact CA-ND2 3.42Å; G336-N498 PolarHBondContact N-ND2 3.49Å
499K40.3Very low48.9Very low183 Ų183103.4 Ų103.480%0.79656%0.56SS**  trans-123.6113.4170.3-74.7-172.1178.2-179.10110.7Q497 L501Q497-K499 PolarHBondContact O-N 3.41Å; K499-L501 PolarHBondContact O-N 2.86Å
500I40.2Very low45.6Very low97 Ų97103.3 Ų103.350%0.49757%0.572SS.*  trans-60.7121.1160.9-61.3173.8000106
501L38.5Very low42.5Very low121 Ų121109.9 Ų109.963%0.63461%0.613SS**  trans-67.4128.5172.1-75.1165.8000107.9K499 E503K499-L501 PolarHBondContact O-N 2.86Å; L501-E503 PolarHBondContact O-N 3.4Å
502P37.3Very low39.8Very low111 Ų111117.4 Ų117.472%0.72166%0.663SS**G310 helixtrans-62.2-3.8-174.8-22.532.6000115.8T504P502-T504 VanDerWaalsContact C-N 3.34Å; P502-T504 PolarHBondContact O-N 3.26Å
503E37.2Very low37.9Very low153 Ų153121 Ų12172%0.71567%0.672SS**G310 helixtrans-82.2-5-167.9-66.1-174.2163.600114.6L501 E505 A506L501-E503 PolarHBondContact O-N 3.4Å; E503-E505 VanDerWaalsContact C-N 3.32Å; E503-E505 PolarHBondContact O-N 3.1Å; E503-A506 PolarHBondContact O-N 3.45Å
504T36.7Very low36.5Very low79 Ų79125.5 Ų125.549%0.48570%0.698SS.*G310 helixtrans-73.4-21.7-179.4-19.70000113.4P502P502-T504 VanDerWaalsContact C-N 3.34Å; P502-T504 PolarHBondContact O-N 3.26Å
505E34.7Very low35.6Very low162 Ų162124.9 Ų124.976%0.75770%0.696SS**THydrogen-bonded Turntrans-72.2-30.8174.8-81.6-174.3154.300112.6E503 M507 L508E503-E505 VanDerWaalsContact C-N 3.32Å; E503-E505 PolarHBondContact O-N 3.1Å; E505-M507 VanDerWaalsContact C-N 3.31Å; E505-M507 PolarHBondContact O-N 3.42Å; E505-L508 PolarHBondContact O-N 3.2Å
506A33.1Very low35.2Very low68 Ų68128.7 Ų128.756%0.56271%0.712SS**THydrogen-bonded Turntrans-71.9-23.4-176.400000113.6E503 S509E503-A506 PolarHBondContact O-N 3.45Å; A506-S509 PolarHBondContact O-OG 2.84Å
507M31.3Very low35.1Very low167 Ų167127.2 Ų127.282%0.82371%0.705SS**THydrogen-bonded Turntrans-84.8-16.5179.7-69.5-112.897.800113.5E505E505-M507 VanDerWaalsContact C-N 3.31Å; E505-M507 PolarHBondContact O-N 3.42Å
508L32.6Very low34.8Very low125 Ų125125.5 Ų125.565%0.65471%0.705SS**THydrogen-bonded Turntrans-97.7-12.4-179-73.2167000113.6E505E505-L508 PolarHBondContact O-N 3.2Å
509S28.5Very low34.4Very low102 Ų102128.1 Ų128.171%0.71372%0.721SS**SBendtrans-90.34.7176.953.10000114.5A506A506-S509 PolarHBondContact O-OG 2.84Å
510A28.8Very low33.9Very low70 Ų70123.8 Ų123.858%0.57972%0.715SS**SBendtrans-123.360.4-175.600000112.8
511T29.5Very low33.4Very low142 Ų142126.1 Ų126.187%0.87173%0.734SS**  trans-170132.9137.12.20000111.8
512V32.4Very low32.9Very low213 Ų213126.5 Ų126.5100%1.29174%0.743SS**  trans-64.80171.5173.80000111.6

Retrieved 512 of 512 residues in 140.7 ms (Link to these results)

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