A0A077YYV9_TRITR Loading...

Solute carrier family 25 4

AlphaFold DB , UniProt , Accession A0A077YYV9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 358 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.8Very low32.9Very low250 Ų250116.4 Ų116.4100%1.23267%0.668SS**  0121.80-87170.8164.400107.4
2G36.3Very low33.6Very low71 Ų71113.8 Ų113.873%0.73266%0.656SS**  trans93.668.1-175.700000113.2L4G2-L4 PolarHBondContact O-N 3Å; G2-L4 VanDerWaalsContact O-N 3.15Å
3S32Very low33.8Very low105 Ų105110.7 Ų110.773%0.73466%0.664SS**  trans-56.6114.6147.741.70000105.5D5S3-D5 PolarHBondContact O-N 2.86Å
4L29.2Very low34.3Very low145 Ų145113.1 Ų113.176%0.75967%0.671SS**  trans-68.185.3175.2-134.7108000106.2G2 L6 V9G2-L4 PolarHBondContact O-N 3Å; G2-L4 VanDerWaalsContact O-N 3.15Å; L4-L6 PolarHBondContact O-N 2.89Å; L4-V9 HydrophobicContact CD2-CG2 4.34Å
5D31Very low34.6Very low99 Ų99113.7 Ų113.753%0.52966%0.663SS.*  trans-63.2108174.7-115.8-22.1000105.8S3 S7 T8S3-D5 PolarHBondContact O-N 2.86Å; D5-S7 WeakPolarHBondContact CB-OG 3.21Å; D5-S7 PolarHBondContact O-N 3.43Å; D5-T8 PolarHBondContact O-N 3.08Å; D5-T8 PolarHBondContact O-OG1 3.35Å
6L30.4Very low35.3Very low120 Ų120113.3 Ų113.363%0.62865%0.652SS**Hα-helixtrans-62.9-13.5-175.7-150.575.8000111.5L4 T8 V9L4-L6 PolarHBondContact O-N 2.89Å; L6-T8 VanDerWaalsContact C-N 3.31Å; L6-V9 PolarHBondContact O-N 3.13Å
7S31.2Very low36.6Very low62 Ų62111.9 Ų111.943%0.43465%0.646SS.*Hα-helixtrans-57.8-40.7165.949.10000111.8D5 V9 F10 D11D5-S7 WeakPolarHBondContact CB-OG 3.21Å; D5-S7 PolarHBondContact O-N 3.43Å; S7-V9 VanDerWaalsContact C-N 3.31Å; S7-V9 PolarHBondContact O-N 3.3Å; S7-F10 CarbonylContact O-C 3.59Å; S7-F10 PolarHBondContact O-N 3.27Å; S7-F10 VanDerWaalsContact O-N 3.12Å; S7-D11 WeakPolarHBondContact O-CB 3.33Å; S7-D11 PolarHBondContact O-N 3.43Å
8T30.5Very low37.7Very low97 Ų97106.5 Ų106.560%0.59561%0.614SS**Hα-helixtrans-72.8-19.6-178.259.70000114.5D5 L6 F10D5-T8 PolarHBondContact O-N 3.08Å; D5-T8 PolarHBondContact O-OG1 3.35Å; L6-T8 VanDerWaalsContact C-N 3.31Å; T8-F10 VanDerWaalsContact C-N 3.28Å
9V34.8Very low39.1Very low81 Ų81105.9 Ų105.949%0.49161%0.605SS.*Hα-helixtrans-78.6-18.6174.1-179.20000111.2L4 L6 S7L4-V9 HydrophobicContact CD2-CG2 4.34Å; L6-V9 PolarHBondContact O-N 3.13Å; S7-V9 VanDerWaalsContact C-N 3.31Å; S7-V9 PolarHBondContact O-N 3.3Å
10F37.9Very low40.2Very low127 Ų127107 Ų10756%0.55760%0.599SS**Hα-helixtrans-122.74.2-179.4-65.7-74.2000114.6S7 T8 T12S7-F10 CarbonylContact O-C 3.59Å; S7-F10 PolarHBondContact O-N 3.27Å; S7-F10 VanDerWaalsContact O-N 3.12Å; T8-F10 VanDerWaalsContact C-N 3.28Å; F10-T12 PolarHBondContact O-N 3.33Å
11D35.3Very low41.4Very low123 Ų123109.2 Ų109.266%0.65861%0.605SS**  trans-71.343.6163.9-99.6-19.7000111.5S7 G13S7-D11 WeakPolarHBondContact O-CB 3.33Å; S7-D11 PolarHBondContact O-N 3.43Å; D11-G13 VanDerWaalsContact C-N 3.27Å; D11-G13 PolarHBondContact O-N 3.05Å
12T41.3Very low42.9Very low86 Ų8699.3 Ų99.353%0.52856%0.556SS.*  trans-66.8100152.549.60000105.3F10 D14 F15F10-T12 PolarHBondContact O-N 3.33Å; T12-D14 PolarHBondContact O-N 3.03Å; T12-F15 PolarHBondContact O-N 2.69Å
13G35.8Very low44.6Very low73 Ų7396.4 Ų96.475%0.75352%0.524SS*.THydrogen-bonded Turntrans-55.913.4-169.400000118.1D11D11-G13 VanDerWaalsContact C-N 3.27Å; D11-G13 PolarHBondContact O-N 3.05Å
14D40.5Very low46.9Very low144 Ų14494.4 Ų94.477%0.7751%0.505SS*.THydrogen-bonded Turntrans-128.6-3.3175.3-71.8-45000114.3T12T12-D14 PolarHBondContact O-N 3.03Å
15F38.3Very low49.3Very low123 Ų12391.2 Ų91.254%0.53949%0.487SS..  trans-12392.5178.3-71.1-78.5000111.8T12 V17T12-F15 PolarHBondContact O-N 2.69Å; F15-V17 VanDerWaalsContact C-N 3.32Å; F15-V17 PolarHBondContact O-N 3.12Å
16Q46.2Very low51.8Low106 Ų10691.3 Ų91.350%0.49549%0.493SS..  trans-65.293.7163.5-78.5-174.8-11.500109.1I18 L356Q16-I18 PolarHBondContact O-N 2.87Å; Q16-I18 VanDerWaalsContact O-N 3.11Å; Q16-L356 HydrophobicContact CB-CD2 4.08Å
17V57.7Low54.4Low90 Ų9090.2 Ų90.255%0.54548%0.483SS..  trans-58.2116.5165.41780000106.9F15 E19F15-V17 VanDerWaalsContact C-N 3.32Å; F15-V17 PolarHBondContact O-N 3.12Å; V17-E19 PolarHBondContact O-N 2.79Å
18I56.9Low56.9Low15 Ų1587.4 Ų87.48%0.07746%0.463CS..  trans-59.4104.9179.6-57.3167000108.8Q16 M22 M23 K344 V348 L356 W358Q16-I18 PolarHBondContact O-N 2.87Å; Q16-I18 VanDerWaalsContact O-N 3.11Å; I18-M22 HydrophobicContact CG2-CB 4.44Å; I18-M23 HydrophobicContact CG2-CE 4.17Å; I18-M23 HydrophobicContact CG2-CG 3.56Å; I18-M23 HydrophobicContact CG2-SD 3.7Å; I18-K344 HydrophobicContact CD1-CB 3.87Å; I18-V348 HydrophobicContact CD1-CG2 4.08Å; I18-V348 HydrophobicContact CG1-CG2 4.5Å; I18-V348 HydrophobicContact CG2-CG2 4.01Å; I18-L356 HydrophobicContact CG1-CD2 4.35Å; I18-W358 HydrophobicContact CD1-CH2 3.7Å; I18-W358 HydrophobicContact CD1-CZ3 3.77Å; I18-W358 HydrophobicContact CG1-CH2 4.4Å; I18-W358 HydrophobicContact CG1-CZ3 4.47Å
19E63.6Low59.5Low95 Ų9586.3 Ų86.344%0.44445%0.453SS..  trans-77.3156.3176.2-63.6-169.1165.600111.1V17 Q21 M22V17-E19 PolarHBondContact O-N 2.79Å; E19-Q21 HydrophobicContact CB-CG 3.98Å; E19-Q21 PolarHBondContact O-N 3.44Å; E19-Q21 PolarHBondContact OE2-NE2 3.32Å; E19-M22 HydrophobicContact CB-CG 4.46Å; E19-M22 WeakPolarHBondContact O-CB 3.47Å; E19-M22 PolarHBondContact O-N 2.86Å
20W61.8Low62Low127 Ų12784.3 Ų84.348%0.48145%0.449SS..G310 helixtrans-57.2-32.6-180-70100.5000113.4M22 M23 M25 F28W20-M22 VanDerWaalsContact C-N 3.27Å; W20-M22 PolarHBondContact O-N 2.74Å; W20-M23 HydrophobicContact CD2-CE 4.16Å; W20-M23 HydrophobicContact CE3-CE 3.83Å; W20-M23 HydrophobicContact CZ3-CE 4.33Å; W20-M23 PolarHBondContact O-N 2.76Å; W20-M25 HydrophobicContact CB-CE 4.46Å; W20-M25 HydrophobicContact CD2-CE 4.4Å; W20-M25 HydrophobicContact CE3-CE 3.61Å; W20-M25 HydrophobicContact CE3-SD 4.04Å; W20-M25 HydrophobicContact CZ3-CE 4.21Å; W20-M25 HydrophobicContact CZ3-SD 4.06Å; W20-F28 HydrophobicContact CH2-CD1 4.27Å; W20-F28 AromaticContact CH2-CE1 3.52Å; W20-F28 HydrophobicContact CH2-CE1 3.52Å; W20-F28 AromaticContact CH2-CZ 3.91Å; W20-F28 HydrophobicContact CH2-CZ 3.91Å; W20-F28 AromaticContact CZ3-CD1 3.61Å; W20-F28 HydrophobicContact CZ3-CD1 3.61Å; W20-F28 AromaticContact CZ3-CE1 3.33Å; W20-F28 HydrophobicContact CZ3-CE1 3.33Å; W20-F28 HydrophobicContact CZ3-CG 4.42Å; W20-F28 AromaticContact CZ3-CZ 3.94Å; W20-F28 HydrophobicContact CZ3-CZ 3.94Å
21Q64.5Low64.4Low154 Ų15481.1 Ų81.172%0.7244%0.437SS*.G310 helixtrans-69.8-20.8178.151.3-177.5-29.100114E19 M23E19-Q21 HydrophobicContact CB-CG 3.98Å; E19-Q21 PolarHBondContact O-N 3.44Å; E19-Q21 PolarHBondContact OE2-NE2 3.32Å; Q21-M23 VanDerWaalsContact C-N 3.28Å
22M66.2Low66.9Low43 Ų4377.4 Ų77.421%0.21242%0.417CS..G310 helixtrans-83.8-5.3176.4-58.5-179.2-179.500112.8I18 E19 W20 H349 L352I18-M22 HydrophobicContact CG2-CB 4.44Å; E19-M22 HydrophobicContact CB-CG 4.46Å; E19-M22 WeakPolarHBondContact O-CB 3.47Å; E19-M22 PolarHBondContact O-N 2.86Å; W20-M22 VanDerWaalsContact C-N 3.27Å; W20-M22 PolarHBondContact O-N 2.74Å; M22-H349 VanDerWaalsContact C-CD2 3.45Å; M22-H349 PolarHBondContact O-CD2 3.04Å; M22-H349 PolarHBondContact O-N 3.33Å; M22-L352 HydrophobicContact CB-CD1 3.66Å; M22-L352 HydrophobicContact CG-CD1 3.78Å; M22-L352 HydrophobicContact SD-CD1 4.49Å
23M70.9Confident69.2Low9 Ų976.3 Ų76.34%0.04441%0.41CS..BIsolated β-bridgetrans-114.9142.3-174.2-66.9-172.3-70.500112.7I18 W20 Q21 M25 F28 K344 S347 V348I18-M23 HydrophobicContact CG2-CE 4.17Å; I18-M23 HydrophobicContact CG2-CG 3.56Å; I18-M23 HydrophobicContact CG2-SD 3.7Å; W20-M23 HydrophobicContact CD2-CE 4.16Å; W20-M23 HydrophobicContact CE3-CE 3.83Å; W20-M23 HydrophobicContact CZ3-CE 4.33Å; W20-M23 PolarHBondContact O-N 2.76Å; Q21-M23 VanDerWaalsContact C-N 3.28Å; M23-M25 PolarHBondContact O-N 3.33Å; M23-M25 VanDerWaalsContact O-N 3.08Å; M23-F28 HydrophobicContact CE-CD2 4.5Å; M23-F28 HydrophobicContact SD-CD2 3.96Å; M23-F28 HydrophobicContact SD-CE2 4.32Å; M23-K344 HydrophobicContact CE-CG 4.45Å; M23-K344 HydrophobicContact SD-CB 4Å; M23-K344 HydrophobicContact SD-CG 3.84Å; M23-S347 WeakPolarHBondContact CA-O 3.18Å; M23-V348 HydrophobicContact CG-CG2 4.47Å
24N79.9Confident71.9Confident63 Ų6376.9 Ų76.934%0.33740%0.399SS..  trans-71.2104.8168.8-176.4-48.4000109.9P26 K27 F28 S347N24-P26 VanDerWaalsContact OD1-CD 3.23Å; N24-P26 WeakPolarHBondContact OD1-CD 3.47Å; N24-K27 HydrophobicContact CB-CB 4.05Å; N24-K27 PolarHBondContact O-N 3.15Å; N24-K27 WeakPolarHBondContact OD1-CB 3.48Å; N24-K27 PolarHBondContact OD1-N 3.13Å; N24-K27 VanDerWaalsContact OD1-N 3.12Å; N24-F28 WeakPolarHBondContact O-CB 3.27Å; N24-F28 PolarHBondContact O-N 2.87Å; N24-S347 PolarHBondContact N-O 2.99Å
25M80Confident74.3Confident78 Ų7870.5 Ų70.538%0.38437%0.366SS..Hα-helixtrans-59.5-49.1-174.2-172.769.671.100113.7W20 M23 K27 F28 L29W20-M25 HydrophobicContact CB-CE 4.46Å; W20-M25 HydrophobicContact CD2-CE 4.4Å; W20-M25 HydrophobicContact CE3-CE 3.61Å; W20-M25 HydrophobicContact CE3-SD 4.04Å; W20-M25 HydrophobicContact CZ3-CE 4.21Å; W20-M25 HydrophobicContact CZ3-SD 4.06Å; M23-M25 PolarHBondContact O-N 3.33Å; M23-M25 VanDerWaalsContact O-N 3.08Å; M25-K27 VanDerWaalsContact C-N 3.33Å; M25-K27 PolarHBondContact O-N 3.06Å; M25-F28 PolarHBondContact O-N 3.25Å; M25-L29 HydrophobicContact CG-CD1 3.9Å; M25-L29 HydrophobicContact CG-CG 4.22Å; M25-L29 WeakPolarHBondContact O-CB 3.34Å; M25-L29 VanDerWaalsContact O-CG 3.28Å; M25-L29 WeakPolarHBondContact O-CG 3.41Å; M25-L29 PolarHBondContact O-N 3.07Å; M25-L29 HydrophobicContact SD-CD1 4.31Å; M25-L29 HydrophobicContact SD-CD2 4.47Å; M25-L29 HydrophobicContact SD-CG 4.15Å
26P83.4Confident76.8Confident101 Ų10165.2 Ų65.266%0.65634%0.344SS*.Hα-helixtrans-56.7-43.6175.5-26.832.4000113.8N24 L29 G30N24-P26 VanDerWaalsContact OD1-CD 3.23Å; N24-P26 WeakPolarHBondContact OD1-CD 3.47Å; P26-L29 PolarHBondContact O-N 2.93Å; P26-G30 PolarHBondContact O-N 3.47Å
27K85.3Confident79Confident98 Ų9862.8 Ų62.843%0.42633%0.334SS..Hα-helixtrans-64.7-45178.3-172.7-178.6-178.1-171.60111.1N24 M25 G30 L31 L346N24-K27 HydrophobicContact CB-CB 4.05Å; N24-K27 PolarHBondContact O-N 3.15Å; N24-K27 WeakPolarHBondContact OD1-CB 3.48Å; N24-K27 PolarHBondContact OD1-N 3.13Å; N24-K27 VanDerWaalsContact OD1-N 3.12Å; M25-K27 VanDerWaalsContact C-N 3.33Å; M25-K27 PolarHBondContact O-N 3.06Å; K27-G30 PolarHBondContact O-N 3.06Å; K27-L31 HydrophobicContact CG-CD1 4.02Å; K27-L31 WeakPolarHBondContact O-CB 3.3Å; K27-L31 WeakPolarHBondContact O-CG 3.37Å; K27-L31 PolarHBondContact O-N 3.41Å; K27-L346 WeakPolarHBondContact CE-O 3.48Å; K27-L346 PolarHBondContact NZ-O 3.33Å
28F84.8Confident80.7Confident2 Ų264.1 Ų64.11%0.00934%0.338CS..Hα-helixtrans-60.1-48.7176.9178.1-92.1000111.6W20 M23 N24 M25 G30 L31 N32 Y340 I343 K344 S347W20-F28 HydrophobicContact CH2-CD1 4.27Å; W20-F28 AromaticContact CH2-CE1 3.52Å; W20-F28 HydrophobicContact CH2-CE1 3.52Å; W20-F28 AromaticContact CH2-CZ 3.91Å; W20-F28 HydrophobicContact CH2-CZ 3.91Å; W20-F28 AromaticContact CZ3-CD1 3.61Å; W20-F28 HydrophobicContact CZ3-CD1 3.61Å; W20-F28 AromaticContact CZ3-CE1 3.33Å; W20-F28 HydrophobicContact CZ3-CE1 3.33Å; W20-F28 HydrophobicContact CZ3-CG 4.42Å; W20-F28 AromaticContact CZ3-CZ 3.94Å; W20-F28 HydrophobicContact CZ3-CZ 3.94Å; M23-F28 HydrophobicContact CE-CD2 4.5Å; M23-F28 HydrophobicContact SD-CD2 3.96Å; M23-F28 HydrophobicContact SD-CE2 4.32Å; N24-F28 WeakPolarHBondContact O-CB 3.27Å; N24-F28 PolarHBondContact O-N 2.87Å; M25-F28 PolarHBondContact O-N 3.25Å; F28-G30 PolarHBondContact O-N 3.46Å; F28-L31 PolarHBondContact O-N 2.88Å; F28-N32 HydrophobicContact CE1-CB 4.35Å; F28-N32 WeakPolarHBondContact O-CB 3.46Å; F28-N32 PolarHBondContact O-N 2.92Å; F28-Y340 HydrophobicContact CE2-CE2 4.23Å; F28-Y340 HydrophobicContact CZ-CD2 4.21Å; F28-Y340 AromaticContact CZ-CE2 3.71Å; F28-Y340 HydrophobicContact CZ-CE2 3.71Å; F28-I343 HydrophobicContact CD2-CG2 3.75Å; F28-I343 HydrophobicContact CE2-CG2 3.87Å; F28-K344 HydrophobicContact CE2-CG 3.99Å; F28-S347 WeakPolarHBondContact CA-OG 3.34Å
29L84.7Confident82.5Confident75 Ų7563.8 Ų63.839%0.39334%0.336SS..Hα-helixtrans-62.6-42.6179-70.3175.3000112.2M25 P26 T33M25-L29 HydrophobicContact CG-CD1 3.9Å; M25-L29 HydrophobicContact CG-CG 4.22Å; M25-L29 WeakPolarHBondContact O-CB 3.34Å; M25-L29 VanDerWaalsContact O-CG 3.28Å; M25-L29 WeakPolarHBondContact O-CG 3.41Å; M25-L29 PolarHBondContact O-N 3.07Å; M25-L29 HydrophobicContact SD-CD1 4.31Å; M25-L29 HydrophobicContact SD-CD2 4.47Å; M25-L29 HydrophobicContact SD-CG 4.15Å; P26-L29 PolarHBondContact O-N 2.93Å; L29-T33 WeakPolarHBondContact O-CB 3.3Å; L29-T33 PolarHBondContact O-N 3.49Å; L29-T33 PolarHBondContact O-OG1 3.27Å
30G87.7Confident83.9Confident38 Ų3861.7 Ų61.739%0.39232%0.324SS..Hα-helixtrans-61.8-52.2176.300000112.3P26 K27 F28 N32 T33 V34P26-G30 PolarHBondContact O-N 3.47Å; K27-G30 PolarHBondContact O-N 3.06Å; F28-G30 PolarHBondContact O-N 3.46Å; G30-N32 PolarHBondContact O-N 3.05Å; G30-T33 PolarHBondContact O-N 2.86Å; G30-V34 WeakPolarHBondContact O-CG2 3.44Å; G30-V34 PolarHBondContact O-N 3.35Å; G30-V34 VanDerWaalsContact O-N 3.07Å
31L88Confident85.4Confident60 Ų6057.6 Ų57.631%0.31432%0.315SS..Hα-helixtrans-63.6-41.4179-70.5175.9000112.3K27 F28 T33 V34 S35 I343 L346K27-L31 HydrophobicContact CG-CD1 4.02Å; K27-L31 WeakPolarHBondContact O-CB 3.3Å; K27-L31 WeakPolarHBondContact O-CG 3.37Å; K27-L31 PolarHBondContact O-N 3.41Å; F28-L31 PolarHBondContact O-N 2.88Å; L31-T33 VanDerWaalsContact C-N 3.33Å; L31-T33 PolarHBondContact O-N 3.11Å; L31-V34 PolarHBondContact O-N 2.98Å; L31-S35 WeakPolarHBondContact O-CB 3.02Å; L31-S35 PolarHBondContact O-N 3.05Å; L31-I343 HydrophobicContact CB-CG1 4.25Å; L31-I343 HydrophobicContact CB-CG2 3.78Å; L31-I343 HydrophobicContact CD1-CG2 4.45Å; L31-L346 HydrophobicContact CD1-CB 4.17Å
32N88.2Confident86.8Confident46 Ų4656.4 Ų56.425%0.24631%0.307CS..Hα-helixtrans-65.1-37.2178-171.541.9000112.2F28 G30 S36F28-N32 HydrophobicContact CE1-CB 4.35Å; F28-N32 WeakPolarHBondContact O-CB 3.46Å; F28-N32 PolarHBondContact O-N 2.92Å; G30-N32 PolarHBondContact O-N 3.05Å; N32-S36 WeakPolarHBondContact O-CB 3.47Å; N32-S36 PolarHBondContact O-N 3.33Å; N32-S36 PolarHBondContact O-OG 3.48Å
33T89.3Confident88.2Confident62 Ų6254.7 Ų54.738%0.3830%0.299SS..Hα-helixtrans-66.4-46.2175.7-58.70000111.3L29 G30 L31 S36 L37 I92L29-T33 WeakPolarHBondContact O-CB 3.3Å; L29-T33 PolarHBondContact O-N 3.49Å; L29-T33 PolarHBondContact O-OG1 3.27Å; G30-T33 PolarHBondContact O-N 2.86Å; L31-T33 VanDerWaalsContact C-N 3.33Å; L31-T33 PolarHBondContact O-N 3.11Å; T33-S36 PolarHBondContact O-N 3.34Å; T33-L37 HydrophobicContact CG2-CD1 4.44Å; T33-L37 WeakPolarHBondContact O-CG 3.28Å; T33-L37 PolarHBondContact O-N 2.65Å; T33-I92 HydrophobicContact CG2-CG2 4.27Å
34V91.5Very high89.3Confident85 Ų8554.4 Ų54.452%0.51530%0.298SS..Hα-helixtrans-62.1-47.1177.5172.80000111G30 L31 S36 L37 L38G30-V34 WeakPolarHBondContact O-CG2 3.44Å; G30-V34 PolarHBondContact O-N 3.35Å; G30-V34 VanDerWaalsContact O-N 3.07Å; L31-V34 PolarHBondContact O-N 2.98Å; V34-S36 PolarHBondContact O-N 3.48Å; V34-L37 WeakPolarHBondContact O-CB 3.28Å; V34-L37 PolarHBondContact O-N 3.5Å; V34-L38 HydrophobicContact CG1-CD1 4.22Å; V34-L38 WeakPolarHBondContact O-CG 3.43Å; V34-L38 PolarHBondContact O-N 2.9Å
35S90.8Very high90Very high11 Ų1152.2 Ų52.28%0.07729%0.287CS..Hα-helixtrans-59.9-46.2175.5165.20000112.3L31 L37 L38 I39 T339 I343L31-S35 WeakPolarHBondContact O-CB 3.02Å; L31-S35 PolarHBondContact O-N 3.05Å; S35-L37 VanDerWaalsContact C-N 3.25Å; S35-L37 PolarHBondContact O-N 3.2Å; S35-L38 PolarHBondContact O-N 3.22Å; S35-I39 VanDerWaalsContact O-CG1 3.31Å; S35-I39 WeakPolarHBondContact O-CG1 3.45Å; S35-I39 PolarHBondContact O-N 2.92Å; S35-T339 WeakPolarHBondContact OG-CG2 3.37Å; S35-I343 VanDerWaalsContact CB-CD1 3.42Å
36S90.9Very high90.6Very high11 Ų1149.9 Ų49.98%0.07728%0.275CS..Hα-helixtrans-58.7-38.2177.3-66.30000111.9N32 T33 V34 R40N32-S36 WeakPolarHBondContact O-CB 3.47Å; N32-S36 PolarHBondContact O-N 3.33Å; N32-S36 PolarHBondContact O-OG 3.48Å; T33-S36 PolarHBondContact O-N 3.34Å; V34-S36 PolarHBondContact O-N 3.48Å; S36-R40 VanDerWaalsContact O-CB 3.27Å; S36-R40 WeakPolarHBondContact O-CB 3.31Å; S36-R40 VanDerWaalsContact O-CG 3.26Å; S36-R40 WeakPolarHBondContact O-CG 3.41Å; S36-R40 PolarHBondContact O-N 3.09Å
37L93.2Very high91.1Very high56 Ų5646.7 Ų46.729%0.29325%0.254SS..Hα-helixtrans-67.1-40.3174.2-76168.7000112.5T33 V34 S35 S41 I92T33-L37 HydrophobicContact CG2-CD1 4.44Å; T33-L37 WeakPolarHBondContact O-CG 3.28Å; T33-L37 PolarHBondContact O-N 2.65Å; V34-L37 WeakPolarHBondContact O-CB 3.28Å; V34-L37 PolarHBondContact O-N 3.5Å; S35-L37 VanDerWaalsContact C-N 3.25Å; S35-L37 PolarHBondContact O-N 3.2Å; L37-S41 WeakPolarHBondContact O-CB 3.37Å; L37-S41 PolarHBondContact O-N 3.09Å; L37-S41 PolarHBondContact O-OG 3.35Å; L37-I92 HydrophobicContact CB-CD1 4.39Å; L37-I92 HydrophobicContact CD2-CD1 3.38Å; L37-I92 HydrophobicContact CG-CD1 3.55Å
38L94Very high91.5Very high117 Ų11742 Ų4261%0.61323%0.234SC*.Hα-helixtrans-66.1-48.6177.2-69.8173.1000111.8V34 S35 R40 S41 F42V34-L38 HydrophobicContact CG1-CD1 4.22Å; V34-L38 WeakPolarHBondContact O-CG 3.43Å; V34-L38 PolarHBondContact O-N 2.9Å; S35-L38 PolarHBondContact O-N 3.22Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 2.71Å; L38-S41 WeakPolarHBondContact O-CB 3.38Å; L38-S41 PolarHBondContact O-N 3.11Å; L38-S41 VanDerWaalsContact O-N 3.16Å; L38-F42 PolarHBondContact O-N 2.84Å
39I94Very high91.8Very high9 Ų942 Ų425%0.04623%0.233CC..Hα-helixtrans-59.1-47.2176.7-63.6171.6000109.7S35 S41 F42 V43 F335 F336S35-I39 VanDerWaalsContact O-CG1 3.31Å; S35-I39 WeakPolarHBondContact O-CG1 3.45Å; S35-I39 PolarHBondContact O-N 2.92Å; I39-S41 PolarHBondContact O-N 3.37Å; I39-F42 PolarHBondContact O-N 3.03Å; I39-V43 HydrophobicContact CG2-CG2 4.42Å; I39-V43 WeakPolarHBondContact O-CG2 3.18Å; I39-V43 PolarHBondContact O-N 3.14Å; I39-F335 HydrophobicContact CD1-CB 3.8Å; I39-F335 HydrophobicContact CG1-CB 3.8Å; I39-F335 HydrophobicContact CG2-CB 4.06Å; I39-F336 HydrophobicContact CD1-CD1 4.19Å; I39-F336 HydrophobicContact CD1-CE1 4.39Å; I39-F336 HydrophobicContact CD1-CG 4.5Å; I39-F336 HydrophobicContact CG2-CE2 4.27Å; I39-F336 HydrophobicContact CG2-CZ 4.45Å
40R92.4Very high92.2Very high51 Ų5139.3 Ų39.319%0.19222%0.219CC..Hα-helixtrans-59.8-46.3175.6-79.4-170.1-174.8-134.23.3111.2S36 L38 F42 V43 Y44 F85 N88S36-R40 VanDerWaalsContact O-CB 3.27Å; S36-R40 WeakPolarHBondContact O-CB 3.31Å; S36-R40 VanDerWaalsContact O-CG 3.26Å; S36-R40 WeakPolarHBondContact O-CG 3.41Å; S36-R40 PolarHBondContact O-N 3.09Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 2.71Å; R40-F42 PolarHBondContact O-N 3.13Å; R40-V43 PolarHBondContact O-N 3.4Å; R40-Y44 WeakPolarHBondContact O-CA 3.33Å; R40-Y44 WeakPolarHBondContact O-CB 3.37Å; R40-Y44 PolarHBondContact O-N 2.86Å; R40-F85 HydrophobicContact CB-CE2 4.11Å; R40-N88 PolarHBondContact NH1-O 3.41Å; R40-N88 PolarHBondContact NH1-OD1 3.43Å
41S94.2Very high92.4Very high40 Ų4037.8 Ų37.828%0.2820%0.202SC..Hα-helixtrans-56.6-41.4179.1-59.40000111.4L37 L38 I39 Y82 F85L37-S41 WeakPolarHBondContact O-CB 3.37Å; L37-S41 PolarHBondContact O-N 3.09Å; L37-S41 PolarHBondContact O-OG 3.35Å; L38-S41 WeakPolarHBondContact O-CB 3.38Å; L38-S41 PolarHBondContact O-N 3.11Å; L38-S41 VanDerWaalsContact O-N 3.16Å; I39-S41 PolarHBondContact O-N 3.37Å; S41-Y82 VanDerWaalsContact O-CE1 3.32Å; S41-Y82 WeakPolarHBondContact O-CE1 3.38Å; S41-Y82 PolarHBondContact O-OH 3.26Å; S41-F85 WeakPolarHBondContact OG-CZ 3.41Å
42F94.5Very high92.5Very high130 Ų13035.3 Ų35.357%0.5719%0.188SC*.Hα-helixtrans-68.4-42.2177.7-173.2-106.3000113.2L38 I39 R40 I331 F335L38-F42 PolarHBondContact O-N 2.84Å; I39-F42 PolarHBondContact O-N 3.03Å; R40-F42 PolarHBondContact O-N 3.13Å; F42-I331 HydrophobicContact CD1-CG2 3.92Å; F42-I331 HydrophobicContact CE1-CG2 3.75Å; F42-F335 HydrophobicContact CD1-CD2 4.38Å; F42-F335 AromaticContact CD1-CE2 3.75Å; F42-F335 HydrophobicContact CD1-CE2 3.75Å; F42-F335 AromaticContact CE1-CE2 3.7Å; F42-F335 HydrophobicContact CE1-CE2 3.7Å; F42-F335 HydrophobicContact CE1-CZ 4.33Å
43V93.9Very high92.6Very high7 Ų733.6 Ų33.64%0.04218%0.179CC..Hα-helixtrans-85.8-23-175.5179.40000113.1I39 R40 P45 M46 T47 I331 S332I39-V43 HydrophobicContact CG2-CG2 4.42Å; I39-V43 WeakPolarHBondContact O-CG2 3.18Å; I39-V43 PolarHBondContact O-N 3.14Å; R40-V43 PolarHBondContact O-N 3.4Å; V43-P45 VanDerWaalsContact C-CD 3.42Å; V43-M46 WeakPolarHBondContact O-CA 3.46Å; V43-M46 VanDerWaalsContact O-CB 3.3Å; V43-M46 WeakPolarHBondContact O-CB 3.32Å; V43-M46 PolarHBondContact O-N 3.12Å; V43-T47 PolarHBondContact O-N 2.86Å; V43-I331 HydrophobicContact CG2-CB 4.43Å; V43-I331 HydrophobicContact CG2-CG2 3.75Å; V43-S332 WeakPolarHBondContact CG1-OG 3.41Å
44Y94.6Very high92.7Very high3 Ų330.7 Ų30.71%0.01216%0.161CC..Hα-helixtrans-54.5-39.5-171.1-161.7-100000114.9R40 M46 T47 V48 L81 Y82 R83 G84 F85 N88 M147R40-Y44 WeakPolarHBondContact O-CA 3.33Å; R40-Y44 WeakPolarHBondContact O-CB 3.37Å; R40-Y44 PolarHBondContact O-N 2.86Å; Y44-M46 PolarHBondContact O-N 2.86Å; Y44-T47 WeakPolarHBondContact O-CA 3.12Å; Y44-T47 VanDerWaalsContact O-CB 3.31Å; Y44-T47 WeakPolarHBondContact O-CB 3.31Å; Y44-T47 PolarHBondContact O-N 3.36Å; Y44-V48 HydrophobicContact CD1-CG2 3.75Å; Y44-V48 HydrophobicContact CE1-CG2 3.41Å; Y44-V48 VanDerWaalsContact CE1-CG2 3.41Å; Y44-V48 PolarHBondContact O-N 3.41Å; Y44-L81 VanDerWaalsContact CD1-O 3.31Å; Y44-L81 WeakPolarHBondContact CD1-O 3.45Å; Y44-Y82 HydrophobicContact CD1-CD1 4.37Å; Y44-R83 PolarHBondContact OH-O 3.38Å; Y44-G84 WeakPolarHBondContact OH-CA 3.35Å; Y44-G84 PolarHBondContact OH-O 3.42Å; Y44-G84 VanDerWaalsContact OH-O 3.12Å; Y44-F85 HydrophobicContact CD1-CB 4.09Å; Y44-F85 HydrophobicContact CD1-CD2 4.12Å; Y44-F85 AromaticContact CD2-CD2 3.84Å; Y44-F85 HydrophobicContact CD2-CD2 3.84Å; Y44-F85 HydrophobicContact CE1-CB 3.86Å; Y44-F85 HydrophobicContact CE2-CB 4.45Å; Y44-F85 HydrophobicContact CE2-CD2 4.33Å; Y44-F85 HydrophobicContact CG-CB 4.47Å; Y44-F85 AromaticContact CG-CD2 3.72Å; Y44-F85 HydrophobicContact CG-CD2 3.72Å; Y44-F85 VanDerWaalsContact CZ-CA 3.41Å; Y44-F85 PolarHBondContact OH-N 2.81Å; Y44-N88 HydrophobicContact CE2-CB 3.8Å; Y44-M147 HydrophobicContact CE2-CE 3.68Å; Y44-M147 WeakPolarHBondContact OH-CE 3.15Å
45P95Very high92.5Very high16 Ų1626.7 Ų26.710%0.10414%0.137CC..Hα-helixtrans-52.1-40.6173.2-30.438.3000113.2V43 V48 I49 L81 Y82V43-P45 VanDerWaalsContact C-CD 3.42Å; P45-V48 PolarHBondContact O-N 3.01Å; P45-I49 WeakPolarHBondContact O-CD1 3.46Å; P45-I49 WeakPolarHBondContact O-CG1 3.34Å; P45-I49 PolarHBondContact O-N 3.45Å; P45-L81 HydrophobicContact CB-CB 4.02Å; P45-L81 HydrophobicContact CB-CD1 4.31Å; P45-L81 HydrophobicContact CB-CD2 4.49Å; P45-L81 HydrophobicContact CG-CB 4.36Å; P45-Y82 HydrophobicContact CG-CE1 4.2Å; P45-Y82 HydrophobicContact CG-CE2 4.01Å
46M93.1Very high92.2Very high30 Ų3027 Ų2715%0.14814%0.138CC..Hα-helixtrans-68.3-37.8177.6-62.6-58.3-65.300111.8V43 Y44 I49 K50 T65 T324 L327V43-M46 WeakPolarHBondContact O-CA 3.46Å; V43-M46 VanDerWaalsContact O-CB 3.3Å; V43-M46 WeakPolarHBondContact O-CB 3.32Å; V43-M46 PolarHBondContact O-N 3.12Å; Y44-M46 PolarHBondContact O-N 2.86Å; M46-I49 PolarHBondContact O-N 2.68Å; M46-I49 HydrophobicContact SD-CD1 4.03Å; M46-K50 VanDerWaalsContact O-CB 3.26Å; M46-K50 WeakPolarHBondContact O-CB 3.38Å; M46-K50 PolarHBondContact O-N 3.03Å; M46-T65 HydrophobicContact CE-CG2 3.82Å; M46-T324 HydrophobicContact CE-CG2 3.65Å; M46-T324 VanDerWaalsContact O-CG2 3.26Å; M46-T324 WeakPolarHBondContact O-CG2 3.39Å; M46-L327 HydrophobicContact CE-CB 3.99Å; M46-L327 HydrophobicContact CE-CD2 3.45Å; M46-L327 VanDerWaalsContact CE-CD2 3.45Å; M46-L327 HydrophobicContact CE-CG 3.83Å
47T93.4Very high91.1Very high34 Ų3429.5 Ų29.521%0.20916%0.155CC..Hα-helixtrans-60.6-45.3173.3-56.80000111.5V43 Y44 K50 T51 M147V43-T47 PolarHBondContact O-N 2.86Å; Y44-T47 WeakPolarHBondContact O-CA 3.12Å; Y44-T47 VanDerWaalsContact O-CB 3.31Å; Y44-T47 WeakPolarHBondContact O-CB 3.31Å; Y44-T47 PolarHBondContact O-N 3.36Å; T47-K50 WeakPolarHBondContact O-CB 3.44Å; T47-K50 PolarHBondContact O-N 3.07Å; T47-T51 PolarHBondContact O-N 3Å; T47-T51 PolarHBondContact O-OG1 3.41Å; T47-M147 HydrophobicContact CG2-CE 3.86Å; T47-M147 HydrophobicContact CG2-SD 4.37Å
48V93.2Very high89.4Confident0 Ų030.5 Ų30.50%016%0.158CC..Hα-helixtrans-63.3-46.8178.2175.70000111.5Y44 P45 K50 T51 R52 L81 M147Y44-V48 HydrophobicContact CD1-CG2 3.75Å; Y44-V48 HydrophobicContact CE1-CG2 3.41Å; Y44-V48 VanDerWaalsContact CE1-CG2 3.41Å; Y44-V48 PolarHBondContact O-N 3.41Å; P45-V48 PolarHBondContact O-N 3.01Å; V48-K50 VanDerWaalsContact C-N 3.3Å; V48-K50 PolarHBondContact O-N 3.12Å; V48-T51 PolarHBondContact O-N 3.44Å; V48-R52 HydrophobicContact CG1-CG 4.47Å; V48-R52 WeakPolarHBondContact O-CB 3.42Å; V48-R52 WeakPolarHBondContact O-CG 3.45Å; V48-R52 PolarHBondContact O-N 3.49Å; V48-L81 WeakPolarHBondContact CG2-O 3.12Å; V48-M147 HydrophobicContact CG1-CB 4.46Å; V48-M147 HydrophobicContact CG2-CG 4.07Å
49I91.9Very high87.6Confident0 Ų031.4 Ų31.40%016%0.163CC..Hα-helixtrans-60.7-43.2177.7-62.2155.5000110.3P45 M46 R52 I53 T65 F69 I72 L81 T324P45-I49 WeakPolarHBondContact O-CD1 3.46Å; P45-I49 WeakPolarHBondContact O-CG1 3.34Å; P45-I49 PolarHBondContact O-N 3.45Å; M46-I49 PolarHBondContact O-N 2.68Å; M46-I49 HydrophobicContact SD-CD1 4.03Å; I49-R52 PolarHBondContact O-N 3.23Å; I49-I53 HydrophobicContact CG2-CD1 3.65Å; I49-I53 HydrophobicContact CG2-CG1 4.29Å; I49-I53 WeakPolarHBondContact O-CB 3.28Å; I49-I53 VanDerWaalsContact O-CG1 3.23Å; I49-I53 WeakPolarHBondContact O-CG1 3.28Å; I49-I53 PolarHBondContact O-N 3.1Å; I49-T65 HydrophobicContact CG2-CG2 4.44Å; I49-F69 HydrophobicContact CD1-CB 4.09Å; I49-F69 HydrophobicContact CD1-CD2 3.42Å; I49-F69 VanDerWaalsContact CD1-CD2 3.42Å; I49-F69 HydrophobicContact CD1-CE2 4.23Å; I49-F69 HydrophobicContact CD1-CG 4.2Å; I49-F69 HydrophobicContact CG1-CD2 4.45Å; I49-I72 HydrophobicContact CG1-CD1 4.01Å; I49-L81 HydrophobicContact CD1-CD2 4.16Å; I49-L81 HydrophobicContact CG1-CD2 3.84Å; I49-T324 HydrophobicContact CB-CG2 4.07Å; I49-T324 HydrophobicContact CG2-CG2 3.96Å
50K92.6Very high85.8Confident20 Ų2032 Ų329%0.08717%0.171CC..Hα-helixtrans-59.4-53.7179.1-174.8-161.165.7156.70110M46 T47 V48 R52 I53 Q54 D270 T324 R325M46-K50 VanDerWaalsContact O-CB 3.26Å; M46-K50 WeakPolarHBondContact O-CB 3.38Å; M46-K50 PolarHBondContact O-N 3.03Å; T47-K50 WeakPolarHBondContact O-CB 3.44Å; T47-K50 PolarHBondContact O-N 3.07Å; V48-K50 VanDerWaalsContact C-N 3.3Å; V48-K50 PolarHBondContact O-N 3.12Å; K50-R52 VanDerWaalsContact C-N 3.32Å; K50-R52 PolarHBondContact O-N 3.1Å; K50-I53 PolarHBondContact O-N 3.38Å; K50-Q54 HydrophobicContact CG-CG 4.32Å; K50-Q54 WeakPolarHBondContact O-CB 3.45Å; K50-Q54 VanDerWaalsContact O-CG 3.31Å; K50-Q54 WeakPolarHBondContact O-CG 3.24Å; K50-Q54 PolarHBondContact O-N 2.93Å; K50-D270 IonicContact NZ-OD1 3.61Å; K50-D270 IonicContact NZ-OD2 3.75Å; K50-D270 PolarHBondContact NZ-OD2 3.46Å; K50-T324 HydrophobicContact CB-CG2 3.71Å; K50-R325 HydrophobicContact CD-CB 3.79Å; K50-R325 HydrophobicContact CD-CG 4.07Å; K50-R325 HydrophobicContact CG-CB 4.28Å
51T92.2Very high84.3Confident5 Ų531.4 Ų31.43%0.03117%0.169CC..Hα-helixtrans-57.5-46.4179.8-570000110.7T47 V48 I53 Q54 V55 Q144 M147 V148T47-T51 PolarHBondContact O-N 3Å; T47-T51 PolarHBondContact O-OG1 3.41Å; V48-T51 PolarHBondContact O-N 3.44Å; T51-I53 PolarHBondContact O-N 3.28Å; T51-Q54 PolarHBondContact O-N 3.26Å; T51-V55 WeakPolarHBondContact O-CG2 3.3Å; T51-V55 PolarHBondContact O-N 3.22Å; T51-Q144 HydrophobicContact CG2-CB 4.45Å; T51-Q144 HydrophobicContact CG2-CG 4.24Å; T51-M147 HydrophobicContact CG2-CB 4.31Å; T51-M147 HydrophobicContact CG2-SD 4.11Å; T51-M147 PolarHBondContact OG1-SD 2.87Å; T51-V148 HydrophobicContact CG2-CG2 3.9Å
52R90.2Very high82.8Confident8 Ų830.4 Ų30.43%0.0316%0.16CC..Hα-helixtrans-60.2-44.9177.5-73.1179.5-174.2-158.94.5112.8V48 I49 K50 D56 Y62 E76 S80 M147V48-R52 HydrophobicContact CG1-CG 4.47Å; V48-R52 WeakPolarHBondContact O-CB 3.42Å; V48-R52 WeakPolarHBondContact O-CG 3.45Å; V48-R52 PolarHBondContact O-N 3.49Å; I49-R52 PolarHBondContact O-N 3.23Å; K50-R52 VanDerWaalsContact C-N 3.32Å; K50-R52 PolarHBondContact O-N 3.1Å; R52-D56 VanDerWaalsContact O-CB 3.28Å; R52-D56 WeakPolarHBondContact O-CB 3.41Å; R52-D56 PolarHBondContact O-N 3.16Å; R52-Y62 HydrophobicContact CB-CE2 4.32Å; R52-E76 IonicContact CZ-OE2 3.99Å; R52-E76 VanDerWaalsContact NH1-CD 3.26Å; R52-E76 IonicContact NH1-OE1 3.95Å; R52-E76 PolarHBondContact NH1-OE1 3.47Å; R52-E76 IonicContact NH1-OE2 3.19Å; R52-E76 PolarHBondContact NH1-OE2 3.36Å; R52-E76 IonicContact NH2-OE2 3.11Å; R52-E76 PolarHBondContact NH2-OE2 3.03Å; R52-S80 PolarHBondContact NH2-O 3.31Å; R52-S80 PolarHBondContact NH2-OG 2.77Å; R52-M147 PolarHBondContact NE-O 3.49Å; R52-M147 PolarHBondContact NH2-O 3.44Å; R52-M147 VanDerWaalsContact NH2-O 3.1Å
53I90Very high81.4Confident10 Ų1036.1 Ų36.15%0.05118%0.178CC..Hα-helixtrans-63.8-44.5176.6-67170.7000110.3I49 K50 T51 V55 Y62 K320I49-I53 HydrophobicContact CG2-CD1 3.65Å; I49-I53 HydrophobicContact CG2-CG1 4.29Å; I49-I53 WeakPolarHBondContact O-CB 3.28Å; I49-I53 VanDerWaalsContact O-CG1 3.23Å; I49-I53 WeakPolarHBondContact O-CG1 3.28Å; I49-I53 PolarHBondContact O-N 3.1Å; K50-I53 PolarHBondContact O-N 3.38Å; T51-I53 PolarHBondContact O-N 3.28Å; I53-V55 VanDerWaalsContact C-N 3.34Å; I53-V55 PolarHBondContact O-N 3.36Å; I53-Y62 HydrophobicContact CG1-CG 4.21Å; I53-K320 HydrophobicContact CG2-CG 4.03Å; I53-K320 WeakPolarHBondContact O-CE 3.42Å
54Q91Very high80.5Confident1 Ų137.1 Ų37.11%0.00519%0.189CC..Hα-helixtrans-64.4-37.4-176.3-78.5178.4-32.300112.6K50 T51 N267 D270 L271 A274 N275K50-Q54 HydrophobicContact CG-CG 4.32Å; K50-Q54 WeakPolarHBondContact O-CB 3.45Å; K50-Q54 VanDerWaalsContact O-CG 3.31Å; K50-Q54 WeakPolarHBondContact O-CG 3.24Å; K50-Q54 PolarHBondContact O-N 2.93Å; T51-Q54 PolarHBondContact O-N 3.26Å; Q54-N267 PolarHBondContact NE2-OD1 3.5Å; Q54-D270 PolarHBondContact NE2-OD2 2.98Å; Q54-D270 PolarHBondContact OE1-OD2 3.19Å; Q54-L271 HydrophobicContact CB-CD1 3.66Å; Q54-L271 HydrophobicContact CG-CD1 3.7Å; Q54-L271 VanDerWaalsContact O-CD1 3.27Å; Q54-L271 WeakPolarHBondContact O-CD1 3.38Å; Q54-A274 HydrophobicContact CB-CB 4.41Å; Q54-N275 PolarHBondContact O-ND2 3.06Å
55V88.3Confident80Confident2 Ų237.8 Ų37.81%0.01219%0.194CC..Hα-helixtrans-94.7-13.6-177.9-58.70000114.5T51 I53 V148 L173 A274 V278 N279T51-V55 WeakPolarHBondContact O-CG2 3.3Å; T51-V55 PolarHBondContact O-N 3.22Å; I53-V55 VanDerWaalsContact C-N 3.34Å; I53-V55 PolarHBondContact O-N 3.36Å; V55-V148 HydrophobicContact CB-CG2 4.5Å; V55-V148 HydrophobicContact CG2-CB 4.28Å; V55-V148 HydrophobicContact CG2-CG1 3.9Å; V55-V148 HydrophobicContact CG2-CG2 3.31Å; V55-L173 HydrophobicContact CB-CD2 4.02Å; V55-L173 HydrophobicContact CG2-CD2 3.81Å; V55-L173 VanDerWaalsContact O-CD2 3.31Å; V55-L173 WeakPolarHBondContact O-CD2 3.11Å; V55-A274 HydrophobicContact CG1-CB 3.94Å; V55-V278 HydrophobicContact CB-CB 4.43Å; V55-V278 HydrophobicContact CB-CG1 4.37Å; V55-V278 HydrophobicContact CG1-CB 3.94Å; V55-V278 HydrophobicContact CG1-CG1 4.37Å; V55-V278 HydrophobicContact CG1-CG2 4.02Å; V55-V278 HydrophobicContact CG2-CG1 4.45Å; V55-N279 PolarHBondContact O-ND2 3.47Å
56D84.7Confident79.5Confident17 Ų1743 Ų439%0.09122%0.22CC..SBendtrans-55.9156.3176.7-163.515.3000110.7R52 G60 K61 Y62 K320R52-D56 VanDerWaalsContact O-CB 3.28Å; R52-D56 WeakPolarHBondContact O-CB 3.41Å; R52-D56 PolarHBondContact O-N 3.16Å; D56-G60 VanDerWaalsContact CG-CA 3.48Å; D56-G60 VanDerWaalsContact OD2-C 3.25Å; D56-G60 WeakPolarHBondContact OD2-CA 3.37Å; D56-K61 PolarHBondContact OD2-N 3.34Å; D56-Y62 HydrophobicContact CB-CD2 4.1Å; D56-Y62 WeakPolarHBondContact OD2-CD2 3.15Å; D56-Y62 PolarHBondContact OD2-N 2.88Å; D56-K320 PolarHBondContact O-NZ 3.09Å
57S67.6Low79Confident64 Ų6444.5 Ų44.545%0.44823%0.233SC..  trans-70.4170.4-179.3-171.20000112.5N59 G60S57-N59 PolarHBondContact O-N 2.92Å; S57-G60 WeakPolarHBondContact O-CA 3.25Å; S57-G60 PolarHBondContact O-N 2.98Å
58F57.5Low78.5Confident77 Ų7742.9 Ų42.934%0.33822%0.223SC..THydrogen-bonded Turntrans-62.1-39.5179.5174.3-103.2000113.4G60 L312 E313 R316F58-G60 PolarHBondContact O-N 3.04Å; F58-L312 HydrophobicContact CB-CB 4.28Å; F58-L312 WeakPolarHBondContact CD2-O 3.34Å; F58-L312 WeakPolarHBondContact CE2-O 3.42Å; F58-L312 WeakPolarHBondContact CG-O 3.47Å; F58-E313 VanDerWaalsContact CA-OE1 3.25Å; F58-E313 WeakPolarHBondContact CA-OE1 3.21Å; F58-E313 WeakPolarHBondContact CD2-OE2 3.45Å; F58-E313 PolarHBondContact N-OE1 2.96Å; F58-R316 PolarHBondContact O-NH1 2.91Å
59N54.6Low78.2Confident136 Ų13646.4 Ų46.473%0.72724%0.239SC*.THydrogen-bonded Turntrans-83.722.1169.1-74.9-15.2000111.8S57S57-N59 PolarHBondContact O-N 2.92Å
60G57.9Low77.9Confident20 Ų2055.3 Ų55.321%0.20627%0.273CS..  trans-57.7152.8-174.500000113.2D56 S57 F58 Y62D56-G60 VanDerWaalsContact CG-CA 3.48Å; D56-G60 VanDerWaalsContact OD2-C 3.25Å; D56-G60 WeakPolarHBondContact OD2-CA 3.37Å; S57-G60 WeakPolarHBondContact O-CA 3.25Å; S57-G60 PolarHBondContact O-N 2.98Å; F58-G60 PolarHBondContact O-N 3.04Å; G60-Y62 PolarHBondContact O-N 3.5Å
61K60.2Low77.4Confident39 Ų3957.8 Ų57.817%0.1728%0.281CS..SBendtrans-73.8-13.8-174.4-70.2166.2173.9164.50112.2D56 A168 S170 E172D56-K61 PolarHBondContact OD2-N 3.34Å; K61-A168 WeakPolarHBondContact CE-O 3.31Å; K61-A168 PolarHBondContact NZ-O 3.15Å; K61-S170 VanDerWaalsContact CE-OG 3.23Å; K61-S170 WeakPolarHBondContact CE-OG 3.37Å; K61-S170 PolarHBondContact NZ-O 3.15Å; K61-E172 IonicContact NZ-OE1 3.22Å
62Y62.2Low77Confident20 Ų2057.6 Ų57.68%0.07828%0.28CS..  trans-103.8101.6-171.1-62.6-59.6000112.6R52 I53 D56 G60 S68 I72 R150R52-Y62 HydrophobicContact CB-CE2 4.32Å; I53-Y62 HydrophobicContact CG1-CG 4.21Å; D56-Y62 HydrophobicContact CB-CD2 4.1Å; D56-Y62 WeakPolarHBondContact OD2-CD2 3.15Å; D56-Y62 PolarHBondContact OD2-N 2.88Å; G60-Y62 PolarHBondContact O-N 3.5Å; Y62-S68 WeakPolarHBondContact CB-OG 3.47Å; Y62-S68 WeakPolarHBondContact CD1-OG 3.4Å; Y62-I72 HydrophobicContact CE1-CD1 4.3Å; Y62-I72 HydrophobicContact CE1-CG1 4.16Å; Y62-I72 WeakPolarHBondContact OH-CG1 3.49Å; Y62-R150 PolarHBondContact OH-NH1 3.38Å; Y62-R150 PolarHBondContact OH-NH2 2.84Å
63R65.2Low76.7Confident250 Ų25060 Ų6094%0.94329%0.293SS*.SBendtrans-93-22.1175.7-68.6-172.3175.6-168.3-0.9114.2
64G75.7Confident76.3Confident27 Ų2764 Ų6428%0.27832%0.321SS..SBendtrans-161.8151.6-179.700000114.2L66 S67 S68G64-L66 PolarHBondContact O-N 2.83Å; G64-S67 PolarHBondContact N-OG 3.48Å; G64-S67 PolarHBondContact O-N 2.82Å; G64-S67 VanDerWaalsContact O-N 3.16Å; G64-S67 PolarHBondContact O-OG 3.41Å; G64-S68 PolarHBondContact O-N 2.95Å; G64-S68 PolarHBondContact O-OG 3.26Å
65T83.2Confident75.8Confident18 Ų1867.6 Ų67.611%0.1134%0.338CS..Hα-helixtrans-52-50.3-171.4-520000113.9M46 I49 S68 F69 S323 T324M46-T65 HydrophobicContact CE-CG2 3.82Å; I49-T65 HydrophobicContact CG2-CG2 4.44Å; T65-S68 WeakPolarHBondContact O-CB 3.2Å; T65-S68 PolarHBondContact O-N 3Å; T65-F69 WeakPolarHBondContact O-CB 3.47Å; T65-F69 PolarHBondContact O-N 3.18Å; T65-S323 PolarHBondContact OG1-OG 3.16Å; T65-T324 WeakPolarHBondContact CB-OG1 3.29Å; T65-T324 HydrophobicContact CG2-CG2 3.9Å; T65-T324 VanDerWaalsContact CG2-OG1 3.28Å; T65-T324 WeakPolarHBondContact CG2-OG1 3.36Å; T65-T324 PolarHBondContact OG1-N 2.99Å; T65-T324 PolarHBondContact OG1-OG1 2.99Å
66L84.7Confident75.5Confident124 Ų12469.1 Ų69.165%0.64935%0.345SS*.Hα-helixtrans-68.1-39-178.4-67176000112.5G64 S68 F69 R70G64-L66 PolarHBondContact O-N 2.83Å; L66-S68 VanDerWaalsContact C-N 3.33Å; L66-F69 PolarHBondContact O-N 3.42Å; L66-R70 WeakPolarHBondContact O-CG 3.47Å; L66-R70 PolarHBondContact O-N 3.42Å
67S83Confident75.4Confident62 Ų6269.7 Ų69.743%0.43436%0.355SS..Hα-helixtrans-64.6-41175.771.50000111.2G64 R71G64-S67 PolarHBondContact N-OG 3.48Å; G64-S67 PolarHBondContact O-N 2.82Å; G64-S67 VanDerWaalsContact O-N 3.16Å; G64-S67 PolarHBondContact O-OG 3.41Å; S67-R71 WeakPolarHBondContact O-CB 3.07Å; S67-R71 PolarHBondContact O-N 3.43Å
68S83.4Confident76.4Confident0 Ų072.1 Ų72.10%036%0.362CS..Hα-helixtrans-63.6-44.5175.3-53.40000111.6Y62 G64 T65 L66 R71 I72Y62-S68 WeakPolarHBondContact CB-OG 3.47Å; Y62-S68 WeakPolarHBondContact CD1-OG 3.4Å; G64-S68 PolarHBondContact O-N 2.95Å; G64-S68 PolarHBondContact O-OG 3.26Å; T65-S68 WeakPolarHBondContact O-CB 3.2Å; T65-S68 PolarHBondContact O-N 3Å; L66-S68 VanDerWaalsContact C-N 3.33Å; S68-R71 PolarHBondContact O-N 3.09Å; S68-I72 WeakPolarHBondContact O-CB 3.42Å; S68-I72 WeakPolarHBondContact O-CD1 3.34Å; S68-I72 WeakPolarHBondContact O-CG1 3.04Å; S68-I72 PolarHBondContact O-N 2.91Å
69F86.2Confident77.8Confident75 Ų7572.8 Ų72.833%0.32938%0.376SS..Hα-helixtrans-60.6-56.4178.3-178.4-111.3000112.2I49 T65 L66 R71 I72 I73 L81I49-F69 HydrophobicContact CD1-CB 4.09Å; I49-F69 HydrophobicContact CD1-CD2 3.42Å; I49-F69 VanDerWaalsContact CD1-CD2 3.42Å; I49-F69 HydrophobicContact CD1-CE2 4.23Å; I49-F69 HydrophobicContact CD1-CG 4.2Å; I49-F69 HydrophobicContact CG1-CD2 4.45Å; T65-F69 WeakPolarHBondContact O-CB 3.47Å; T65-F69 PolarHBondContact O-N 3.18Å; L66-F69 PolarHBondContact O-N 3.42Å; F69-R71 PolarHBondContact O-N 2.95Å; F69-I72 PolarHBondContact O-N 2.88Å; F69-I73 HydrophobicContact CD1-CD1 3.93Å; F69-I73 HydrophobicContact CD2-CD1 4.09Å; F69-I73 HydrophobicContact CE1-CD1 3.41Å; F69-I73 VanDerWaalsContact CE1-CD1 3.41Å; F69-I73 HydrophobicContact CE2-CD1 3.67Å; F69-I73 HydrophobicContact CE2-CG1 4.46Å; F69-I73 HydrophobicContact CG-CD1 4.28Å; F69-I73 HydrophobicContact CZ-CD1 3.31Å; F69-I73 PolarHBondContact O-N 2.95Å; F69-L81 HydrophobicContact CD2-CD1 4.14Å; F69-L81 HydrophobicContact CD2-CD2 4.46Å; F69-L81 HydrophobicContact CE2-CD1 3.61Å; F69-L81 HydrophobicContact CZ-CD1 4.46Å
70R85.4Confident79.3Confident187 Ų18766.4 Ų66.471%0.70634%0.342SS*.Hα-helixtrans-55.1-41.6178.7-72.5-178.7-177.81731111L66 S74L66-R70 WeakPolarHBondContact O-CG 3.47Å; L66-R70 PolarHBondContact O-N 3.42Å; R70-S74 WeakPolarHBondContact O-CB 3.31Å; R70-S74 PolarHBondContact O-N 3.48Å; R70-S74 PolarHBondContact O-OG 2.89Å
71R82Confident80.8Confident72 Ų7265.5 Ų65.527%0.27233%0.333SS..Hα-helixtrans-68.1-43.7178.9-175.8173-176.9143.52.7113.4S67 S68 F69 I73 S74 Q75S67-R71 WeakPolarHBondContact O-CB 3.07Å; S67-R71 PolarHBondContact O-N 3.43Å; S68-R71 PolarHBondContact O-N 3.09Å; F69-R71 PolarHBondContact O-N 2.95Å; R71-I73 VanDerWaalsContact C-N 3.31Å; R71-I73 PolarHBondContact O-N 3.34Å; R71-S74 PolarHBondContact O-N 2.78Å; R71-S74 PolarHBondContact O-OG 3.25Å; R71-S74 VanDerWaalsContact O-OG 3.11Å; R71-Q75 HydrophobicContact CG-CG 4.16Å; R71-Q75 VanDerWaalsContact O-CB 3.29Å; R71-Q75 WeakPolarHBondContact O-CB 3.25Å; R71-Q75 VanDerWaalsContact O-CG 3.3Å; R71-Q75 WeakPolarHBondContact O-CG 3.1Å; R71-Q75 PolarHBondContact O-N 3.02Å
72I83.8Confident82.4Confident0 Ų068.5 Ų68.50%034%0.343CS..Hα-helixtrans-61.6-44.9177.9-71162.6000109.5I49 Y62 S68 F69 Q75 E76 G77 L81I49-I72 HydrophobicContact CG1-CD1 4.01Å; Y62-I72 HydrophobicContact CE1-CD1 4.3Å; Y62-I72 HydrophobicContact CE1-CG1 4.16Å; Y62-I72 WeakPolarHBondContact OH-CG1 3.49Å; S68-I72 WeakPolarHBondContact O-CB 3.42Å; S68-I72 WeakPolarHBondContact O-CD1 3.34Å; S68-I72 WeakPolarHBondContact O-CG1 3.04Å; S68-I72 PolarHBondContact O-N 2.91Å; F69-I72 PolarHBondContact O-N 2.88Å; I72-Q75 PolarHBondContact O-N 3.28Å; I72-E76 WeakPolarHBondContact O-CA 3.4Å; I72-E76 WeakPolarHBondContact O-CB 3.17Å; I72-E76 PolarHBondContact O-N 3.46Å; I72-G77 PolarHBondContact O-N 2.86Å; I72-L81 HydrophobicContact CB-CD2 4.44Å; I72-L81 HydrophobicContact CG2-CD2 3.74Å; I72-L81 HydrophobicContact CG2-CG 4.14Å
73I85.1Confident83.8Confident60 Ų6070 Ų7031%0.30835%0.349SS..Hα-helixtrans-62.7-45.9177.4-68.1177.1000111F69 R71 Q75 G77 L81F69-I73 HydrophobicContact CD1-CD1 3.93Å; F69-I73 HydrophobicContact CD2-CD1 4.09Å; F69-I73 HydrophobicContact CE1-CD1 3.41Å; F69-I73 VanDerWaalsContact CE1-CD1 3.41Å; F69-I73 HydrophobicContact CE2-CD1 3.67Å; F69-I73 HydrophobicContact CE2-CG1 4.46Å; F69-I73 HydrophobicContact CG-CD1 4.28Å; F69-I73 HydrophobicContact CZ-CD1 3.31Å; F69-I73 PolarHBondContact O-N 2.95Å; R71-I73 VanDerWaalsContact C-N 3.31Å; R71-I73 PolarHBondContact O-N 3.34Å; I73-Q75 VanDerWaalsContact C-N 3.35Å; I73-Q75 PolarHBondContact O-N 3.48Å; I73-G77 VanDerWaalsContact O-CA 3.26Å; I73-G77 WeakPolarHBondContact O-CA 3.37Å; I73-G77 PolarHBondContact O-N 3.4Å; I73-G77 VanDerWaalsContact O-N 3.09Å; I73-L81 HydrophobicContact CD1-CD1 4.07Å; I73-L81 HydrophobicContact CG1-CD1 3.82Å
74S81.5Confident84.9Confident92 Ų9258.5 Ų58.564%0.64331%0.309SS*.Hα-helixtrans-70.1-29-177.373.30000113.6R70 R71R70-S74 WeakPolarHBondContact O-CB 3.31Å; R70-S74 PolarHBondContact O-N 3.48Å; R70-S74 PolarHBondContact O-OG 2.89Å; R71-S74 PolarHBondContact O-N 2.78Å; R71-S74 PolarHBondContact O-OG 3.25Å; R71-S74 VanDerWaalsContact O-OG 3.11Å
75Q79.6Confident85.8Confident78 Ų7858.1 Ų58.136%0.36430%0.299SS..Hα-helixtrans-98.4-37.6-174.9-65.2-172-34.200113.5R71 I72 I73 S153R71-Q75 HydrophobicContact CG-CG 4.16Å; R71-Q75 VanDerWaalsContact O-CB 3.29Å; R71-Q75 WeakPolarHBondContact O-CB 3.25Å; R71-Q75 VanDerWaalsContact O-CG 3.3Å; R71-Q75 WeakPolarHBondContact O-CG 3.1Å; R71-Q75 PolarHBondContact O-N 3.02Å; I72-Q75 PolarHBondContact O-N 3.28Å; I73-Q75 VanDerWaalsContact C-N 3.35Å; I73-Q75 PolarHBondContact O-N 3.48Å; Q75-S153 PolarHBondContact O-OG 3.01Å
76E81.3Confident86.2Confident34 Ų3466.2 Ų66.216%0.15933%0.328CS..Hα-helixtrans-119.3-10-170.9-57179-154.700113.1R52 I72 S80 R150R52-E76 IonicContact CZ-OE2 3.99Å; R52-E76 VanDerWaalsContact NH1-CD 3.26Å; R52-E76 IonicContact NH1-OE1 3.95Å; R52-E76 PolarHBondContact NH1-OE1 3.47Å; R52-E76 IonicContact NH1-OE2 3.19Å; R52-E76 PolarHBondContact NH1-OE2 3.36Å; R52-E76 IonicContact NH2-OE2 3.11Å; R52-E76 PolarHBondContact NH2-OE2 3.03Å; I72-E76 WeakPolarHBondContact O-CA 3.4Å; I72-E76 WeakPolarHBondContact O-CB 3.17Å; I72-E76 PolarHBondContact O-N 3.46Å; E76-S80 PolarHBondContact OE2-OG 3.1Å; E76-R150 IonicContact OE1-CZ 3.86Å; E76-R150 IonicContact OE1-NE 2.57Å; E76-R150 PolarHBondContact OE1-NE 2.94Å; E76-R150 IonicContact OE1-NH2 2.67Å; E76-R150 PolarHBondContact OE1-NH2 2.99Å
77G83.9Confident86.6Confident29 Ų2961.8 Ų61.830%0.29931%0.305SS..  trans78.6168.5-176.100000113.7I72 I73 S79 S80I72-G77 PolarHBondContact O-N 2.86Å; I73-G77 VanDerWaalsContact O-CA 3.26Å; I73-G77 WeakPolarHBondContact O-CA 3.37Å; I73-G77 PolarHBondContact O-N 3.4Å; I73-G77 VanDerWaalsContact O-N 3.09Å; G77-S79 VanDerWaalsContact C-N 3.29Å; G77-S79 PolarHBondContact O-N 3.39Å; G77-S80 WeakPolarHBondContact O-CB 3.47Å; G77-S80 PolarHBondContact O-N 2.93Å
78I87.1Confident86.9Confident115 Ų11559.7 Ų59.759%0.5929%0.289SS*.G310 helixtrans-65.7-30.2-175.7-162160.7000113.2S80 L81I78-S80 PolarHBondContact O-N 3.05Å; I78-L81 HydrophobicContact CG1-CD1 4.32Å; I78-L81 WeakPolarHBondContact O-CB 3.38Å; I78-L81 PolarHBondContact O-N 2.93Å
79S87.4Confident87.1Confident91 Ų9160.1 Ų60.164%0.63629%0.292SS*.G310 helixtrans-60-28.6177.7178.70000112.5G77 L81 Y82G77-S79 VanDerWaalsContact C-N 3.29Å; G77-S79 PolarHBondContact O-N 3.39Å; S79-L81 PolarHBondContact O-N 3.49Å; S79-Y82 PolarHBondContact O-N 3.4Å; S79-Y82 VanDerWaalsContact O-N 3.15Å
80S86.8Confident87.2Confident1 Ų162.6 Ų62.61%0.00730%0.303CS..G310 helixtrans-63.3-27.5177.9-158.50000112.9R52 E76 G77 I78 Y82 R83R52-S80 PolarHBondContact NH2-O 3.31Å; R52-S80 PolarHBondContact NH2-OG 2.77Å; E76-S80 PolarHBondContact OE2-OG 3.1Å; G77-S80 WeakPolarHBondContact O-CB 3.47Å; G77-S80 PolarHBondContact O-N 2.93Å; I78-S80 PolarHBondContact O-N 3.05Å; S80-Y82 PolarHBondContact O-N 2.97Å; S80-R83 WeakPolarHBondContact O-CB 3.4Å; S80-R83 PolarHBondContact O-N 3.2Å
81L90Very high87.1Confident2 Ų254.8 Ų54.81%0.0127%0.274CS..G310 helixtrans-73.8-10.9178.8-64.4169.9000113.8Y44 P45 V48 I49 F69 I72 I73 I78 S79Y44-L81 VanDerWaalsContact CD1-O 3.31Å; Y44-L81 WeakPolarHBondContact CD1-O 3.45Å; P45-L81 HydrophobicContact CB-CB 4.02Å; P45-L81 HydrophobicContact CB-CD1 4.31Å; P45-L81 HydrophobicContact CB-CD2 4.49Å; P45-L81 HydrophobicContact CG-CB 4.36Å; V48-L81 WeakPolarHBondContact CG2-O 3.12Å; I49-L81 HydrophobicContact CD1-CD2 4.16Å; I49-L81 HydrophobicContact CG1-CD2 3.84Å; F69-L81 HydrophobicContact CD2-CD1 4.14Å; F69-L81 HydrophobicContact CD2-CD2 4.46Å; F69-L81 HydrophobicContact CE2-CD1 3.61Å; F69-L81 HydrophobicContact CZ-CD1 4.46Å; I72-L81 HydrophobicContact CB-CD2 4.44Å; I72-L81 HydrophobicContact CG2-CD2 3.74Å; I72-L81 HydrophobicContact CG2-CG 4.14Å; I73-L81 HydrophobicContact CD1-CD1 4.07Å; I73-L81 HydrophobicContact CG1-CD1 3.82Å; I78-L81 HydrophobicContact CG1-CD1 4.32Å; I78-L81 WeakPolarHBondContact O-CB 3.38Å; I78-L81 PolarHBondContact O-N 2.93Å; S79-L81 PolarHBondContact O-N 3.49Å
82Y93.7Very high87.1Confident101 Ų10152.6 Ų52.640%0.39627%0.267SS..G310 helixtrans-111.310.1178.8-69.4-88.2000113.1S41 Y44 P45 S79 S80 G84 F85S41-Y82 VanDerWaalsContact O-CE1 3.32Å; S41-Y82 WeakPolarHBondContact O-CE1 3.38Å; S41-Y82 PolarHBondContact O-OH 3.26Å; Y44-Y82 HydrophobicContact CD1-CD1 4.37Å; P45-Y82 HydrophobicContact CG-CE1 4.2Å; P45-Y82 HydrophobicContact CG-CE2 4.01Å; S79-Y82 PolarHBondContact O-N 3.4Å; S79-Y82 VanDerWaalsContact O-N 3.15Å; S80-Y82 PolarHBondContact O-N 2.97Å; Y82-G84 PolarHBondContact O-N 3.14Å; Y82-F85 VanDerWaalsContact O-CB 3.24Å; Y82-F85 WeakPolarHBondContact O-CB 3.05Å; Y82-F85 PolarHBondContact O-N 3.25Å; Y82-F85 VanDerWaalsContact O-N 3.17Å
83R90.4Very high86.7Confident51 Ų5158.1 Ų58.119%0.19230%0.296CS..THydrogen-bonded Turntrans-65.7119.7178.3-78.8-176.6178.1-166-1.8111.2Y44 S80 I146 M147 Y149Y44-R83 PolarHBondContact OH-O 3.38Å; S80-R83 WeakPolarHBondContact O-CB 3.4Å; S80-R83 PolarHBondContact O-N 3.2Å; R83-I146 HydrophobicContact CB-CG2 3.83Å; R83-M147 WeakPolarHBondContact O-CG 3.48Å; R83-Y149 PolarHBondContact NH1-O 3.46Å
84G89.3Confident85.9Confident10 Ų1056.9 Ų56.910%0.10329%0.293CS..THydrogen-bonded Turntrans93.11.5179.300000113.6Y44 Y82 W86 I87 N88 S143 I146Y44-G84 WeakPolarHBondContact OH-CA 3.35Å; Y44-G84 PolarHBondContact OH-O 3.42Å; Y44-G84 VanDerWaalsContact OH-O 3.12Å; Y82-G84 PolarHBondContact O-N 3.14Å; G84-W86 PolarHBondContact O-N 2.66Å; G84-I87 PolarHBondContact O-N 2.89Å; G84-N88 WeakPolarHBondContact O-CB 3.23Å; G84-N88 PolarHBondContact O-N 3.33Å; G84-S143 PolarHBondContact O-OG 3.45Å; G84-I146 VanDerWaalsContact N-CG2 3.26Å
85F93.3Very high85.2Confident18 Ų1854.2 Ų54.28%0.07928%0.281CS..Hα-helixtrans-52.5-54.6-175.8174.6-101.2000111.3R40 S41 Y44 Y82 I87 N88 S89R40-F85 HydrophobicContact CB-CE2 4.11Å; S41-F85 WeakPolarHBondContact OG-CZ 3.41Å; Y44-F85 HydrophobicContact CD1-CB 4.09Å; Y44-F85 HydrophobicContact CD1-CD2 4.12Å; Y44-F85 AromaticContact CD2-CD2 3.84Å; Y44-F85 HydrophobicContact CD2-CD2 3.84Å; Y44-F85 HydrophobicContact CE1-CB 3.86Å; Y44-F85 HydrophobicContact CE2-CB 4.45Å; Y44-F85 HydrophobicContact CE2-CD2 4.33Å; Y44-F85 HydrophobicContact CG-CB 4.47Å; Y44-F85 AromaticContact CG-CD2 3.72Å; Y44-F85 HydrophobicContact CG-CD2 3.72Å; Y44-F85 VanDerWaalsContact CZ-CA 3.41Å; Y44-F85 PolarHBondContact OH-N 2.81Å; Y82-F85 VanDerWaalsContact O-CB 3.24Å; Y82-F85 WeakPolarHBondContact O-CB 3.05Å; Y82-F85 PolarHBondContact O-N 3.25Å; Y82-F85 VanDerWaalsContact O-N 3.17Å; F85-I87 PolarHBondContact O-N 2.63Å; F85-N88 CarbonylContact O-C 3.6Å; F85-N88 PolarHBondContact O-N 2.82Å; F85-N88 VanDerWaalsContact O-N 3.14Å; F85-S89 WeakPolarHBondContact CZ-OG 2.92Å; F85-S89 WeakPolarHBondContact O-CB 3.45Å; F85-S89 PolarHBondContact O-N 3.47Å; F85-S89 PolarHBondContact O-OG 2.86Å
86W93.1Very high84.9Confident189 Ų18954.3 Ų54.372%0.71629%0.286SS*.Hα-helixtrans-60.7-41.1-178.3-63.7118.7000113.8G84 N88 S89 F90G84-W86 PolarHBondContact O-N 2.66Å; W86-N88 VanDerWaalsContact C-N 3.34Å; W86-N88 PolarHBondContact O-N 2.89Å; W86-S89 PolarHBondContact O-N 2.88Å; W86-F90 WeakPolarHBondContact O-CD2 3.37Å; W86-F90 PolarHBondContact O-N 2.72Å
87I91.7Very high84.5Confident31 Ų3154.1 Ų54.116%0.15929%0.288CS..Hα-helixtrans-64.9-42.5177.2-57.7-169.7000110.6G84 F85 S89 L139 V142 I146G84-I87 PolarHBondContact O-N 2.89Å; F85-I87 PolarHBondContact O-N 2.63Å; I87-S89 VanDerWaalsContact C-N 3.34Å; I87-L139 HydrophobicContact CG2-CB 4.47Å; I87-L139 HydrophobicContact CG2-CD2 4.19Å; I87-V142 HydrophobicContact CD1-CG1 3.71Å; I87-I146 HydrophobicContact CD1-CD1 3.29Å; I87-I146 HydrophobicContact CG1-CD1 4.32Å
88N89.1Confident84.1Confident17 Ų1757.5 Ų57.59%0.09129%0.293CS..Hα-helixtrans-67.9-34.9176.8-175.6-105.6000112R40 Y44 G84 F85 W86 F90 Q91R40-N88 PolarHBondContact NH1-O 3.41Å; R40-N88 PolarHBondContact NH1-OD1 3.43Å; Y44-N88 HydrophobicContact CE2-CB 3.8Å; G84-N88 WeakPolarHBondContact O-CB 3.23Å; G84-N88 PolarHBondContact O-N 3.33Å; F85-N88 CarbonylContact O-C 3.6Å; F85-N88 PolarHBondContact O-N 2.82Å; F85-N88 VanDerWaalsContact O-N 3.14Å; W86-N88 VanDerWaalsContact C-N 3.34Å; W86-N88 PolarHBondContact O-N 2.89Å; N88-F90 PolarHBondContact O-N 3.29Å; N88-Q91 PolarHBondContact ND2-NE2 3.08Å; N88-Q91 VanDerWaalsContact ND2-NE2 3.17Å; N88-Q91 PolarHBondContact ND2-OE1 3.12Å; N88-Q91 VanDerWaalsContact ND2-OE1 3.12Å; N88-Q91 WeakPolarHBondContact O-CB 3.49Å; N88-Q91 VanDerWaalsContact O-CG 3.24Å; N88-Q91 WeakPolarHBondContact O-CG 3.22Å; N88-Q91 PolarHBondContact O-N 3.48Å
89S89.3Confident83.5Confident10 Ų1055.8 Ų55.87%0.0728%0.284CS..Hα-helixtrans-64.7-23.6-179.7-67.80000113.5F85 W86 I87 Q91 I92F85-S89 WeakPolarHBondContact CZ-OG 2.92Å; F85-S89 WeakPolarHBondContact O-CB 3.45Å; F85-S89 PolarHBondContact O-N 3.47Å; F85-S89 PolarHBondContact O-OG 2.86Å; W86-S89 PolarHBondContact O-N 2.88Å; I87-S89 VanDerWaalsContact C-N 3.34Å; S89-Q91 PolarHBondContact O-N 2.9Å; S89-Q91 VanDerWaalsContact O-N 3.09Å; S89-I92 WeakPolarHBondContact O-CB 3.47Å; S89-I92 VanDerWaalsContact O-CG1 3.31Å; S89-I92 WeakPolarHBondContact O-CG1 3.34Å; S89-I92 PolarHBondContact O-N 3.16Å
90F87.8Confident83.1Confident126 Ų12656.5 Ų56.555%0.55328%0.28SS*.G310 helixtrans-59.6-19.2170.2-77.2-72.9000113.3W86 N88 I92 L93 L139W86-F90 WeakPolarHBondContact O-CD2 3.37Å; W86-F90 PolarHBondContact O-N 2.72Å; N88-F90 PolarHBondContact O-N 3.29Å; F90-I92 PolarHBondContact O-N 3.2Å; F90-L93 PolarHBondContact O-N 3Å; F90-L139 HydrophobicContact CB-CD1 4.16Å
91Q83.5Confident82.7Confident23 Ų2357.8 Ų57.811%0.10729%0.289CS..G310 helixtrans-69.2-12.4172.1-61.7169.45.800113.2N88 S89 L93 S94 F136 D140N88-Q91 PolarHBondContact ND2-NE2 3.08Å; N88-Q91 VanDerWaalsContact ND2-NE2 3.17Å; N88-Q91 PolarHBondContact ND2-OE1 3.12Å; N88-Q91 VanDerWaalsContact ND2-OE1 3.12Å; N88-Q91 WeakPolarHBondContact O-CB 3.49Å; N88-Q91 VanDerWaalsContact O-CG 3.24Å; N88-Q91 WeakPolarHBondContact O-CG 3.22Å; N88-Q91 PolarHBondContact O-N 3.48Å; S89-Q91 PolarHBondContact O-N 2.9Å; S89-Q91 VanDerWaalsContact O-N 3.09Å; Q91-L93 PolarHBondContact O-N 3.02Å; Q91-S94 WeakPolarHBondContact O-CB 3.3Å; Q91-S94 PolarHBondContact O-N 2.89Å; Q91-S94 PolarHBondContact O-OG 3.25Å; Q91-F136 HydrophobicContact CG-CD1 4.13Å; Q91-D140 PolarHBondContact NE2-OD1 3.29Å
92I82.2Confident82.2Confident26 Ų2660.2 Ų60.213%0.13330%0.299CS..G310 helixtrans-62.8-32.5173.2-63.6172.3000110.3T33 L37 S89 F90 S94T33-I92 HydrophobicContact CG2-CG2 4.27Å; L37-I92 HydrophobicContact CB-CD1 4.39Å; L37-I92 HydrophobicContact CD2-CD1 3.38Å; L37-I92 HydrophobicContact CG-CD1 3.55Å; S89-I92 WeakPolarHBondContact O-CB 3.47Å; S89-I92 VanDerWaalsContact O-CG1 3.31Å; S89-I92 WeakPolarHBondContact O-CG1 3.34Å; S89-I92 PolarHBondContact O-N 3.16Å; F90-I92 PolarHBondContact O-N 3.2Å; I92-S94 PolarHBondContact O-N 3.45Å
93L73.8Confident81.5Confident116 Ų11660.3 Ų60.361%0.60730%0.303SS*.G310 helixtrans-64.9-9.5174.6-73.470.1000112.4F90 Q91 G95F90-L93 PolarHBondContact O-N 3Å; Q91-L93 PolarHBondContact O-N 3.02Å; L93-G95 PolarHBondContact O-N 3.15Å
94S68.7Low81.3Confident34 Ų3464.8 Ų64.824%0.23832%0.324CS..Hα-helixtrans-63.8-35.4-178.367.60000114.5Q91 I92 V96 S97 Y98 F136Q91-S94 WeakPolarHBondContact O-CB 3.3Å; Q91-S94 PolarHBondContact O-N 2.89Å; Q91-S94 PolarHBondContact O-OG 3.25Å; I92-S94 PolarHBondContact O-N 3.45Å; S94-V96 PolarHBondContact O-N 3.17Å; S94-S97 WeakPolarHBondContact CA-OG 3.47Å; S94-S97 PolarHBondContact O-N 3.35Å; S94-S97 PolarHBondContact O-OG 3.44Å; S94-Y98 PolarHBondContact O-N 2.63Å; S94-F136 VanDerWaalsContact CA-CZ 3.43Å
95G68.2Low81Confident37 Ų3765.4 Ų65.438%0.38132%0.324SS..Hα-helixtrans-56.1-42.9-175.400000111.3L93 Y98 I99L93-G95 PolarHBondContact O-N 3.15Å; G95-Y98 PolarHBondContact O-N 2.91Å; G95-I99 WeakPolarHBondContact O-CD1 3.38Å; G95-I99 VanDerWaalsContact O-CG1 3.24Å; G95-I99 WeakPolarHBondContact O-CG1 3.34Å; G95-I99 PolarHBondContact O-N 3.06Å; G95-I99 VanDerWaalsContact O-N 3.12Å
96V72.8Confident80.4Confident80 Ų8068.6 Ų68.649%0.48534%0.336SS..Hα-helixtrans-66.1-46.1177.6-176.80000111.1S94 Y98 I99 L100S94-V96 PolarHBondContact O-N 3.17Å; V96-Y98 VanDerWaalsContact C-N 3.32Å; V96-Y98 PolarHBondContact O-N 2.64Å; V96-I99 PolarHBondContact O-N 2.99Å; V96-L100 HydrophobicContact CG1-CD1 3.84Å; V96-L100 HydrophobicContact CG1-CG 4.3Å; V96-L100 WeakPolarHBondContact O-CB 3.32Å; V96-L100 VanDerWaalsContact O-CG 3.28Å; V96-L100 WeakPolarHBondContact O-CG 3.2Å; V96-L100 PolarHBondContact O-N 3.28Å
97S72.3Confident80Confident29 Ų2964 Ų6420%0.20333%0.325CS..Hα-helixtrans-62.6-36.9179.868.30000113.3S94 S101S94-S97 WeakPolarHBondContact CA-OG 3.47Å; S94-S97 PolarHBondContact O-N 3.35Å; S94-S97 PolarHBondContact O-OG 3.44Å; S97-S101 VanDerWaalsContact O-CB 3.3Å; S97-S101 WeakPolarHBondContact O-CB 3.36Å; S97-S101 PolarHBondContact O-N 2.9Å; S97-S101 VanDerWaalsContact O-N 3.1Å; S97-S101 PolarHBondContact O-OG 2.91Å
98Y75.1Confident79.8Confident100 Ų10066.9 Ų66.939%0.39234%0.34SS..Hα-helixtrans-69.1-48.3178.6-179.5-92.1000110.9S94 G95 V96 S101 Y102 A128S94-Y98 PolarHBondContact O-N 2.63Å; G95-Y98 PolarHBondContact O-N 2.91Å; V96-Y98 VanDerWaalsContact C-N 3.32Å; V96-Y98 PolarHBondContact O-N 2.64Å; Y98-S101 PolarHBondContact O-N 2.98Å; Y98-Y102 WeakPolarHBondContact O-CB 3.36Å; Y98-Y102 PolarHBondContact O-N 3.38Å; Y98-A128 HydrophobicContact CD2-CB 3.81Å; Y98-A128 HydrophobicContact CE2-CB 3.68Å; Y98-A128 HydrophobicContact CG-CB 4.49Å
99I75.8Confident79.5Confident79 Ų7967 Ų6741%0.40534%0.341SS..Hα-helixtrans-59.2-51.2179.7-67.7165.6000110.2G95 V96 S101 Y102 E103G95-I99 WeakPolarHBondContact O-CD1 3.38Å; G95-I99 VanDerWaalsContact O-CG1 3.24Å; G95-I99 WeakPolarHBondContact O-CG1 3.34Å; G95-I99 PolarHBondContact O-N 3.06Å; G95-I99 VanDerWaalsContact O-N 3.12Å; V96-I99 PolarHBondContact O-N 2.99Å; I99-S101 VanDerWaalsContact C-N 3.3Å; I99-S101 PolarHBondContact O-N 3.48Å; I99-Y102 PolarHBondContact O-N 3.43Å; I99-E103 HydrophobicContact CG2-CG 4.44Å; I99-E103 WeakPolarHBondContact O-CG 3.39Å; I99-E103 PolarHBondContact O-N 3.03Å
100L78.9Confident79.2Confident106 Ų10668.1 Ų68.156%0.55535%0.351SS*.Hα-helixtrans-60.3-39.8179.6-68.3175.6000112.6V96 K104V96-L100 HydrophobicContact CG1-CD1 3.84Å; V96-L100 HydrophobicContact CG1-CG 4.3Å; V96-L100 WeakPolarHBondContact O-CB 3.32Å; V96-L100 VanDerWaalsContact O-CG 3.28Å; V96-L100 WeakPolarHBondContact O-CG 3.2Å; V96-L100 PolarHBondContact O-N 3.28Å; L100-K104 VanDerWaalsContact O-CB 3.28Å; L100-K104 WeakPolarHBondContact O-CB 3.46Å; L100-K104 PolarHBondContact O-N 3.26Å; L100-K104 VanDerWaalsContact O-N 3.16Å
101S78.7Confident79.2Confident28 Ų2868.7 Ų68.720%0.19636%0.36CS..Hα-helixtrans-67.9-45.1177.4-58.90000110.9S97 Y98 I99 K104 I105S97-S101 VanDerWaalsContact O-CB 3.3Å; S97-S101 WeakPolarHBondContact O-CB 3.36Å; S97-S101 PolarHBondContact O-N 2.9Å; S97-S101 VanDerWaalsContact O-N 3.1Å; S97-S101 PolarHBondContact O-OG 2.91Å; Y98-S101 PolarHBondContact O-N 2.98Å; I99-S101 VanDerWaalsContact C-N 3.3Å; I99-S101 PolarHBondContact O-N 3.48Å; S101-K104 PolarHBondContact O-N 2.92Å; S101-I105 WeakPolarHBondContact O-CB 3.32Å; S101-I105 WeakPolarHBondContact O-CD1 3.48Å; S101-I105 WeakPolarHBondContact O-CG1 3.35Å; S101-I105 PolarHBondContact O-N 3.46Å
102Y77.9Confident79.3Confident54 Ų5474.6 Ų74.621%0.21239%0.388CS..Hα-helixtrans-61.7-47.1-178.7173.9-100.3000112.1Y98 I99 I105 R106Y98-Y102 WeakPolarHBondContact O-CB 3.36Å; Y98-Y102 PolarHBondContact O-N 3.38Å; I99-Y102 PolarHBondContact O-N 3.43Å; Y102-I105 PolarHBondContact O-N 3.36Å; Y102-R106 HydrophobicContact CE1-CG 4.41Å; Y102-R106 VanDerWaalsContact CE1-NH1 3.29Å; Y102-R106 HydrophobicContact CE2-CG 4.33Å; Y102-R106 WeakPolarHBondContact O-CB 3.21Å; Y102-R106 WeakPolarHBondContact O-CG 3.41Å; Y102-R106 PolarHBondContact O-N 2.85Å; Y102-R106 WeakPolarHBondContact OH-CD 3.44Å; Y102-R106 PolarHBondContact OH-NH1 2.93Å
103E80.1Confident79.4Confident103 Ų10376 Ų7648%0.48141%0.408SS..Hα-helixtrans-61.8-51.3177-71.8178.2171.900110.8I99 I105 R106 D107I99-E103 HydrophobicContact CG2-CG 4.44Å; I99-E103 WeakPolarHBondContact O-CG 3.39Å; I99-E103 PolarHBondContact O-N 3.03Å; E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 PolarHBondContact O-N 3.47Å; E103-R106 WeakPolarHBondContact O-CB 3.38Å; E103-R106 PolarHBondContact O-N 2.81Å; E103-D107 PolarHBondContact O-N 3.5Å
104K84.8Confident79.7Confident145 Ų14572.4 Ų72.463%0.6339%0.391SS*.Hα-helixtrans-57.1-42.6179.3-173.5172.6-176.1173.70113L100 S101 D107 L108L100-K104 VanDerWaalsContact O-CB 3.28Å; L100-K104 WeakPolarHBondContact O-CB 3.46Å; L100-K104 PolarHBondContact O-N 3.26Å; L100-K104 VanDerWaalsContact O-N 3.16Å; S101-K104 PolarHBondContact O-N 2.92Å; K104-D107 PolarHBondContact O-N 3.47Å; K104-L108 HydrophobicContact CG-CD1 4.33Å; K104-L108 VanDerWaalsContact O-CG 3.25Å; K104-L108 WeakPolarHBondContact O-CG 3.26Å; K104-L108 PolarHBondContact O-N 2.83Å; K104-L108 VanDerWaalsContact O-N 3.13Å
105I84.6Confident80.1Confident22 Ų2277.4 Ų77.411%0.11342%0.42CS..Hα-helixtrans-70.6-38179-65.1155.9000110.7S101 Y102 E103 D107 L109 C127 A128 F131S101-I105 WeakPolarHBondContact O-CB 3.32Å; S101-I105 WeakPolarHBondContact O-CD1 3.48Å; S101-I105 WeakPolarHBondContact O-CG1 3.35Å; S101-I105 PolarHBondContact O-N 3.46Å; Y102-I105 PolarHBondContact O-N 3.36Å; E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 PolarHBondContact O-N 3.47Å; I105-D107 VanDerWaalsContact C-N 3.31Å; I105-D107 PolarHBondContact O-N 3.06Å; I105-L109 HydrophobicContact CG2-CD1 4Å; I105-L109 HydrophobicContact CG2-CG 4.42Å; I105-L109 VanDerWaalsContact O-CG 3.26Å; I105-L109 WeakPolarHBondContact O-CG 3.31Å; I105-L109 PolarHBondContact O-N 3.25Å; I105-C127 HydrophobicContact CD1-CB 3.29Å; I105-C127 HydrophobicContact CG1-CB 4.24Å; I105-C127 HydrophobicContact CG2-CB 4.28Å; I105-A128 HydrophobicContact CD1-CB 4.47Å; I105-F131 HydrophobicContact CD1-CD2 4.23Å; I105-F131 HydrophobicContact CD1-CE2 4.39Å
106R79.5Confident80.7Confident86 Ų8677.9 Ų77.933%0.32542%0.417SS..Hα-helixtrans-62.5-40.1175.9-83.6-17957.5177.3-6.4111.9Y102 E103 L109 A110 R120Y102-R106 HydrophobicContact CE1-CG 4.41Å; Y102-R106 VanDerWaalsContact CE1-NH1 3.29Å; Y102-R106 HydrophobicContact CE2-CG 4.33Å; Y102-R106 WeakPolarHBondContact O-CB 3.21Å; Y102-R106 WeakPolarHBondContact O-CG 3.41Å; Y102-R106 PolarHBondContact O-N 2.85Å; Y102-R106 WeakPolarHBondContact OH-CD 3.44Å; Y102-R106 PolarHBondContact OH-NH1 2.93Å; E103-R106 WeakPolarHBondContact O-CB 3.38Å; E103-R106 PolarHBondContact O-N 2.81Å; R106-L109 PolarHBondContact O-N 3.49Å; R106-A110 PolarHBondContact O-N 3.06Å; R106-R120 PolarHBondContact O-NE 3.46Å; R106-R120 PolarHBondContact O-NH2 2.97Å
107D84.5Confident81Confident92 Ų9277.9 Ų77.949%0.49242%0.421SS..Hα-helixtrans-68.2-47.1-179.7-65.3-17.2000110.5E103 K104 I105 L109 A110 D111E103-D107 PolarHBondContact O-N 3.5Å; K104-D107 PolarHBondContact O-N 3.47Å; I105-D107 VanDerWaalsContact C-N 3.31Å; I105-D107 PolarHBondContact O-N 3.06Å; D107-L109 VanDerWaalsContact C-N 3.25Å; D107-L109 PolarHBondContact O-N 3.46Å; D107-A110 WeakPolarHBondContact O-CA 3.32Å; D107-A110 WeakPolarHBondContact O-CB 3.33Å; D107-A110 PolarHBondContact O-N 3.21Å; D107-D111 PolarHBondContact O-N 2.97Å
108L87.6Confident81.3Confident91 Ų9184.1 Ų84.148%0.47645%0.447SS..Hα-helixtrans-56.8-37.5174.7-69.8171.6000113K104 Q112K104-L108 HydrophobicContact CG-CD1 4.33Å; K104-L108 VanDerWaalsContact O-CG 3.25Å; K104-L108 WeakPolarHBondContact O-CG 3.26Å; K104-L108 PolarHBondContact O-N 2.83Å; K104-L108 VanDerWaalsContact O-N 3.13Å; L108-Q112 VanDerWaalsContact O-CG 3.32Å; L108-Q112 WeakPolarHBondContact O-CG 3.42Å; L108-Q112 PolarHBondContact O-N 3.21Å
109L83.2Confident81.4Confident19 Ų1982.4 Ų82.410%0.09945%0.447CS..Hα-helixtrans-74.4-28.9175.9-68.8170.6000112.9I105 R106 D107 V114 R120 I123I105-L109 HydrophobicContact CG2-CD1 4Å; I105-L109 HydrophobicContact CG2-CG 4.42Å; I105-L109 VanDerWaalsContact O-CG 3.26Å; I105-L109 WeakPolarHBondContact O-CG 3.31Å; I105-L109 PolarHBondContact O-N 3.25Å; R106-L109 PolarHBondContact O-N 3.49Å; D107-L109 VanDerWaalsContact C-N 3.25Å; D107-L109 PolarHBondContact O-N 3.46Å; L109-V114 HydrophobicContact CB-CB 4.41Å; L109-V114 HydrophobicContact CB-CG2 4.43Å; L109-V114 HydrophobicContact CD2-CG2 4.31Å; L109-V114 WeakPolarHBondContact O-CB 3.48Å; L109-V114 PolarHBondContact O-N 2.85Å; L109-R120 HydrophobicContact CB-CG 3.89Å; L109-R120 HydrophobicContact CD1-CG 4.37Å; L109-I123 HydrophobicContact CD1-CB 3.72Å; L109-I123 HydrophobicContact CD1-CD1 4.39Å; L109-I123 HydrophobicContact CD1-CG2 3.68Å; L109-I123 HydrophobicContact CD2-CG2 4.43Å
110A83.6Confident81.5Confident35 Ų3581 Ų8129%0.28944%0.436SS..Hα-helixtrans-64.2-47172.600000110.1R106 D107 Q112 G113 R120R106-A110 PolarHBondContact O-N 3.06Å; D107-A110 WeakPolarHBondContact O-CA 3.32Å; D107-A110 WeakPolarHBondContact O-CB 3.33Å; D107-A110 PolarHBondContact O-N 3.21Å; A110-Q112 PolarHBondContact O-N 2.97Å; A110-G113 PolarHBondContact O-N 3.03Å; A110-R120 VanDerWaalsContact CB-NH2 3.29Å
111D87Confident81.4Confident137 Ų13777.6 Ų77.673%0.73342%0.423SS*.Hα-helixtrans-63.9-30.2-179.7-64.4-14.2000111.8D107 G113D107-D111 PolarHBondContact O-N 2.97Å; D111-G113 PolarHBondContact O-N 3.34Å
112Q85.5Confident81.4Confident148 Ų14884.2 Ų84.269%0.69245%0.449SS*.THydrogen-bonded Turntrans-791.5173.4-71.4179.8-1.300114.1L108 A110L108-Q112 VanDerWaalsContact O-CG 3.32Å; L108-Q112 WeakPolarHBondContact O-CG 3.42Å; L108-Q112 PolarHBondContact O-N 3.21Å; A110-Q112 PolarHBondContact O-N 2.97Å
113G84.4Confident81.6Confident54 Ų5484.6 Ų84.656%0.55745%0.454SS*.THydrogen-bonded Turntrans82.615.617600000115A110 D111 T115A110-G113 PolarHBondContact O-N 3.03Å; D111-G113 PolarHBondContact O-N 3.34Å; G113-T115 PolarHBondContact O-N 3.05Å; G113-T115 VanDerWaalsContact O-N 3.07Å
114V79.6Confident81.6Confident42 Ų4279.7 Ų79.726%0.25543%0.431SS..  trans-74.1100.9174.3-175.10000109.2L109 V119 R120L109-V114 HydrophobicContact CB-CB 4.41Å; L109-V114 HydrophobicContact CB-CG2 4.43Å; L109-V114 HydrophobicContact CD2-CG2 4.31Å; L109-V114 WeakPolarHBondContact O-CB 3.48Å; L109-V114 PolarHBondContact O-N 2.85Å; V114-V119 HydrophobicContact CG1-CB 4.23Å; V114-V119 HydrophobicContact CG1-CG1 3.94Å; V114-R120 HydrophobicContact CB-CG 4.11Å; V114-R120 HydrophobicContact CG1-CG 3.89Å; V114-R120 WeakPolarHBondContact O-CD 3.45Å
115T78Confident81.4Confident139 Ų13973.3 Ų73.385%0.85341%0.406SS*.  trans-78.5-27-175.655.20000113.7G113 S117G113-T115 PolarHBondContact O-N 3.05Å; G113-T115 VanDerWaalsContact O-N 3.07Å; T115-S117 PolarHBondContact O-N 3.49Å
116S81.2Confident81.3Confident46 Ų4674.1 Ų74.132%0.32242%0.42SS..  trans-71.8115.6-176.3178.30000112.1H118 V119 R120S116-H118 VanDerWaalsContact C-N 3.31Å; S116-H118 PolarHBondContact O-N 2.9Å; S116-V119 PolarHBondContact O-N 2.84Å; S116-V119 PolarHBondContact OG-N 3.27Å; S116-R120 PolarHBondContact O-N 3.39Å
117S79.1Confident81.5Confident80 Ų8072.5 Ų72.556%0.55942%0.421SS*.Hα-helixtrans-58.2-41.8176.3-176.80000112.1T115 V119 R120 A121T115-S117 PolarHBondContact O-N 3.49Å; S117-V119 PolarHBondContact O-N 3.35Å; S117-R120 PolarHBondContact O-N 2.86Å; S117-A121 VanDerWaalsContact O-CB 3.29Å; S117-A121 WeakPolarHBondContact O-CB 3.34Å; S117-A121 PolarHBondContact O-N 3.43Å
118H77.3Confident81.5Confident161 Ų16168.1 Ų68.175%0.74540%0.398SS*.Hα-helixtrans-64.3-41178.4-63.3-65.3000112.4S116 A121 F122S116-H118 VanDerWaalsContact C-N 3.31Å; S116-H118 PolarHBondContact O-N 2.9Å; H118-A121 PolarHBondContact O-N 3.48Å; H118-F122 VanDerWaalsContact O-CB 3.25Å; H118-F122 WeakPolarHBondContact O-CB 3.21Å; H118-F122 PolarHBondContact O-N 3.42Å
119V78.6Confident81.3Confident64 Ų6465 Ų6539%0.38838%0.384SS..Hα-helixtrans-67.8-44.4178.1176.60000110.5V114 S116 S117 A121 F122 I123V114-V119 HydrophobicContact CG1-CB 4.23Å; V114-V119 HydrophobicContact CG1-CG1 3.94Å; S116-V119 PolarHBondContact O-N 2.84Å; S116-V119 PolarHBondContact OG-N 3.27Å; S117-V119 PolarHBondContact O-N 3.35Å; V119-A121 PolarHBondContact O-N 3.03Å; V119-F122 PolarHBondContact O-N 3.37Å; V119-I123 HydrophobicContact CG1-CD1 3.65Å; V119-I123 HydrophobicContact CG1-CG1 4.27Å; V119-I123 WeakPolarHBondContact O-CG1 3.44Å; V119-I123 PolarHBondContact O-N 3.48Å
120R77.3Confident81.5Confident49 Ų4965.5 Ų65.519%0.18539%0.391CS..Hα-helixtrans-60.7-43.6175-77.1-18059.1-165.20.2112.2R106 L109 A110 V114 S116 S117 G124R106-R120 PolarHBondContact O-NE 3.46Å; R106-R120 PolarHBondContact O-NH2 2.97Å; L109-R120 HydrophobicContact CB-CG 3.89Å; L109-R120 HydrophobicContact CD1-CG 4.37Å; A110-R120 VanDerWaalsContact CB-NH2 3.29Å; V114-R120 HydrophobicContact CB-CG 4.11Å; V114-R120 HydrophobicContact CG1-CG 3.89Å; V114-R120 WeakPolarHBondContact O-CD 3.45Å; S116-R120 PolarHBondContact O-N 3.39Å; S117-R120 PolarHBondContact O-N 2.86Å; R120-G124 WeakPolarHBondContact O-CA 3.35Å; R120-G124 PolarHBondContact O-N 3.14Å
121A77.4Confident81.6Confident35 Ų3569.8 Ų69.829%0.28940%0.403SS..Hα-helixtrans-65.4-39.9176.800000112S117 H118 V119 G125S117-A121 VanDerWaalsContact O-CB 3.29Å; S117-A121 WeakPolarHBondContact O-CB 3.34Å; S117-A121 PolarHBondContact O-N 3.43Å; H118-A121 PolarHBondContact O-N 3.48Å; V119-A121 PolarHBondContact O-N 3.03Å; A121-G125 WeakPolarHBondContact O-CA 3.42Å; A121-G125 PolarHBondContact O-N 2.91Å
122F79Confident81.6Confident167 Ų16763.5 Ų63.573%0.73237%0.37SS*.Hα-helixtrans-66.8-51.3178.2-178.9-99.5000112.1H118 V119 G126H118-F122 VanDerWaalsContact O-CB 3.25Å; H118-F122 WeakPolarHBondContact O-CB 3.21Å; H118-F122 PolarHBondContact O-N 3.42Å; V119-F122 PolarHBondContact O-N 3.37Å; F122-G126 PolarHBondContact O-N 3.14Å
123I80.5Confident81.8Confident62 Ų6257.4 Ų57.432%0.31834%0.342SS..Hα-helixtrans-67.4-45.7178.9-61.3173.2000110.2L109 V119 G125 G126 C127L109-I123 HydrophobicContact CD1-CB 3.72Å; L109-I123 HydrophobicContact CD1-CD1 4.39Å; L109-I123 HydrophobicContact CD1-CG2 3.68Å; L109-I123 HydrophobicContact CD2-CG2 4.43Å; V119-I123 HydrophobicContact CG1-CD1 3.65Å; V119-I123 HydrophobicContact CG1-CG1 4.27Å; V119-I123 WeakPolarHBondContact O-CG1 3.44Å; V119-I123 PolarHBondContact O-N 3.48Å; I123-G125 PolarHBondContact O-N 3.32Å; I123-G126 PolarHBondContact O-N 3.49Å; I123-C127 WeakPolarHBondContact O-CB 3.12Å; I123-C127 PolarHBondContact O-N 2.75Å; I123-C127 PolarHBondContact O-SG 2.83Å
124G81.2Confident82Confident0 Ų058.9 Ų58.90%034%0.337CS..Hα-helixtrans-57.3-47.817600000112.1R120 A128R120-G124 WeakPolarHBondContact O-CA 3.35Å; R120-G124 PolarHBondContact O-N 3.14Å; G124-A128 WeakPolarHBondContact O-CB 3.24Å; G124-A128 PolarHBondContact O-N 2.91Å
125G81Confident82.4Confident11 Ų1161.6 Ų61.611%0.11335%0.349CS..Hα-helixtrans-65.4-42.1176.900000112.7A121 I123 S129A121-G125 WeakPolarHBondContact O-CA 3.42Å; A121-G125 PolarHBondContact O-N 2.91Å; I123-G125 PolarHBondContact O-N 3.32Å; G125-S129 VanDerWaalsContact O-CB 3.28Å; G125-S129 WeakPolarHBondContact O-CB 3.19Å; G125-S129 PolarHBondContact O-N 2.87Å; G125-S129 PolarHBondContact O-OG 2.77Å
126G82.2Confident82.8Confident38 Ų3856.1 Ų56.139%0.39231%0.313SS..Hα-helixtrans-61.6-52.9177.100000112.1F122 I123 S129 A130F122-G126 PolarHBondContact O-N 3.14Å; I123-G126 PolarHBondContact O-N 3.49Å; G126-S129 PolarHBondContact O-N 2.83Å; G126-S129 PolarHBondContact O-OG 2.98Å; G126-A130 PolarHBondContact O-N 3.3Å
127C84.2Confident83.4Confident52 Ų5253.9 Ų53.935%0.35130%0.298SS..Hα-helixtrans-65-42.8177.8-70.60000111.8I105 I123 S129 A130 F131I105-C127 HydrophobicContact CD1-CB 3.29Å; I105-C127 HydrophobicContact CG1-CB 4.24Å; I105-C127 HydrophobicContact CG2-CB 4.28Å; I123-C127 WeakPolarHBondContact O-CB 3.12Å; I123-C127 PolarHBondContact O-N 2.75Å; I123-C127 PolarHBondContact O-SG 2.83Å; C127-S129 VanDerWaalsContact C-N 3.29Å; C127-S129 PolarHBondContact O-N 2.7Å; C127-A130 WeakPolarHBondContact O-CB 3.48Å; C127-A130 PolarHBondContact O-N 2.74Å; C127-A130 VanDerWaalsContact O-N 3.15Å; C127-F131 WeakPolarHBondContact O-CD2 3.28Å; C127-F131 PolarHBondContact O-N 2.96Å
128A83.3Confident84.1Confident0 Ų051.2 Ų51.20%028%0.278CS..Hα-helixtrans-61.7-37.5175.100000112.2Y98 I105 G124 G132Y98-A128 HydrophobicContact CD2-CB 3.81Å; Y98-A128 HydrophobicContact CE2-CB 3.68Å; Y98-A128 HydrophobicContact CG-CB 4.49Å; I105-A128 HydrophobicContact CD1-CB 4.47Å; G124-A128 WeakPolarHBondContact O-CB 3.24Å; G124-A128 PolarHBondContact O-N 2.91Å; A128-G132 PolarHBondContact O-N 3.48Å
129S84.3Confident84.8Confident27 Ų2745.8 Ų45.819%0.18926%0.255CS..Hα-helixtrans-64.5-43.3173.779.20000111.5G125 G126 C127 G132 Q133G125-S129 VanDerWaalsContact O-CB 3.28Å; G125-S129 WeakPolarHBondContact O-CB 3.19Å; G125-S129 PolarHBondContact O-N 2.87Å; G125-S129 PolarHBondContact O-OG 2.77Å; G126-S129 PolarHBondContact O-N 2.83Å; G126-S129 PolarHBondContact O-OG 2.98Å; C127-S129 VanDerWaalsContact C-N 3.29Å; C127-S129 PolarHBondContact O-N 2.7Å; S129-G132 PolarHBondContact O-N 2.85Å; S129-Q133 VanDerWaalsContact O-CG 3.27Å; S129-Q133 WeakPolarHBondContact O-CG 3.24Å; S129-Q133 PolarHBondContact O-N 3.05Å
130A87.4Confident85.5Confident29 Ų2943.2 Ų43.224%0.2424%0.238CC..Hα-helixtrans-59.8-49.7175.600000112G126 C127 G132 Q133 L134 Y212 L216G126-A130 PolarHBondContact O-N 3.3Å; C127-A130 WeakPolarHBondContact O-CB 3.48Å; C127-A130 PolarHBondContact O-N 2.74Å; C127-A130 VanDerWaalsContact O-N 3.15Å; A130-G132 PolarHBondContact O-N 3.36Å; A130-Q133 PolarHBondContact O-N 2.83Å; A130-L134 PolarHBondContact O-N 2.95Å; A130-Y212 WeakPolarHBondContact CA-OH 3.25Å; A130-Y212 WeakPolarHBondContact CB-OH 3.08Å; A130-Y212 PolarHBondContact O-OH 3.48Å; A130-L216 HydrophobicContact CB-CD2 4.46Å
131F86.2Confident86.3Confident124 Ų12440.9 Ų40.954%0.54423%0.23SC..Hα-helixtrans-61.3-43.9176.7-79.6-68000112.5I105 C127 Q133 L134I105-F131 HydrophobicContact CD1-CD2 4.23Å; I105-F131 HydrophobicContact CD1-CE2 4.39Å; C127-F131 WeakPolarHBondContact O-CD2 3.28Å; C127-F131 PolarHBondContact O-N 2.96Å; F131-Q133 VanDerWaalsContact C-N 3.34Å; F131-Q133 PolarHBondContact O-N 3.38Å; F131-L134 VanDerWaalsContact O-CB 3.29Å; F131-L134 WeakPolarHBondContact O-CB 3.41Å; F131-L134 PolarHBondContact O-N 3.33Å; F131-L134 VanDerWaalsContact O-N 3.14Å
132G85.4Confident87.1Confident5 Ų539.6 Ų39.65%0.05222%0.218CC..Hα-helixtrans-57.8-47.317500000111.7A128 S129 A130 L134 I135 F136A128-G132 PolarHBondContact O-N 3.48Å; S129-G132 PolarHBondContact O-N 2.85Å; A130-G132 PolarHBondContact O-N 3.36Å; G132-L134 PolarHBondContact O-N 2.75Å; G132-L134 VanDerWaalsContact O-N 3.15Å; G132-I135 PolarHBondContact O-N 3.21Å; G132-I135 VanDerWaalsContact O-N 3.11Å; G132-F136 WeakPolarHBondContact O-CD2 3.46Å; G132-F136 WeakPolarHBondContact O-CE2 3.14Å; G132-F136 WeakPolarHBondContact O-CG 3.48Å; G132-F136 PolarHBondContact O-N 3.12Å; G132-F136 VanDerWaalsContact O-N 3.12Å
133Q89.7Confident87.9Confident20 Ų2031.7 Ų31.79%0.09318%0.184CC..Hα-helixtrans-62.5-22.7179.5-68.5-48.9-63.900113.5S129 A130 F131 I135 F136 V137 Y212 L216S129-Q133 VanDerWaalsContact O-CG 3.27Å; S129-Q133 WeakPolarHBondContact O-CG 3.24Å; S129-Q133 PolarHBondContact O-N 3.05Å; A130-Q133 PolarHBondContact O-N 2.83Å; F131-Q133 VanDerWaalsContact C-N 3.34Å; F131-Q133 PolarHBondContact O-N 3.38Å; Q133-I135 VanDerWaalsContact C-N 3.28Å; Q133-I135 PolarHBondContact O-N 3.02Å; Q133-F136 PolarHBondContact O-N 3.4Å; Q133-V137 HydrophobicContact CB-CG2 3.95Å; Q133-V137 VanDerWaalsContact O-CB 3.29Å; Q133-V137 WeakPolarHBondContact O-CB 3.18Å; Q133-V137 WeakPolarHBondContact O-CG2 3.28Å; Q133-V137 PolarHBondContact O-N 3.37Å; Q133-Y212 HydrophobicContact CB-CD2 3.91Å; Q133-Y212 HydrophobicContact CB-CE2 3.45Å; Q133-Y212 VanDerWaalsContact CB-CE2 3.45Å; Q133-L216 HydrophobicContact CB-CD2 4.12Å; Q133-L216 HydrophobicContact CG-CD2 3.54Å; Q133-L216 HydrophobicContact CG-CG 4.17Å
134L89.9Confident88.5Confident86 Ų8629 Ų2945%0.4517%0.17SC..Hα-helixtrans-62.9-37.2175.8-167.872.9000111.6A130 F131 G132 P138 Y209A130-L134 PolarHBondContact O-N 2.95Å; F131-L134 VanDerWaalsContact O-CB 3.29Å; F131-L134 WeakPolarHBondContact O-CB 3.41Å; F131-L134 PolarHBondContact O-N 3.33Å; F131-L134 VanDerWaalsContact O-N 3.14Å; G132-L134 PolarHBondContact O-N 2.75Å; G132-L134 VanDerWaalsContact O-N 3.15Å; L134-P138 WeakPolarHBondContact O-CD 3.3Å; L134-Y209 HydrophobicContact CD1-CD1 4.41Å; L134-Y209 HydrophobicContact CD1-CE1 3.6Å; L134-Y209 HydrophobicContact CG-CE1 4.19Å; L134-Y209 WeakPolarHBondContact O-CE1 3.28Å; L134-Y209 PolarHBondContact O-OH 3.16Å
135I87.1Confident89.1Confident99 Ų9929.3 Ų29.351%0.50817%0.171SC..Hα-helixtrans-84.1-38.4177.8-60.6173.5000110.4G132 Q133G132-I135 PolarHBondContact O-N 3.21Å; G132-I135 VanDerWaalsContact O-N 3.11Å; Q133-I135 VanDerWaalsContact C-N 3.28Å; Q133-I135 PolarHBondContact O-N 3.02Å
136F87.5Confident89.7Confident23 Ų2329.4 Ų29.410%0.10117%0.169CC..Hα-helixtrans-84.7-32.6-169.4-54.4-43.8000114.7Q91 S94 G132 Q133 L139 D140Q91-F136 HydrophobicContact CG-CD1 4.13Å; S94-F136 VanDerWaalsContact CA-CZ 3.43Å; G132-F136 WeakPolarHBondContact O-CD2 3.46Å; G132-F136 WeakPolarHBondContact O-CE2 3.14Å; G132-F136 WeakPolarHBondContact O-CG 3.48Å; G132-F136 PolarHBondContact O-N 3.12Å; G132-F136 VanDerWaalsContact O-N 3.12Å; Q133-F136 PolarHBondContact O-N 3.4Å; F136-L139 HydrophobicContact CD1-CD1 4.45Å; F136-L139 CarbonylContact O-C 3.47Å; F136-L139 PolarHBondContact O-N 3.49Å; F136-D140 WeakPolarHBondContact O-CB 3.28Å; F136-D140 PolarHBondContact O-N 3.03Å
137V92.8Very high90.2Very high0 Ų027.8 Ų27.80%015%0.151CC..Hα-helixtrans-60.1-43.9-177172.70000111.8Q133 L139 D140 V141 Y212Q133-V137 HydrophobicContact CB-CG2 3.95Å; Q133-V137 VanDerWaalsContact O-CB 3.29Å; Q133-V137 WeakPolarHBondContact O-CB 3.18Å; Q133-V137 WeakPolarHBondContact O-CG2 3.28Å; Q133-V137 PolarHBondContact O-N 3.37Å; V137-L139 VanDerWaalsContact C-N 3.35Å; V137-L139 PolarHBondContact O-N 3.23Å; V137-D140 PolarHBondContact O-N 3.47Å; V137-V141 HydrophobicContact CG1-CG2 4.27Å; V137-V141 WeakPolarHBondContact O-CB 3.35Å; V137-V141 VanDerWaalsContact O-CG2 3.26Å; V137-V141 WeakPolarHBondContact O-CG2 3.43Å; V137-V141 PolarHBondContact O-N 3.26Å; V137-Y212 HydrophobicContact CB-CD2 4.31Å; V137-Y212 HydrophobicContact CG2-CD2 3.86Å
138P94.3Very high90.5Very high23 Ų2325.8 Ų25.815%0.14914%0.137CC..Hα-helixtrans-56.3-44.6171.5-28.637.1000113.7L134 V141 V142 F208 Y209L134-P138 WeakPolarHBondContact O-CD 3.3Å; P138-V141 PolarHBondContact O-N 3.05Å; P138-V142 WeakPolarHBondContact O-CG2 3.09Å; P138-V142 PolarHBondContact O-N 3.15Å; P138-V142 VanDerWaalsContact O-N 3.09Å; P138-F208 WeakPolarHBondContact CA-O 3.39Å; P138-F208 HydrophobicContact CB-CB 4.01Å; P138-F208 HydrophobicContact CB-CD1 4.26Å; P138-F208 HydrophobicContact CG-CB 4.19Å; P138-Y209 HydrophobicContact CG-CD1 4.2Å; P138-Y209 HydrophobicContact CG-CD2 4.44Å; P138-Y209 HydrophobicContact CG-CE1 3.7Å; P138-Y209 HydrophobicContact CG-CE2 3.98Å
139L92.8Very high90.8Very high48 Ų4826.6 Ų26.625%0.25114%0.141SC..Hα-helixtrans-66.7-40.6178.8-64.8175.3000111.9I87 F90 F136 V137 V142 S143I87-L139 HydrophobicContact CG2-CB 4.47Å; I87-L139 HydrophobicContact CG2-CD2 4.19Å; F90-L139 HydrophobicContact CB-CD1 4.16Å; F136-L139 HydrophobicContact CD1-CD1 4.45Å; F136-L139 CarbonylContact O-C 3.47Å; F136-L139 PolarHBondContact O-N 3.49Å; V137-L139 VanDerWaalsContact C-N 3.35Å; V137-L139 PolarHBondContact O-N 3.23Å; L139-V142 PolarHBondContact O-N 3.4Å; L139-S143 WeakPolarHBondContact O-CB 3.2Å; L139-S143 PolarHBondContact O-N 3.38Å
140D92.8Very high90.6Very high9 Ų926.9 Ų26.95%0.04814%0.137CC..Hα-helixtrans-61.8-49175.5-100.4-3.1000110.6Q91 F136 V137 V142 S143 Q144 Y219 R273Q91-D140 PolarHBondContact NE2-OD1 3.29Å; F136-D140 WeakPolarHBondContact O-CB 3.28Å; F136-D140 PolarHBondContact O-N 3.03Å; V137-D140 PolarHBondContact O-N 3.47Å; D140-V142 PolarHBondContact O-N 2.83Å; D140-S143 PolarHBondContact O-N 3.28Å; D140-Q144 WeakPolarHBondContact O-CB 3.47Å; D140-Q144 VanDerWaalsContact O-CG 3.25Å; D140-Q144 WeakPolarHBondContact O-CG 3.4Å; D140-Q144 PolarHBondContact O-N 3.18Å; D140-Y219 PolarHBondContact OD2-OH 2.67Å; D140-R273 IonicContact OD2-NH1 3.3Å; D140-R273 PolarHBondContact OD2-NH1 2.68Å
141V93.9Very high90.1Very high0 Ų032.1 Ų32.10%016%0.155CC..Hα-helixtrans-58.1-48.9179170.80000110.1V137 P138 H145 I198 F208 Q277V137-V141 HydrophobicContact CG1-CG2 4.27Å; V137-V141 WeakPolarHBondContact O-CB 3.35Å; V137-V141 VanDerWaalsContact O-CG2 3.26Å; V137-V141 WeakPolarHBondContact O-CG2 3.43Å; V137-V141 PolarHBondContact O-N 3.26Å; P138-V141 PolarHBondContact O-N 3.05Å; V141-H145 PolarHBondContact O-N 3.1Å; V141-H145 PolarHBondContact O-ND1 2.68Å; V141-I198 HydrophobicContact CG1-CD1 3.83Å; V141-F208 WeakPolarHBondContact CG2-O 3.22Å; V141-Q277 HydrophobicContact CG2-CB 4.16Å; V141-Q277 HydrophobicContact CG2-CG 3.88Å
142V94.5Very high89.2Confident9 Ų931 Ų316%0.05515%0.154CC..Hα-helixtrans-64.1-47178.6176.70000110.9I87 P138 L139 D140 Q144 H145 I146 I194 I198 F208I87-V142 HydrophobicContact CD1-CG1 3.71Å; P138-V142 WeakPolarHBondContact O-CG2 3.09Å; P138-V142 PolarHBondContact O-N 3.15Å; P138-V142 VanDerWaalsContact O-N 3.09Å; L139-V142 PolarHBondContact O-N 3.4Å; D140-V142 PolarHBondContact O-N 2.83Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-Q144 PolarHBondContact O-N 3.3Å; V142-H145 PolarHBondContact O-N 3.16Å; V142-I146 HydrophobicContact CG1-CD1 4.15Å; V142-I146 WeakPolarHBondContact O-CG1 3.3Å; V142-I146 PolarHBondContact O-N 2.85Å; V142-I146 VanDerWaalsContact O-N 3.16Å; V142-I194 HydrophobicContact CG1-CG2 4.22Å; V142-I198 HydrophobicContact CG2-CD1 4.32Å; V142-F208 HydrophobicContact CG2-CD1 4.14Å; V142-F208 HydrophobicContact CG2-CE1 3.81Å
143S94.3Very high87.7Confident1 Ų133.7 Ų33.71%0.00717%0.173CC..Hα-helixtrans-59.6-44.1-179.6-169.60000111.7G84 L139 D140 H145 I146 M147G84-S143 PolarHBondContact O-OG 3.45Å; L139-S143 WeakPolarHBondContact O-CB 3.2Å; L139-S143 PolarHBondContact O-N 3.38Å; D140-S143 PolarHBondContact O-N 3.28Å; S143-H145 PolarHBondContact O-N 2.87Å; S143-I146 WeakPolarHBondContact O-CB 3.49Å; S143-I146 PolarHBondContact O-N 2.84Å; S143-I146 VanDerWaalsContact O-N 3.1Å; S143-M147 WeakPolarHBondContact O-CG 3.42Å; S143-M147 PolarHBondContact O-N 2.98Å
144Q94Very high85.6Confident6 Ų640.5 Ų40.53%0.02821%0.209CC..Hα-helixtrans-64.1-39.6179.4-74.3-178.9-3.600113.2T51 D140 V142 I146 M147 V148 R273 V278T51-Q144 HydrophobicContact CG2-CB 4.45Å; T51-Q144 HydrophobicContact CG2-CG 4.24Å; D140-Q144 WeakPolarHBondContact O-CB 3.47Å; D140-Q144 VanDerWaalsContact O-CG 3.25Å; D140-Q144 WeakPolarHBondContact O-CG 3.4Å; D140-Q144 PolarHBondContact O-N 3.18Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-Q144 PolarHBondContact O-N 3.3Å; Q144-I146 VanDerWaalsContact C-N 3.26Å; Q144-I146 PolarHBondContact O-N 3.32Å; Q144-M147 PolarHBondContact O-N 3.29Å; Q144-V148 WeakPolarHBondContact O-CB 3.25Å; Q144-V148 VanDerWaalsContact O-CG2 3.26Å; Q144-V148 WeakPolarHBondContact O-CG2 3.44Å; Q144-V148 PolarHBondContact O-N 2.98Å; Q144-R273 VanDerWaalsContact NE2-NH1 3.1Å; Q144-V278 HydrophobicContact CB-CG2 3.53Å; Q144-V278 HydrophobicContact CG-CG2 4.45Å
145H93.5Very high83.5Confident5 Ų540.1 Ų40.12%0.02321%0.211CC..Hα-helixtrans-63.3-35.5174-73.584.4000111.6V141 V142 S143 Y149 L176 I194 Q277 R280V141-H145 PolarHBondContact O-N 3.1Å; V141-H145 PolarHBondContact O-ND1 2.68Å; V142-H145 PolarHBondContact O-N 3.16Å; S143-H145 PolarHBondContact O-N 2.87Å; H145-Y149 WeakPolarHBondContact O-CB 3.27Å; H145-Y149 PolarHBondContact O-N 3.47Å; H145-L176 HydrophobicContact CB-CD1 4.47Å; H145-L176 WeakPolarHBondContact CD2-CD1 3.28Å; H145-I194 HydrophobicContact CB-CD1 3.88Å; H145-I194 HydrophobicContact CB-CG1 4.28Å; H145-I194 HydrophobicContact CB-CG2 3.87Å; H145-Q277 PolarHBondContact CE1-O 3.3Å; H145-R280 PolarHBondContact NE2-NE 3.44Å; H145-R280 VanDerWaalsContact NE2-NE 3.15Å
146I94.1Very high81.5Confident13 Ų1340 Ų407%0.06723%0.225CC..Hα-helixtrans-68.4-42.7174.3-63.3173.2000111.4R83 G84 I87 V142 S143 Q144 V148 Y149 L190 I194R83-I146 HydrophobicContact CB-CG2 3.83Å; G84-I146 VanDerWaalsContact N-CG2 3.26Å; I87-I146 HydrophobicContact CD1-CD1 3.29Å; I87-I146 HydrophobicContact CG1-CD1 4.32Å; V142-I146 HydrophobicContact CG1-CD1 4.15Å; V142-I146 WeakPolarHBondContact O-CG1 3.3Å; V142-I146 PolarHBondContact O-N 2.85Å; V142-I146 VanDerWaalsContact O-N 3.16Å; S143-I146 WeakPolarHBondContact O-CB 3.49Å; S143-I146 PolarHBondContact O-N 2.84Å; S143-I146 VanDerWaalsContact O-N 3.1Å; Q144-I146 VanDerWaalsContact C-N 3.26Å; Q144-I146 PolarHBondContact O-N 3.32Å; I146-V148 VanDerWaalsContact C-N 3.26Å; I146-V148 PolarHBondContact O-N 3.13Å; I146-Y149 PolarHBondContact O-N 3.29Å; I146-L190 HydrophobicContact CG1-CD2 4.4Å; I146-L190 HydrophobicContact CG2-CD2 4.19Å; I146-I194 HydrophobicContact CB-CD1 4.31Å; I146-I194 HydrophobicContact CD1-CD1 4.33Å; I146-I194 HydrophobicContact CG1-CD1 3.29Å
147M92.7Very high79.5Confident5 Ų540.8 Ų40.83%0.02524%0.24CC..Hα-helixtrans-60.7-37.3178-68.5178.3-178.900111.7Y44 T47 V48 T51 R52 R83 S143 Q144Y44-M147 HydrophobicContact CE2-CE 3.68Å; Y44-M147 WeakPolarHBondContact OH-CE 3.15Å; T47-M147 HydrophobicContact CG2-CE 3.86Å; T47-M147 HydrophobicContact CG2-SD 4.37Å; V48-M147 HydrophobicContact CG1-CB 4.46Å; V48-M147 HydrophobicContact CG2-CG 4.07Å; T51-M147 HydrophobicContact CG2-CB 4.31Å; T51-M147 HydrophobicContact CG2-SD 4.11Å; T51-M147 PolarHBondContact OG1-SD 2.87Å; R52-M147 PolarHBondContact NE-O 3.49Å; R52-M147 PolarHBondContact NH2-O 3.44Å; R52-M147 VanDerWaalsContact NH2-O 3.1Å; R83-M147 WeakPolarHBondContact O-CG 3.48Å; S143-M147 WeakPolarHBondContact O-CG 3.42Å; S143-M147 PolarHBondContact O-N 2.98Å; Q144-M147 PolarHBondContact O-N 3.29Å
148V89.9Confident77.5Confident9 Ų943.6 Ų43.66%0.05527%0.269CS..Hα-helixtrans-85.3-24.6-177.3176.50000112.3T51 V55 Q144 I146 R150 L173 V278T51-V148 HydrophobicContact CG2-CG2 3.9Å; V55-V148 HydrophobicContact CB-CG2 4.5Å; V55-V148 HydrophobicContact CG2-CB 4.28Å; V55-V148 HydrophobicContact CG2-CG1 3.9Å; V55-V148 HydrophobicContact CG2-CG2 3.31Å; Q144-V148 WeakPolarHBondContact O-CB 3.25Å; Q144-V148 VanDerWaalsContact O-CG2 3.26Å; Q144-V148 WeakPolarHBondContact O-CG2 3.44Å; Q144-V148 PolarHBondContact O-N 2.98Å; I146-V148 VanDerWaalsContact C-N 3.26Å; I146-V148 PolarHBondContact O-N 3.13Å; V148-R150 WeakPolarHBondContact O-CG 3.48Å; V148-R150 PolarHBondContact O-N 3.25Å; V148-L173 HydrophobicContact CG1-CD2 3.7Å; V148-L173 HydrophobicContact CG1-CG 4.09Å; V148-V278 HydrophobicContact CB-CG1 4.3Å; V148-V278 HydrophobicContact CG1-CG1 4.13Å; V148-V278 HydrophobicContact CG2-CG1 4.14Å; V148-V278 HydrophobicContact CG2-CG2 4.3Å
149Y89.2Confident75.3Confident18 Ų1853.4 Ų53.47%0.07130%0.303CS..  trans-58.5129.9178173.8-106.9000112.2R83 H145 I146 L178 K179 L182 L190R83-Y149 PolarHBondContact NH1-O 3.46Å; H145-Y149 WeakPolarHBondContact O-CB 3.27Å; H145-Y149 PolarHBondContact O-N 3.47Å; I146-Y149 PolarHBondContact O-N 3.29Å; Y149-L178 HydrophobicContact CD2-CB 3.74Å; Y149-L178 HydrophobicContact CD2-CD1 3.89Å; Y149-L178 HydrophobicContact CD2-CG 4.46Å; Y149-L178 HydrophobicContact CE2-CB 3.82Å; Y149-L178 HydrophobicContact CG-CD1 4.32Å; Y149-K179 HydrophobicContact CE2-CG 4.15Å; Y149-L182 WeakPolarHBondContact OH-CD2 3.26Å; Y149-L190 HydrophobicContact CD1-CD1 4.15Å; Y149-L190 HydrophobicContact CD1-CD2 3.38Å; Y149-L190 HydrophobicContact CD1-CG 4.42Å; Y149-L190 HydrophobicContact CD2-CD1 4.45Å; Y149-L190 HydrophobicContact CE1-CD1 4.32Å; Y149-L190 HydrophobicContact CE1-CD2 3.98Å; Y149-L190 HydrophobicContact CG-CD1 4.23Å; Y149-L190 HydrophobicContact CG-CD2 3.92Å
150R81.4Confident73.3Confident32 Ų3259.2 Ų59.212%0.12133%0.327CS..  trans-118.3126.6-178-45.8-178.769.2153.2-2.6108.9Y62 E76 V148Y62-R150 PolarHBondContact OH-NH1 3.38Å; Y62-R150 PolarHBondContact OH-NH2 2.84Å; E76-R150 IonicContact OE1-CZ 3.86Å; E76-R150 IonicContact OE1-NE 2.57Å; E76-R150 PolarHBondContact OE1-NE 2.94Å; E76-R150 IonicContact OE1-NH2 2.67Å; E76-R150 PolarHBondContact OE1-NH2 2.99Å; V148-R150 WeakPolarHBondContact O-CG 3.48Å; V148-R150 PolarHBondContact O-N 3.25Å
151K75.8Confident71.1Confident139 Ų13963.1 Ų63.160%0.60435%0.348SS*.PPolyproline II helixtrans-79.7135.8172.3-175.6175.7-178.8178.40107.6S153K151-S153 PolarHBondContact O-N 2.72Å; K151-S153 VanDerWaalsContact O-N 3.11Å
152D66.9Low69Low100 Ų10070 Ų7054%0.53538%0.377SS..PPolyproline II helixtrans-55.4119171.9-69.4-45.8000109.1L154 K179D152-L154 PolarHBondContact O-N 3.45Å; D152-K179 WeakPolarHBondContact OD1-CE 3.45Å; D152-K179 IonicContact OD1-NZ 2.72Å; D152-K179 PolarHBondContact OD1-NZ 3.31Å; D152-K179 IonicContact OD2-NZ 3.09Å
153S54.3Low66.8Low63 Ų6374.2 Ų74.244%0.44140%0.403SS..PPolyproline II helixtrans-69.8124.9171.7-52.30000107.8Q75 K151Q75-S153 PolarHBondContact O-OG 3.01Å; K151-S153 PolarHBondContact O-N 2.72Å; K151-S153 VanDerWaalsContact O-N 3.11Å
154L45.8Very low64.4Low163 Ų16378.9 Ų78.985%0.85343%0.428SS*.PPolyproline II helixtrans-52.2126.7151.2-82.6148.6000106.3D152 A156D152-L154 PolarHBondContact O-N 3.45Å; L154-A156 PolarHBondContact O-N 2.72Å
155P46Very low62Low77 Ų7780.7 Ų80.750%0.545%0.447SS..  trans-59.8105.5178.821.1-29.8000108.6G157P155-G157 PolarHBondContact O-N 2.9Å
156A45.4Very low59.6Low96 Ų9683.8 Ų83.879%0.79347%0.474SS*.SBendtrans-69.990.2163.500000106.6L154L154-A156 PolarHBondContact O-N 2.72Å
157G44.6Very low57.2Low40 Ų4088.3 Ų88.341%0.41250%0.503SS..SBendtrans141.2144.4175.700000113.2P155P155-G157 PolarHBondContact O-N 2.9Å
158G50.4Low54.8Low60 Ų6089.8 Ų89.862%0.61952%0.515SS*.  trans-53.5172.4-175.500000115.1F160 N161G158-F160 PolarHBondContact O-N 2.75Å; G158-N161 PolarHBondContact O-N 3.19Å
159R48.8Very low52.7Low229 Ų22992.5 Ų92.586%0.86454%0.539SS*.Hα-helixtrans-40.7-30-173.6-163.4173.9-178.6175.1-0.3115.2K162R159-K162 WeakPolarHBondContact O-CB 3.42Å; R159-K162 PolarHBondContact O-N 3.31Å
160F51.3Low50.5Low170 Ų17094.1 Ų94.175%0.74655%0.553SS**Hα-helixtrans-66.6-42.5178.2-153.1-97.1000114.1G158 K162 V163 L164G158-F160 PolarHBondContact O-N 2.75Å; F160-K162 PolarHBondContact O-N 2.96Å; F160-V163 PolarHBondContact O-N 3.16Å; F160-L164 HydrophobicContact CD1-CD1 4.4Å; F160-L164 HydrophobicContact CE1-CD1 4.3Å; F160-L164 PolarHBondContact O-N 3.44Å
161N47.3Very low49.2Very low90 Ų9096.5 Ų96.548%0.48158%0.58SS.*Hα-helixtrans-70.7-19.4176.7-95.3-2.7000112.6G158 V163 G165G158-N161 PolarHBondContact O-N 3.19Å; N161-V163 VanDerWaalsContact C-N 3.35Å; N161-G165 WeakPolarHBondContact O-CA 3.47Å; N161-G165 PolarHBondContact O-N 2.96Å
162K48.3Very low48.6Very low144 Ų14493.9 Ų93.963%0.62657%0.569SS**Hα-helixtrans-67.8-36.7175.7-146.4177.2-173.2179.50111.4R159 F160 A166R159-K162 WeakPolarHBondContact O-CB 3.42Å; R159-K162 PolarHBondContact O-N 3.31Å; F160-K162 PolarHBondContact O-N 2.96Å; K162-A166 WeakPolarHBondContact O-CB 3.26Å; K162-A166 PolarHBondContact O-N 3.46Å
163V49.2Very low49Very low99 Ų9991.3 Ų91.360%0.656%0.555SS**Hα-helixtrans-71.7-43.7177.9-1780000110.8F160 N161 A166 T167F160-V163 PolarHBondContact O-N 3.16Å; N161-V163 VanDerWaalsContact C-N 3.35Å; V163-A166 PolarHBondContact O-N 2.86Å; V163-T167 PolarHBondContact O-N 3.23Å; V163-T167 PolarHBondContact O-OG1 3.07Å
164L42.7Very low50.3Low99 Ų9990 Ų9052%0.51854%0.543SS..Hα-helixtrans-70.3-33.9174.1-74.5168.4000112.6F160 T167 A168F160-L164 HydrophobicContact CD1-CD1 4.4Å; F160-L164 HydrophobicContact CE1-CD1 4.3Å; F160-L164 PolarHBondContact O-N 3.44Å; L164-T167 WeakPolarHBondContact CA-OG1 3.33Å; L164-T167 PolarHBondContact O-N 2.99Å; L164-T167 PolarHBondContact O-OG1 3.31Å; L164-A168 VanDerWaalsContact O-CB 3.26Å; L164-A168 WeakPolarHBondContact O-CB 3.5Å; L164-A168 PolarHBondContact O-N 3.2Å
165G44.1Very low52Low43 Ų4383.7 Ų83.744%0.44351%0.512SS..Hα-helixtrans-66-38.3174.600000112.6N161 A168 A169N161-G165 WeakPolarHBondContact O-CA 3.47Å; N161-G165 PolarHBondContact O-N 2.96Å; G165-A168 CarbonylContact O-C 3.23Å; G165-A168 PolarHBondContact O-N 2.88Å; G165-A169 PolarHBondContact O-N 2.99Å; G165-A169 VanDerWaalsContact O-N 3.13Å
166A43.4Very low53.9Low71 Ų7180 Ų8059%0.58749%0.489SS*.Hα-helixtrans-67.3-37175.800000112.5K162 V163 A169K162-A166 WeakPolarHBondContact O-CB 3.26Å; K162-A166 PolarHBondContact O-N 3.46Å; V163-A166 PolarHBondContact O-N 2.86Å; A166-A169 VanDerWaalsContact O-CB 3.25Å; A166-A169 WeakPolarHBondContact O-CB 3.26Å; A166-A169 PolarHBondContact O-N 2.7Å
167T43Very low55.9Low108 Ų10879.3 Ų79.366%0.66347%0.471SS*.Hα-helixtrans-75.3-28.6173.654.60000112.3V163 L164 A169V163-T167 PolarHBondContact O-N 3.23Å; V163-T167 PolarHBondContact O-OG1 3.07Å; L164-T167 WeakPolarHBondContact CA-OG1 3.33Å; L164-T167 PolarHBondContact O-N 2.99Å; L164-T167 PolarHBondContact O-OG1 3.31Å; T167-A169 PolarHBondContact O-N 2.83Å
168A43.7Very low58Low35 Ų3577.6 Ų77.629%0.28945%0.453SS..THydrogen-bonded Turntrans-80.710.2170.300000113.8K61 L164 G165 S170K61-A168 WeakPolarHBondContact CE-O 3.31Å; K61-A168 PolarHBondContact NZ-O 3.15Å; L164-A168 VanDerWaalsContact O-CB 3.26Å; L164-A168 WeakPolarHBondContact O-CB 3.5Å; L164-A168 PolarHBondContact O-N 3.2Å; G165-A168 CarbonylContact O-C 3.23Å; G165-A168 PolarHBondContact O-N 2.88Å; A168-S170 PolarHBondContact O-N 2.88Å; A168-S170 PolarHBondContact O-OG 3.45Å
169A44.5Very low59.7Low66 Ų6677.2 Ų77.255%0.54543%0.434SS..  trans-69.443.6163.400000110.9G165 A166 T167 A171G165-A169 PolarHBondContact O-N 2.99Å; G165-A169 VanDerWaalsContact O-N 3.13Å; A166-A169 VanDerWaalsContact O-CB 3.25Å; A166-A169 WeakPolarHBondContact O-CB 3.26Å; A166-A169 PolarHBondContact O-N 2.7Å; T167-A169 PolarHBondContact O-N 2.83Å; A169-A171 PolarHBondContact O-N 3.02Å
170S44.6Very low61.6Low52 Ų5272.1 Ų72.136%0.36442%0.423SS..  trans-52.8123.1162.7-21.90000106.7K61 A168 E172K61-S170 VanDerWaalsContact CE-OG 3.23Å; K61-S170 WeakPolarHBondContact CE-OG 3.37Å; K61-S170 PolarHBondContact NZ-O 3.15Å; A168-S170 PolarHBondContact O-N 2.88Å; A168-S170 PolarHBondContact O-OG 3.45Å; S170-E172 PolarHBondContact O-N 3.15Å
171A52.2Low63.3Low83 Ų8365.1 Ų65.169%0.68640%0.395SS*.  trans-22.395.5-174.300000112.4A169 L173A169-A171 PolarHBondContact O-N 3.02Å; A171-L173 PolarHBondContact O-N 3.3Å
172E64.9Low65.4Low84 Ų8463.2 Ų63.239%0.39339%0.385SS..  trans-69.6125.3178.7-67.6-168.8159.400108.7K61 S170 D174 K179K61-E172 IonicContact NZ-OE1 3.22Å; S170-E172 PolarHBondContact O-N 3.15Å; E172-D174 PolarHBondContact O-N 3.07Å; E172-K179 IonicContact OE2-NZ 3.44Å; E172-K179 PolarHBondContact OE2-NZ 3.31Å
173L75.4Confident67.3Low45 Ų4565 Ų6524%0.23639%0.393CS..  trans-70.298.9179.9-18059.9000110.1V55 V148 A171 P175 V278 N279V55-L173 HydrophobicContact CB-CD2 4.02Å; V55-L173 HydrophobicContact CG2-CD2 3.81Å; V55-L173 VanDerWaalsContact O-CD2 3.31Å; V55-L173 WeakPolarHBondContact O-CD2 3.11Å; V148-L173 HydrophobicContact CG1-CD2 3.7Å; V148-L173 HydrophobicContact CG1-CG 4.09Å; A171-L173 PolarHBondContact O-N 3.3Å; L173-P175 HydrophobicContact CD1-CG 4.39Å; L173-V278 HydrophobicContact CD2-CG1 4.22Å; L173-N279 WeakPolarHBondContact CD1-OD1 3.28Å; L173-N279 WeakPolarHBondContact CD2-OD1 3.27Å
174D81.3Confident69.3Low35 Ų3569.9 Ų69.919%0.18740%0.4CS..  trans-126.973.2170.2-170.95.6000110.5E172 L176 N177 L178 K179E172-D174 PolarHBondContact O-N 3.07Å; D174-L176 PolarHBondContact O-N 3.5Å; D174-L176 VanDerWaalsContact O-N 3.11Å; D174-N177 PolarHBondContact O-N 2.82Å; D174-N177 WeakPolarHBondContact OD1-CA 3.01Å; D174-N177 PolarHBondContact OD1-N 2.9Å; D174-N177 VanDerWaalsContact OD1-N 3.09Å; D174-N177 VanDerWaalsContact OD2-C 3.28Å; D174-N177 VanDerWaalsContact OD2-CA 3.3Å; D174-N177 WeakPolarHBondContact OD2-CA 3.19Å; D174-L178 VanDerWaalsContact CG-N 3.33Å; D174-L178 PolarHBondContact OD1-N 3.37Å; D174-L178 PolarHBondContact OD2-N 3.36Å; D174-K179 PolarHBondContact OD2-N 3.28Å
175P81.1Confident71.7Confident32 Ų3267.3 Ų67.321%0.20839%0.387CS..THydrogen-bonded Turntrans-65.6-18.8-171.927.1-35.3000113.5L173 R201 V278 R280L173-P175 HydrophobicContact CD1-CG 4.39Å; P175-R201 PolarHBondContact O-NH1 2.79Å; P175-V278 HydrophobicContact CG-CG1 4.24Å; P175-R280 HydrophobicContact CB-CB 4.4Å
176L86.4Confident73.9Confident0 Ų069.5 Ų69.50%039%0.393CS..THydrogen-bonded Turntrans-109.75.5-178.7-67.6179.6000112.8H145 D174 L178 I194 E197 I198 R201H145-L176 HydrophobicContact CB-CD1 4.47Å; H145-L176 WeakPolarHBondContact CD2-CD1 3.28Å; D174-L176 PolarHBondContact O-N 3.5Å; D174-L176 VanDerWaalsContact O-N 3.11Å; L176-L178 HydrophobicContact CB-CD1 4.38Å; L176-L178 HydrophobicContact CB-CD2 3.71Å; L176-L178 HydrophobicContact CB-CG 3.74Å; L176-L178 HydrophobicContact CD1-CD2 4.29Å; L176-L178 PolarHBondContact O-N 3.03Å; L176-I194 HydrophobicContact CD1-CB 4.48Å; L176-I194 HydrophobicContact CD1-CG1 4.38Å; L176-I194 HydrophobicContact CD1-CG2 4Å; L176-E197 HydrophobicContact CB-CB 4.45Å; L176-E197 HydrophobicContact CB-CG 4.08Å; L176-E197 HydrophobicContact CD2-CB 4.3Å; L176-E197 HydrophobicContact CD2-CG 3.96Å; L176-E197 HydrophobicContact CG-CG 4.5Å; L176-I198 HydrophobicContact CD1-CG1 3.98Å; L176-R201 VanDerWaalsContact C-NH2 3.33Å; L176-R201 VanDerWaalsContact CA-NH1 3.33Å; L176-R201 PolarHBondContact O-NH2 3.34Å
177N86.2Confident76.3Confident81 Ų8173.4 Ų73.443%0.43340%0.404SS..  trans50.638.6-173.9-57.6-46.1000112.5D174 K179 L180 C181 R201D174-N177 PolarHBondContact O-N 2.82Å; D174-N177 WeakPolarHBondContact OD1-CA 3.01Å; D174-N177 PolarHBondContact OD1-N 2.9Å; D174-N177 VanDerWaalsContact OD1-N 3.09Å; D174-N177 VanDerWaalsContact OD2-C 3.28Å; D174-N177 VanDerWaalsContact OD2-CA 3.3Å; D174-N177 WeakPolarHBondContact OD2-CA 3.19Å; N177-K179 PolarHBondContact O-N 3.13Å; N177-L180 PolarHBondContact O-N 3.22Å; N177-L180 VanDerWaalsContact O-N 3.11Å; N177-C181 PolarHBondContact O-N 2.59Å; N177-C181 VanDerWaalsContact O-N 3.12Å; N177-C181 PolarHBondContact O-SG 3Å; N177-R201 PolarHBondContact ND2-NH1 2.9Å; N177-R201 PolarHBondContact ND2-NH2 3.2Å; N177-R201 VanDerWaalsContact ND2-NH2 3.15Å
178L89.1Confident78.7Confident4 Ų470.5 Ų70.52%0.02139%0.386CS..Hα-helixtrans-62.2-29.6-172.3-65.3174.2000112.2Y149 D174 L176 L180 C181 L182 L190 I194Y149-L178 HydrophobicContact CD2-CB 3.74Å; Y149-L178 HydrophobicContact CD2-CD1 3.89Å; Y149-L178 HydrophobicContact CD2-CG 4.46Å; Y149-L178 HydrophobicContact CE2-CB 3.82Å; Y149-L178 HydrophobicContact CG-CD1 4.32Å; D174-L178 VanDerWaalsContact CG-N 3.33Å; D174-L178 PolarHBondContact OD1-N 3.37Å; D174-L178 PolarHBondContact OD2-N 3.36Å; L176-L178 HydrophobicContact CB-CD1 4.38Å; L176-L178 HydrophobicContact CB-CD2 3.71Å; L176-L178 HydrophobicContact CB-CG 3.74Å; L176-L178 HydrophobicContact CD1-CD2 4.29Å; L176-L178 PolarHBondContact O-N 3.03Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-C181 PolarHBondContact O-N 3.28Å; L178-L182 VanDerWaalsContact O-CB 3.26Å; L178-L182 WeakPolarHBondContact O-CB 3.48Å; L178-L182 PolarHBondContact O-N 3.34Å; L178-L190 HydrophobicContact CB-CD1 4.47Å; L178-L190 HydrophobicContact CD1-CD1 4.25Å; L178-I194 HydrophobicContact CD1-CD1 3.96Å; L178-I194 HydrophobicContact CD1-CG1 3.68Å; L178-I194 HydrophobicContact CD2-CG1 3.6Å; L178-I194 HydrophobicContact CG-CG1 4.31Å
179K86.8Confident81.1Confident51 Ų5172.1 Ų72.122%0.22239%0.394CS..Hα-helixtrans-60.6-45.8175.5-65.4179.8-179.4-172.90111.7Y149 D152 E172 D174 N177 K183Y149-K179 HydrophobicContact CE2-CG 4.15Å; D152-K179 WeakPolarHBondContact OD1-CE 3.45Å; D152-K179 IonicContact OD1-NZ 2.72Å; D152-K179 PolarHBondContact OD1-NZ 3.31Å; D152-K179 IonicContact OD2-NZ 3.09Å; E172-K179 IonicContact OE2-NZ 3.44Å; E172-K179 PolarHBondContact OE2-NZ 3.31Å; D174-K179 PolarHBondContact OD2-N 3.28Å; N177-K179 PolarHBondContact O-N 3.13Å; K179-K183 WeakPolarHBondContact O-CB 3.35Å; K179-K183 PolarHBondContact O-N 2.93Å
180L87.7Confident83.4Confident123 Ų12370.7 Ų70.764%0.64438%0.377SS*.Hα-helixtrans-67.7-42.5177.6-175.565000110.9N177 L178 L182 K183 R184N177-L180 PolarHBondContact O-N 3.22Å; N177-L180 VanDerWaalsContact O-N 3.11Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L180-L182 VanDerWaalsContact C-N 3.34Å; L180-L182 PolarHBondContact O-N 3.19Å; L180-K183 PolarHBondContact O-N 2.87Å; L180-R184 WeakPolarHBondContact O-CB 3.13Å; L180-R184 PolarHBondContact O-N 3.31Å
181C88.5Confident85.7Confident22 Ų2270 Ų7015%0.14937%0.372CS..Hα-helixtrans-61.3-41.5178.3-660000112.5N177 L178 R184 N185N177-C181 PolarHBondContact O-N 2.59Å; N177-C181 VanDerWaalsContact O-N 3.12Å; N177-C181 PolarHBondContact O-SG 3Å; L178-C181 PolarHBondContact O-N 3.28Å; C181-R184 PolarHBondContact O-N 2.79Å; C181-N185 PolarHBondContact O-N 2.86Å; C181-N185 PolarHBondContact O-ND2 3.12Å; C181-N185 VanDerWaalsContact O-ND2 3.14Å
182L89.5Confident87.8Confident51 Ų5170.9 Ų70.927%0.26737%0.365SS..Hα-helixtrans-71.6-38.3177.9-169.569.8000111.7Y149 L178 L180 R184 N185 P186 L193Y149-L182 WeakPolarHBondContact OH-CD2 3.26Å; L178-L182 VanDerWaalsContact O-CB 3.26Å; L178-L182 WeakPolarHBondContact O-CB 3.48Å; L178-L182 PolarHBondContact O-N 3.34Å; L180-L182 VanDerWaalsContact C-N 3.34Å; L180-L182 PolarHBondContact O-N 3.19Å; L182-R184 VanDerWaalsContact C-N 3.25Å; L182-R184 PolarHBondContact O-N 3.3Å; L182-N185 CarbonylContact O-C 3.57Å; L182-N185 VanDerWaalsContact O-C 3.23Å; L182-N185 PolarHBondContact O-N 3.44Å; L182-P186 WeakPolarHBondContact O-CA 3.4Å; L182-L193 HydrophobicContact CB-CD1 4.23Å; L182-L193 HydrophobicContact CD1-CD1 3.69Å
183K89.6Confident89.2Confident182 Ų18267.1 Ų67.179%0.79135%0.347SS*.Hα-helixtrans-61.4-36.1172.7-173.5177.3-179.8-178.90111.8K179 L180K179-K183 WeakPolarHBondContact O-CB 3.35Å; K179-K183 PolarHBondContact O-N 2.93Å; L180-K183 PolarHBondContact O-N 2.87Å
184R91.7Very high90.1Very high200 Ų20065 Ų6576%0.75534%0.336SS*.Hα-helixtrans-77.3-31177.6-175.4176.9178.11703.6113.2L180 C181 L182L180-R184 WeakPolarHBondContact O-CB 3.13Å; L180-R184 PolarHBondContact O-N 3.31Å; C181-R184 PolarHBondContact O-N 2.79Å; L182-R184 VanDerWaalsContact C-N 3.25Å; L182-R184 PolarHBondContact O-N 3.3Å
185N92.1Very high90.8Very high45 Ų4565.2 Ų65.224%0.24134%0.34CS..  trans-135.174.9-176.4-51.8-96.4000109.6C181 L182 D187 V188 L193C181-N185 PolarHBondContact O-N 2.86Å; C181-N185 PolarHBondContact O-ND2 3.12Å; C181-N185 VanDerWaalsContact O-ND2 3.14Å; L182-N185 CarbonylContact O-C 3.57Å; L182-N185 VanDerWaalsContact O-C 3.23Å; L182-N185 PolarHBondContact O-N 3.44Å; N185-D187 VanDerWaalsContact C-N 3.29Å; N185-D187 PolarHBondContact O-N 2.92Å; N185-V188 HydrophobicContact CB-CB 4.22Å; N185-V188 HydrophobicContact CB-CG2 3.82Å; N185-V188 PolarHBondContact O-N 2.72Å; N185-L193 HydrophobicContact CB-CD2 4.2Å
186P90.5Very high91.5Very high89 Ų8970.3 Ų70.358%0.57836%0.355SS*.THydrogen-bonded Turntrans-66.7-29.3-173.726.5-34.7000113.3L182 V188L182-P186 WeakPolarHBondContact O-CA 3.4Å; P186-V188 VanDerWaalsContact C-N 3.32Å; P186-V188 PolarHBondContact O-N 3.21Å
187D93.7Very high91.8Very high154 Ų15471.3 Ų71.382%0.82436%0.36SS*.THydrogen-bonded Turntrans-80.8-13.2-176.3-51.5-49.8000113.3N185N185-D187 VanDerWaalsContact C-N 3.29Å; N185-D187 PolarHBondContact O-N 2.92Å
188V93.8Very high92.1Very high47 Ų4767.4 Ų67.429%0.28534%0.339SS..SBendtrans-86128.9-176.9-176.60000109.6N185 P186 L192 L193N185-V188 HydrophobicContact CB-CB 4.22Å; N185-V188 HydrophobicContact CB-CG2 3.82Å; N185-V188 PolarHBondContact O-N 2.72Å; P186-V188 VanDerWaalsContact C-N 3.32Å; P186-V188 PolarHBondContact O-N 3.21Å; V188-L192 HydrophobicContact CG1-CB 4.02Å; V188-L193 HydrophobicContact CB-CD1 4.44Å; V188-L193 HydrophobicContact CB-CD2 3.86Å; V188-L193 HydrophobicContact CB-CG 4Å; V188-L193 HydrophobicContact CG1-CD2 3.66Å; V188-L193 HydrophobicContact CG1-CG 3.72Å
189P93.4Very high92.3Very high69 Ų6974.5 Ų74.545%0.44837%0.366SS..  trans-63.3143.1178.926.6-35000111.2S191 L192 L193P189-S191 PolarHBondContact O-N 3.22Å; P189-S191 VanDerWaalsContact O-N 3.13Å; P189-L192 HydrophobicContact CG-CB 4.07Å; P189-L192 HydrophobicContact CG-CD1 3.57Å; P189-L192 HydrophobicContact CG-CG 3.77Å; P189-L192 PolarHBondContact O-N 3.42Å; P189-L193 PolarHBondContact O-N 3.06Å; P189-L193 VanDerWaalsContact O-N 3.12Å
190L92.8Very high92.5Very high35 Ų3580.7 Ų80.718%0.18339%0.388CS..Hα-helixtrans-53.7-37.6-175.6179.864.1000113.2I146 Y149 L178 L193 I194I146-L190 HydrophobicContact CG1-CD2 4.4Å; I146-L190 HydrophobicContact CG2-CD2 4.19Å; Y149-L190 HydrophobicContact CD1-CD1 4.15Å; Y149-L190 HydrophobicContact CD1-CD2 3.38Å; Y149-L190 HydrophobicContact CD1-CG 4.42Å; Y149-L190 HydrophobicContact CD2-CD1 4.45Å; Y149-L190 HydrophobicContact CE1-CD1 4.32Å; Y149-L190 HydrophobicContact CE1-CD2 3.98Å; Y149-L190 HydrophobicContact CG-CD1 4.23Å; Y149-L190 HydrophobicContact CG-CD2 3.92Å; L178-L190 HydrophobicContact CB-CD1 4.47Å; L178-L190 HydrophobicContact CD1-CD1 4.25Å; L190-L193 PolarHBondContact O-N 2.92Å; L190-I194 HydrophobicContact CD1-CD1 4.18Å; L190-I194 HydrophobicContact CD1-CG1 4.43Å; L190-I194 HydrophobicContact CG-CD1 3.9Å; L190-I194 VanDerWaalsContact O-CG1 3.32Å; L190-I194 WeakPolarHBondContact O-CG1 2.87Å; L190-I194 PolarHBondContact O-N 3.01Å
191S93.5Very high92.4Very high37 Ų3779 Ų7926%0.25937%0.373SS..Hα-helixtrans-60.8-44.8177.9540000112.4P189 I194 C195P189-S191 PolarHBondContact O-N 3.22Å; P189-S191 VanDerWaalsContact O-N 3.13Å; S191-I194 PolarHBondContact O-N 2.93Å; S191-C195 PolarHBondContact O-N 3Å; S191-C195 PolarHBondContact O-SG 3.23Å
192L95.3Very high92.3Very high103 Ų10379.2 Ų79.254%0.53937%0.373SS..Hα-helixtrans-69.4-36.3177.3-67.4-177.3000111.8V188 P189 I194 C195 R196V188-L192 HydrophobicContact CG1-CB 4.02Å; P189-L192 HydrophobicContact CG-CB 4.07Å; P189-L192 HydrophobicContact CG-CD1 3.57Å; P189-L192 HydrophobicContact CG-CG 3.77Å; P189-L192 PolarHBondContact O-N 3.42Å; L192-I194 VanDerWaalsContact C-N 3.34Å; L192-C195 PolarHBondContact O-N 3.43Å; L192-R196 VanDerWaalsContact O-CB 3.27Å; L192-R196 WeakPolarHBondContact O-CB 3.27Å; L192-R196 PolarHBondContact O-N 3.46Å
193L94.8Very high92.3Very high5 Ų578.1 Ų78.13%0.02637%0.374CS..Hα-helixtrans-61.6-43.1173.3-70.2178.4000111.7L182 N185 V188 P189 L190 R196 E197L182-L193 HydrophobicContact CB-CD1 4.23Å; L182-L193 HydrophobicContact CD1-CD1 3.69Å; N185-L193 HydrophobicContact CB-CD2 4.2Å; V188-L193 HydrophobicContact CB-CD1 4.44Å; V188-L193 HydrophobicContact CB-CD2 3.86Å; V188-L193 HydrophobicContact CB-CG 4Å; V188-L193 HydrophobicContact CG1-CD2 3.66Å; V188-L193 HydrophobicContact CG1-CG 3.72Å; P189-L193 PolarHBondContact O-N 3.06Å; P189-L193 VanDerWaalsContact O-N 3.12Å; L190-L193 PolarHBondContact O-N 2.92Å; L193-R196 PolarHBondContact O-N 2.71Å; L193-E197 WeakPolarHBondContact O-CB 3.3Å; L193-E197 PolarHBondContact O-N 2.9Å
194I94.9Very high92.4Very high0 Ų074.8 Ų74.80%036%0.36CS..Hα-helixtrans-62.4-49.8175.1-72.1163.6000110.3V142 H145 I146 L176 L178 L190 S191 L192 R196 E197 I198V142-I194 HydrophobicContact CG1-CG2 4.22Å; H145-I194 HydrophobicContact CB-CD1 3.88Å; H145-I194 HydrophobicContact CB-CG1 4.28Å; H145-I194 HydrophobicContact CB-CG2 3.87Å; I146-I194 HydrophobicContact CB-CD1 4.31Å; I146-I194 HydrophobicContact CD1-CD1 4.33Å; I146-I194 HydrophobicContact CG1-CD1 3.29Å; L176-I194 HydrophobicContact CD1-CB 4.48Å; L176-I194 HydrophobicContact CD1-CG1 4.38Å; L176-I194 HydrophobicContact CD1-CG2 4Å; L178-I194 HydrophobicContact CD1-CD1 3.96Å; L178-I194 HydrophobicContact CD1-CG1 3.68Å; L178-I194 HydrophobicContact CD2-CG1 3.6Å; L178-I194 HydrophobicContact CG-CG1 4.31Å; L190-I194 HydrophobicContact CD1-CD1 4.18Å; L190-I194 HydrophobicContact CD1-CG1 4.43Å; L190-I194 HydrophobicContact CG-CD1 3.9Å; L190-I194 VanDerWaalsContact O-CG1 3.32Å; L190-I194 WeakPolarHBondContact O-CG1 2.87Å; L190-I194 PolarHBondContact O-N 3.01Å; S191-I194 PolarHBondContact O-N 2.93Å; L192-I194 VanDerWaalsContact C-N 3.34Å; I194-R196 VanDerWaalsContact C-N 3.31Å; I194-R196 PolarHBondContact O-N 2.94Å; I194-E197 PolarHBondContact O-N 3.25Å; I194-E197 VanDerWaalsContact O-N 3.16Å; I194-I198 HydrophobicContact CG2-CD1 3.56Å; I194-I198 HydrophobicContact CG2-CG1 4.19Å; I194-I198 WeakPolarHBondContact O-CB 3.17Å; I194-I198 VanDerWaalsContact O-CG1 3.23Å; I194-I198 WeakPolarHBondContact O-CG1 3.44Å; I194-I198 PolarHBondContact O-N 3.16Å
195C95.9Very high92.3Very high39 Ų3971.2 Ų71.226%0.26436%0.355SS..Hα-helixtrans-56.8-45.7177.8-69.50000111.9S191 L192 E197 I198 Y199 F208S191-C195 PolarHBondContact O-N 3Å; S191-C195 PolarHBondContact O-SG 3.23Å; L192-C195 PolarHBondContact O-N 3.43Å; C195-E197 VanDerWaalsContact C-N 3.34Å; C195-E197 PolarHBondContact O-N 3.37Å; C195-I198 PolarHBondContact O-N 2.99Å; C195-Y199 WeakPolarHBondContact O-CB 3.47Å; C195-Y199 PolarHBondContact O-N 2.9Å; C195-F208 HydrophobicContact CB-CE1 4.26Å; C195-F208 HydrophobicContact CB-CZ 3.96Å
196R95.3Very high92.1Very high139 Ų13977.5 Ų77.553%0.52538%0.38SS..Hα-helixtrans-60.1-43.7177.2-178.8179.9179.2178.22.1111.4L192 L193 I194 Y199 R200L192-R196 VanDerWaalsContact O-CB 3.27Å; L192-R196 WeakPolarHBondContact O-CB 3.27Å; L192-R196 PolarHBondContact O-N 3.46Å; L193-R196 PolarHBondContact O-N 2.71Å; I194-R196 VanDerWaalsContact C-N 3.31Å; I194-R196 PolarHBondContact O-N 2.94Å; R196-Y199 PolarHBondContact O-N 3.35Å; R196-R200 VanDerWaalsContact O-CB 3.23Å; R196-R200 WeakPolarHBondContact O-CB 3.38Å; R196-R200 PolarHBondContact O-N 2.91Å
197E91.9Very high92.1Very high21 Ų2173.3 Ų73.310%0.09835%0.353CS..Hα-helixtrans-75.3-36-177.1-160.562.4-164.700112.7L176 L193 I194 C195 R200 R201L176-E197 HydrophobicContact CB-CB 4.45Å; L176-E197 HydrophobicContact CB-CG 4.08Å; L176-E197 HydrophobicContact CD2-CB 4.3Å; L176-E197 HydrophobicContact CD2-CG 3.96Å; L176-E197 HydrophobicContact CG-CG 4.5Å; L193-E197 WeakPolarHBondContact O-CB 3.3Å; L193-E197 PolarHBondContact O-N 2.9Å; I194-E197 PolarHBondContact O-N 3.25Å; I194-E197 VanDerWaalsContact O-N 3.16Å; C195-E197 VanDerWaalsContact C-N 3.34Å; C195-E197 PolarHBondContact O-N 3.37Å; E197-R200 PolarHBondContact O-N 2.97Å; E197-R201 HydrophobicContact CG-CG 4.24Å; E197-R201 VanDerWaalsContact O-CB 3.3Å; E197-R201 WeakPolarHBondContact O-CB 3.43Å; E197-R201 VanDerWaalsContact O-CG 3.32Å; E197-R201 WeakPolarHBondContact O-CG 3.32Å; E197-R201 PolarHBondContact O-N 3.15Å; E197-R201 IonicContact OE1-CZ 3.06Å; E197-R201 IonicContact OE1-NE 2.62Å; E197-R201 PolarHBondContact OE1-NE 3.05Å; E197-R201 IonicContact OE1-NH2 2.69Å; E197-R201 PolarHBondContact OE1-NH2 3.36Å
198I92.3Very high92.1Very high0 Ų067 Ų670%032%0.318CS..Hα-helixtrans-59.5-51.1170.4-68.5172.2000109.4V141 V142 L176 I194 C195 R200 R201 D202 G207 F208V141-I198 HydrophobicContact CG1-CD1 3.83Å; V142-I198 HydrophobicContact CG2-CD1 4.32Å; L176-I198 HydrophobicContact CD1-CG1 3.98Å; I194-I198 HydrophobicContact CG2-CD1 3.56Å; I194-I198 HydrophobicContact CG2-CG1 4.19Å; I194-I198 WeakPolarHBondContact O-CB 3.17Å; I194-I198 VanDerWaalsContact O-CG1 3.23Å; I194-I198 WeakPolarHBondContact O-CG1 3.44Å; I194-I198 PolarHBondContact O-N 3.16Å; C195-I198 PolarHBondContact O-N 2.99Å; I198-R200 PolarHBondContact O-N 3.38Å; I198-R201 PolarHBondContact O-N 3.44Å; I198-D202 WeakPolarHBondContact O-CB 3.27Å; I198-D202 PolarHBondContact O-N 2.69Å; I198-G207 VanDerWaalsContact CG2-C 3.47Å; I198-F208 HydrophobicContact CB-CE1 4.49Å; I198-F208 HydrophobicContact CB-CE2 4.42Å; I198-F208 HydrophobicContact CB-CZ 4.22Å; I198-F208 HydrophobicContact CD1-CE1 4.32Å; I198-F208 HydrophobicContact CG2-CD1 4.27Å; I198-F208 HydrophobicContact CG2-CD2 3.92Å; I198-F208 HydrophobicContact CG2-CE1 4.25Å; I198-F208 HydrophobicContact CG2-CE2 3.88Å; I198-F208 HydrophobicContact CG2-CG 4.11Å; I198-F208 HydrophobicContact CG2-CZ 4.06Å
199Y94.2Very high92.1Very high152 Ų15267.5 Ų67.560%0.59632%0.315SS*.Hα-helixtrans-61.5-45179.9-177.4-99.1000111.9C195 R196 G203 F204C195-Y199 WeakPolarHBondContact O-CB 3.47Å; C195-Y199 PolarHBondContact O-N 2.9Å; R196-Y199 PolarHBondContact O-N 3.35Å; Y199-G203 WeakPolarHBondContact O-CA 3.27Å; Y199-G203 PolarHBondContact O-N 2.89Å; Y199-F204 HydrophobicContact CD2-CB 4.13Å; Y199-F204 HydrophobicContact CE2-CB 4.06Å
200R90.5Very high91.9Very high181 Ų18165.8 Ų65.868%0.68330%0.3SS*.Hα-helixtrans-66.1-39.1-179.4-175.7-177.7173.5162.42.3112.9R196 E197 I198R196-R200 VanDerWaalsContact O-CB 3.23Å; R196-R200 WeakPolarHBondContact O-CB 3.38Å; R196-R200 PolarHBondContact O-N 2.91Å; E197-R200 PolarHBondContact O-N 2.97Å; I198-R200 PolarHBondContact O-N 3.38Å
201R86.5Confident91.7Very high88 Ų8864.1 Ų64.133%0.33229%0.292SS..Hα-helixtrans-85.9-33.3-176.1-68.5-171.4-175.1-178.813.2113.7P175 L176 N177 E197 I198P175-R201 PolarHBondContact O-NH1 2.79Å; L176-R201 VanDerWaalsContact C-NH2 3.33Å; L176-R201 VanDerWaalsContact CA-NH1 3.33Å; L176-R201 PolarHBondContact O-NH2 3.34Å; N177-R201 PolarHBondContact ND2-NH1 2.9Å; N177-R201 PolarHBondContact ND2-NH2 3.2Å; N177-R201 VanDerWaalsContact ND2-NH2 3.15Å; E197-R201 HydrophobicContact CG-CG 4.24Å; E197-R201 VanDerWaalsContact O-CB 3.3Å; E197-R201 WeakPolarHBondContact O-CB 3.43Å; E197-R201 VanDerWaalsContact O-CG 3.32Å; E197-R201 WeakPolarHBondContact O-CG 3.32Å; E197-R201 PolarHBondContact O-N 3.15Å; E197-R201 IonicContact OE1-CZ 3.06Å; E197-R201 IonicContact OE1-NE 2.62Å; E197-R201 PolarHBondContact OE1-NE 3.05Å; E197-R201 IonicContact OE1-NH2 2.69Å; E197-R201 PolarHBondContact OE1-NH2 3.36Å; I198-R201 PolarHBondContact O-N 3.44Å
202D85.6Confident91.7Very high26 Ų2664.8 Ų64.814%0.13929%0.289CS..Hα-helixtrans-123.1-13.5-168.2-61.522000113.5I198 R280 R299I198-D202 WeakPolarHBondContact O-CB 3.27Å; I198-D202 PolarHBondContact O-N 2.69Å; D202-R280 IonicContact OD1-NH1 3.98Å; D202-R280 PolarHBondContact OD1-NH1 3.41Å; D202-R280 IonicContact OD2-CZ 3.24Å; D202-R280 VanDerWaalsContact OD2-CZ 3.31Å; D202-R280 IonicContact OD2-NH1 2.61Å; D202-R280 PolarHBondContact OD2-NH1 3.06Å; D202-R280 IonicContact OD2-NH2 3.17Å; D202-R299 IonicContact OD1-CZ 2.97Å; D202-R299 IonicContact OD1-NH1 3.45Å; D202-R299 PolarHBondContact OD1-NH1 3.23Å; D202-R299 IonicContact OD1-NH2 3.41Å; D202-R299 PolarHBondContact OD1-NH2 2.97Å; D202-R299 IonicContact OD2-CZ 3.23Å; D202-R299 IonicContact OD2-NH1 2.69Å; D202-R299 PolarHBondContact OD2-NH1 3.17Å; D202-R299 IonicContact OD2-NH2 3.85Å
203G90.1Very high91.6Very high28 Ų2863.9 Ų63.929%0.28928%0.283SS..  trans72.6178.9-164.400000112.7Y199 G207Y199-G203 WeakPolarHBondContact O-CA 3.27Å; Y199-G203 PolarHBondContact O-N 2.89Å; G203-G207 WeakPolarHBondContact O-CA 3.49Å; G203-G207 PolarHBondContact O-N 2.96Å
204F91.9Very high91.5Very high112 Ų11263.7 Ų63.749%0.49128%0.283SS..Hα-helixtrans-66.6-62.3-174.2-175.2-106.1000112.6Y199 G207 F208 Y209Y199-F204 HydrophobicContact CD2-CB 4.13Å; Y199-F204 HydrophobicContact CE2-CB 4.06Å; F204-G207 PolarHBondContact O-N 2.98Å; F204-F208 AromaticContact CD2-CD2 3.84Å; F204-F208 HydrophobicContact CD2-CD2 3.84Å; F204-F208 HydrophobicContact CD2-CE2 4.14Å; F204-F208 HydrophobicContact CE2-CD2 4.25Å; F204-F208 WeakPolarHBondContact O-CD2 3.16Å; F204-F208 PolarHBondContact O-N 3.2Å; F204-Y209 HydrophobicContact CE1-CE2 4.11Å; F204-Y209 HydrophobicContact CZ-CE2 4.47Å
205L90.2Very high91.3Very high126 Ų12663.7 Ų63.766%0.6628%0.283SS*.Hα-helixtrans-65.2-56.4-173-65.2176.5000112G207 Y209L205-G207 PolarHBondContact O-N 3.45Å; L205-Y209 HydrophobicContact CD2-CD2 4.33Å; L205-Y209 HydrophobicContact CD2-CE2 4.33Å; L205-Y209 VanDerWaalsContact O-CB 3.3Å; L205-Y209 WeakPolarHBondContact O-CB 3.44Å; L205-Y209 PolarHBondContact O-N 2.91Å; L205-Y209 VanDerWaalsContact O-N 3.1Å
206K87Confident91.1Very high177 Ų17763.6 Ų63.677%0.7728%0.279SS*.Hα-helixtrans-66.9-22.8-177.2-66.4179.4-179.8175.50113.1R210K206-R210 WeakPolarHBondContact O-CB 3.17Å
207G90Very high90.9Very high0 Ų061.4 Ų61.40%028%0.278CS..Hα-helixtrans-84.5-58-179.900000113.8I198 G203 F204 L205 R280I198-G207 VanDerWaalsContact CG2-C 3.47Å; G203-G207 WeakPolarHBondContact O-CA 3.49Å; G203-G207 PolarHBondContact O-N 2.96Å; F204-G207 PolarHBondContact O-N 2.98Å; L205-G207 PolarHBondContact O-N 3.45Å; G207-R280 PolarHBondContact O-NH2 2.94Å
208F94.1Very high90.9Very high22 Ų2260.4 Ų60.410%0.09627%0.273CS..Hα-helixtrans-79.4-26.3-174.8-72-82.1000113.3P138 V141 V142 C195 I198 F204P138-F208 WeakPolarHBondContact CA-O 3.39Å; P138-F208 HydrophobicContact CB-CB 4.01Å; P138-F208 HydrophobicContact CB-CD1 4.26Å; P138-F208 HydrophobicContact CG-CB 4.19Å; V141-F208 WeakPolarHBondContact CG2-O 3.22Å; V142-F208 HydrophobicContact CG2-CD1 4.14Å; V142-F208 HydrophobicContact CG2-CE1 3.81Å; C195-F208 HydrophobicContact CB-CE1 4.26Å; C195-F208 HydrophobicContact CB-CZ 3.96Å; I198-F208 HydrophobicContact CB-CE1 4.49Å; I198-F208 HydrophobicContact CB-CE2 4.42Å; I198-F208 HydrophobicContact CB-CZ 4.22Å; I198-F208 HydrophobicContact CD1-CE1 4.32Å; I198-F208 HydrophobicContact CG2-CD1 4.27Å; I198-F208 HydrophobicContact CG2-CD2 3.92Å; I198-F208 HydrophobicContact CG2-CE1 4.25Å; I198-F208 HydrophobicContact CG2-CE2 3.88Å; I198-F208 HydrophobicContact CG2-CG 4.11Å; I198-F208 HydrophobicContact CG2-CZ 4.06Å; F204-F208 AromaticContact CD2-CD2 3.84Å; F204-F208 HydrophobicContact CD2-CD2 3.84Å; F204-F208 HydrophobicContact CD2-CE2 4.14Å; F204-F208 HydrophobicContact CE2-CD2 4.25Å; F204-F208 WeakPolarHBondContact O-CD2 3.16Å; F204-F208 PolarHBondContact O-N 3.2Å
209Y93.8Very high90.7Very high57 Ų5763.8 Ų63.822%0.22429%0.287CS..THydrogen-bonded Turntrans-99.513.1177-62.6-91.7000112.9L134 P138 F204 L205 G211 Y212L134-Y209 HydrophobicContact CD1-CD1 4.41Å; L134-Y209 HydrophobicContact CD1-CE1 3.6Å; L134-Y209 HydrophobicContact CG-CE1 4.19Å; L134-Y209 WeakPolarHBondContact O-CE1 3.28Å; L134-Y209 PolarHBondContact O-OH 3.16Å; P138-Y209 HydrophobicContact CG-CD1 4.2Å; P138-Y209 HydrophobicContact CG-CD2 4.44Å; P138-Y209 HydrophobicContact CG-CE1 3.7Å; P138-Y209 HydrophobicContact CG-CE2 3.98Å; F204-Y209 HydrophobicContact CE1-CE2 4.11Å; F204-Y209 HydrophobicContact CZ-CE2 4.47Å; L205-Y209 HydrophobicContact CD2-CD2 4.33Å; L205-Y209 HydrophobicContact CD2-CE2 4.33Å; L205-Y209 VanDerWaalsContact O-CB 3.3Å; L205-Y209 WeakPolarHBondContact O-CB 3.44Å; L205-Y209 PolarHBondContact O-N 2.91Å; L205-Y209 VanDerWaalsContact O-N 3.1Å; Y209-G211 PolarHBondContact O-N 3.39Å; Y209-G211 VanDerWaalsContact O-N 3.12Å; Y209-Y212 HydrophobicContact CD1-CD2 4.29Å; Y209-Y212 VanDerWaalsContact O-CB 3.31Å; Y209-Y212 WeakPolarHBondContact O-CB 3.32Å; Y209-Y212 PolarHBondContact O-N 3.42Å
210R89.1Confident90.3Very high33 Ų3358.9 Ų58.913%0.12528%0.277CS..THydrogen-bonded Turntrans-60.1119.3174-167.2173.3171.6900108.8K206 I276 Q277 T300K206-R210 WeakPolarHBondContact O-CB 3.17Å; R210-I276 VanDerWaalsContact CD-O 3.31Å; R210-I276 WeakPolarHBondContact CD-O 3.11Å; R210-I276 HydrophobicContact CG-CG2 3.94Å; R210-I276 WeakPolarHBondContact CG-O 3.04Å; R210-I276 PolarHBondContact NE-O 2.87Å; R210-Q277 WeakPolarHBondContact O-CG 3.32Å; R210-T300 PolarHBondContact NH2-O 2.82Å
211G89.5Confident90.3Very high1 Ų152.5 Ų52.51%0.0126%0.259CS..THydrogen-bonded Turntrans8614.9-176.500000114.9Y209 A214 S215 I276Y209-G211 PolarHBondContact O-N 3.39Å; Y209-G211 VanDerWaalsContact O-N 3.12Å; G211-A214 CarbonylContact O-C 3.38Å; G211-A214 PolarHBondContact O-N 2.96Å; G211-S215 WeakPolarHBondContact O-CB 3.44Å; G211-S215 PolarHBondContact O-N 3.39Å; G211-S215 PolarHBondContact O-OG 2.83Å; G211-I276 VanDerWaalsContact CA-CG2 3.43Å
212Y92.8Very high90.5Very high50 Ų5049.4 Ų49.420%0.19625%0.251CS..Hα-helixtrans-54.9-52.2171.9175.2-93.8000112.1A130 Q133 V137 Y209 A214 S215 L216A130-Y212 WeakPolarHBondContact CA-OH 3.25Å; A130-Y212 WeakPolarHBondContact CB-OH 3.08Å; A130-Y212 PolarHBondContact O-OH 3.48Å; Q133-Y212 HydrophobicContact CB-CD2 3.91Å; Q133-Y212 HydrophobicContact CB-CE2 3.45Å; Q133-Y212 VanDerWaalsContact CB-CE2 3.45Å; V137-Y212 HydrophobicContact CB-CD2 4.31Å; V137-Y212 HydrophobicContact CG2-CD2 3.86Å; Y209-Y212 HydrophobicContact CD1-CD2 4.29Å; Y209-Y212 VanDerWaalsContact O-CB 3.31Å; Y209-Y212 WeakPolarHBondContact O-CB 3.32Å; Y209-Y212 PolarHBondContact O-N 3.42Å; Y212-A214 VanDerWaalsContact C-N 3.35Å; Y212-A214 PolarHBondContact O-N 3.32Å; Y212-S215 WeakPolarHBondContact O-CB 3.47Å; Y212-S215 PolarHBondContact O-N 2.95Å; Y212-S215 VanDerWaalsContact O-N 3.08Å; Y212-L216 HydrophobicContact CD1-CD1 4.05Å; Y212-L216 HydrophobicContact CE1-CD1 3.43Å; Y212-L216 VanDerWaalsContact CE1-CD1 3.43Å; Y212-L216 HydrophobicContact CE1-CG 4.31Å; Y212-L216 PolarHBondContact O-N 2.98Å
213I92.6Very high90.5Very high84 Ų8451.1 Ų51.143%0.43127%0.265SS..Hα-helixtrans-62.6-41.8176.9-58-61.8000111.4S215 L216 L217 M302I213-S215 PolarHBondContact O-N 3.02Å; I213-L216 HydrophobicContact CD1-CD1 4.48Å; I213-L216 PolarHBondContact O-N 3.28Å; I213-L217 HydrophobicContact CG2-CD1 4.09Å; I213-L217 HydrophobicContact CG2-CG 4.39Å; I213-L217 WeakPolarHBondContact O-CG 3.36Å; I213-L217 PolarHBondContact O-N 2.91Å; I213-M302 HydrophobicContact CB-CE 4.25Å; I213-M302 HydrophobicContact CB-SD 4.22Å; I213-M302 HydrophobicContact CG1-CE 4.21Å
214A92.1Very high90.4Very high2 Ų252.4 Ų52.42%0.01727%0.273CS..Hα-helixtrans-62.4-32.2175.600000112.2G211 Y212 C218 Y272 R273 I276G211-A214 CarbonylContact O-C 3.38Å; G211-A214 PolarHBondContact O-N 2.96Å; Y212-A214 VanDerWaalsContact C-N 3.35Å; Y212-A214 PolarHBondContact O-N 3.32Å; A214-C218 VanDerWaalsContact O-CB 3.27Å; A214-C218 WeakPolarHBondContact O-CB 3.48Å; A214-C218 PolarHBondContact O-N 3.09Å; A214-Y272 HydrophobicContact CB-CD1 4.16Å; A214-Y272 HydrophobicContact CB-CE1 4.05Å; A214-R273 HydrophobicContact CB-CB 4.18Å; A214-R273 HydrophobicContact CB-CG 4.34Å; A214-I276 HydrophobicContact CB-CD1 4.18Å
215S92.1Very high90.5Very high0 Ų049.7 Ų49.70%026%0.263CS..Hα-helixtrans-70.9-42.4175.8-560000111.2G211 Y212 I213 C218 Y219 Q277G211-S215 WeakPolarHBondContact O-CB 3.44Å; G211-S215 PolarHBondContact O-N 3.39Å; G211-S215 PolarHBondContact O-OG 2.83Å; Y212-S215 WeakPolarHBondContact O-CB 3.47Å; Y212-S215 PolarHBondContact O-N 2.95Å; Y212-S215 VanDerWaalsContact O-N 3.08Å; I213-S215 PolarHBondContact O-N 3.02Å; S215-C218 PolarHBondContact O-N 3.04Å; S215-Y219 WeakPolarHBondContact O-CB 3.36Å; S215-Y219 WeakPolarHBondContact O-CD2 3.22Å; S215-Y219 PolarHBondContact O-N 3.19Å; S215-Q277 PolarHBondContact OG-NE2 3.09Å
216L91.7Very high90.6Very high36 Ų3645.7 Ų45.719%0.18824%0.241CC..Hα-helixtrans-60.5-47.9172.8-69.7172.9000112A130 Q133 Y212 I213 C218 Y219 A220A130-L216 HydrophobicContact CB-CD2 4.46Å; Q133-L216 HydrophobicContact CB-CD2 4.12Å; Q133-L216 HydrophobicContact CG-CD2 3.54Å; Q133-L216 HydrophobicContact CG-CG 4.17Å; Y212-L216 HydrophobicContact CD1-CD1 4.05Å; Y212-L216 HydrophobicContact CE1-CD1 3.43Å; Y212-L216 VanDerWaalsContact CE1-CD1 3.43Å; Y212-L216 HydrophobicContact CE1-CG 4.31Å; Y212-L216 PolarHBondContact O-N 2.98Å; I213-L216 HydrophobicContact CD1-CD1 4.48Å; I213-L216 PolarHBondContact O-N 3.28Å; L216-C218 PolarHBondContact O-N 2.78Å; L216-Y219 PolarHBondContact O-N 2.59Å; L216-A220 WeakPolarHBondContact O-CB 3.03Å; L216-A220 PolarHBondContact O-N 2.89Å
217L90.3Very high90.5Very high93 Ų9344.2 Ų44.249%0.48723%0.231SC..Hα-helixtrans-64.3-23.8177.6-69.7175.8000112.9I213 P221 L269I213-L217 HydrophobicContact CG2-CD1 4.09Å; I213-L217 HydrophobicContact CG2-CG 4.39Å; I213-L217 WeakPolarHBondContact O-CG 3.36Å; I213-L217 PolarHBondContact O-N 2.91Å; L217-P221 WeakPolarHBondContact O-CD 3.31Å; L217-P221 WeakPolarHBondContact O-CG 3.18Å; L217-L269 WeakPolarHBondContact O-CD1 3.21Å
218C92Very high90.6Very high1 Ų147.9 Ų47.91%0.00726%0.256CS..Hα-helixtrans-84.2-54.2174.7179.70000111.4A214 S215 L216 S222 L269 R273A214-C218 VanDerWaalsContact O-CB 3.27Å; A214-C218 WeakPolarHBondContact O-CB 3.48Å; A214-C218 PolarHBondContact O-N 3.09Å; S215-C218 PolarHBondContact O-N 3.04Å; L216-C218 PolarHBondContact O-N 2.78Å; C218-S222 WeakPolarHBondContact O-CB 3.43Å; C218-S222 PolarHBondContact O-N 3.23Å; C218-S222 VanDerWaalsContact O-N 3.15Å; C218-L269 HydrophobicContact CB-CB 4.23Å; C218-R273 HydrophobicContact CB-CB 4.46Å
219Y88.4Confident90.7Very high71 Ų7148 Ų4828%0.27826%0.258SS..Hα-helixtrans-74.5-41.1-169-68.4-56.4000112.8D140 S215 L216 S222 S223 R273D140-Y219 PolarHBondContact OD2-OH 2.67Å; S215-Y219 WeakPolarHBondContact O-CB 3.36Å; S215-Y219 WeakPolarHBondContact O-CD2 3.22Å; S215-Y219 PolarHBondContact O-N 3.19Å; L216-Y219 PolarHBondContact O-N 2.59Å; Y219-S222 PolarHBondContact O-N 2.85Å; Y219-S223 WeakPolarHBondContact O-CB 3.31Å; Y219-S223 PolarHBondContact O-N 3.12Å; Y219-S223 PolarHBondContact O-OG 3.01Å; Y219-R273 PolarHBondContact OH-NH1 3.43Å
220A86.8Confident90.6Very high48 Ų4847.2 Ų47.240%0.39725%0.254SS..Hα-helixtrans-65-49.9-17800000112.4L216 S222 S223 A224L216-A220 WeakPolarHBondContact O-CB 3.03Å; L216-A220 PolarHBondContact O-N 2.89Å; A220-S222 PolarHBondContact O-N 2.98Å; A220-S223 PolarHBondContact O-N 3.17Å; A220-A224 PolarHBondContact O-N 3.28Å
221P89.8Confident90.6Very high47 Ų4752.1 Ų52.131%0.30528%0.279SS..Hα-helixtrans-63.7-38.9173.9-25.738.5000113.2L217 S223 A224 L225L217-P221 WeakPolarHBondContact O-CD 3.31Å; L217-P221 WeakPolarHBondContact O-CG 3.18Å; P221-S223 VanDerWaalsContact C-N 3.33Å; P221-S223 PolarHBondContact O-N 2.63Å; P221-A224 PolarHBondContact O-N 2.88Å; P221-L225 WeakPolarHBondContact O-CB 3.22Å; P221-L225 WeakPolarHBondContact O-CG 3.47Å; P221-L225 PolarHBondContact O-N 3.46Å
222S90.1Very high90.8Very high24 Ų2457.1 Ų57.117%0.16830%0.303CS..Hα-helixtrans-62.1-40.7178.3-173.20000112.1C218 Y219 A220 F226 S262C218-S222 WeakPolarHBondContact O-CB 3.43Å; C218-S222 PolarHBondContact O-N 3.23Å; C218-S222 VanDerWaalsContact O-N 3.15Å; Y219-S222 PolarHBondContact O-N 2.85Å; A220-S222 PolarHBondContact O-N 2.98Å; S222-F226 WeakPolarHBondContact O-CB 3.23Å; S222-F226 PolarHBondContact O-N 2.95Å; S222-S262 PolarHBondContact O-OG 3.47Å; S222-S262 VanDerWaalsContact O-OG 3.06Å
223S86.2Confident91Very high61 Ų6157.4 Ų57.443%0.42730%0.304SS..Hα-helixtrans-67.7-46.5176-65.80000111.6Y219 A220 P221 L225 F226 W227Y219-S223 WeakPolarHBondContact O-CB 3.31Å; Y219-S223 PolarHBondContact O-N 3.12Å; Y219-S223 PolarHBondContact O-OG 3.01Å; A220-S223 PolarHBondContact O-N 3.17Å; P221-S223 VanDerWaalsContact C-N 3.33Å; P221-S223 PolarHBondContact O-N 2.63Å; S223-L225 PolarHBondContact O-N 3.47Å; S223-F226 PolarHBondContact O-N 3.37Å; S223-W227 PolarHBondContact O-N 3.36Å
224A88.5Confident90.9Very high56 Ų5654.5 Ų54.546%0.46329%0.29SS..Hα-helixtrans-58.3-49.6177.700000111.3A220 P221 F226 W227 S228A220-A224 PolarHBondContact O-N 3.28Å; P221-A224 PolarHBondContact O-N 2.88Å; A224-F226 VanDerWaalsContact C-N 3.34Å; A224-F226 PolarHBondContact O-N 2.99Å; A224-W227 PolarHBondContact O-N 2.79Å; A224-S228 WeakPolarHBondContact O-CB 3.33Å; A224-S228 PolarHBondContact O-N 2.79Å; A224-S228 PolarHBondContact O-OG 2.95Å; A224-S228 VanDerWaalsContact O-OG 3.09Å
225L92.3Very high90.8Very high54 Ų5456.6 Ų56.628%0.28331%0.312SS..Hα-helixtrans-61-41.8177.2-74.8168.1000112.3P221 S223 L229 L265 T266P221-L225 WeakPolarHBondContact O-CB 3.22Å; P221-L225 WeakPolarHBondContact O-CG 3.47Å; P221-L225 PolarHBondContact O-N 3.46Å; S223-L225 PolarHBondContact O-N 3.47Å; L225-L229 WeakPolarHBondContact O-CB 3.48Å; L225-L229 WeakPolarHBondContact O-CD1 3.46Å; L225-L229 WeakPolarHBondContact O-CG 3.05Å; L225-L229 PolarHBondContact O-N 2.88Å; L225-L265 HydrophobicContact CD1-CB 3.91Å; L225-L265 HydrophobicContact CD1-CD1 4.13Å; L225-L265 HydrophobicContact CD2-CD1 3.85Å; L225-T266 HydrophobicContact CD1-CG2 3.49Å; L225-T266 VanDerWaalsContact CD1-CG2 3.49Å
226F92.5Very high90.8Very high43 Ų4363.1 Ų63.119%0.18934%0.341CS..Hα-helixtrans-59.8-51.5177.6173.6-98.3000111.2S222 S223 A224 L229 Y230 A255 A258 A259S222-F226 WeakPolarHBondContact O-CB 3.23Å; S222-F226 PolarHBondContact O-N 2.95Å; S223-F226 PolarHBondContact O-N 3.37Å; A224-F226 VanDerWaalsContact C-N 3.34Å; A224-F226 PolarHBondContact O-N 2.99Å; F226-L229 PolarHBondContact O-N 3.36Å; F226-Y230 WeakPolarHBondContact O-CB 3.5Å; F226-Y230 PolarHBondContact O-N 3.22Å; F226-A255 HydrophobicContact CZ-CB 4.41Å; F226-A258 HydrophobicContact CD2-CB 4.22Å; F226-A258 HydrophobicContact CE2-CB 4.28Å; F226-A259 HydrophobicContact CD2-CB 4.25Å; F226-A259 HydrophobicContact CE2-CB 4.11Å
227W86.7Confident90.8Very high146 Ų14663.3 Ų63.355%0.55334%0.342SS*.Hα-helixtrans-66.3-42.6-178-70.2116.7000112.6S223 A224 Y230 Q231S223-W227 PolarHBondContact O-N 3.36Å; A224-W227 PolarHBondContact O-N 2.79Å; W227-Y230 HydrophobicContact CE3-CD1 4.05Å; W227-Y230 HydrophobicContact CZ3-CD1 4.13Å; W227-Y230 HydrophobicContact CZ3-CE1 4.35Å; W227-Y230 PolarHBondContact O-N 2.75Å; W227-Q231 WeakPolarHBondContact O-CG 3.42Å; W227-Q231 PolarHBondContact O-N 3.49Å
228S91.4Very high90.7Very high76 Ų7662 Ų6253%0.53134%0.337SS..Hα-helixtrans-62-47.1176.4-62.50000111.9A224 M232A224-S228 WeakPolarHBondContact O-CB 3.33Å; A224-S228 PolarHBondContact O-N 2.79Å; A224-S228 PolarHBondContact O-OG 2.95Å; A224-S228 VanDerWaalsContact O-OG 3.09Å; S228-M232 WeakPolarHBondContact O-CB 3.35Å; S228-M232 PolarHBondContact O-N 3.01Å
229L95.5Very high90.6Very high25 Ų2565.2 Ų65.213%0.13137%0.371CS..Hα-helixtrans-69.7-35.9179.7-68169.7000111.7L225 F226 M232 Y233 A258L225-L229 WeakPolarHBondContact O-CB 3.48Å; L225-L229 WeakPolarHBondContact O-CD1 3.46Å; L225-L229 WeakPolarHBondContact O-CG 3.05Å; L225-L229 PolarHBondContact O-N 2.88Å; F226-L229 PolarHBondContact O-N 3.36Å; L229-M232 HydrophobicContact CD2-CE 3.87Å; L229-M232 PolarHBondContact O-N 3.4Å; L229-Y233 HydrophobicContact CB-CD2 4.45Å; L229-Y233 HydrophobicContact CB-CE2 4.11Å; L229-Y233 WeakPolarHBondContact O-CB 3.08Å; L229-Y233 VanDerWaalsContact O-CD2 3.31Å; L229-Y233 WeakPolarHBondContact O-CD2 3.31Å; L229-Y233 PolarHBondContact O-N 3.43Å; L229-A258 HydrophobicContact CB-CB 3.86Å
230Y92Very high90.6Very high40 Ų4067.1 Ų67.116%0.15739%0.385CS..Hα-helixtrans-61.3-49.9175.6174.8-118.7000111.1F226 W227 M232 Y233 T234 N251 A254 A255F226-Y230 WeakPolarHBondContact O-CB 3.5Å; F226-Y230 PolarHBondContact O-N 3.22Å; W227-Y230 HydrophobicContact CE3-CD1 4.05Å; W227-Y230 HydrophobicContact CZ3-CD1 4.13Å; W227-Y230 HydrophobicContact CZ3-CE1 4.35Å; W227-Y230 PolarHBondContact O-N 2.75Å; Y230-M232 PolarHBondContact O-N 3.07Å; Y230-Y233 PolarHBondContact O-N 3.39Å; Y230-T234 WeakPolarHBondContact O-CB 3.27Å; Y230-T234 PolarHBondContact O-N 3.32Å; Y230-T234 PolarHBondContact O-OG1 3.31Å; Y230-N251 HydrophobicContact CE2-CB 4.27Å; Y230-N251 WeakPolarHBondContact OH-CB 3.4Å; Y230-N251 PolarHBondContact OH-ND2 3.11Å; Y230-N251 PolarHBondContact OH-OD1 3.3Å; Y230-N251 VanDerWaalsContact OH-OD1 3.13Å; Y230-A254 HydrophobicContact CD2-CB 4.05Å; Y230-A254 HydrophobicContact CE2-CB 4.11Å; Y230-A255 HydrophobicContact CD2-CB 3.82Å; Y230-A255 HydrophobicContact CE2-CB 3.72Å
231Q90.2Very high90.5Very high136 Ų13666.4 Ų66.464%0.63638%0.377SS*.Hα-helixtrans-60.9-44.1176.5-71.3176.75.300111.9W227 G235W227-Q231 WeakPolarHBondContact O-CG 3.42Å; W227-Q231 PolarHBondContact O-N 3.49Å; Q231-G235 PolarHBondContact O-N 2.88Å
232M93.7Very high89.9Confident107 Ų10772.7 Ų72.753%0.52740%0.399SS..Hα-helixtrans-61.7-45.3178.2-171.8-178.980.400112.1S228 L229 Y230 F236S228-M232 WeakPolarHBondContact O-CB 3.35Å; S228-M232 PolarHBondContact O-N 3.01Å; L229-M232 HydrophobicContact CD2-CE 3.87Å; L229-M232 PolarHBondContact O-N 3.4Å; Y230-M232 PolarHBondContact O-N 3.07Å; M232-F236 WeakPolarHBondContact O-CB 3.08Å; M232-F236 PolarHBondContact O-N 2.98Å
233Y95.2Very high89.1Confident56 Ų5678.9 Ų78.922%0.2243%0.43CS..Hα-helixtrans-73.1-38.2-179.5-64.7-22.9000112.8L229 Y230 F236 L237 A257 A258 S261L229-Y233 HydrophobicContact CB-CD2 4.45Å; L229-Y233 HydrophobicContact CB-CE2 4.11Å; L229-Y233 WeakPolarHBondContact O-CB 3.08Å; L229-Y233 VanDerWaalsContact O-CD2 3.31Å; L229-Y233 WeakPolarHBondContact O-CD2 3.31Å; L229-Y233 PolarHBondContact O-N 3.43Å; Y230-Y233 PolarHBondContact O-N 3.39Å; Y233-F236 PolarHBondContact O-N 2.87Å; Y233-L237 WeakPolarHBondContact O-CB 3.24Å; Y233-L237 VanDerWaalsContact O-CG 3.27Å; Y233-L237 WeakPolarHBondContact O-CG 3.19Å; Y233-L237 PolarHBondContact O-N 3.19Å; Y233-A257 HydrophobicContact CD2-CB 3.83Å; Y233-A257 HydrophobicContact CE2-CB 4.03Å; Y233-A258 HydrophobicContact CD2-CB 3.94Å; Y233-A258 HydrophobicContact CE2-CB 4.24Å; Y233-S261 PolarHBondContact OH-OG 3.47Å; Y233-S261 VanDerWaalsContact OH-OG 3.12Å
234T90.9Very high88.4Confident22 Ų2283.6 Ų83.614%0.13545%0.451CS..Hα-helixtrans-60.9-48.5172-66.70000110.1Y230 F236 L237 V238 I247 V250 N251 A254Y230-T234 WeakPolarHBondContact O-CB 3.27Å; Y230-T234 PolarHBondContact O-N 3.32Å; Y230-T234 PolarHBondContact O-OG1 3.31Å; T234-F236 PolarHBondContact O-N 2.86Å; T234-L237 PolarHBondContact O-N 2.9Å; T234-V238 HydrophobicContact CG2-CG2 4.23Å; T234-V238 WeakPolarHBondContact O-CB 2.97Å; T234-V238 VanDerWaalsContact O-CG2 3.3Å; T234-V238 WeakPolarHBondContact O-CG2 2.88Å; T234-V238 PolarHBondContact O-N 3.19Å; T234-I247 HydrophobicContact CG2-CD1 4.21Å; T234-V250 HydrophobicContact CG2-CG1 4.18Å; T234-N251 VanDerWaalsContact CG2-OD1 3.3Å; T234-N251 WeakPolarHBondContact CG2-OD1 3.36Å; T234-N251 PolarHBondContact OG1-OD1 3.36Å; T234-A254 VanDerWaalsContact OG1-CB 3.28Å; T234-A254 WeakPolarHBondContact OG1-CB 3.42Å
235G89.6Confident88.1Confident46 Ų4685.5 Ų85.547%0.47445%0.449SS..Hα-helixtrans-60.5-42.5178.200000113.2Q231 G239Q231-G235 PolarHBondContact O-N 2.88Å; G235-G239 PolarHBondContact O-N 2.74Å
236F92.8Very high87.7Confident138 Ų13886.2 Ų86.261%0.60546%0.457SS*.Hα-helixtrans-63.2-44.8175.6177.3-103.2000112.8M232 Y233 T234 G239 I240M232-F236 WeakPolarHBondContact O-CB 3.08Å; M232-F236 PolarHBondContact O-N 2.98Å; Y233-F236 PolarHBondContact O-N 2.87Å; T234-F236 PolarHBondContact O-N 2.86Å; F236-G239 PolarHBondContact O-N 2.8Å; F236-I240 HydrophobicContact CD1-CD1 3.86Å; F236-I240 HydrophobicContact CD2-CD1 4.46Å; F236-I240 HydrophobicContact CE1-CD1 3.32Å; F236-I240 HydrophobicContact CE2-CD1 3.98Å; F236-I240 HydrophobicContact CG-CD1 4.42Å; F236-I240 HydrophobicContact CZ-CD1 3.4Å; F236-I240 VanDerWaalsContact CZ-CD1 3.4Å; F236-I240 WeakPolarHBondContact O-CG1 3.46Å; F236-I240 PolarHBondContact O-N 3.08Å
237L91.6Very high87.3Confident40 Ų4087.5 Ų87.521%0.20947%0.465CS..Hα-helixtrans-70.3-39.4-179.9-73.4173.4000112.3Y233 T234 G239 I240 C241 V250 V253 A254Y233-L237 WeakPolarHBondContact O-CB 3.24Å; Y233-L237 VanDerWaalsContact O-CG 3.27Å; Y233-L237 WeakPolarHBondContact O-CG 3.19Å; Y233-L237 PolarHBondContact O-N 3.19Å; T234-L237 PolarHBondContact O-N 2.9Å; L237-G239 VanDerWaalsContact C-N 3.27Å; L237-G239 PolarHBondContact O-N 3.32Å; L237-I240 PolarHBondContact O-N 3.29Å; L237-I240 VanDerWaalsContact O-N 3.13Å; L237-C241 WeakPolarHBondContact O-CB 3.46Å; L237-C241 PolarHBondContact O-N 3.43Å; L237-C241 PolarHBondContact O-SG 3.41Å; L237-C241 VanDerWaalsContact O-SG 3.33Å; L237-V250 HydrophobicContact CB-CG1 3.54Å; L237-V250 HydrophobicContact CD1-CG1 4.12Å; L237-V253 HydrophobicContact CD1-CB 4.02Å; L237-V253 HydrophobicContact CD1-CG1 3.92Å; L237-A254 HydrophobicContact CD1-CB 4.09Å
238V89.3Confident87.3Confident64 Ų6482.9 Ų82.939%0.38845%0.451SS..Hα-helixtrans-59.9-39.7172171.50000110.5T234 I240 C241 I247 V250T234-V238 HydrophobicContact CG2-CG2 4.23Å; T234-V238 WeakPolarHBondContact O-CB 2.97Å; T234-V238 VanDerWaalsContact O-CG2 3.3Å; T234-V238 WeakPolarHBondContact O-CG2 2.88Å; T234-V238 PolarHBondContact O-N 3.19Å; V238-I240 PolarHBondContact O-N 2.95Å; V238-C241 PolarHBondContact O-N 3.12Å; V238-I247 HydrophobicContact CG2-CD1 3.94Å; V238-V250 HydrophobicContact CG2-CG1 4.06Å
239G88.4Confident87.2Confident69 Ų6982.4 Ų82.471%0.71144%0.444SS*.Hα-helixtrans-66.6-19.4176.400000115G235 F236 L237G235-G239 PolarHBondContact O-N 2.74Å; F236-G239 PolarHBondContact O-N 2.8Å; L237-G239 VanDerWaalsContact C-N 3.27Å; L237-G239 PolarHBondContact O-N 3.32Å
240I89Confident86.9Confident111 Ų11181.4 Ų81.457%0.56944%0.44SS*.Hα-helixtrans-93.6-38.6176.5-67.7169.7000111.1F236 L237 V238F236-I240 HydrophobicContact CD1-CD1 3.86Å; F236-I240 HydrophobicContact CD2-CD1 4.46Å; F236-I240 HydrophobicContact CE1-CD1 3.32Å; F236-I240 HydrophobicContact CE2-CD1 3.98Å; F236-I240 HydrophobicContact CG-CD1 4.42Å; F236-I240 HydrophobicContact CZ-CD1 3.4Å; F236-I240 VanDerWaalsContact CZ-CD1 3.4Å; F236-I240 WeakPolarHBondContact O-CG1 3.46Å; F236-I240 PolarHBondContact O-N 3.08Å; L237-I240 PolarHBondContact O-N 3.29Å; L237-I240 VanDerWaalsContact O-N 3.13Å; V238-I240 PolarHBondContact O-N 2.95Å
241C85.8Confident86.8Confident34 Ų3480.9 Ų80.923%0.2344%0.439CS..SBendtrans-74.2147.9177-69.10000110.2L237 V238 F245L237-C241 WeakPolarHBondContact O-CB 3.46Å; L237-C241 PolarHBondContact O-N 3.43Å; L237-C241 PolarHBondContact O-SG 3.41Å; L237-C241 VanDerWaalsContact O-SG 3.33Å; V238-C241 PolarHBondContact O-N 3.12Å; C241-F245 HydrophobicContact CB-CB 3.65Å; C241-F245 HydrophobicContact CB-CD1 3.9Å; C241-F245 HydrophobicContact CB-CG 3.79Å
242K77.3Confident86.9Confident178 Ų17875.2 Ų75.277%0.77442%0.415SS*.  trans-67.3158.3171.7-69.4-178.4175.1177.80110.2D244 F245K242-D244 PolarHBondContact O-N 3.11Å; K242-D244 VanDerWaalsContact O-N 3.08Å; K242-F245 WeakPolarHBondContact O-CB 3.36Å; K242-F245 PolarHBondContact O-N 3.15Å
243D71.6Confident86.9Confident154 Ų15474 Ų7482%0.82441%0.413SS*.THydrogen-bonded Turntrans-54.4-30.3-178.8-62.1-49.5000113.4F245D243-F245 VanDerWaalsContact C-N 3.28Å; D243-F245 PolarHBondContact O-N 3.19Å
244D72.4Confident86.9Confident161 Ų16171.3 Ų71.386%0.86140%0.402SS*.THydrogen-bonded Turntrans-80.20.2177.9-60-40.8000114.7K242K242-D244 PolarHBondContact O-N 3.11Å; K242-D244 VanDerWaalsContact O-N 3.08Å
245F81Confident87Confident95 Ų9570.2 Ų70.242%0.41740%0.396SS..SBendtrans-77.2131.7-175.4-164.2-95.1000110.9C241 K242 D243 I247 V249 V250C241-F245 HydrophobicContact CB-CB 3.65Å; C241-F245 HydrophobicContact CB-CD1 3.9Å; C241-F245 HydrophobicContact CB-CG 3.79Å; K242-F245 WeakPolarHBondContact O-CB 3.36Å; K242-F245 PolarHBondContact O-N 3.15Å; D243-F245 VanDerWaalsContact C-N 3.28Å; D243-F245 PolarHBondContact O-N 3.19Å; F245-I247 PolarHBondContact O-N 3.48Å; F245-V249 HydrophobicContact CE1-CB 3.74Å; F245-V249 HydrophobicContact CE1-CG1 3.63Å; F245-V249 HydrophobicContact CZ-CB 4.23Å; F245-V249 HydrophobicContact CZ-CG1 3.77Å; F245-V250 HydrophobicContact CD1-CG2 3.68Å; F245-V250 HydrophobicContact CE1-CG2 4.04Å
246P84.7Confident87.4Confident70 Ų7069.1 Ų69.146%0.45538%0.38SS..  trans-61.3116.6-173.122.3-33.8000112L248 V249 V250P246-L248 PolarHBondContact O-N 3.14Å; P246-V249 HydrophobicContact CB-CG2 4.15Å; P246-V249 HydrophobicContact CG-CB 4.09Å; P246-V249 HydrophobicContact CG-CG2 3.6Å; P246-V249 WeakPolarHBondContact O-CB 3.4Å; P246-V249 PolarHBondContact O-N 3.39Å; P246-V250 PolarHBondContact O-N 2.91Å
247I84.7Confident87.6Confident69 Ų6964.4 Ų64.435%0.35437%0.367SS..Hα-helixtrans-55.2-28.9179.3-172.257.7000112.8T234 V238 F245 V249 V250 N251T234-I247 HydrophobicContact CG2-CD1 4.21Å; V238-I247 HydrophobicContact CG2-CD1 3.94Å; F245-I247 PolarHBondContact O-N 3.48Å; I247-V249 VanDerWaalsContact C-N 3.35Å; I247-V249 PolarHBondContact O-N 3.14Å; I247-V250 HydrophobicContact CD1-CB 4.31Å; I247-V250 PolarHBondContact O-N 2.97Å; I247-N251 WeakPolarHBondContact O-CB 3.41Å; I247-N251 VanDerWaalsContact O-CG 3.31Å; I247-N251 PolarHBondContact O-N 3.15Å; I247-N251 PolarHBondContact O-ND2 2.98Å
248L86.9Confident87.9Confident49 Ų4962.5 Ų62.526%0.25736%0.357SS..Hα-helixtrans-61.6-41.3174.1-179.456.5000112.2P246 N251 S252 V337 E341P246-L248 PolarHBondContact O-N 3.14Å; L248-N251 PolarHBondContact O-N 3.38Å; L248-S252 VanDerWaalsContact O-CB 3.28Å; L248-S252 WeakPolarHBondContact O-CB 3.33Å; L248-S252 PolarHBondContact O-N 2.94Å; L248-S252 PolarHBondContact O-OG 3.23Å; L248-V337 HydrophobicContact CD1-CG1 4.28Å; L248-E341 HydrophobicContact CD1-CB 3.74Å; L248-E341 HydrophobicContact CD1-CG 3.83Å; L248-E341 HydrophobicContact CD2-CG 4.21Å; L248-E341 HydrophobicContact CG-CG 4.49Å
249V88.3Confident88.3Confident66 Ų6659.7 Ų59.740%0.434%0.34SS..Hα-helixtrans-68.6-41.8178.21780000109.8F245 P246 I247 N251 S252 V253F245-V249 HydrophobicContact CE1-CB 3.74Å; F245-V249 HydrophobicContact CE1-CG1 3.63Å; F245-V249 HydrophobicContact CZ-CB 4.23Å; F245-V249 HydrophobicContact CZ-CG1 3.77Å; P246-V249 HydrophobicContact CB-CG2 4.15Å; P246-V249 HydrophobicContact CG-CB 4.09Å; P246-V249 HydrophobicContact CG-CG2 3.6Å; P246-V249 WeakPolarHBondContact O-CB 3.4Å; P246-V249 PolarHBondContact O-N 3.39Å; I247-V249 VanDerWaalsContact C-N 3.35Å; I247-V249 PolarHBondContact O-N 3.14Å; V249-N251 PolarHBondContact O-N 3.43Å; V249-S252 WeakPolarHBondContact O-CB 3.37Å; V249-S252 PolarHBondContact O-N 3.17Å; V249-V253 PolarHBondContact O-N 2.94Å
250V90.2Very high88.7Confident5 Ų557.1 Ų57.13%0.0331%0.312CS..Hα-helixtrans-56.7-52.2174.4177.30000110.9T234 L237 V238 F245 P246 I247 S252 V253 A254T234-V250 HydrophobicContact CG2-CG1 4.18Å; L237-V250 HydrophobicContact CB-CG1 3.54Å; L237-V250 HydrophobicContact CD1-CG1 4.12Å; V238-V250 HydrophobicContact CG2-CG1 4.06Å; F245-V250 HydrophobicContact CD1-CG2 3.68Å; F245-V250 HydrophobicContact CE1-CG2 4.04Å; P246-V250 PolarHBondContact O-N 2.91Å; I247-V250 HydrophobicContact CD1-CB 4.31Å; I247-V250 PolarHBondContact O-N 2.97Å; V250-S252 VanDerWaalsContact C-N 3.26Å; V250-S252 PolarHBondContact O-N 2.87Å; V250-V253 PolarHBondContact O-N 3.49Å; V250-A254 WeakPolarHBondContact O-CB 3.23Å; V250-A254 PolarHBondContact O-N 3.42Å
251N90Very high89.1Confident28 Ų2853.6 Ų53.615%0.1530%0.298CS..Hα-helixtrans-65.6-31-179.4-69.9-25000112.4Y230 T234 I247 L248 V249 V253 A255 V337Y230-N251 HydrophobicContact CE2-CB 4.27Å; Y230-N251 WeakPolarHBondContact OH-CB 3.4Å; Y230-N251 PolarHBondContact OH-ND2 3.11Å; Y230-N251 PolarHBondContact OH-OD1 3.3Å; Y230-N251 VanDerWaalsContact OH-OD1 3.13Å; T234-N251 VanDerWaalsContact CG2-OD1 3.3Å; T234-N251 WeakPolarHBondContact CG2-OD1 3.36Å; T234-N251 PolarHBondContact OG1-OD1 3.36Å; I247-N251 WeakPolarHBondContact O-CB 3.41Å; I247-N251 VanDerWaalsContact O-CG 3.31Å; I247-N251 PolarHBondContact O-N 3.15Å; I247-N251 PolarHBondContact O-ND2 2.98Å; L248-N251 PolarHBondContact O-N 3.38Å; V249-N251 PolarHBondContact O-N 3.43Å; N251-V253 PolarHBondContact O-N 3.24Å; N251-A255 VanDerWaalsContact O-CB 3.28Å; N251-A255 WeakPolarHBondContact O-CB 3.38Å; N251-A255 PolarHBondContact O-N 3.34Å; N251-V337 HydrophobicContact CB-CG1 3.6Å
252S91.3Very high89.6Confident17 Ų1752.1 Ų52.112%0.11929%0.288CS..Hα-helixtrans-68-19.3174.9-60.30000113.2L248 V249 V250 P256 T338L248-S252 VanDerWaalsContact O-CB 3.28Å; L248-S252 WeakPolarHBondContact O-CB 3.33Å; L248-S252 PolarHBondContact O-N 2.94Å; L248-S252 PolarHBondContact O-OG 3.23Å; V249-S252 WeakPolarHBondContact O-CB 3.37Å; V249-S252 PolarHBondContact O-N 3.17Å; V250-S252 VanDerWaalsContact C-N 3.26Å; V250-S252 PolarHBondContact O-N 2.87Å; S252-P256 WeakPolarHBondContact O-CD 3.49Å; S252-P256 WeakPolarHBondContact O-CG 3.17Å; S252-T338 VanDerWaalsContact OG-CG2 3.31Å; S252-T338 WeakPolarHBondContact OG-CG2 3.4Å
253V93.8Very high90.5Very high81 Ų8143.8 Ų43.849%0.49125%0.252SS..Hα-helixtrans-96.6-44.4172.1178.40000110.9L237 V249 V250 N251 P256 A257L237-V253 HydrophobicContact CD1-CB 4.02Å; L237-V253 HydrophobicContact CD1-CG1 3.92Å; V249-V253 PolarHBondContact O-N 2.94Å; V250-V253 PolarHBondContact O-N 3.49Å; N251-V253 PolarHBondContact O-N 3.24Å; V253-P256 WeakPolarHBondContact O-CD 3.29Å; V253-A257 WeakPolarHBondContact O-CB 3.29Å; V253-A257 PolarHBondContact O-N 3.06Å; V253-A257 VanDerWaalsContact O-N 3.15Å
254A94.4Very high91.6Very high0 Ų040 Ų400%023%0.234CC..Hα-helixtrans-61.7-45.9-178.300000112.5Y230 T234 L237 V250 A257 A258Y230-A254 HydrophobicContact CD2-CB 4.05Å; Y230-A254 HydrophobicContact CE2-CB 4.11Å; T234-A254 VanDerWaalsContact OG1-CB 3.28Å; T234-A254 WeakPolarHBondContact OG1-CB 3.42Å; L237-A254 HydrophobicContact CD1-CB 4.09Å; V250-A254 WeakPolarHBondContact O-CB 3.23Å; V250-A254 PolarHBondContact O-N 3.42Å; A254-A257 PolarHBondContact O-N 3.19Å; A254-A258 VanDerWaalsContact O-CB 3.28Å; A254-A258 WeakPolarHBondContact O-CB 3.38Å; A254-A258 PolarHBondContact O-N 3.03Å
255A95Very high92.7Very high0 Ų037.1 Ų37.10%022%0.218CC..Hα-helixtrans-66.8-45.7-17600000112.9F226 Y230 N251 A257 A258 A259 V337F226-A255 HydrophobicContact CZ-CB 4.41Å; Y230-A255 HydrophobicContact CD2-CB 3.82Å; Y230-A255 HydrophobicContact CE2-CB 3.72Å; N251-A255 VanDerWaalsContact O-CB 3.28Å; N251-A255 WeakPolarHBondContact O-CB 3.38Å; N251-A255 PolarHBondContact O-N 3.34Å; A255-A257 PolarHBondContact O-N 3.37Å; A255-A258 PolarHBondContact O-N 2.86Å; A255-A259 VanDerWaalsContact O-CB 3.3Å; A255-A259 WeakPolarHBondContact O-CB 3.38Å; A255-A259 PolarHBondContact O-N 3.46Å; A255-V337 HydrophobicContact CB-CG2 3.48Å; A255-V337 VanDerWaalsContact CB-CG2 3.48Å
256P97.6Very high93.4Very high22 Ų2232.7 Ų32.714%0.14320%0.199CC..Hα-helixtrans-60.3-42.2171.5-29.439.9000113.4S252 V253 A258 A259 A260 S330 F334S252-P256 WeakPolarHBondContact O-CD 3.49Å; S252-P256 WeakPolarHBondContact O-CG 3.17Å; V253-P256 WeakPolarHBondContact O-CD 3.29Å; P256-A258 PolarHBondContact O-N 3.34Å; P256-A259 PolarHBondContact O-N 3.18Å; P256-A260 WeakPolarHBondContact O-CB 3.43Å; P256-A260 PolarHBondContact O-N 3.15Å; P256-S330 PolarHBondContact O-OG 2.97Å; P256-F334 HydrophobicContact CG-CB 3.69Å; P256-F334 HydrophobicContact CG-CD2 4.34Å
257A97.2Very high93.9Very high40 Ų4029.3 Ų29.333%0.33118%0.177SC..Hα-helixtrans-62.7-41.7177.400000112.1Y233 V253 A254 A255 A260 S261Y233-A257 HydrophobicContact CD2-CB 3.83Å; Y233-A257 HydrophobicContact CE2-CB 4.03Å; V253-A257 WeakPolarHBondContact O-CB 3.29Å; V253-A257 PolarHBondContact O-N 3.06Å; V253-A257 VanDerWaalsContact O-N 3.15Å; A254-A257 PolarHBondContact O-N 3.19Å; A255-A257 PolarHBondContact O-N 3.37Å; A257-A260 PolarHBondContact O-N 3.25Å; A257-S261 WeakPolarHBondContact O-CB 3.31Å; A257-S261 PolarHBondContact O-N 2.69Å; A257-S261 PolarHBondContact O-OG 3.17Å
258A97Very high94.3Very high0 Ų027.3 Ų27.30%017%0.169CC..Hα-helixtrans-65.1-42.4175.100000111.7F226 L229 Y233 A254 A255 P256 S261 S262F226-A258 HydrophobicContact CD2-CB 4.22Å; F226-A258 HydrophobicContact CE2-CB 4.28Å; L229-A258 HydrophobicContact CB-CB 3.86Å; Y233-A258 HydrophobicContact CD2-CB 3.94Å; Y233-A258 HydrophobicContact CE2-CB 4.24Å; A254-A258 VanDerWaalsContact O-CB 3.28Å; A254-A258 WeakPolarHBondContact O-CB 3.38Å; A254-A258 PolarHBondContact O-N 3.03Å; A255-A258 PolarHBondContact O-N 2.86Å; P256-A258 PolarHBondContact O-N 3.34Å; A258-S261 PolarHBondContact O-N 3.24Å; A258-S262 VanDerWaalsContact O-CB 3.24Å; A258-S262 WeakPolarHBondContact O-CB 3.39Å; A258-S262 PolarHBondContact O-N 3.43Å
259A97.2Very high94.7Very high4 Ų427.5 Ų27.53%0.03317%0.17CC..Hα-helixtrans-63.1-43.4176.700000112.1F226 A255 P256 S263 S333F226-A259 HydrophobicContact CD2-CB 4.25Å; F226-A259 HydrophobicContact CE2-CB 4.11Å; A255-A259 VanDerWaalsContact O-CB 3.3Å; A255-A259 WeakPolarHBondContact O-CB 3.38Å; A255-A259 PolarHBondContact O-N 3.46Å; P256-A259 PolarHBondContact O-N 3.18Å; A259-S263 WeakPolarHBondContact O-CB 3.47Å; A259-S263 PolarHBondContact O-N 2.85Å; A259-S263 PolarHBondContact O-OG 3.33Å; A259-S333 WeakPolarHBondContact CB-OG 3.37Å
260A97Very high95Very high15 Ų1524.5 Ų24.512%0.12415%0.152CC..Hα-helixtrans-61.4-49.5175.200000111.4P256 A257 S263 V264 M326P256-A260 WeakPolarHBondContact O-CB 3.43Å; P256-A260 PolarHBondContact O-N 3.15Å; A257-A260 PolarHBondContact O-N 3.25Å; A260-S263 WeakPolarHBondContact O-CA 3.3Å; A260-S263 VanDerWaalsContact O-CB 3.3Å; A260-S263 WeakPolarHBondContact O-CB 3.33Å; A260-S263 PolarHBondContact O-N 2.78Å; A260-S263 VanDerWaalsContact O-N 3.15Å; A260-V264 WeakPolarHBondContact O-CG2 3.48Å; A260-V264 PolarHBondContact O-N 3.24Å; A260-M326 HydrophobicContact CB-CE 3.96Å
261S97.2Very high95.2Very high38 Ų3824.3 Ų24.327%0.26615%0.151SC..Hα-helixtrans-66.6-44.3-178.5-62.70000112.5Y233 A257 A258 S263 V264 L265Y233-S261 PolarHBondContact OH-OG 3.47Å; Y233-S261 VanDerWaalsContact OH-OG 3.12Å; A257-S261 WeakPolarHBondContact O-CB 3.31Å; A257-S261 PolarHBondContact O-N 2.69Å; A257-S261 PolarHBondContact O-OG 3.17Å; A258-S261 PolarHBondContact O-N 3.24Å; S261-S263 PolarHBondContact O-N 3.38Å; S261-V264 PolarHBondContact O-N 2.86Å; S261-L265 PolarHBondContact O-N 3.42Å
262S96.2Very high95.3Very high3 Ų324.6 Ų24.62%0.02115%0.15CC..Hα-helixtrans-59.2-39.4171.4177.90000110.9S222 A258 V264 L265 T266S222-S262 PolarHBondContact O-OG 3.47Å; S222-S262 VanDerWaalsContact O-OG 3.06Å; A258-S262 VanDerWaalsContact O-CB 3.24Å; A258-S262 WeakPolarHBondContact O-CB 3.39Å; A258-S262 PolarHBondContact O-N 3.43Å; S262-V264 PolarHBondContact O-N 2.99Å; S262-L265 PolarHBondContact O-N 3.12Å; S262-T266 WeakPolarHBondContact O-CB 3.36Å; S262-T266 PolarHBondContact O-N 3.24Å; S262-T266 PolarHBondContact O-OG1 3.31Å
263S95.9Very high95.4Very high3 Ų324.4 Ų24.42%0.02115%0.146CC..Hα-helixtrans-62.9-40177.3-63.70000112.7A259 A260 S261 N267 R325 T329A259-S263 WeakPolarHBondContact O-CB 3.47Å; A259-S263 PolarHBondContact O-N 2.85Å; A259-S263 PolarHBondContact O-OG 3.33Å; A260-S263 WeakPolarHBondContact O-CA 3.3Å; A260-S263 VanDerWaalsContact O-CB 3.3Å; A260-S263 WeakPolarHBondContact O-CB 3.33Å; A260-S263 PolarHBondContact O-N 2.78Å; A260-S263 VanDerWaalsContact O-N 3.15Å; S261-S263 PolarHBondContact O-N 3.38Å; S263-N267 WeakPolarHBondContact O-CA 3.29Å; S263-N267 VanDerWaalsContact O-CB 3.25Å; S263-N267 WeakPolarHBondContact O-CB 3.46Å; S263-N267 PolarHBondContact O-N 3.46Å; S263-R325 PolarHBondContact O-NE 3.36Å; S263-T329 PolarHBondContact OG-OG1 3.5Å
264V96.2Very high95.4Very high73 Ų7320.5 Ų20.544%0.44212%0.123SC..Hα-helixtrans-60.6-47.4174.9173.20000110.9A260 S261 S262 T266 L322 M326A260-V264 WeakPolarHBondContact O-CG2 3.48Å; A260-V264 PolarHBondContact O-N 3.24Å; S261-V264 PolarHBondContact O-N 2.86Å; S262-V264 PolarHBondContact O-N 2.99Å; V264-T266 VanDerWaalsContact C-N 3.34Å; V264-T266 PolarHBondContact O-N 3.05Å; V264-L322 HydrophobicContact CB-CD1 4.44Å; V264-L322 HydrophobicContact CG2-CD1 4.06Å; V264-L322 HydrophobicContact CG2-CD2 4.45Å; V264-M326 HydrophobicContact CG2-CE 4.11Å; V264-M326 HydrophobicContact CG2-CG 4.41Å; V264-M326 HydrophobicContact CG2-SD 3.85Å
265L94.8Very high95.2Very high102 Ų10220.8 Ų20.853%0.53412%0.124SC..Hα-helixtrans-70.1-29.6-177.1-65.4174000113.4L225 S261 S262L225-L265 HydrophobicContact CD1-CB 3.91Å; L225-L265 HydrophobicContact CD1-CD1 4.13Å; L225-L265 HydrophobicContact CD2-CD1 3.85Å; S261-L265 PolarHBondContact O-N 3.42Å; S262-L265 PolarHBondContact O-N 3.12Å
266T95.3Very high95Very high1 Ų120.8 Ų20.81%0.00613%0.125CC..Hα-helixtrans-1125.7-172.958.30000114.5L225 S262 V264 S268 L269 D270 R325L225-T266 HydrophobicContact CD1-CG2 3.49Å; L225-T266 VanDerWaalsContact CD1-CG2 3.49Å; S262-T266 WeakPolarHBondContact O-CB 3.36Å; S262-T266 PolarHBondContact O-N 3.24Å; S262-T266 PolarHBondContact O-OG1 3.31Å; V264-T266 VanDerWaalsContact C-N 3.34Å; V264-T266 PolarHBondContact O-N 3.05Å; T266-S268 VanDerWaalsContact C-N 3.29Å; T266-S268 PolarHBondContact O-N 3.41Å; T266-L269 HydrophobicContact CG2-CD1 4.33Å; T266-L269 PolarHBondContact O-N 3.31Å; T266-D270 PolarHBondContact O-N 2.95Å; T266-D270 VanDerWaalsContact O-N 3.16Å; T266-R325 PolarHBondContact OG1-NH2 2.86Å
267N95.2Very high94.7Very high0 Ų019.8 Ų19.80%012%0.118CC..Hα-helixtrans-61.5-37.6-178.7-17259.5000112.5Q54 S263 L269 D270 L271 F318 K320 L322 R325Q54-N267 PolarHBondContact NE2-OD1 3.5Å; S263-N267 WeakPolarHBondContact O-CA 3.29Å; S263-N267 VanDerWaalsContact O-CB 3.25Å; S263-N267 WeakPolarHBondContact O-CB 3.46Å; S263-N267 PolarHBondContact O-N 3.46Å; N267-L269 VanDerWaalsContact C-N 3.32Å; N267-L269 PolarHBondContact O-N 3.24Å; N267-D270 PolarHBondContact O-N 3.4Å; N267-L271 WeakPolarHBondContact O-CB 3.47Å; N267-L271 PolarHBondContact O-N 3.35Å; N267-F318 PolarHBondContact ND2-O 3.19Å; N267-K320 PolarHBondContact ND2-O 2.84Å; N267-K320 VanDerWaalsContact ND2-O 3.07Å; N267-L322 HydrophobicContact CB-CD1 3.87Å; N267-R325 WeakPolarHBondContact OD1-CD 3.17Å
268S94.5Very high94.3Very high26 Ų2617.9 Ų17.918%0.18210%0.102CC..Hα-helixtrans-61.7-39.8177.555.10000112.3T266 Y272T266-S268 VanDerWaalsContact C-N 3.29Å; T266-S268 PolarHBondContact O-N 3.41Å; S268-Y272 VanDerWaalsContact O-CB 3.3Å; S268-Y272 WeakPolarHBondContact O-CB 3.48Å; S268-Y272 PolarHBondContact O-N 3.1Å
269L94.5Very high93.7Very high54 Ų5419.2 Ų19.228%0.28311%0.109SC..Hα-helixtrans-67.4-40.8177.7-62.9168000111.4L217 C218 T266 N267 Y272 R273L217-L269 WeakPolarHBondContact O-CD1 3.21Å; C218-L269 HydrophobicContact CB-CB 4.23Å; T266-L269 HydrophobicContact CG2-CD1 4.33Å; T266-L269 PolarHBondContact O-N 3.31Å; N267-L269 VanDerWaalsContact C-N 3.32Å; N267-L269 PolarHBondContact O-N 3.24Å; L269-Y272 PolarHBondContact O-N 3.45Å; L269-R273 VanDerWaalsContact O-CB 3.32Å; L269-R273 WeakPolarHBondContact O-CB 3.36Å; L269-R273 PolarHBondContact O-N 3.14Å
270D94.4Very high92.4Very high2 Ų219.9 Ų19.91%0.01111%0.111CC..Hα-helixtrans-69.7-40.6177-171.152000112.2K50 Q54 T266 N267 Y272 R273 A274 R325K50-D270 IonicContact NZ-OD1 3.61Å; K50-D270 IonicContact NZ-OD2 3.75Å; K50-D270 PolarHBondContact NZ-OD2 3.46Å; Q54-D270 PolarHBondContact NE2-OD2 2.98Å; Q54-D270 PolarHBondContact OE1-OD2 3.19Å; T266-D270 PolarHBondContact O-N 2.95Å; T266-D270 VanDerWaalsContact O-N 3.16Å; N267-D270 PolarHBondContact O-N 3.4Å; D270-Y272 VanDerWaalsContact C-N 3.35Å; D270-R273 PolarHBondContact O-N 3.26Å; D270-R273 IonicContact OD1-CZ 2.6Å; D270-R273 IonicContact OD1-NE 3.7Å; D270-R273 PolarHBondContact OD1-NE 2.83Å; D270-R273 IonicContact OD1-NH2 3.57Å; D270-R273 PolarHBondContact OD1-NH2 3.47Å; D270-A274 WeakPolarHBondContact O-CB 3.47Å; D270-A274 PolarHBondContact O-N 2.77Å; D270-R325 IonicContact OD1-NH1 2.82Å; D270-R325 IonicContact OD2-CZ 2.71Å; D270-R325 IonicContact OD2-NH1 3.95Å; D270-R325 PolarHBondContact OD2-NH1 3.43Å
271L93.4Very high91Very high1 Ų120.5 Ų20.51%0.00511%0.114CC..Hα-helixtrans-57.7-50.7172.7-174.387.7000110.3Q54 N267 R273 A274 N275 I317 K320Q54-L271 HydrophobicContact CB-CD1 3.66Å; Q54-L271 HydrophobicContact CG-CD1 3.7Å; Q54-L271 VanDerWaalsContact O-CD1 3.27Å; Q54-L271 WeakPolarHBondContact O-CD1 3.38Å; N267-L271 WeakPolarHBondContact O-CB 3.47Å; N267-L271 PolarHBondContact O-N 3.35Å; L271-R273 PolarHBondContact O-N 3.39Å; L271-A274 PolarHBondContact O-N 3.41Å; L271-N275 WeakPolarHBondContact O-CB 3.46Å; L271-N275 PolarHBondContact O-N 2.82Å; L271-N275 PolarHBondContact O-ND2 3.48Å; L271-I317 HydrophobicContact CD2-CB 3.92Å; L271-I317 HydrophobicContact CD2-CG1 3.92Å; L271-I317 HydrophobicContact CD2-CG2 3.75Å; L271-K320 HydrophobicContact CD1-CB 3.91Å; L271-K320 HydrophobicContact CD1-CD 4.07Å; L271-K320 HydrophobicContact CD1-CG 4.15Å
272Y92.9Very high89.5Confident35 Ų3522.1 Ų22.114%0.13712%0.122CC..Hα-helixtrans-58.8-47179.4173.9-122.3000111.9A214 S268 L269 D270 N275 I276 M302 L306 L309A214-Y272 HydrophobicContact CB-CD1 4.16Å; A214-Y272 HydrophobicContact CB-CE1 4.05Å; S268-Y272 VanDerWaalsContact O-CB 3.3Å; S268-Y272 WeakPolarHBondContact O-CB 3.48Å; S268-Y272 PolarHBondContact O-N 3.1Å; L269-Y272 PolarHBondContact O-N 3.45Å; D270-Y272 VanDerWaalsContact C-N 3.35Å; Y272-N275 PolarHBondContact O-N 3.48Å; Y272-I276 HydrophobicContact CD1-CD1 4.27Å; Y272-I276 HydrophobicContact CD2-CD1 3.92Å; Y272-I276 HydrophobicContact CD2-CG1 4.25Å; Y272-I276 HydrophobicContact CE1-CD1 3.67Å; Y272-I276 HydrophobicContact CE2-CD1 3.24Å; Y272-I276 HydrophobicContact CE2-CG1 3.89Å; Y272-I276 HydrophobicContact CG-CD1 4.4Å; Y272-I276 PolarHBondContact O-N 2.84Å; Y272-I276 WeakPolarHBondContact OH-CD1 3.2Å; Y272-M302 WeakPolarHBondContact OH-CB 3.17Å; Y272-M302 PolarHBondContact OH-O 2.96Å; Y272-M302 VanDerWaalsContact OH-O 3.14Å; Y272-L306 HydrophobicContact CD2-CB 4.32Å; Y272-L306 HydrophobicContact CD2-CD1 3.85Å; Y272-L306 HydrophobicContact CE2-CB 3.64Å; Y272-L306 HydrophobicContact CE2-CD1 3.95Å; Y272-L306 HydrophobicContact CE2-CG 4.31Å; Y272-L306 HydrophobicContact CG-CD1 4.42Å; Y272-L309 HydrophobicContact CD2-CD1 3.97Å
273R93.6Very high87.6Confident12 Ų1225.2 Ų25.25%0.04514%0.138CC..Hα-helixtrans-58.3-52175.8-179.1-165.668.4100.8-10.8112D140 Q144 A214 C218 Y219 L269 D270 L271 N275 I276 Q277D140-R273 IonicContact OD2-NH1 3.3Å; D140-R273 PolarHBondContact OD2-NH1 2.68Å; Q144-R273 VanDerWaalsContact NE2-NH1 3.1Å; A214-R273 HydrophobicContact CB-CB 4.18Å; A214-R273 HydrophobicContact CB-CG 4.34Å; C218-R273 HydrophobicContact CB-CB 4.46Å; Y219-R273 PolarHBondContact OH-NH1 3.43Å; L269-R273 VanDerWaalsContact O-CB 3.32Å; L269-R273 WeakPolarHBondContact O-CB 3.36Å; L269-R273 PolarHBondContact O-N 3.14Å; D270-R273 PolarHBondContact O-N 3.26Å; D270-R273 IonicContact OD1-CZ 2.6Å; D270-R273 IonicContact OD1-NE 3.7Å; D270-R273 PolarHBondContact OD1-NE 2.83Å; D270-R273 IonicContact OD1-NH2 3.57Å; D270-R273 PolarHBondContact OD1-NH2 3.47Å; L271-R273 PolarHBondContact O-N 3.39Å; R273-N275 VanDerWaalsContact C-N 3.28Å; R273-N275 PolarHBondContact O-N 3.08Å; R273-I276 PolarHBondContact O-N 3.28Å; R273-Q277 WeakPolarHBondContact O-CB 3.49Å; R273-Q277 WeakPolarHBondContact O-CG 3.15Å; R273-Q277 PolarHBondContact O-N 3.49Å
274A93.1Very high86Confident0 Ų029.4 Ų29.40%016%0.163CC..Hα-helixtrans-59.7-39.9-179.800000111.7Q54 V55 D270 L271 Q277 V278Q54-A274 HydrophobicContact CB-CB 4.41Å; V55-A274 HydrophobicContact CG1-CB 3.94Å; D270-A274 WeakPolarHBondContact O-CB 3.47Å; D270-A274 PolarHBondContact O-N 2.77Å; L271-A274 PolarHBondContact O-N 3.41Å; A274-Q277 PolarHBondContact O-N 3Å; A274-V278 WeakPolarHBondContact O-CB 3.33Å; A274-V278 PolarHBondContact O-N 3.4Å
275N91.6Very high84.3Confident5 Ų528.8 Ų28.83%0.02716%0.157CC..Hα-helixtrans-68-42175.9-81.8-91.6000112Q54 L271 Y272 R273 Q277 N279 L309Q54-N275 PolarHBondContact O-ND2 3.06Å; L271-N275 WeakPolarHBondContact O-CB 3.46Å; L271-N275 PolarHBondContact O-N 2.82Å; L271-N275 PolarHBondContact O-ND2 3.48Å; Y272-N275 PolarHBondContact O-N 3.48Å; R273-N275 VanDerWaalsContact C-N 3.28Å; R273-N275 PolarHBondContact O-N 3.08Å; N275-Q277 VanDerWaalsContact C-N 3.3Å; N275-Q277 PolarHBondContact O-N 3.42Å; N275-N279 CarbonylContact O-C 3.57Å; N275-N279 VanDerWaalsContact O-CA 3.23Å; N275-N279 WeakPolarHBondContact O-CA 3.18Å; N275-N279 WeakPolarHBondContact O-CB 3.25Å; N275-N279 PolarHBondContact O-N 2.99Å; N275-N279 PolarHBondContact OD1-ND2 3.45Å; N275-L309 HydrophobicContact CB-CD1 3.68Å; N275-L309 HydrophobicContact CB-CD2 3.97Å; N275-L309 HydrophobicContact CB-CG 4.39Å; N275-L309 WeakPolarHBondContact OD1-CD2 3.24Å
276I90Very high82.8Confident1 Ų127.2 Ų27.21%0.00515%0.153CC..Hα-helixtrans-63.3-39.2176.3-77.8179.8000112R210 G211 A214 Y272 R273 M302 T305R210-I276 VanDerWaalsContact CD-O 3.31Å; R210-I276 WeakPolarHBondContact CD-O 3.11Å; R210-I276 HydrophobicContact CG-CG2 3.94Å; R210-I276 WeakPolarHBondContact CG-O 3.04Å; R210-I276 PolarHBondContact NE-O 2.87Å; G211-I276 VanDerWaalsContact CA-CG2 3.43Å; A214-I276 HydrophobicContact CB-CD1 4.18Å; Y272-I276 HydrophobicContact CD1-CD1 4.27Å; Y272-I276 HydrophobicContact CD2-CD1 3.92Å; Y272-I276 HydrophobicContact CD2-CG1 4.25Å; Y272-I276 HydrophobicContact CE1-CD1 3.67Å; Y272-I276 HydrophobicContact CE2-CD1 3.24Å; Y272-I276 HydrophobicContact CE2-CG1 3.89Å; Y272-I276 HydrophobicContact CG-CD1 4.4Å; Y272-I276 PolarHBondContact O-N 2.84Å; Y272-I276 WeakPolarHBondContact OH-CD1 3.2Å; R273-I276 PolarHBondContact O-N 3.28Å; I276-M302 HydrophobicContact CD1-CB 3.99Å; I276-M302 HydrophobicContact CD1-CG 4.03Å; I276-M302 HydrophobicContact CD1-SD 4.48Å; I276-T305 HydrophobicContact CG1-CG2 3.84Å
277Q91.2Very high80.9Confident0 Ų030.2 Ų30.20%017%0.174CC..Hα-helixtrans-72.6-41.7-176.4-75.9179.8-40.200112V141 H145 R210 S215 R273 A274 N275V141-Q277 HydrophobicContact CG2-CB 4.16Å; V141-Q277 HydrophobicContact CG2-CG 3.88Å; H145-Q277 PolarHBondContact CE1-O 3.3Å; R210-Q277 WeakPolarHBondContact O-CG 3.32Å; S215-Q277 PolarHBondContact OG-NE2 3.09Å; R273-Q277 WeakPolarHBondContact O-CB 3.49Å; R273-Q277 WeakPolarHBondContact O-CG 3.15Å; R273-Q277 PolarHBondContact O-N 3.49Å; A274-Q277 PolarHBondContact O-N 3Å; N275-Q277 VanDerWaalsContact C-N 3.3Å; N275-Q277 PolarHBondContact O-N 3.42Å
278V89.6Confident79.1Confident0 Ų035.7 Ų35.70%021%0.211CC..Hα-helixtrans-95.9-51.7-177.8179.10000113V55 Q144 V148 L173 P175 A274 R280V55-V278 HydrophobicContact CB-CB 4.43Å; V55-V278 HydrophobicContact CB-CG1 4.37Å; V55-V278 HydrophobicContact CG1-CB 3.94Å; V55-V278 HydrophobicContact CG1-CG1 4.37Å; V55-V278 HydrophobicContact CG1-CG2 4.02Å; V55-V278 HydrophobicContact CG2-CG1 4.45Å; Q144-V278 HydrophobicContact CB-CG2 3.53Å; Q144-V278 HydrophobicContact CG-CG2 4.45Å; V148-V278 HydrophobicContact CB-CG1 4.3Å; V148-V278 HydrophobicContact CG1-CG1 4.13Å; V148-V278 HydrophobicContact CG2-CG1 4.14Å; V148-V278 HydrophobicContact CG2-CG2 4.3Å; L173-V278 HydrophobicContact CD2-CG1 4.22Å; P175-V278 HydrophobicContact CG-CG1 4.24Å; A274-V278 WeakPolarHBondContact O-CB 3.33Å; A274-V278 PolarHBondContact O-N 3.4Å; V278-R280 PolarHBondContact O-N 3.4Å
279N83.7Confident77.2Confident29 Ų2938.7 Ų38.716%0.15523%0.231CC..  trans-72.9115.7-177.8-69.3-35.1000108.4V55 L173 N275 P281V55-N279 PolarHBondContact O-ND2 3.47Å; L173-N279 WeakPolarHBondContact CD1-OD1 3.28Å; L173-N279 WeakPolarHBondContact CD2-OD1 3.27Å; N275-N279 CarbonylContact O-C 3.57Å; N275-N279 VanDerWaalsContact O-CA 3.23Å; N275-N279 WeakPolarHBondContact O-CA 3.18Å; N275-N279 WeakPolarHBondContact O-CB 3.25Å; N275-N279 PolarHBondContact O-N 2.99Å; N275-N279 PolarHBondContact OD1-ND2 3.45Å; N279-P281 WeakPolarHBondContact O-CD 3.26Å
280R71Confident75.4Confident17 Ų1744.7 Ų44.76%0.06426%0.255CS..  trans-11258.6-178.5-69.9176.2-179.1-117.4-21.2109.9H145 P175 D202 G207 V278H145-R280 PolarHBondContact NE2-NE 3.44Å; H145-R280 VanDerWaalsContact NE2-NE 3.15Å; P175-R280 HydrophobicContact CB-CB 4.4Å; D202-R280 IonicContact OD1-NH1 3.98Å; D202-R280 PolarHBondContact OD1-NH1 3.41Å; D202-R280 IonicContact OD2-CZ 3.24Å; D202-R280 VanDerWaalsContact OD2-CZ 3.31Å; D202-R280 IonicContact OD2-NH1 2.61Å; D202-R280 PolarHBondContact OD2-NH1 3.06Å; D202-R280 IonicContact OD2-NH2 3.17Å; G207-R280 PolarHBondContact O-NH2 2.94Å; V278-R280 PolarHBondContact O-N 3.4Å
281P66Low73.5Confident29 Ų2954.3 Ų54.319%0.18829%0.293CS..  trans-65142-17932.7-37.9000109.5N279 T300 M308N279-P281 WeakPolarHBondContact O-CD 3.26Å; P281-T300 HydrophobicContact CB-CG2 4.17Å; P281-T300 HydrophobicContact CG-CG2 3.78Å; P281-T300 VanDerWaalsContact CG-OG1 3.27Å; P281-T300 WeakPolarHBondContact CG-OG1 3.31Å; P281-T300 PolarHBondContact O-N 2.58Å; P281-M308 HydrophobicContact CB-CE 3.28Å; P281-M308 HydrophobicContact CG-CE 3.36Å
282V65.5Low71.7Confident72 Ų7260.2 Ų60.244%0.43632%0.324SS..EExtended strand (participates in β ladder)trans-111.4121.7177.7-179.70000106V297V282-V297 HydrophobicContact CG1-CB 4.35Å; V282-V297 HydrophobicContact CG1-CG1 3.09Å
283L56.7Low69.8Low67 Ų6764.6 Ų64.635%0.35135%0.35SS..EExtended strand (participates in β ladder)trans-86.1119.2174.7-172.266.8000107.6I285 R298 T300L283-I285 HydrophobicContact CD2-CD1 4.04Å; L283-I285 HydrophobicContact CD2-CG1 3.93Å; L283-I285 HydrophobicContact CG-CG1 3.97Å; L283-R298 WeakPolarHBondContact CA-O 3.25Å; L283-R298 PolarHBondContact N-O 2.7Å; L283-R298 PolarHBondContact O-N 3.12Å; L283-R298 VanDerWaalsContact O-O 3.05Å; L283-T300 HydrophobicContact CB-CG2 4.24Å
284V62.8Low68Low92 Ų9271.4 Ų71.456%0.55838%0.38SS*.EExtended strand (participates in β ladder)trans-93.6105.5173.3-177.60000106.8I295 V297V284-I295 HydrophobicContact CG1-CG2 3.34Å; V284-V297 HydrophobicContact CG1-CG2 4.47Å; V284-V297 HydrophobicContact CG2-CG2 4.37Å
285I60.5Low66.4Low60 Ų6076.1 Ų76.131%0.30840%0.404SS..EExtended strand (participates in β ladder)trans-93.8109.8173.9-55.1177.3000106.6L283 S287 E296 R298L283-I285 HydrophobicContact CD2-CD1 4.04Å; L283-I285 HydrophobicContact CD2-CG1 3.93Å; L283-I285 HydrophobicContact CG-CG1 3.97Å; I285-S287 PolarHBondContact O-N 3.1Å; I285-E296 PolarHBondContact N-O 3.49Å; I285-E296 PolarHBondContact O-N 2.73Å; I285-R298 HydrophobicContact CD1-CG 4.1Å
286C62.5Low64.6Low68 Ų6880.8 Ų80.846%0.45943%0.426SS..EExtended strand (participates in β ladder)trans-87.1100.2167.7-170.50000107.4C288C286-C288 PolarHBondContact O-N 2.83Å
287S56.3Low63.3Low64 Ų6485.1 Ų85.145%0.44845%0.452SS..EExtended strand (participates in β ladder)trans-73.5112.4166.6-90.30000107.8I285 C289 F294I285-S287 PolarHBondContact O-N 3.1Å; S287-C289 PolarHBondContact O-N 2.87Å; S287-F294 PolarHBondContact N-O 3.26Å
288C57.5Low62.2Low115 Ų11590.3 Ų90.378%0.77747%0.472SS*.EExtended strand (participates in β ladder)trans-70.150.6167.1-70.90000110.9C286 F290C286-C288 PolarHBondContact O-N 2.83Å; C288-F290 PolarHBondContact O-N 2.85Å; C288-F290 VanDerWaalsContact O-N 3.13Å
289C54.6Low61.2Low89 Ų8993.3 Ų93.360%0.60148%0.483SS*.EExtended strand (participates in β ladder)trans-66.9114.5167.2-128.10000106.2S287 Y291 L292S287-C289 PolarHBondContact O-N 2.87Å; C289-Y291 PolarHBondContact O-N 2.98Å; C289-L292 CarbonylContact O-C 3.55Å; C289-L292 PolarHBondContact O-N 3.4Å
290F57.2Low60.6Low180 Ų18092.5 Ų92.579%0.78948%0.479SS*.THydrogen-bonded Turntrans-51-8.7-162.8-172.5-112000116.9C288C288-F290 PolarHBondContact O-N 2.85Å; C288-F290 VanDerWaalsContact O-N 3.13Å
291Y54.6Low61.1Low204 Ų20493.9 Ų93.980%0.849%0.492SS*.THydrogen-bonded Turntrans-134-4.2175.6-78-74000116.3C289C289-Y291 PolarHBondContact O-N 2.98Å
292L55.6Low61.9Low125 Ų12596.3 Ų96.365%0.65450%0.501SS*.EExtended strand (participates in β ladder)trans-140.2103.4178.6-77.5159.7000107.8C289 F294C289-L292 CarbonylContact O-C 3.55Å; C289-L292 PolarHBondContact O-N 3.4Å; L292-F294 PolarHBondContact O-N 3.47Å
293N52.9Low62.8Low127 Ų12795.9 Ų95.968%0.67951%0.506SS*.EExtended strand (participates in β ladder)trans-68.280.5168.5-79.4-75000108.4I295N293-I295 PolarHBondContact O-N 3.16Å
294F54.2Low64.2Low155 Ų15595.7 Ų95.768%0.6850%0.503SS*.EExtended strand (participates in β ladder)trans-83.2105.1170.6-131.5-89.7000107.4S287 L292 E296S287-F294 PolarHBondContact N-O 3.26Å; L292-F294 PolarHBondContact O-N 3.47Å; F294-E296 PolarHBondContact O-N 2.7Å
295I59.5Low65.3Low99 Ų9991.4 Ų91.451%0.50848%0.477SS..EExtended strand (participates in β ladder)trans-83.899.5172.1-59.3179.8000106.5V284 N293 V297V284-I295 HydrophobicContact CG1-CG2 3.34Å; N293-I295 PolarHBondContact O-N 3.16Å; I295-V297 HydrophobicContact CG2-CG2 3.81Å; I295-V297 PolarHBondContact O-N 3.44Å
296E55.6Low66.6Low104 Ų10492.5 Ų92.549%0.48648%0.483SS..EExtended strand (participates in β ladder)trans-84.2108.5173.6-165.5-175.8161.900109I285 F294 R298I285-E296 PolarHBondContact N-O 3.49Å; I285-E296 PolarHBondContact O-N 2.73Å; F294-E296 PolarHBondContact O-N 2.7Å; E296-R298 PolarHBondContact O-N 3.09Å
297V61.4Low67.9Low92 Ų9294 Ų9456%0.55849%0.49SS*.EExtended strand (participates in β ladder)trans-94.792177.7-179.20000107.5V282 V284 I295V282-V297 HydrophobicContact CG1-CB 4.35Å; V282-V297 HydrophobicContact CG1-CG1 3.09Å; V284-V297 HydrophobicContact CG1-CG2 4.47Å; V284-V297 HydrophobicContact CG2-CG2 4.37Å; I295-V297 HydrophobicContact CG2-CG2 3.81Å; I295-V297 PolarHBondContact O-N 3.44Å
298R67.6Low69.2Low108 Ų10893.9 Ų93.941%0.40848%0.483SS..EExtended strand (participates in β ladder)trans-112.9151.8178.664.2169.4-85.3-171.8-12.9112.6L283 I285 E296 E304L283-R298 WeakPolarHBondContact CA-O 3.25Å; L283-R298 PolarHBondContact N-O 2.7Å; L283-R298 PolarHBondContact O-N 3.12Å; L283-R298 VanDerWaalsContact O-O 3.05Å; I285-R298 HydrophobicContact CD1-CG 4.1Å; E296-R298 PolarHBondContact O-N 3.09Å; R298-E304 IonicContact NH2-OE2 2.65Å
299R68.8Low70.7Confident64 Ų6489 Ų8924%0.24245%0.449CS..EExtended strand (participates in β ladder)trans-68.5145.8174.5-82.2-80.917898.67.7110.8D202 S301D202-R299 IonicContact OD1-CZ 2.97Å; D202-R299 IonicContact OD1-NH1 3.45Å; D202-R299 PolarHBondContact OD1-NH1 3.23Å; D202-R299 IonicContact OD1-NH2 3.41Å; D202-R299 PolarHBondContact OD1-NH2 2.97Å; D202-R299 IonicContact OD2-CZ 3.23Å; D202-R299 IonicContact OD2-NH1 2.69Å; D202-R299 PolarHBondContact OD2-NH1 3.17Å; D202-R299 IonicContact OD2-NH2 3.85Å; R299-S301 PolarHBondContact O-N 3.41Å
300T72.3Confident72.4Confident11 Ų1190.8 Ų90.87%0.06744%0.443CS..PPolyproline II helixtrans-65.4135.6168.863.80000110.3R210 P281 L283 E304 T305R210-T300 PolarHBondContact NH2-O 2.82Å; P281-T300 HydrophobicContact CB-CG2 4.17Å; P281-T300 HydrophobicContact CG-CG2 3.78Å; P281-T300 VanDerWaalsContact CG-OG1 3.27Å; P281-T300 WeakPolarHBondContact CG-OG1 3.31Å; P281-T300 PolarHBondContact O-N 2.58Å; L283-T300 HydrophobicContact CB-CG2 4.24Å; T300-E304 WeakPolarHBondContact CA-OE2 3.47Å; T300-E304 HydrophobicContact CG2-CB 4.33Å; T300-T305 PolarHBondContact OG1-OG1 3.24Å
301S80.3Confident73.9Confident47 Ų4785.9 Ų85.933%0.32943%0.431SS..PPolyproline II helixtrans-63.2167.4162.665.80000110.8R299 A303 E304 T305R299-S301 PolarHBondContact O-N 3.41Å; S301-A303 VanDerWaalsContact C-N 3.31Å; S301-A303 PolarHBondContact O-N 2.79Å; S301-E304 VanDerWaalsContact CB-OE2 3.28Å; S301-E304 WeakPolarHBondContact CB-OE2 3.36Å; S301-E304 PolarHBondContact N-OE2 3.1Å; S301-E304 PolarHBondContact O-N 3.3Å; S301-E304 WeakPolarHBondContact OG-CB 3.37Å; S301-E304 VanDerWaalsContact OG-CD 3.23Å; S301-E304 VanDerWaalsContact OG-CG 3.22Å; S301-E304 WeakPolarHBondContact OG-CG 3.45Å; S301-E304 PolarHBondContact OG-N 3.37Å; S301-E304 VanDerWaalsContact OG-N 3.16Å; S301-E304 PolarHBondContact OG-OE2 3.36Å; S301-T305 PolarHBondContact O-N 3.32Å; S301-T305 PolarHBondContact O-OG1 3.31Å
302M82.8Confident75.3Confident80 Ų8079.9 Ų79.939%0.39441%0.413SS..Hα-helixtrans-60.1-44.3176.1-62.6-166-144.900110.9I213 Y272 I276 T305 L306I213-M302 HydrophobicContact CB-CE 4.25Å; I213-M302 HydrophobicContact CB-SD 4.22Å; I213-M302 HydrophobicContact CG1-CE 4.21Å; Y272-M302 WeakPolarHBondContact OH-CB 3.17Å; Y272-M302 PolarHBondContact OH-O 2.96Å; Y272-M302 VanDerWaalsContact OH-O 3.14Å; I276-M302 HydrophobicContact CD1-CB 3.99Å; I276-M302 HydrophobicContact CD1-CG 4.03Å; I276-M302 HydrophobicContact CD1-SD 4.48Å; M302-T305 WeakPolarHBondContact O-CB 3.4Å; M302-T305 PolarHBondContact O-N 3.37Å; M302-L306 PolarHBondContact O-N 3.17Å
303A85.7Confident76.8Confident63 Ų6374.4 Ų74.452%0.52138%0.384SS..Hα-helixtrans-61.9-45.4177.500000112.3S301 T305 L306 V307S301-A303 VanDerWaalsContact C-N 3.31Å; S301-A303 PolarHBondContact O-N 2.79Å; A303-T305 VanDerWaalsContact C-N 3.29Å; A303-T305 PolarHBondContact O-N 3Å; A303-L306 WeakPolarHBondContact O-CB 3.45Å; A303-L306 PolarHBondContact O-N 3.15Å; A303-L306 VanDerWaalsContact O-N 3.15Å; A303-V307 WeakPolarHBondContact O-CG2 3.16Å; A303-V307 PolarHBondContact O-N 3.06Å
304E85.7Confident78.5Confident62 Ų6275.9 Ų75.929%0.2938%0.38SS..Hα-helixtrans-63.6-35.8176.5-72.3161.7146.900112R298 T300 S301 L306 V307 M308R298-E304 IonicContact NH2-OE2 2.65Å; T300-E304 WeakPolarHBondContact CA-OE2 3.47Å; T300-E304 HydrophobicContact CG2-CB 4.33Å; S301-E304 VanDerWaalsContact CB-OE2 3.28Å; S301-E304 WeakPolarHBondContact CB-OE2 3.36Å; S301-E304 PolarHBondContact N-OE2 3.1Å; S301-E304 PolarHBondContact O-N 3.3Å; S301-E304 WeakPolarHBondContact OG-CB 3.37Å; S301-E304 VanDerWaalsContact OG-CD 3.23Å; S301-E304 VanDerWaalsContact OG-CG 3.22Å; S301-E304 WeakPolarHBondContact OG-CG 3.45Å; S301-E304 PolarHBondContact OG-N 3.37Å; S301-E304 VanDerWaalsContact OG-N 3.16Å; S301-E304 PolarHBondContact OG-OE2 3.36Å; E304-L306 VanDerWaalsContact C-N 3.34Å; E304-V307 PolarHBondContact O-N 2.69Å; E304-M308 WeakPolarHBondContact O-CB 3.48Å; E304-M308 PolarHBondContact O-N 3.23Å
305T84.6Confident80.2Confident2 Ų276.8 Ų76.81%0.01238%0.379CS..Hα-helixtrans-65-40.6174.5-520000110.9I276 T300 S301 M302 A303 M308 L309I276-T305 HydrophobicContact CG1-CG2 3.84Å; T300-T305 PolarHBondContact OG1-OG1 3.24Å; S301-T305 PolarHBondContact O-N 3.32Å; S301-T305 PolarHBondContact O-OG1 3.31Å; M302-T305 WeakPolarHBondContact O-CB 3.4Å; M302-T305 PolarHBondContact O-N 3.37Å; A303-T305 VanDerWaalsContact C-N 3.29Å; A303-T305 PolarHBondContact O-N 3Å; T305-M308 PolarHBondContact O-N 3.16Å; T305-L309 HydrophobicContact CG2-CD1 4.15Å; T305-L309 WeakPolarHBondContact O-CB 3.34Å; T305-L309 VanDerWaalsContact O-CG 3.23Å; T305-L309 WeakPolarHBondContact O-CG 3.26Å; T305-L309 PolarHBondContact O-N 2.6Å
306L88.8Confident81.5Confident84 Ų8477.3 Ų77.344%0.4437%0.374SS..Hα-helixtrans-63.1-45.8174.5-17661.8000111.6Y272 M302 A303 E304 M308 L309 W310Y272-L306 HydrophobicContact CD2-CB 4.32Å; Y272-L306 HydrophobicContact CD2-CD1 3.85Å; Y272-L306 HydrophobicContact CE2-CB 3.64Å; Y272-L306 HydrophobicContact CE2-CD1 3.95Å; Y272-L306 HydrophobicContact CE2-CG 4.31Å; Y272-L306 HydrophobicContact CG-CD1 4.42Å; M302-L306 PolarHBondContact O-N 3.17Å; A303-L306 WeakPolarHBondContact O-CB 3.45Å; A303-L306 PolarHBondContact O-N 3.15Å; A303-L306 VanDerWaalsContact O-N 3.15Å; E304-L306 VanDerWaalsContact C-N 3.34Å; L306-M308 VanDerWaalsContact C-N 3.34Å; L306-M308 PolarHBondContact O-N 2.74Å; L306-L309 PolarHBondContact O-N 3Å; L306-W310 WeakPolarHBondContact O-CB 3.26Å; L306-W310 PolarHBondContact O-N 3.45Å
307V89.2Confident83.1Confident100 Ų10073 Ų7361%0.60636%0.355SS*.Hα-helixtrans-62-42.6177.9172.30000110.9A303 E304 W310 S311A303-V307 WeakPolarHBondContact O-CG2 3.16Å; A303-V307 PolarHBondContact O-N 3.06Å; E304-V307 PolarHBondContact O-N 2.69Å; V307-W310 PolarHBondContact O-N 3.41Å; V307-S311 WeakPolarHBondContact O-CB 3.32Å; V307-S311 PolarHBondContact O-N 3.48Å; V307-S311 PolarHBondContact O-OG 2.93Å
308M85Confident84.5Confident60 Ų6072.9 Ų72.930%0.29635%0.347SS..Hα-helixtrans-66.7-41176.8-177.2-115.6-81.600112.2P281 E304 T305 L306 W310 S311 L312P281-M308 HydrophobicContact CB-CE 3.28Å; P281-M308 HydrophobicContact CG-CE 3.36Å; E304-M308 WeakPolarHBondContact O-CB 3.48Å; E304-M308 PolarHBondContact O-N 3.23Å; T305-M308 PolarHBondContact O-N 3.16Å; L306-M308 VanDerWaalsContact C-N 3.34Å; L306-M308 PolarHBondContact O-N 2.74Å; M308-W310 VanDerWaalsContact C-N 3.31Å; M308-W310 PolarHBondContact O-N 3.23Å; M308-S311 PolarHBondContact O-N 3.23Å; M308-S311 PolarHBondContact O-OG 2.97Å; M308-L312 HydrophobicContact CG-CD1 3.94Å; M308-L312 HydrophobicContact CG-CG 4.42Å; M308-L312 WeakPolarHBondContact O-CB 3.31Å; M308-L312 VanDerWaalsContact O-CG 3.26Å; M308-L312 WeakPolarHBondContact O-CG 3.49Å; M308-L312 PolarHBondContact O-N 2.85Å; M308-L312 HydrophobicContact SD-CD1 3.62Å
309L87.5Confident85.7Confident12 Ų1273 Ų736%0.06336%0.355CS..Hα-helixtrans-62.1-42.6173.4-73.7167000111Y272 N275 T305 L306 L312 E313 I317Y272-L309 HydrophobicContact CD2-CD1 3.97Å; N275-L309 HydrophobicContact CB-CD1 3.68Å; N275-L309 HydrophobicContact CB-CD2 3.97Å; N275-L309 HydrophobicContact CB-CG 4.39Å; N275-L309 WeakPolarHBondContact OD1-CD2 3.24Å; T305-L309 HydrophobicContact CG2-CD1 4.15Å; T305-L309 WeakPolarHBondContact O-CB 3.34Å; T305-L309 VanDerWaalsContact O-CG 3.23Å; T305-L309 WeakPolarHBondContact O-CG 3.26Å; T305-L309 PolarHBondContact O-N 2.6Å; L306-L309 PolarHBondContact O-N 3Å; L309-L312 PolarHBondContact O-N 2.75Å; L309-E313 WeakPolarHBondContact O-CB 3.39Å; L309-E313 PolarHBondContact O-N 3.37Å; L309-I317 HydrophobicContact CB-CD1 4.22Å
310W90.1Very high86.7Confident127 Ų12770.7 Ų70.748%0.48135%0.347SS..Hα-helixtrans-63.5-43.3177.8-177.3-100.8000112.2L306 V307 M308 L312 R314 I317 F318L306-W310 WeakPolarHBondContact O-CB 3.26Å; L306-W310 PolarHBondContact O-N 3.45Å; V307-W310 PolarHBondContact O-N 3.41Å; M308-W310 VanDerWaalsContact C-N 3.31Å; M308-W310 PolarHBondContact O-N 3.23Å; W310-L312 VanDerWaalsContact C-N 3.34Å; W310-L312 PolarHBondContact O-N 3.47Å; W310-R314 VanDerWaalsContact O-CA 3.27Å; W310-R314 WeakPolarHBondContact O-CA 3.44Å; W310-R314 WeakPolarHBondContact O-CG 3.22Å; W310-R314 PolarHBondContact O-N 2.96Å; W310-I317 HydrophobicContact CB-CD1 4.43Å; W310-I317 HydrophobicContact CE3-CD1 3.97Å; W310-F318 HydrophobicContact CZ3-CE2 4.21Å
311S88.9Confident87.6Confident78 Ų7870.4 Ų70.455%0.54535%0.346SS..Hα-helixtrans-67.5-34.6179.4690000112.6V307 M308V307-S311 WeakPolarHBondContact O-CB 3.32Å; V307-S311 PolarHBondContact O-N 3.48Å; V307-S311 PolarHBondContact O-OG 2.93Å; M308-S311 PolarHBondContact O-N 3.23Å; M308-S311 PolarHBondContact O-OG 2.97Å
312L85.2Confident88.2Confident78 Ų7869.2 Ų69.241%0.40834%0.336SS..Hα-helixtrans-80.8-58.7177.9-65.9176.4000112.2F58 M308 L309 W310F58-L312 HydrophobicContact CB-CB 4.28Å; F58-L312 WeakPolarHBondContact CD2-O 3.34Å; F58-L312 WeakPolarHBondContact CE2-O 3.42Å; F58-L312 WeakPolarHBondContact CG-O 3.47Å; M308-L312 HydrophobicContact CG-CD1 3.94Å; M308-L312 HydrophobicContact CG-CG 4.42Å; M308-L312 WeakPolarHBondContact O-CB 3.31Å; M308-L312 VanDerWaalsContact O-CG 3.26Å; M308-L312 WeakPolarHBondContact O-CG 3.49Å; M308-L312 PolarHBondContact O-N 2.85Å; M308-L312 HydrophobicContact SD-CD1 3.62Å; L309-L312 PolarHBondContact O-N 2.75Å; W310-L312 VanDerWaalsContact C-N 3.34Å; W310-L312 PolarHBondContact O-N 3.47Å
313E86.3Confident88.7Confident10 Ų1068.7 Ų68.75%0.04734%0.34CS..Hα-helixtrans-89.5-25-169.1-64.8-68.7172.400114.3F58 L309 W315 R316 I317 K320F58-E313 VanDerWaalsContact CA-OE1 3.25Å; F58-E313 WeakPolarHBondContact CA-OE1 3.21Å; F58-E313 WeakPolarHBondContact CD2-OE2 3.45Å; F58-E313 PolarHBondContact N-OE1 2.96Å; L309-E313 WeakPolarHBondContact O-CB 3.39Å; L309-E313 PolarHBondContact O-N 3.37Å; E313-W315 PolarHBondContact O-N 3.32Å; E313-R316 HydrophobicContact CB-CB 4.36Å; E313-R316 WeakPolarHBondContact O-CB 3.42Å; E313-R316 PolarHBondContact O-N 2.74Å; E313-R316 WeakPolarHBondContact OE2-CD 3.28Å; E313-R316 IonicContact OE2-CZ 2.79Å; E313-R316 IonicContact OE2-NH1 3.77Å; E313-R316 PolarHBondContact OE2-NH1 3.43Å; E313-I317 HydrophobicContact CB-CD1 4.37Å; E313-I317 HydrophobicContact CB-CG1 3.64Å; E313-K320 IonicContact OE1-NZ 2.79Å; E313-K320 PolarHBondContact OE1-NZ 3.36Å; E313-K320 IonicContact OE2-NZ 3.49Å
314R89.7Confident89Confident157 Ų15765.7 Ų65.759%0.59232%0.315SS*.THydrogen-bonded Turntrans48.6-127.5-176-55179.568.6178.42.4110.9W310 R316 I317W310-R314 VanDerWaalsContact O-CA 3.27Å; W310-R314 WeakPolarHBondContact O-CA 3.44Å; W310-R314 WeakPolarHBondContact O-CG 3.22Å; W310-R314 PolarHBondContact O-N 2.96Å; R314-R316 PolarHBondContact O-N 3.31Å; R314-R316 VanDerWaalsContact O-N 3.13Å; R314-I317 WeakPolarHBondContact O-CB 3.18Å; R314-I317 WeakPolarHBondContact O-CG1 3.3Å; R314-I317 PolarHBondContact O-N 2.78Å
315W88.4Confident89.4Confident175 Ų17563.3 Ų63.366%0.66330%0.304SS*.THydrogen-bonded Turntrans-62-18.2178.6-62.4111.6000114.6E313 I317 F318E313-W315 PolarHBondContact O-N 3.32Å; W315-I317 PolarHBondContact O-N 3.23Å; W315-F318 HydrophobicContact CE3-CD2 4.24Å; W315-F318 HydrophobicContact CE3-CE2 4.06Å; W315-F318 HydrophobicContact CZ3-CE2 4.31Å; W315-F318 PolarHBondContact O-N 3.13Å
316R87.8Confident89.9Confident110 Ų11066.2 Ų66.242%0.41532%0.318SS..Hα-helixtrans-65.9-19.4178.1-157.4-175.8-68.7143.3-8.1111.9F58 E313 R314 F318 N319 K320F58-R316 PolarHBondContact O-NH1 2.91Å; E313-R316 HydrophobicContact CB-CB 4.36Å; E313-R316 WeakPolarHBondContact O-CB 3.42Å; E313-R316 PolarHBondContact O-N 2.74Å; E313-R316 WeakPolarHBondContact OE2-CD 3.28Å; E313-R316 IonicContact OE2-CZ 2.79Å; E313-R316 IonicContact OE2-NH1 3.77Å; E313-R316 PolarHBondContact OE2-NH1 3.43Å; R314-R316 PolarHBondContact O-N 3.31Å; R314-R316 VanDerWaalsContact O-N 3.13Å; R316-F318 PolarHBondContact O-N 3.11Å; R316-F318 VanDerWaalsContact O-N 3.12Å; R316-N319 PolarHBondContact O-N 3.36Å; R316-K320 HydrophobicContact CG-CB 4.21Å; R316-K320 VanDerWaalsContact O-CB 3.27Å; R316-K320 WeakPolarHBondContact O-CB 3.26Å; R316-K320 PolarHBondContact O-N 2.98Å
317I89.2Confident90.1Very high14 Ų1466.3 Ų66.37%0.07232%0.318CS..Hα-helixtrans-52-37.1176.2-70.7174.6000112.3L271 L309 W310 E313 R314 W315L271-I317 HydrophobicContact CD2-CB 3.92Å; L271-I317 HydrophobicContact CD2-CG1 3.92Å; L271-I317 HydrophobicContact CD2-CG2 3.75Å; L309-I317 HydrophobicContact CB-CD1 4.22Å; W310-I317 HydrophobicContact CB-CD1 4.43Å; W310-I317 HydrophobicContact CE3-CD1 3.97Å; E313-I317 HydrophobicContact CB-CD1 4.37Å; E313-I317 HydrophobicContact CB-CG1 3.64Å; R314-I317 WeakPolarHBondContact O-CB 3.18Å; R314-I317 WeakPolarHBondContact O-CG1 3.3Å; R314-I317 PolarHBondContact O-N 2.78Å; W315-I317 PolarHBondContact O-N 3.23Å
318F91.7Very high90.4Very high89 Ų8961.9 Ų61.939%0.3929%0.292SS..Hα-helixtrans-77.5-30.5-177.8-61.2-79000113N267 W310 W315 R316N267-F318 PolarHBondContact ND2-O 3.19Å; W310-F318 HydrophobicContact CZ3-CE2 4.21Å; W315-F318 HydrophobicContact CE3-CD2 4.24Å; W315-F318 HydrophobicContact CE3-CE2 4.06Å; W315-F318 HydrophobicContact CZ3-CE2 4.31Å; W315-F318 PolarHBondContact O-N 3.13Å; R316-F318 PolarHBondContact O-N 3.11Å; R316-F318 VanDerWaalsContact O-N 3.12Å
319N90.9Very high90.8Very high109 Ų10960.7 Ų60.758%0.58329%0.288SS*.Hα-helixtrans-104.5-17.4-172.5-69.4-42.3000114.1R316 G321 L322R316-N319 PolarHBondContact O-N 3.36Å; N319-G321 PolarHBondContact O-N 2.92Å; N319-G321 VanDerWaalsContact O-N 3.15Å; N319-L322 VanDerWaalsContact O-CB 3.24Å; N319-L322 WeakPolarHBondContact O-CB 3.2Å; N319-L322 PolarHBondContact O-N 2.57Å
320K90.7Very high91.2Very high17 Ų1761.3 Ų61.37%0.07429%0.293CS..THydrogen-bonded Turntrans-65.4117.8-175.2-163.9172.4-167.6-1630110.5I53 D56 N267 L271 E313 R316 L322I53-K320 HydrophobicContact CG2-CG 4.03Å; I53-K320 WeakPolarHBondContact O-CE 3.42Å; D56-K320 PolarHBondContact O-NZ 3.09Å; N267-K320 PolarHBondContact ND2-O 2.84Å; N267-K320 VanDerWaalsContact ND2-O 3.07Å; L271-K320 HydrophobicContact CD1-CB 3.91Å; L271-K320 HydrophobicContact CD1-CD 4.07Å; L271-K320 HydrophobicContact CD1-CG 4.15Å; E313-K320 IonicContact OE1-NZ 2.79Å; E313-K320 PolarHBondContact OE1-NZ 3.36Å; E313-K320 IonicContact OE2-NZ 3.49Å; R316-K320 HydrophobicContact CG-CB 4.21Å; R316-K320 VanDerWaalsContact O-CB 3.27Å; R316-K320 WeakPolarHBondContact O-CB 3.26Å; R316-K320 PolarHBondContact O-N 2.98Å; K320-L322 PolarHBondContact O-N 2.95Å
321G90.7Very high91.4Very high5 Ų557.6 Ų57.65%0.05228%0.283CS..THydrogen-bonded Turntrans73.92.1-176.500000114.9N319 S323 T324 R325N319-G321 PolarHBondContact O-N 2.92Å; N319-G321 VanDerWaalsContact O-N 3.15Å; G321-S323 PolarHBondContact O-N 3.12Å; G321-T324 PolarHBondContact O-N 3.18Å; G321-R325 WeakPolarHBondContact O-CB 3.23Å; G321-R325 PolarHBondContact O-N 2.94Å
322L93.7Very high91.7Very high22 Ų2255.1 Ų55.112%0.11527%0.265CS..Hα-helixtrans-59.1-47.1-175175.459.6000112.2V264 N267 N319 K320 T324 R325 M326V264-L322 HydrophobicContact CB-CD1 4.44Å; V264-L322 HydrophobicContact CG2-CD1 4.06Å; V264-L322 HydrophobicContact CG2-CD2 4.45Å; N267-L322 HydrophobicContact CB-CD1 3.87Å; N319-L322 VanDerWaalsContact O-CB 3.24Å; N319-L322 WeakPolarHBondContact O-CB 3.2Å; N319-L322 PolarHBondContact O-N 2.57Å; K320-L322 PolarHBondContact O-N 2.95Å; L322-T324 VanDerWaalsContact C-N 3.32Å; L322-T324 PolarHBondContact O-N 3.25Å; L322-R325 WeakPolarHBondContact O-CB 3.37Å; L322-R325 PolarHBondContact O-N 3.13Å; L322-R325 VanDerWaalsContact O-N 3.14Å; L322-M326 HydrophobicContact CD1-CG 3.91Å; L322-M326 HydrophobicContact CD1-SD 4.01Å; L322-M326 HydrophobicContact CG-CG 4.35Å; L322-M326 HydrophobicContact CG-SD 3.95Å; L322-M326 WeakPolarHBondContact O-CG 3.23Å; L322-M326 PolarHBondContact O-N 3.33Å
323S93.2Very high92.1Very high68 Ų6852.2 Ų52.248%0.47625%0.251SS..Hα-helixtrans-58.7-43.3178.152.80000112.3T65 G321 L327T65-S323 PolarHBondContact OG1-OG 3.16Å; G321-S323 PolarHBondContact O-N 3.12Å; S323-L327 WeakPolarHBondContact O-CB 3.31Å; S323-L327 PolarHBondContact O-N 3.02Å
324T92.5Very high92.5Very high0 Ų055.7 Ų55.70%027%0.266CS..Hα-helixtrans-66.3-40.8176.9-44.10000110.9M46 I49 K50 T65 G321 L322 L327 S328M46-T324 HydrophobicContact CE-CG2 3.65Å; M46-T324 VanDerWaalsContact O-CG2 3.26Å; M46-T324 WeakPolarHBondContact O-CG2 3.39Å; I49-T324 HydrophobicContact CB-CG2 4.07Å; I49-T324 HydrophobicContact CG2-CG2 3.96Å; K50-T324 HydrophobicContact CB-CG2 3.71Å; T65-T324 WeakPolarHBondContact CB-OG1 3.29Å; T65-T324 HydrophobicContact CG2-CG2 3.9Å; T65-T324 VanDerWaalsContact CG2-OG1 3.28Å; T65-T324 WeakPolarHBondContact CG2-OG1 3.36Å; T65-T324 PolarHBondContact OG1-N 2.99Å; T65-T324 PolarHBondContact OG1-OG1 2.99Å; G321-T324 PolarHBondContact O-N 3.18Å; L322-T324 VanDerWaalsContact C-N 3.32Å; L322-T324 PolarHBondContact O-N 3.25Å; T324-L327 PolarHBondContact O-N 2.94Å; T324-S328 WeakPolarHBondContact O-CB 3.43Å; T324-S328 PolarHBondContact O-N 3.16Å; T324-S328 PolarHBondContact O-OG 3.11Å
325R93.8Very high92.7Very high12 Ų1251.4 Ų51.45%0.04525%0.252CS..Hα-helixtrans-61.5-55.7177.2-175.2-178.1164.586.52.6110.2K50 S263 T266 N267 D270 G321 L322 L327 S328 T329K50-R325 HydrophobicContact CD-CB 3.79Å; K50-R325 HydrophobicContact CD-CG 4.07Å; K50-R325 HydrophobicContact CG-CB 4.28Å; S263-R325 PolarHBondContact O-NE 3.36Å; T266-R325 PolarHBondContact OG1-NH2 2.86Å; N267-R325 WeakPolarHBondContact OD1-CD 3.17Å; D270-R325 IonicContact OD1-NH1 2.82Å; D270-R325 IonicContact OD2-CZ 2.71Å; D270-R325 IonicContact OD2-NH1 3.95Å; D270-R325 PolarHBondContact OD2-NH1 3.43Å; G321-R325 WeakPolarHBondContact O-CB 3.23Å; G321-R325 PolarHBondContact O-N 2.94Å; L322-R325 WeakPolarHBondContact O-CB 3.37Å; L322-R325 PolarHBondContact O-N 3.13Å; L322-R325 VanDerWaalsContact O-N 3.14Å; R325-L327 VanDerWaalsContact C-N 3.3Å; R325-L327 PolarHBondContact O-N 3.37Å; R325-S328 PolarHBondContact O-N 2.61Å; R325-S328 VanDerWaalsContact O-N 3.14Å; R325-S328 PolarHBondContact O-OG 2.88Å; R325-T329 HydrophobicContact CG-CG2 4.33Å; R325-T329 WeakPolarHBondContact O-CG2 3.41Å; R325-T329 PolarHBondContact O-N 3.49Å; R325-T329 PolarHBondContact O-OG1 2.84Å
326M95.7Very high92.8Very high64 Ų6447.3 Ų47.332%0.31524%0.239SC..Hα-helixtrans-53.6-46.9177.5-70173.674.200111.5A260 V264 L322 T329 S330A260-M326 HydrophobicContact CB-CE 3.96Å; V264-M326 HydrophobicContact CG2-CE 4.11Å; V264-M326 HydrophobicContact CG2-CG 4.41Å; V264-M326 HydrophobicContact CG2-SD 3.85Å; L322-M326 HydrophobicContact CD1-CG 3.91Å; L322-M326 HydrophobicContact CD1-SD 4.01Å; L322-M326 HydrophobicContact CG-CG 4.35Å; L322-M326 HydrophobicContact CG-SD 3.95Å; L322-M326 WeakPolarHBondContact O-CG 3.23Å; L322-M326 PolarHBondContact O-N 3.33Å; M326-T329 PolarHBondContact O-OG1 3.46Å; M326-S330 WeakPolarHBondContact O-CB 3.43Å; M326-S330 PolarHBondContact O-N 3.47Å; M326-S330 PolarHBondContact O-OG 2.86Å
327L93Very high92.8Very high85 Ų8543.2 Ų43.245%0.44523%0.226SC..Hα-helixtrans-63.6-46.2179.3-17455.4000111.5M46 S323 T324 R325 I331M46-L327 HydrophobicContact CE-CB 3.99Å; M46-L327 HydrophobicContact CE-CD2 3.45Å; M46-L327 VanDerWaalsContact CE-CD2 3.45Å; M46-L327 HydrophobicContact CE-CG 3.83Å; S323-L327 WeakPolarHBondContact O-CB 3.31Å; S323-L327 PolarHBondContact O-N 3.02Å; T324-L327 PolarHBondContact O-N 2.94Å; R325-L327 VanDerWaalsContact C-N 3.3Å; R325-L327 PolarHBondContact O-N 3.37Å; L327-I331 HydrophobicContact CD1-CD1 3.6Å; L327-I331 HydrophobicContact CD1-CG1 4.14Å; L327-I331 HydrophobicContact CG-CD1 3.91Å; L327-I331 WeakPolarHBondContact O-CB 3.43Å; L327-I331 WeakPolarHBondContact O-CD1 2.96Å; L327-I331 WeakPolarHBondContact O-CG1 3.41Å; L327-I331 PolarHBondContact O-N 3.46Å; L327-I331 VanDerWaalsContact O-N 3.1Å
328S93.7Very high92.7Very high7 Ų744.2 Ų44.25%0.04923%0.233CC..Hα-helixtrans-64-43.9179.367.10000113.4T324 R325 S332T324-S328 WeakPolarHBondContact O-CB 3.43Å; T324-S328 PolarHBondContact O-N 3.16Å; T324-S328 PolarHBondContact O-OG 3.11Å; R325-S328 PolarHBondContact O-N 2.61Å; R325-S328 VanDerWaalsContact O-N 3.14Å; R325-S328 PolarHBondContact O-OG 2.88Å; S328-S332 WeakPolarHBondContact O-CB 3.04Å; S328-S332 PolarHBondContact O-N 2.79Å; S328-S332 PolarHBondContact O-OG 3.23Å
329T94.2Very high92.6Very high36 Ų3641.5 Ų41.522%0.22122%0.224CC..Hα-helixtrans-75.3-39.1-177.254.30000111.1S263 R325 M326 S332 S333S263-T329 PolarHBondContact OG-OG1 3.5Å; R325-T329 HydrophobicContact CG-CG2 4.33Å; R325-T329 WeakPolarHBondContact O-CG2 3.41Å; R325-T329 PolarHBondContact O-N 3.49Å; R325-T329 PolarHBondContact O-OG1 2.84Å; M326-T329 PolarHBondContact O-OG1 3.46Å; T329-S332 PolarHBondContact O-N 3.38Å; T329-S333 WeakPolarHBondContact O-CB 3.27Å; T329-S333 PolarHBondContact O-N 2.93Å; T329-S333 PolarHBondContact O-OG 3.48Å
330S96Very high92.3Very high25 Ų2540.5 Ų40.518%0.17521%0.213CC..Hα-helixtrans-62.1-48.4176.1-57.80000111.7P256 M326 S332 S333 F334P256-S330 PolarHBondContact O-OG 2.97Å; M326-S330 WeakPolarHBondContact O-CB 3.43Å; M326-S330 PolarHBondContact O-N 3.47Å; M326-S330 PolarHBondContact O-OG 2.86Å; S330-S332 VanDerWaalsContact C-N 3.34Å; S330-S332 PolarHBondContact O-N 3.44Å; S330-S333 PolarHBondContact O-N 2.91Å; S330-F334 WeakPolarHBondContact O-CB 3.42Å; S330-F334 PolarHBondContact O-N 2.78Å
331I95.1Very high91.8Very high49 Ų4941.3 Ų41.325%0.25122%0.217SC..Hα-helixtrans-62-44.5176.8-69171.9000110.4F42 V43 L327 F334 F335F42-I331 HydrophobicContact CD1-CG2 3.92Å; F42-I331 HydrophobicContact CE1-CG2 3.75Å; V43-I331 HydrophobicContact CG2-CB 4.43Å; V43-I331 HydrophobicContact CG2-CG2 3.75Å; L327-I331 HydrophobicContact CD1-CD1 3.6Å; L327-I331 HydrophobicContact CD1-CG1 4.14Å; L327-I331 HydrophobicContact CG-CD1 3.91Å; L327-I331 WeakPolarHBondContact O-CB 3.43Å; L327-I331 WeakPolarHBondContact O-CD1 2.96Å; L327-I331 WeakPolarHBondContact O-CG1 3.41Å; L327-I331 PolarHBondContact O-N 3.46Å; L327-I331 VanDerWaalsContact O-N 3.1Å; I331-F334 PolarHBondContact O-N 2.97Å; I331-F335 HydrophobicContact CG2-CD2 3.71Å; I331-F335 HydrophobicContact CG2-CE2 3.68Å; I331-F335 VanDerWaalsContact O-CD2 3.25Å; I331-F335 WeakPolarHBondContact O-CD2 3.5Å; I331-F335 PolarHBondContact O-N 2.65Å; I331-F335 VanDerWaalsContact O-N 3.14Å
332S93.8Very high91.5Very high25 Ų2546.8 Ų46.818%0.17524%0.239CC..Hα-helixtrans-57.8-53177.3-61.40000111V43 S328 T329 S330 F334 F335 F336V43-S332 WeakPolarHBondContact CG1-OG 3.41Å; S328-S332 WeakPolarHBondContact O-CB 3.04Å; S328-S332 PolarHBondContact O-N 2.79Å; S328-S332 PolarHBondContact O-OG 3.23Å; T329-S332 PolarHBondContact O-N 3.38Å; S330-S332 VanDerWaalsContact C-N 3.34Å; S330-S332 PolarHBondContact O-N 3.44Å; S332-F334 VanDerWaalsContact C-N 3.34Å; S332-F334 PolarHBondContact O-N 3.31Å; S332-F335 PolarHBondContact O-N 3.5Å; S332-F336 WeakPolarHBondContact O-CB 3.26Å; S332-F336 WeakPolarHBondContact O-CD2 3.36Å; S332-F336 PolarHBondContact O-N 2.98Å
333S94.3Very high91.1Very high17 Ų1746 Ų4612%0.11924%0.235CC..Hα-helixtrans-63.6-37.4-176.7-68.70000112.7A259 T329 S330 F336 V337A259-S333 WeakPolarHBondContact CB-OG 3.37Å; T329-S333 WeakPolarHBondContact O-CB 3.27Å; T329-S333 PolarHBondContact O-N 2.93Å; T329-S333 PolarHBondContact O-OG 3.48Å; S330-S333 PolarHBondContact O-N 2.91Å; S333-F336 PolarHBondContact O-N 3.45Å; S333-V337 WeakPolarHBondContact O-CG2 3.33Å; S333-V337 PolarHBondContact O-N 3.31Å
334F95.4Very high90.5Very high83 Ų8344.2 Ų44.236%0.36422%0.219SC..Hα-helixtrans-55.6-58171.7176-97.6000110.6P256 S330 I331 S332 F336 V337 T338P256-F334 HydrophobicContact CG-CB 3.69Å; P256-F334 HydrophobicContact CG-CD2 4.34Å; S330-F334 WeakPolarHBondContact O-CB 3.42Å; S330-F334 PolarHBondContact O-N 2.78Å; I331-F334 PolarHBondContact O-N 2.97Å; S332-F334 VanDerWaalsContact C-N 3.34Å; S332-F334 PolarHBondContact O-N 3.31Å; F334-F336 VanDerWaalsContact C-N 3.31Å; F334-F336 PolarHBondContact O-N 3.39Å; F334-V337 PolarHBondContact O-N 3.47Å; F334-T338 HydrophobicContact CD2-CG2 4.41Å; F334-T338 HydrophobicContact CE1-CG2 4.19Å; F334-T338 HydrophobicContact CE2-CG2 4.06Å; F334-T338 HydrophobicContact CZ-CG2 3.93Å; F334-T338 WeakPolarHBondContact O-CG2 3.46Å; F334-T338 PolarHBondContact O-N 3.11Å; F334-T338 PolarHBondContact O-OG1 3.32Å
335F93.9Very high89.7Confident67 Ų6748.1 Ų48.129%0.29423%0.234SC..Hα-helixtrans-66.1-34.2-177.9-77.1-64.3000112.8I39 F42 I331 S332 T338 T339I39-F335 HydrophobicContact CD1-CB 3.8Å; I39-F335 HydrophobicContact CG1-CB 3.8Å; I39-F335 HydrophobicContact CG2-CB 4.06Å; F42-F335 HydrophobicContact CD1-CD2 4.38Å; F42-F335 AromaticContact CD1-CE2 3.75Å; F42-F335 HydrophobicContact CD1-CE2 3.75Å; F42-F335 AromaticContact CE1-CE2 3.7Å; F42-F335 HydrophobicContact CE1-CE2 3.7Å; F42-F335 HydrophobicContact CE1-CZ 4.33Å; I331-F335 HydrophobicContact CG2-CD2 3.71Å; I331-F335 HydrophobicContact CG2-CE2 3.68Å; I331-F335 VanDerWaalsContact O-CD2 3.25Å; I331-F335 WeakPolarHBondContact O-CD2 3.5Å; I331-F335 PolarHBondContact O-N 2.65Å; I331-F335 VanDerWaalsContact O-N 3.14Å; S332-F335 PolarHBondContact O-N 3.5Å; F335-T338 WeakPolarHBondContact CA-OG1 3.44Å; F335-T338 PolarHBondContact O-OG1 3.26Å; F335-T339 WeakPolarHBondContact O-CB 3.3Å; F335-T339 PolarHBondContact O-N 3.05Å; F335-T339 PolarHBondContact O-OG1 3.26Å
336F89.7Confident89.2Confident89 Ų8950.7 Ų50.739%0.3925%0.248SC..Hα-helixtrans-61.1-48.2175.4-86.3-62.4000110.6I39 S332 S333 F334 Y340I39-F336 HydrophobicContact CD1-CD1 4.19Å; I39-F336 HydrophobicContact CD1-CE1 4.39Å; I39-F336 HydrophobicContact CD1-CG 4.5Å; I39-F336 HydrophobicContact CG2-CE2 4.27Å; I39-F336 HydrophobicContact CG2-CZ 4.45Å; S332-F336 WeakPolarHBondContact O-CB 3.26Å; S332-F336 WeakPolarHBondContact O-CD2 3.36Å; S332-F336 PolarHBondContact O-N 2.98Å; S333-F336 PolarHBondContact O-N 3.45Å; F334-F336 VanDerWaalsContact C-N 3.31Å; F334-F336 PolarHBondContact O-N 3.39Å; F336-Y340 WeakPolarHBondContact O-CA 3.48Å; F336-Y340 WeakPolarHBondContact O-CB 3.32Å; F336-Y340 PolarHBondContact O-N 3.12Å
337V88.4Confident88.6Confident25 Ų2547.7 Ų47.715%0.15223%0.233CC..Hα-helixtrans-64.5-51.1178.5168.60000111.7L248 N251 A255 S333 F334 T339 E341L248-V337 HydrophobicContact CD1-CG1 4.28Å; N251-V337 HydrophobicContact CB-CG1 3.6Å; A255-V337 HydrophobicContact CB-CG2 3.48Å; A255-V337 VanDerWaalsContact CB-CG2 3.48Å; S333-V337 WeakPolarHBondContact O-CG2 3.33Å; S333-V337 PolarHBondContact O-N 3.31Å; F334-V337 PolarHBondContact O-N 3.47Å; V337-T339 PolarHBondContact O-N 2.86Å; V337-E341 WeakPolarHBondContact O-CB 3.23Å; V337-E341 PolarHBondContact O-N 3.4Å; V337-E341 VanDerWaalsContact O-N 3.1Å
338T87.4Confident87.9Confident34 Ų3444 Ų4421%0.20921%0.214CC..Hα-helixtrans-64.6-42.7-175.758.80000111.7S252 F334 F335 F342S252-T338 VanDerWaalsContact OG-CG2 3.31Å; S252-T338 WeakPolarHBondContact OG-CG2 3.4Å; F334-T338 HydrophobicContact CD2-CG2 4.41Å; F334-T338 HydrophobicContact CE1-CG2 4.19Å; F334-T338 HydrophobicContact CE2-CG2 4.06Å; F334-T338 HydrophobicContact CZ-CG2 3.93Å; F334-T338 WeakPolarHBondContact O-CG2 3.46Å; F334-T338 PolarHBondContact O-N 3.11Å; F334-T338 PolarHBondContact O-OG1 3.32Å; F335-T338 WeakPolarHBondContact CA-OG1 3.44Å; F335-T338 PolarHBondContact O-OG1 3.26Å; T338-F342 WeakPolarHBondContact O-CB 3.39Å; T338-F342 PolarHBondContact O-N 3.22Å; T338-F342 VanDerWaalsContact O-N 3.12Å
339T88.2Confident87Confident33 Ų3347.4 Ų47.420%0.20223%0.229CC..Hα-helixtrans-79.7-33.7-176.1-40.30000111.6S35 F335 V337 F342 I343S35-T339 WeakPolarHBondContact OG-CG2 3.37Å; F335-T339 WeakPolarHBondContact O-CB 3.3Å; F335-T339 PolarHBondContact O-N 3.05Å; F335-T339 PolarHBondContact O-OG1 3.26Å; V337-T339 PolarHBondContact O-N 2.86Å; T339-F342 PolarHBondContact O-N 2.62Å; T339-I343 HydrophobicContact CG2-CD1 3.8Å; T339-I343 HydrophobicContact CG2-CG1 4.23Å; T339-I343 WeakPolarHBondContact O-CB 3.32Å; T339-I343 WeakPolarHBondContact O-CD1 3.3Å; T339-I343 WeakPolarHBondContact O-CG1 3.26Å; T339-I343 PolarHBondContact O-N 2.87Å
340Y85.4Confident85.9Confident88 Ų8849.5 Ų49.535%0.34525%0.25SC..Hα-helixtrans-61-46.8173.3177.4-102.3000111.1F28 F336 F342 I343 K344F28-Y340 HydrophobicContact CE2-CE2 4.23Å; F28-Y340 HydrophobicContact CZ-CD2 4.21Å; F28-Y340 AromaticContact CZ-CE2 3.71Å; F28-Y340 HydrophobicContact CZ-CE2 3.71Å; F336-Y340 WeakPolarHBondContact O-CA 3.48Å; F336-Y340 WeakPolarHBondContact O-CB 3.32Å; F336-Y340 PolarHBondContact O-N 3.12Å; Y340-F342 PolarHBondContact O-N 2.93Å; Y340-I343 PolarHBondContact O-N 3.45Å; Y340-K344 HydrophobicContact CD1-CD 4.09Å; Y340-K344 HydrophobicContact CD1-CG 4.44Å; Y340-K344 HydrophobicContact CE1-CD 3.47Å; Y340-K344 VanDerWaalsContact CE1-CD 3.47Å; Y340-K344 HydrophobicContact CE1-CG 4.11Å; Y340-K344 HydrophobicContact CE2-CG 4.48Å; Y340-K344 WeakPolarHBondContact O-CG 3.37Å; Y340-K344 PolarHBondContact O-N 3.36Å
341E80.3Confident84.5Confident34 Ų3456.5 Ų56.516%0.15928%0.28CS..Hα-helixtrans-60.3-46.1176.2-176.358.8-156.100111.5L248 V337 I343 K344 R345L248-E341 HydrophobicContact CD1-CB 3.74Å; L248-E341 HydrophobicContact CD1-CG 3.83Å; L248-E341 HydrophobicContact CD2-CG 4.21Å; L248-E341 HydrophobicContact CG-CG 4.49Å; V337-E341 WeakPolarHBondContact O-CB 3.23Å; V337-E341 PolarHBondContact O-N 3.4Å; V337-E341 VanDerWaalsContact O-N 3.1Å; E341-I343 PolarHBondContact O-N 3.15Å; E341-K344 PolarHBondContact O-N 2.82Å; E341-K344 WeakPolarHBondContact OE2-CE 3.25Å; E341-K344 IonicContact OE2-NZ 3.31Å; E341-K344 PolarHBondContact OE2-NZ 3.38Å; E341-R345 VanDerWaalsContact O-CG 3.32Å; E341-R345 WeakPolarHBondContact O-CG 3.35Å; E341-R345 PolarHBondContact O-N 2.72Å; E341-R345 VanDerWaalsContact O-N 3.1Å; E341-R345 IonicContact OE1-CZ 3.69Å; E341-R345 IonicContact OE1-NE 3.09Å; E341-R345 PolarHBondContact OE1-NE 3.26Å; E341-R345 VanDerWaalsContact OE1-NE 3.09Å; E341-R345 IonicContact OE1-NH2 3.37Å; E341-R345 PolarHBondContact OE1-NH2 2.81Å
342F84Confident83.1Confident120 Ų12056.2 Ų56.253%0.52628%0.279SS..Hα-helixtrans-61.2-41.5176.4-175.4-106.7000113.2T338 T339 Y340 R345 L346T338-F342 WeakPolarHBondContact O-CB 3.39Å; T338-F342 PolarHBondContact O-N 3.22Å; T338-F342 VanDerWaalsContact O-N 3.12Å; T339-F342 PolarHBondContact O-N 2.62Å; Y340-F342 PolarHBondContact O-N 2.93Å; F342-R345 WeakPolarHBondContact O-CB 3.27Å; F342-R345 PolarHBondContact O-N 3.44Å; F342-L346 HydrophobicContact CD1-CD1 3.91Å; F342-L346 HydrophobicContact CE1-CD1 3.38Å; F342-L346 HydrophobicContact CE1-CG 4.17Å; F342-L346 HydrophobicContact CZ-CD1 3.8Å; F342-L346 HydrophobicContact CZ-CD2 4.49Å; F342-L346 HydrophobicContact CZ-CG 4.25Å; F342-L346 WeakPolarHBondContact O-CG 3.23Å; F342-L346 PolarHBondContact O-N 3.44Å
343I85.7Confident81.7Confident6 Ų659.7 Ų59.73%0.03129%0.291CS..Hα-helixtrans-69.1-39.9179.4-71.8163.6000111.5F28 L31 S35 T339 Y340 E341 R345 L346 S347F28-I343 HydrophobicContact CD2-CG2 3.75Å; F28-I343 HydrophobicContact CE2-CG2 3.87Å; L31-I343 HydrophobicContact CB-CG1 4.25Å; L31-I343 HydrophobicContact CB-CG2 3.78Å; L31-I343 HydrophobicContact CD1-CG2 4.45Å; S35-I343 VanDerWaalsContact CB-CD1 3.42Å; T339-I343 HydrophobicContact CG2-CD1 3.8Å; T339-I343 HydrophobicContact CG2-CG1 4.23Å; T339-I343 WeakPolarHBondContact O-CB 3.32Å; T339-I343 WeakPolarHBondContact O-CD1 3.3Å; T339-I343 WeakPolarHBondContact O-CG1 3.26Å; T339-I343 PolarHBondContact O-N 2.87Å; Y340-I343 PolarHBondContact O-N 3.45Å; E341-I343 PolarHBondContact O-N 3.15Å; I343-R345 VanDerWaalsContact C-N 3.31Å; I343-R345 PolarHBondContact O-N 3.37Å; I343-L346 PolarHBondContact O-N 3.13Å; I343-S347 VanDerWaalsContact O-CB 3.31Å; I343-S347 WeakPolarHBondContact O-CB 3.41Å; I343-S347 PolarHBondContact O-N 3.38Å; I343-S347 PolarHBondContact O-OG 2.92Å
344K79.7Confident80Confident29 Ų2964 Ų6413%0.12632%0.318CS..Hα-helixtrans-55.6-50.8173-75.7-170.9-65.2166.30109.6I18 M23 F28 Y340 E341 L346 S347 V348I18-K344 HydrophobicContact CD1-CB 3.87Å; M23-K344 HydrophobicContact CE-CG 4.45Å; M23-K344 HydrophobicContact SD-CB 4Å; M23-K344 HydrophobicContact SD-CG 3.84Å; F28-K344 HydrophobicContact CE2-CG 3.99Å; Y340-K344 HydrophobicContact CD1-CD 4.09Å; Y340-K344 HydrophobicContact CD1-CG 4.44Å; Y340-K344 HydrophobicContact CE1-CD 3.47Å; Y340-K344 VanDerWaalsContact CE1-CD 3.47Å; Y340-K344 HydrophobicContact CE1-CG 4.11Å; Y340-K344 HydrophobicContact CE2-CG 4.48Å; Y340-K344 WeakPolarHBondContact O-CG 3.37Å; Y340-K344 PolarHBondContact O-N 3.36Å; E341-K344 PolarHBondContact O-N 2.82Å; E341-K344 WeakPolarHBondContact OE2-CE 3.25Å; E341-K344 IonicContact OE2-NZ 3.31Å; E341-K344 PolarHBondContact OE2-NZ 3.38Å; K344-L346 VanDerWaalsContact C-N 3.29Å; K344-L346 PolarHBondContact O-N 3.38Å; K344-S347 PolarHBondContact O-N 2.91Å; K344-V348 WeakPolarHBondContact O-CG2 3.39Å; K344-V348 PolarHBondContact O-N 3.33Å; K344-V348 VanDerWaalsContact O-N 3.16Å
345R77Confident78.2Confident83 Ų8365.7 Ų65.731%0.31333%0.327SS..Hα-helixtrans-55-40.5177.2-69.4172.5-176.4-143.1-4.8113.1E341 F342 I343 S347 W358E341-R345 VanDerWaalsContact O-CG 3.32Å; E341-R345 WeakPolarHBondContact O-CG 3.35Å; E341-R345 PolarHBondContact O-N 2.72Å; E341-R345 VanDerWaalsContact O-N 3.1Å; E341-R345 IonicContact OE1-CZ 3.69Å; E341-R345 IonicContact OE1-NE 3.09Å; E341-R345 PolarHBondContact OE1-NE 3.26Å; E341-R345 VanDerWaalsContact OE1-NE 3.09Å; E341-R345 IonicContact OE1-NH2 3.37Å; E341-R345 PolarHBondContact OE1-NH2 2.81Å; F342-R345 WeakPolarHBondContact O-CB 3.27Å; F342-R345 PolarHBondContact O-N 3.44Å; I343-R345 VanDerWaalsContact C-N 3.31Å; I343-R345 PolarHBondContact O-N 3.37Å; R345-S347 VanDerWaalsContact C-N 3.34Å; R345-W358 HydrophobicContact CB-CH2 4.37Å; R345-W358 HydrophobicContact CG-CE3 4.26Å; R345-W358 HydrophobicContact CG-CH2 3.67Å; R345-W358 HydrophobicContact CG-CZ2 4.41Å; R345-W358 HydrophobicContact CG-CZ3 3.58Å
346L81.9Confident76.4Confident66 Ų6663.1 Ų63.135%0.34632%0.317SS..Hα-helixtrans-74-23.6177.4-70.6-179.1000114.1K27 L31 F342 I343 K344K27-L346 WeakPolarHBondContact CE-O 3.48Å; K27-L346 PolarHBondContact NZ-O 3.33Å; L31-L346 HydrophobicContact CD1-CB 4.17Å; F342-L346 HydrophobicContact CD1-CD1 3.91Å; F342-L346 HydrophobicContact CE1-CD1 3.38Å; F342-L346 HydrophobicContact CE1-CG 4.17Å; F342-L346 HydrophobicContact CZ-CD1 3.8Å; F342-L346 HydrophobicContact CZ-CD2 4.49Å; F342-L346 HydrophobicContact CZ-CG 4.25Å; F342-L346 WeakPolarHBondContact O-CG 3.23Å; F342-L346 PolarHBondContact O-N 3.44Å; I343-L346 PolarHBondContact O-N 3.13Å; K344-L346 VanDerWaalsContact C-N 3.29Å; K344-L346 PolarHBondContact O-N 3.38Å
347S82.9Confident74.7Confident1 Ų167.3 Ų67.31%0.00734%0.337CS..Hα-helixtrans-96.8-9.5-172.5-53.20000114.1M23 N24 F28 I343 K344 R345M23-S347 WeakPolarHBondContact CA-O 3.18Å; N24-S347 PolarHBondContact N-O 2.99Å; F28-S347 WeakPolarHBondContact CA-OG 3.34Å; I343-S347 VanDerWaalsContact O-CB 3.31Å; I343-S347 WeakPolarHBondContact O-CB 3.41Å; I343-S347 PolarHBondContact O-N 3.38Å; I343-S347 PolarHBondContact O-OG 2.92Å; K344-S347 PolarHBondContact O-N 2.91Å; R345-S347 VanDerWaalsContact C-N 3.34Å
348V78.6Confident73.1Confident6 Ų673.2 Ų73.24%0.03636%0.357CS..BIsolated β-bridgetrans-58.9139.1173.5-178.40000111I18 M23 K344 L352 K353 L356I18-V348 HydrophobicContact CD1-CG2 4.08Å; I18-V348 HydrophobicContact CG1-CG2 4.5Å; I18-V348 HydrophobicContact CG2-CG2 4.01Å; M23-V348 HydrophobicContact CG-CG2 4.47Å; K344-V348 WeakPolarHBondContact O-CG2 3.39Å; K344-V348 PolarHBondContact O-N 3.33Å; K344-V348 VanDerWaalsContact O-N 3.16Å; V348-L352 HydrophobicContact CG1-CB 3.87Å; V348-K353 HydrophobicContact CG1-CG 4.39Å; V348-L356 HydrophobicContact CB-CD1 4.49Å; V348-L356 HydrophobicContact CG1-CD1 3.74Å; V348-L356 HydrophobicContact CG2-CD1 4.18Å
349H75.4Confident72.4Confident79 Ų7975.2 Ų75.237%0.36636%0.364SS..  trans-55.2139.9173.1-75.2-71.7000111.5M22 E351 L352 K353M22-H349 VanDerWaalsContact C-CD2 3.45Å; M22-H349 PolarHBondContact O-CD2 3.04Å; M22-H349 PolarHBondContact O-N 3.33Å; H349-E351 PolarHBondContact O-N 3.37Å; H349-E351 VanDerWaalsContact O-N 3.11Å; H349-L352 PolarHBondContact O-N 2.96Å; H349-L352 VanDerWaalsContact O-N 3.09Å; H349-K353 PolarHBondContact O-N 3.34Å
350A71Confident71.6Confident80 Ų8077.4 Ų77.466%0.66137%0.373SS*.THydrogen-bonded Turntrans-57.4-31.9-174.500000113L352A350-L352 PolarHBondContact O-N 3.31Å
351E66.7Low70.8Confident172 Ų17276.8 Ų76.880%0.80437%0.374SS*.THydrogen-bonded Turntrans-67.1-31.1-179.7-63.2170.3-163.500113.4H349 P354H349-E351 PolarHBondContact O-N 3.37Å; H349-E351 VanDerWaalsContact O-N 3.11Å; E351-P354 WeakPolarHBondContact O-CD 3.48Å
352L65.5Low70.2Confident44 Ų4479.4 Ų79.423%0.2339%0.387CS..THydrogen-bonded Turntrans-93.1-16.3-176.7-67.2170.6000113.3M22 V348 H349 A350 P354 Q355 L356M22-L352 HydrophobicContact CB-CD1 3.66Å; M22-L352 HydrophobicContact CG-CD1 3.78Å; M22-L352 HydrophobicContact SD-CD1 4.49Å; V348-L352 HydrophobicContact CG1-CB 3.87Å; H349-L352 PolarHBondContact O-N 2.96Å; H349-L352 VanDerWaalsContact O-N 3.09Å; A350-L352 PolarHBondContact O-N 3.31Å; L352-P354 VanDerWaalsContact C-CD 3.44Å; L352-Q355 PolarHBondContact O-N 3.14Å; L352-L356 PolarHBondContact O-N 2.79Å
353K63.7Low69.4Low97 Ų9776.8 Ų76.842%0.42238%0.378SS..THydrogen-bonded Turntrans-51.1-42.8178.4-73-175177.9-175.50115V348 H349 Q355V348-K353 HydrophobicContact CG1-CG 4.39Å; H349-K353 PolarHBondContact O-N 3.34Å; K353-Q355 VanDerWaalsContact C-N 3.32Å
354P59.6Low68.3Low108 Ų10881.5 Ų81.570%0.70140%0.401SS*.THydrogen-bonded Turntrans-75.4-17.8179.727.2-33000114.1E351 L352E351-P354 WeakPolarHBondContact O-CD 3.48Å; L352-P354 VanDerWaalsContact C-CD 3.44Å
355Q58.2Low67.5Low119 Ų11985.3 Ų85.356%0.55642%0.421SS*.THydrogen-bonded Turntrans-84.5-17.8-179.5-64.2-179.43.200112.9L352 K353 H357L352-Q355 PolarHBondContact O-N 3.14Å; K353-Q355 VanDerWaalsContact C-N 3.32Å; Q355-H357 PolarHBondContact O-N 2.73Å
356L55.8Low66.7Low13 Ų1385.5 Ų85.57%0.06843%0.429CS..  trans-78.4107.7179.4-75.2150.3000109.8Q16 I18 V348 L352 W358Q16-L356 HydrophobicContact CB-CD2 4.08Å; I18-L356 HydrophobicContact CG1-CD2 4.35Å; V348-L356 HydrophobicContact CB-CD1 4.49Å; V348-L356 HydrophobicContact CG1-CD1 3.74Å; V348-L356 HydrophobicContact CG2-CD1 4.18Å; L352-L356 PolarHBondContact O-N 2.79Å; L356-W358 HydrophobicContact CB-CD2 4.16Å; L356-W358 VanDerWaalsContact CB-CE2 3.44Å; L356-W358 HydrophobicContact CB-CH2 4.19Å; L356-W358 HydrophobicContact CB-CZ2 3.49Å; L356-W358 VanDerWaalsContact CB-CZ2 3.49Å; L356-W358 HydrophobicContact CD1-CH2 3.77Å; L356-W358 HydrophobicContact CD1-CZ2 3.48Å; L356-W358 VanDerWaalsContact CD1-CZ2 3.48Å; L356-W358 HydrophobicContact CD2-CH2 4.23Å; L356-W358 HydrophobicContact CD2-CZ2 4.35Å; L356-W358 HydrophobicContact CG-CH2 4.28Å; L356-W358 HydrophobicContact CG-CZ2 3.95Å; L356-W358 PolarHBondContact O-NE1 3Å; L356-W358 VanDerWaalsContact O-NE1 3.13Å
357H53.4Low65.5Low177 Ų17787.1 Ų87.182%0.81944%0.436SS*.  trans-76.3127.8157.1-81.3-91.3000108Q355Q355-H357 PolarHBondContact O-N 2.73Å
358W55Low63.9Low149 Ų14994.9 Ų94.956%0.56448%0.475SS*.  trans-111.10-164.7-68.3101.4000114.2I18 R345 L356I18-W358 HydrophobicContact CD1-CH2 3.7Å; I18-W358 HydrophobicContact CD1-CZ3 3.77Å; I18-W358 HydrophobicContact CG1-CH2 4.4Å; I18-W358 HydrophobicContact CG1-CZ3 4.47Å; R345-W358 HydrophobicContact CB-CH2 4.37Å; R345-W358 HydrophobicContact CG-CE3 4.26Å; R345-W358 HydrophobicContact CG-CH2 3.67Å; R345-W358 HydrophobicContact CG-CZ2 4.41Å; R345-W358 HydrophobicContact CG-CZ3 3.58Å; L356-W358 HydrophobicContact CB-CD2 4.16Å; L356-W358 VanDerWaalsContact CB-CE2 3.44Å; L356-W358 HydrophobicContact CB-CH2 4.19Å; L356-W358 HydrophobicContact CB-CZ2 3.49Å; L356-W358 VanDerWaalsContact CB-CZ2 3.49Å; L356-W358 HydrophobicContact CD1-CH2 3.77Å; L356-W358 HydrophobicContact CD1-CZ2 3.48Å; L356-W358 VanDerWaalsContact CD1-CZ2 3.48Å; L356-W358 HydrophobicContact CD2-CH2 4.23Å; L356-W358 HydrophobicContact CD2-CZ2 4.35Å; L356-W358 HydrophobicContact CG-CH2 4.28Å; L356-W358 HydrophobicContact CG-CZ2 3.95Å; L356-W358 PolarHBondContact O-NE1 3Å; L356-W358 VanDerWaalsContact O-NE1 3.13Å

Retrieved 358 of 358 residues in 171.4 ms (Link to these results)