A0A077YXI7_TRITR Loading...

Retinol dehydrogenase 13

AlphaFold DB , UniProt , Accession A0A077YXI7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 357 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.7Low73.3Confident169 Ų169120.7 Ų120.783%0.83359%0.59SS**  0129.90-88.5174.370.600108.6R5M1-R5 HydrophobicContact CE-CB 4.06Å
2S74.3Confident73.4Confident61 Ų61122.5 Ų122.543%0.42760%0.603SS.*  trans-63.1146.7178.567.40000111.4T4 R5 R6S2-T4 PolarHBondContact O-N 2.78Å; S2-T4 VanDerWaalsContact O-N 3.1Å; S2-T4 PolarHBondContact OG-OG1 3.1Å; S2-R5 PolarHBondContact O-N 3.29Å; S2-R6 PolarHBondContact O-N 3.48Å
3L77.3Confident73.6Confident141 Ų141118.9 Ų118.974%0.73858%0.582SS**Hα-helixtrans-49.3-37.9178.7-162.177.2000112.1R6 I7L3-R6 WeakPolarHBondContact O-CB 3.46Å; L3-R6 PolarHBondContact O-N 3.11Å; L3-R6 VanDerWaalsContact O-N 3.16Å; L3-I7 HydrophobicContact CG-CD1 4.49Å; L3-I7 PolarHBondContact O-N 3.16Å; L3-I7 VanDerWaalsContact O-N 3.11Å
4T74.7Confident73.8Confident88 Ų88117.9 Ų117.954%0.5458%0.58SS.*Hα-helixtrans-57.3-47.617638.70000113.5S2 R6 I7 L8S2-T4 PolarHBondContact O-N 2.78Å; S2-T4 VanDerWaalsContact O-N 3.1Å; S2-T4 PolarHBondContact OG-OG1 3.1Å; T4-R6 PolarHBondContact O-N 3.21Å; T4-I7 PolarHBondContact O-N 3.02Å; T4-L8 WeakPolarHBondContact O-CD1 3.46Å; T4-L8 PolarHBondContact O-N 3.07Å
5R72.6Confident74Confident160 Ų160114.8 Ų114.860%0.60457%0.574SS**Hα-helixtrans-64.2-29.7177.9-73.7-172.8-177.4179.32.5112.3M1 S2 R9M1-R5 HydrophobicContact CE-CB 4.06Å; S2-R5 PolarHBondContact O-N 3.29Å; R5-R9 WeakPolarHBondContact O-CB 3.48Å; R5-R9 WeakPolarHBondContact O-CG 3.45Å; R5-R9 PolarHBondContact O-N 3.29Å
6R75.5Confident74.2Confident197 Ų197111.6 Ų111.674%0.74357%0.566SS**Hα-helixtrans-73.4-38.2178.6-149.8176.6-169.5178.52.4111.7S2 L3 T4 S10S2-R6 PolarHBondContact O-N 3.48Å; L3-R6 WeakPolarHBondContact O-CB 3.46Å; L3-R6 PolarHBondContact O-N 3.11Å; L3-R6 VanDerWaalsContact O-N 3.16Å; T4-R6 PolarHBondContact O-N 3.21Å; R6-S10 PolarHBondContact O-N 2.97Å
7I74.2Confident74.5Confident95 Ų95108 Ų10849%0.48755%0.553SS.*Hα-helixtrans-66.7-48.4174.8-65.5168.2000110.7L3 T4 R9 S10 F13L3-I7 HydrophobicContact CG-CD1 4.49Å; L3-I7 PolarHBondContact O-N 3.16Å; L3-I7 VanDerWaalsContact O-N 3.11Å; T4-I7 PolarHBondContact O-N 3.02Å; I7-R9 VanDerWaalsContact C-N 3.25Å; I7-R9 PolarHBondContact O-N 3.28Å; I7-S10 VanDerWaalsContact O-CB 3.24Å; I7-S10 WeakPolarHBondContact O-CB 3.29Å; I7-S10 PolarHBondContact O-N 3.07Å; I7-S10 PolarHBondContact O-OG 3.07Å; I7-F13 WeakPolarHBondContact O-CB 3.24Å
8L72.4Confident74.6Confident99 Ų99104.1 Ų104.152%0.51854%0.543SS..Hα-helixtrans-60.6-31.6178.7-92.3133.5000113.4T4 F13T4-L8 WeakPolarHBondContact O-CD1 3.46Å; T4-L8 PolarHBondContact O-N 3.07Å; L8-F13 HydrophobicContact CD2-CD1 4.48Å; L8-F13 HydrophobicContact CD2-CE1 3.7Å; L8-F13 HydrophobicContact CD2-CZ 4.09Å; L8-F13 HydrophobicContact CG-CE1 4.12Å; L8-F13 HydrophobicContact CG-CZ 4.4Å; L8-F13 VanDerWaalsContact O-CD1 3.29Å; L8-F13 WeakPolarHBondContact O-CD1 3.25Å
9R77.2Confident74.6Confident177 Ų177100.5 Ų100.567%0.66853%0.531SS*.THydrogen-bonded Turntrans-91.6-0.3174.7-69.1-175178-176.2-1.4113.8R5 I7R5-R9 WeakPolarHBondContact O-CB 3.48Å; R5-R9 WeakPolarHBondContact O-CG 3.45Å; R5-R9 PolarHBondContact O-N 3.29Å; I7-R9 VanDerWaalsContact C-N 3.25Å; I7-R9 PolarHBondContact O-N 3.28Å
10S78.9Confident74.8Confident31 Ų3198.6 Ų98.622%0.21753%0.529CS..SBendtrans-63.5139.7179.570.90000109.4R6 I7 L12 F13 L14R6-S10 PolarHBondContact O-N 2.97Å; I7-S10 VanDerWaalsContact O-CB 3.24Å; I7-S10 WeakPolarHBondContact O-CB 3.29Å; I7-S10 PolarHBondContact O-N 3.07Å; I7-S10 PolarHBondContact O-OG 3.07Å; S10-L12 PolarHBondContact O-N 2.71Å; S10-L12 VanDerWaalsContact O-N 3.15Å; S10-F13 PolarHBondContact O-N 3.13Å; S10-F13 VanDerWaalsContact OG-CB 3.25Å; S10-F13 WeakPolarHBondContact OG-CB 3.43Å; S10-F13 PolarHBondContact OG-N 3.15Å; S10-F13 VanDerWaalsContact OG-N 3.13Å; S10-L14 PolarHBondContact O-N 3.48Å
11P76Confident75.1Confident110 Ų11099 Ų9971%0.71454%0.535SS*.Hα-helixtrans-54.2-35176.9-26.333.4000112.4S15P11-S15 WeakPolarHBondContact O-CB 3.17Å; P11-S15 PolarHBondContact O-N 2.77Å; P11-S15 PolarHBondContact O-OG 3.05Å
12L74.7Confident76.2Confident142 Ų14295.7 Ų95.774%0.74352%0.524SS*.Hα-helixtrans-63.4-49.5175.9-72.3165000111.8S10 S15 S16S10-L12 PolarHBondContact O-N 2.71Å; S10-L12 VanDerWaalsContact O-N 3.15Å; L12-S15 PolarHBondContact O-N 2.92Å; L12-S15 PolarHBondContact O-OG 2.91Å; L12-S16 WeakPolarHBondContact O-CB 3.38Å; L12-S16 PolarHBondContact O-N 2.91Å
13F75.6Confident76.1Confident76 Ų7694.6 Ų94.633%0.33351%0.514SS..Hα-helixtrans-63.5-48.3179.3-173.9-93.8000111.7I7 L8 S10 S15 S16 C17I7-F13 WeakPolarHBondContact O-CB 3.24Å; L8-F13 HydrophobicContact CD2-CD1 4.48Å; L8-F13 HydrophobicContact CD2-CE1 3.7Å; L8-F13 HydrophobicContact CD2-CZ 4.09Å; L8-F13 HydrophobicContact CG-CE1 4.12Å; L8-F13 HydrophobicContact CG-CZ 4.4Å; L8-F13 VanDerWaalsContact O-CD1 3.29Å; L8-F13 WeakPolarHBondContact O-CD1 3.25Å; S10-F13 PolarHBondContact O-N 3.13Å; S10-F13 VanDerWaalsContact OG-CB 3.25Å; S10-F13 WeakPolarHBondContact OG-CB 3.43Å; S10-F13 PolarHBondContact OG-N 3.15Å; S10-F13 VanDerWaalsContact OG-N 3.13Å; F13-S15 VanDerWaalsContact C-N 3.33Å; F13-S15 PolarHBondContact O-N 3.09Å; F13-S16 PolarHBondContact O-N 3.39Å; F13-S16 VanDerWaalsContact O-N 3.09Å; F13-S16 PolarHBondContact O-OG 2.7Å; F13-C17 WeakPolarHBondContact CE1-SG 3.33Å; F13-C17 PolarHBondContact O-N 3.14Å; F13-C17 PolarHBondContact O-SG 3.44Å
14L76.3Confident76Confident105 Ų10589.8 Ų89.855%0.5550%0.498SS..Hα-helixtrans-59.9-41.9177-76.2162.5000112.1S10 S16 C17 G18S10-L14 PolarHBondContact O-N 3.48Å; L14-S16 VanDerWaalsContact C-N 3.32Å; L14-S16 PolarHBondContact O-N 3.41Å; L14-C17 PolarHBondContact O-N 3.22Å; L14-G18 PolarHBondContact O-N 2.9Å
15S76.1Confident75.9Confident71 Ų7187.5 Ų87.550%0.49749%0.492SS..Hα-helixtrans-64.9-36.1175.473.90000112.3P11 L12 F13 A19P11-S15 WeakPolarHBondContact O-CB 3.17Å; P11-S15 PolarHBondContact O-N 2.77Å; P11-S15 PolarHBondContact O-OG 3.05Å; L12-S15 PolarHBondContact O-N 2.92Å; L12-S15 PolarHBondContact O-OG 2.91Å; F13-S15 VanDerWaalsContact C-N 3.33Å; F13-S15 PolarHBondContact O-N 3.09Å; S15-A19 WeakPolarHBondContact O-CB 3.36Å; S15-A19 PolarHBondContact O-N 3.46Å
16S78Confident75.8Confident63 Ų6382.5 Ų82.544%0.44149%0.485SS..Hα-helixtrans-70-42.4177.477.80000112.1L12 F13 L14 A19 A20L12-S16 WeakPolarHBondContact O-CB 3.38Å; L12-S16 PolarHBondContact O-N 2.91Å; F13-S16 PolarHBondContact O-N 3.39Å; F13-S16 VanDerWaalsContact O-N 3.09Å; F13-S16 PolarHBondContact O-OG 2.7Å; L14-S16 VanDerWaalsContact C-N 3.32Å; L14-S16 PolarHBondContact O-N 3.41Å; S16-A19 PolarHBondContact O-N 3.47Å; S16-A20 WeakPolarHBondContact O-CB 3.18Å; S16-A20 PolarHBondContact O-N 2.92Å
17C78.5Confident75.6Confident51 Ų5175.1 Ų75.135%0.34546%0.461SS..Hα-helixtrans-62.2-45.9172.8-690000111.2F13 L14 A19 A20 V21F13-C17 WeakPolarHBondContact CE1-SG 3.33Å; F13-C17 PolarHBondContact O-N 3.14Å; F13-C17 PolarHBondContact O-SG 3.44Å; L14-C17 PolarHBondContact O-N 3.22Å; C17-A19 VanDerWaalsContact C-N 3.35Å; C17-A19 PolarHBondContact O-N 2.88Å; C17-A20 PolarHBondContact O-N 3.38Å; C17-V21 WeakPolarHBondContact O-CG2 3.44Å; C17-V21 PolarHBondContact O-N 2.9Å
18G77.1Confident75.6Confident37 Ų3777.5 Ų77.538%0.38147%0.468SS..Hα-helixtrans-58.5-45.3175.600000112.2L14 V21 V22L14-G18 PolarHBondContact O-N 2.9Å; G18-V21 PolarHBondContact O-N 2.78Å; G18-V22 VanDerWaalsContact O-CG2 3.29Å; G18-V22 WeakPolarHBondContact O-CG2 3.27Å; G18-V22 PolarHBondContact O-N 3.36Å
19A75.3Confident75.6Confident37 Ų3779.6 Ų79.631%0.30647%0.471SS..Hα-helixtrans-62.8-42.4175.600000112.2S15 S16 C17 V22 L23S15-A19 WeakPolarHBondContact O-CB 3.36Å; S15-A19 PolarHBondContact O-N 3.46Å; S16-A19 PolarHBondContact O-N 3.47Å; C17-A19 VanDerWaalsContact C-N 3.35Å; C17-A19 PolarHBondContact O-N 2.88Å; A19-V22 PolarHBondContact O-N 2.82Å; A19-L23 WeakPolarHBondContact O-CB 3.29Å; A19-L23 WeakPolarHBondContact O-CG 3.25Å; A19-L23 PolarHBondContact O-N 3.3Å
20A78.4Confident75.2Confident61 Ų6174.8 Ų74.850%0.50445%0.454SS..Hα-helixtrans-63.5-42.8177.500000112.2S16 C17 L23 G24S16-A20 WeakPolarHBondContact O-CB 3.18Å; S16-A20 PolarHBondContact O-N 2.92Å; C17-A20 PolarHBondContact O-N 3.38Å; A20-L23 PolarHBondContact O-N 3.48Å; A20-G24 PolarHBondContact O-N 2.98Å
21V80.4Confident74.8Confident108 Ų10877.5 Ų77.566%0.65546%0.464SS*.Hα-helixtrans-65.3-44.2176.2172.40000111.2C17 G18 L23 G24 G25C17-V21 WeakPolarHBondContact O-CG2 3.44Å; C17-V21 PolarHBondContact O-N 2.9Å; G18-V21 PolarHBondContact O-N 2.78Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 3.46Å; V21-G24 PolarHBondContact O-N 3.46Å; V21-G25 PolarHBondContact O-N 3.43Å
22V76.1Confident74.7Confident99 Ų9974.1 Ų74.160%0.644%0.442SS*.Hα-helixtrans-63.1-41.2176.8171.20000111G18 A19 A26G18-V22 VanDerWaalsContact O-CG2 3.29Å; G18-V22 WeakPolarHBondContact O-CG2 3.27Å; G18-V22 PolarHBondContact O-N 3.36Å; A19-V22 PolarHBondContact O-N 2.82Å; V22-A26 VanDerWaalsContact O-CB 3.22Å; V22-A26 WeakPolarHBondContact O-CB 3.32Å; V22-A26 PolarHBondContact O-N 3.44Å
23L73.7Confident74.7Confident39 Ų3968.5 Ų68.520%0.20441%0.413CS..Hα-helixtrans-68.8-46.6177.6-71.9170000112A19 A20 V21 A26 V27 V271 A275A19-L23 WeakPolarHBondContact O-CB 3.29Å; A19-L23 WeakPolarHBondContact O-CG 3.25Å; A19-L23 PolarHBondContact O-N 3.3Å; A20-L23 PolarHBondContact O-N 3.48Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-L23 PolarHBondContact O-N 3.46Å; L23-A26 PolarHBondContact O-N 2.72Å; L23-V27 WeakPolarHBondContact O-CB 3.45Å; L23-V27 VanDerWaalsContact O-CG2 3.25Å; L23-V27 WeakPolarHBondContact O-CG2 3.19Å; L23-V27 PolarHBondContact O-N 3.22Å; L23-V271 HydrophobicContact CD2-CG1 4.18Å; L23-V271 WeakPolarHBondContact CD2-O 3.23Å; L23-V271 HydrophobicContact CG-CG1 4.45Å; L23-A275 HydrophobicContact CD2-CB 4Å
24G73.5Confident74.6Confident40 Ų4065.5 Ų65.541%0.41240%0.402SS..Hα-helixtrans-59.9-46.8175.800000111.5A20 V21 A26 V27 F28A20-G24 PolarHBondContact O-N 2.98Å; V21-G24 PolarHBondContact O-N 3.46Å; G24-A26 PolarHBondContact O-N 2.78Å; G24-V27 PolarHBondContact O-N 3.4Å; G24-F28 VanDerWaalsContact O-CB 3.27Å; G24-F28 WeakPolarHBondContact O-CB 3.45Å; G24-F28 PolarHBondContact O-N 2.89Å
25G73.1Confident74.6Confident40 Ų4060.8 Ų60.841%0.41238%0.377SS..Hα-helixtrans-61.2-41.9174.700000112.8V21 Y29V21-G25 PolarHBondContact O-N 3.43Å; G25-Y29 WeakPolarHBondContact O-CB 3.48Å; G25-Y29 PolarHBondContact O-N 3.38Å
26A71.3Confident74.9Confident54 Ų5462.2 Ų62.245%0.44639%0.386SS..Hα-helixtrans-68.2-37.1176.500000112.8V22 L23 G24 K30V22-A26 VanDerWaalsContact O-CB 3.22Å; V22-A26 WeakPolarHBondContact O-CB 3.32Å; V22-A26 PolarHBondContact O-N 3.44Å; L23-A26 PolarHBondContact O-N 2.72Å; G24-A26 PolarHBondContact O-N 2.78Å; A26-K30 WeakPolarHBondContact O-CB 3.12Å; A26-K30 PolarHBondContact O-N 2.77Å
27V71.3Confident75.3Confident42 Ų4261.3 Ų61.326%0.25537%0.374SS..Hα-helixtrans-65.7-52.2174.8164.10000110.2L23 G24 Y29 K30 E31 A275 L280L23-V27 WeakPolarHBondContact O-CB 3.45Å; L23-V27 VanDerWaalsContact O-CG2 3.25Å; L23-V27 WeakPolarHBondContact O-CG2 3.19Å; L23-V27 PolarHBondContact O-N 3.22Å; G24-V27 PolarHBondContact O-N 3.4Å; V27-Y29 PolarHBondContact O-N 2.83Å; V27-K30 CarbonylContact O-C 3.52Å; V27-K30 WeakPolarHBondContact O-CB 3.41Å; V27-K30 PolarHBondContact O-N 3.5Å; V27-E31 PolarHBondContact O-N 2.96Å; V27-A275 HydrophobicContact CG2-CB 4.17Å; V27-L280 HydrophobicContact CG1-CD1 3.53Å
28F74.5Confident75.8Confident145 Ų14566.1 Ų66.164%0.63639%0.389SS*.Hα-helixtrans-59.4-47.5177.1-179.7-97.4000111.5G24 K30 E31 S32G24-F28 VanDerWaalsContact O-CB 3.27Å; G24-F28 WeakPolarHBondContact O-CB 3.45Å; G24-F28 PolarHBondContact O-N 2.89Å; F28-K30 VanDerWaalsContact C-N 3.32Å; F28-K30 PolarHBondContact O-N 3.14Å; F28-E31 CarbonylContact O-C 3.6Å; F28-E31 WeakPolarHBondContact O-CB 3.15Å; F28-E31 PolarHBondContact O-N 3.29Å; F28-E31 VanDerWaalsContact O-N 3.14Å; F28-S32 WeakPolarHBondContact O-CB 3.28Å; F28-S32 PolarHBondContact O-N 3.19Å; F28-S32 PolarHBondContact O-OG 3.07Å
29Y72.2Confident76.3Confident144 Ų14465.5 Ų65.557%0.56538%0.377SS*.Hα-helixtrans-58.3-46.9175.8178.6-111.8000110.8G25 V27 E31 S32 I33G25-Y29 WeakPolarHBondContact O-CB 3.48Å; G25-Y29 PolarHBondContact O-N 3.38Å; V27-Y29 PolarHBondContact O-N 2.83Å; Y29-E31 VanDerWaalsContact C-N 3.32Å; Y29-E31 PolarHBondContact O-N 2.9Å; Y29-S32 WeakPolarHBondContact CA-OG 3.22Å; Y29-S32 PolarHBondContact O-N 2.87Å; Y29-S32 PolarHBondContact O-OG 3.01Å; Y29-I33 HydrophobicContact CD1-CD1 4.02Å; Y29-I33 HydrophobicContact CD2-CG2 4.23Å; Y29-I33 HydrophobicContact CE1-CD1 3.67Å; Y29-I33 HydrophobicContact CE2-CG2 3.84Å; Y29-I33 VanDerWaalsContact O-CG1 3.32Å; Y29-I33 WeakPolarHBondContact O-CG1 3.34Å; Y29-I33 WeakPolarHBondContact O-CG2 3.16Å; Y29-I33 PolarHBondContact O-N 3.35Å; Y29-I33 VanDerWaalsContact O-N 3.15Å
30K68.5Low76.7Confident75 Ų7570.7 Ų70.733%0.32640%0.4SS..Hα-helixtrans-62.1-38.4177.3-171.8-173.8168.9-169.70111.5A26 V27 F28 S34 L280 K285A26-K30 WeakPolarHBondContact O-CB 3.12Å; A26-K30 PolarHBondContact O-N 2.77Å; V27-K30 CarbonylContact O-C 3.52Å; V27-K30 WeakPolarHBondContact O-CB 3.41Å; V27-K30 PolarHBondContact O-N 3.5Å; F28-K30 VanDerWaalsContact C-N 3.32Å; F28-K30 PolarHBondContact O-N 3.14Å; K30-S34 PolarHBondContact O-OG 3.35Å; K30-L280 WeakPolarHBondContact CE-O 3.36Å; K30-L280 PolarHBondContact NZ-O 3.39Å; K30-K285 VanDerWaalsContact C-NZ 3.25Å; K30-K285 PolarHBondContact O-NZ 2.8Å
31E70.5Confident77.1Confident89 Ų8970.8 Ų70.842%0.41640%0.397SS..Hα-helixtrans-63.2-49.8171.4-85.2178.6156.800112.4V27 F28 Y29 I33 S34 L280V27-E31 PolarHBondContact O-N 2.96Å; F28-E31 CarbonylContact O-C 3.6Å; F28-E31 WeakPolarHBondContact O-CB 3.15Å; F28-E31 PolarHBondContact O-N 3.29Å; F28-E31 VanDerWaalsContact O-N 3.14Å; Y29-E31 VanDerWaalsContact C-N 3.32Å; Y29-E31 PolarHBondContact O-N 2.9Å; E31-I33 PolarHBondContact O-N 2.95Å; E31-I33 VanDerWaalsContact O-N 3.11Å; E31-S34 PolarHBondContact O-N 3.46Å; E31-L280 HydrophobicContact CG-CD1 3.5Å; E31-L280 VanDerWaalsContact CG-CD1 3.5Å; E31-L280 HydrophobicContact CG-CD2 3.35Å; E31-L280 HydrophobicContact CG-CG 3.99Å; E31-L280 VanDerWaalsContact OE1-CD1 3.28Å; E31-L280 WeakPolarHBondContact OE1-CD1 2.88Å; E31-L280 VanDerWaalsContact OE1-CD2 3.28Å; E31-L280 WeakPolarHBondContact OE1-CD2 3.28Å
32S73.7Confident77.7Confident38 Ų3873.9 Ų73.927%0.26640%0.401SS..Hα-helixtrans-60-28-175.6720000113.4F28 Y29 K314F28-S32 WeakPolarHBondContact O-CB 3.28Å; F28-S32 PolarHBondContact O-N 3.19Å; F28-S32 PolarHBondContact O-OG 3.07Å; Y29-S32 WeakPolarHBondContact CA-OG 3.22Å; Y29-S32 PolarHBondContact O-N 2.87Å; Y29-S32 PolarHBondContact O-OG 3.01Å; S32-K314 WeakPolarHBondContact O-CD 3.2Å; S32-K314 WeakPolarHBondContact O-CE 3.3Å; S32-K314 PolarHBondContact O-NZ 2.92Å
33I74.1Confident78.6Confident24 Ų2469.7 Ų69.712%0.12338%0.376CS..THydrogen-bonded Turntrans-10111.2-178.571-173.4000113.5Y29 E31 Y309 R311Y29-I33 HydrophobicContact CD1-CD1 4.02Å; Y29-I33 HydrophobicContact CD2-CG2 4.23Å; Y29-I33 HydrophobicContact CE1-CD1 3.67Å; Y29-I33 HydrophobicContact CE2-CG2 3.84Å; Y29-I33 VanDerWaalsContact O-CG1 3.32Å; Y29-I33 WeakPolarHBondContact O-CG1 3.34Å; Y29-I33 WeakPolarHBondContact O-CG2 3.16Å; Y29-I33 PolarHBondContact O-N 3.35Å; Y29-I33 VanDerWaalsContact O-N 3.15Å; E31-I33 PolarHBondContact O-N 2.95Å; E31-I33 VanDerWaalsContact O-N 3.11Å; I33-Y309 WeakPolarHBondContact O-CE1 3.48Å; I33-Y309 PolarHBondContact O-OH 2.81Å; I33-Y309 VanDerWaalsContact O-OH 3.08Å; I33-R311 HydrophobicContact CB-CB 4.17Å; I33-R311 HydrophobicContact CB-CG 4.32Å
34S73.9Confident79.5Confident14 Ų1472.1 Ų72.110%0.09839%0.389CS..SBendtrans-103.5157-175.4-68.70000113.6K30 E31 C36 K285 Y309K30-S34 PolarHBondContact O-OG 3.35Å; E31-S34 PolarHBondContact O-N 3.46Å; S34-C36 PolarHBondContact O-N 2.78Å; S34-C36 VanDerWaalsContact O-N 3.1Å; S34-C36 PolarHBondContact O-SG 3.18Å; S34-C36 VanDerWaalsContact O-SG 3.4Å; S34-K285 WeakPolarHBondContact OG-CD 3.4Å; S34-K285 WeakPolarHBondContact OG-CE 3.3Å; S34-K285 PolarHBondContact OG-NZ 3.22Å; S34-Y309 WeakPolarHBondContact CA-OH 3.17Å; S34-Y309 PolarHBondContact O-OH 2.8Å; S34-Y309 VanDerWaalsContact O-OH 3.08Å
35C76.1Confident80.5Confident5 Ų577.5 Ų77.53%0.03441%0.408CS..  trans-65.3114.7176.3-171.50000108.7Y37 N288 A289 Y309C35-Y37 VanDerWaalsContact C-N 3.34Å; C35-N288 HydrophobicContact CB-CB 4.02Å; C35-N288 WeakPolarHBondContact O-CB 3.27Å; C35-N288 PolarHBondContact O-ND2 2.95Å; C35-A289 HydrophobicContact CB-CB 4.29Å; C35-Y309 HydrophobicContact CB-CD2 3.8Å; C35-Y309 HydrophobicContact CB-CE2 3.37Å; C35-Y309 PolarHBondContact N-OH 3.49Å
36C83Confident81.6Confident102 Ų10277 Ų7769%0.68940%0.397SS*.  trans-92.64.7178.1-650000112.7S34 K38S34-C36 PolarHBondContact O-N 2.78Å; S34-C36 VanDerWaalsContact O-N 3.1Å; S34-C36 PolarHBondContact O-SG 3.18Å; S34-C36 VanDerWaalsContact O-SG 3.4Å; C36-K38 PolarHBondContact O-N 3.22Å
37Y87.1Confident82.9Confident44 Ų4475.1 Ų75.117%0.17338%0.38CS..  trans-54.2129.2-179-179.9-101.4000111C35 V39 N288 L291 L292 S296C35-Y37 VanDerWaalsContact C-N 3.34Å; Y37-V39 HydrophobicContact CE1-CG2 3.99Å; Y37-N288 WeakPolarHBondContact O-CB 3.34Å; Y37-N288 PolarHBondContact O-OD1 3.07Å; Y37-L291 HydrophobicContact CD1-CB 4.01Å; Y37-L291 HydrophobicContact CE1-CB 3.87Å; Y37-L291 WeakPolarHBondContact CE1-O 3.44Å; Y37-L292 VanDerWaalsContact CD1-CA 3.46Å; Y37-L292 HydrophobicContact CD1-CB 3.74Å; Y37-L292 HydrophobicContact CD2-CB 4.15Å; Y37-L292 HydrophobicContact CD2-CD1 3.42Å; Y37-L292 VanDerWaalsContact CD2-CD1 3.42Å; Y37-L292 HydrophobicContact CD2-CG 4.33Å; Y37-L292 VanDerWaalsContact CE1-CA 3.46Å; Y37-L292 HydrophobicContact CE1-CB 4.24Å; Y37-L292 VanDerWaalsContact CE1-N 3.3Å; Y37-L292 HydrophobicContact CE2-CD1 3.71Å; Y37-L292 HydrophobicContact CG-CB 3.67Å; Y37-L292 HydrophobicContact CG-CD1 3.86Å; Y37-L292 HydrophobicContact CG-CG 4.28Å; Y37-S296 PolarHBondContact OH-N 3.31Å
38K87.6Confident84.1Confident152 Ų15273.1 Ų73.166%0.66137%0.368SS*.  trans-122.2144.9173.1-167.5178.8178.3-173.60107C36 D40C36-K38 PolarHBondContact O-N 3.22Å; K38-D40 PolarHBondContact O-N 2.94Å
39V88Confident85.3Confident23 Ų2366.2 Ų66.214%0.13934%0.337CS..  trans-75.5110.3173.6179.40000107Y37 S41 L43 A68 L291 V295Y37-V39 HydrophobicContact CE1-CG2 3.99Å; V39-S41 VanDerWaalsContact CG1-O 3.28Å; V39-S41 WeakPolarHBondContact CG1-O 3.48Å; V39-L43 HydrophobicContact CG1-CD1 4.04Å; V39-L43 HydrophobicContact CG1-CD2 4.32Å; V39-L43 HydrophobicContact CG1-CG 4.04Å; V39-A68 HydrophobicContact CB-CB 4.06Å; V39-A68 HydrophobicContact CG1-CB 3.8Å; V39-L291 HydrophobicContact CG2-CB 4.15Å; V39-L291 HydrophobicContact CG2-CD1 3.94Å; V39-V295 HydrophobicContact CG1-CG1 4.12Å
40D83.8Confident86.4Confident147 Ų14759.3 Ų59.379%0.78631%0.31SS*.  trans-89.1-11.8-176.6-60.6-31.5000112.7K38K38-D40 PolarHBondContact O-N 2.94Å
41S86.7Confident87.5Confident62 Ų6255.9 Ų55.943%0.43430%0.295SS..SBendtrans-102.8147.4178.559.50000112.6V39V39-S41 VanDerWaalsContact CG1-O 3.28Å; V39-S41 WeakPolarHBondContact CG1-O 3.48Å
42K92.9Very high88.3Confident174 Ų17452.9 Ų52.976%0.75729%0.288SS*.  trans-69.3138.2167.5-68.3-166.4177.8-175.60111.2D44K42-D44 WeakPolarHBondContact CD-OD2 3.22Å
43L95.7Very high89.1Confident11 Ų1151 Ų516%0.05828%0.276CS..  trans-109.525.3-179.4-60.7-173.2000112.2V39 N45 V46 L65 A68 A70 V295V39-L43 HydrophobicContact CG1-CD1 4.04Å; V39-L43 HydrophobicContact CG1-CD2 4.32Å; V39-L43 HydrophobicContact CG1-CG 4.04Å; L43-N45 PolarHBondContact O-N 3.46Å; L43-V46 HydrophobicContact CB-CB 4.01Å; L43-V46 HydrophobicContact CB-CG2 4.02Å; L43-V46 HydrophobicContact CD2-CG2 4.01Å; L43-V46 WeakPolarHBondContact O-CB 3.45Å; L43-V46 PolarHBondContact O-N 3.06Å; L43-L65 HydrophobicContact CD1-CD2 3.95Å; L43-A68 HydrophobicContact CB-CB 4.36Å; L43-A68 HydrophobicContact CD1-CB 3.84Å; L43-A68 HydrophobicContact CG-CB 3.92Å; L43-A68 PolarHBondContact N-O 3.18Å; L43-A70 HydrophobicContact CB-CB 3.81Å; L43-A70 HydrophobicContact CD1-CB 4.25Å; L43-A70 VanDerWaalsContact O-CA 3.3Å; L43-A70 WeakPolarHBondContact O-CA 3.47Å; L43-V295 HydrophobicContact CD1-CG1 4.43Å; L43-V295 HydrophobicContact CD1-CG2 4.23Å; L43-V295 HydrophobicContact CD2-CG1 3.89Å
44D92.9Very high89.8Confident90 Ų9050.8 Ų50.848%0.48128%0.275SS..THydrogen-bonded Turntrans-55.7-27.8-170.1-62.2-24.3000114.4K42K42-D44 WeakPolarHBondContact CD-OD2 3.22Å
45N93Very high90.3Very high153 Ų15355.2 Ų55.282%0.81830%0.298SS*.THydrogen-bonded Turntrans-103.39.8178.4-65-41000113.8L43 N126L43-N45 PolarHBondContact O-N 3.46Å; N45-N126 PolarHBondContact O-OD1 3.48Å
46V96.6Very high90.7Very high30 Ų3056.3 Ų56.318%0.18231%0.31CS..  trans-98.3122.8-177.7179.20000109.5L43 A70 R71 N126 L127L43-V46 HydrophobicContact CB-CB 4.01Å; L43-V46 HydrophobicContact CB-CG2 4.02Å; L43-V46 HydrophobicContact CD2-CG2 4.01Å; L43-V46 WeakPolarHBondContact O-CB 3.45Å; L43-V46 PolarHBondContact O-N 3.06Å; V46-A70 HydrophobicContact CB-CB 4.46Å; V46-R71 PolarHBondContact O-N 2.84Å; V46-N126 WeakPolarHBondContact CA-OD1 3.4Å; V46-N126 HydrophobicContact CG1-CB 3.93Å; V46-L127 HydrophobicContact CG1-CD1 3.74Å; V46-L127 HydrophobicContact CG1-CG 3.85Å
47V98.1Very high90.7Very high13 Ų1352.3 Ų52.38%0.07928%0.281CS..EExtended strand (participates in β ladder)trans-99.5122.6170.6-170.60000109.7R71 I73 K124 N126 L127V47-R71 CarbonylContact C-O 3.6Å; V47-R71 WeakPolarHBondContact CA-O 2.96Å; V47-R71 HydrophobicContact CG1-CB 4.44Å; V47-R71 HydrophobicContact CG1-CG 4.18Å; V47-R71 HydrophobicContact CG2-CB 4.25Å; V47-I73 HydrophobicContact CG1-CD1 3.78Å; V47-I73 HydrophobicContact CG1-CG1 4.16Å; V47-K124 VanDerWaalsContact CB-O 3.27Å; V47-K124 WeakPolarHBondContact CB-O 3.42Å; V47-K124 WeakPolarHBondContact CG2-O 3.5Å; V47-N126 PolarHBondContact N-OD1 2.93Å; V47-N126 PolarHBondContact O-N 3.4Å; V47-L127 PolarHBondContact O-N 3.1Å
48A98.1Very high90.7Very high0 Ų050.2 Ų50.20%027%0.273CS..EExtended strand (participates in β ladder)trans-116.5124.5179.700000111.7L65 R71 V72 I73 L127A48-L65 HydrophobicContact CB-CD1 3.77Å; A48-R71 PolarHBondContact N-O 3.26Å; A48-V72 CarbonylContact O-C 3.54Å; A48-V72 WeakPolarHBondContact O-CA 3.09Å; A48-I73 PolarHBondContact O-N 2.58Å; A48-L127 CarbonylContact C-O 3.51Å; A48-L127 VanDerWaalsContact CA-O 3.3Å; A48-L127 WeakPolarHBondContact CA-O 3.08Å; A48-L127 HydrophobicContact CB-CB 3.87Å; A48-L127 HydrophobicContact CB-CD1 4.31Å
49V98.2Very high91Very high0 Ų044.2 Ų44.20%025%0.249CC..EExtended strand (participates in β ladder)trans-94.3120.9168.21760000108.5I73 A75 F114 V125 L127 L128 I129V49-I73 HydrophobicContact CG2-CB 4.18Å; V49-I73 HydrophobicContact CG2-CD1 4.25Å; V49-A75 HydrophobicContact CG1-CB 4.46Å; V49-F114 HydrophobicContact CG1-CE1 4Å; V49-F114 HydrophobicContact CG1-CZ 3.77Å; V49-V125 HydrophobicContact CB-CG1 4.47Å; V49-V125 HydrophobicContact CG2-CG1 3.89Å; V49-V125 HydrophobicContact CG2-CG2 4.02Å; V49-L127 PolarHBondContact N-O 3.34Å; V49-L128 HydrophobicContact CB-CD1 3.87Å; V49-L128 HydrophobicContact CG1-CD1 3.76Å; V49-I129 PolarHBondContact O-N 2.85Å
50V96.4Very high91.1Very high0 Ų043.2 Ų43.20%024%0.242CC..EExtended strand (participates in β ladder)trans-119.2118.3179-175.10000109.8A53 L65 V72 I73 A75 I129V50-A53 HydrophobicContact CB-CB 4.14Å; V50-A53 HydrophobicContact CG1-CB 4.05Å; V50-A53 WeakPolarHBondContact O-CB 3.47Å; V50-L65 HydrophobicContact CG2-CD1 3.89Å; V50-V72 HydrophobicContact CG2-CG1 3.92Å; V50-I73 PolarHBondContact N-O 2.86Å; V50-A75 WeakPolarHBondContact O-CB 3.32Å; V50-A75 PolarHBondContact O-N 3.06Å; V50-I129 HydrophobicContact CB-CB 4.44Å; V50-I129 HydrophobicContact CG1-CB 4.26Å; V50-I129 HydrophobicContact CG1-CG2 4.41Å; V50-I129 HydrophobicContact CG2-CB 4.13Å; V50-I129 HydrophobicContact CG2-CG1 4.11Å
51T92.2Very high91.6Very high2 Ų236.2 Ų36.21%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-87.2143174.370.30000111.5A53 A75 L105 I129 N130 N131 A132 L178T51-A53 PolarHBondContact O-N 3.04Å; T51-A75 HydrophobicContact CG2-CB 4.12Å; T51-L105 HydrophobicContact CG2-CD1 4.45Å; T51-I129 PolarHBondContact N-O 3.15Å; T51-I129 PolarHBondContact OG1-O 2.63Å; T51-N130 WeakPolarHBondContact OG1-CA 3.38Å; T51-N131 WeakPolarHBondContact O-CB 3.41Å; T51-N131 PolarHBondContact O-ND2 2.98Å; T51-N131 PolarHBondContact OG1-N 3Å; T51-A132 PolarHBondContact O-N 3.15Å; T51-A132 WeakPolarHBondContact OG1-CB 3.32Å; T51-A132 PolarHBondContact OG1-N 3.01Å; T51-L178 HydrophobicContact CG2-CD2 3.62Å
52G85.5Confident92.1Very high26 Ų2633.2 Ų33.227%0.26818%0.184SC..THydrogen-bonded Turntrans66.330.9-174.100000112.4T54 A75 N131G52-T54 PolarHBondContact O-N 2.82Å; G52-T54 VanDerWaalsContact O-N 3.1Å; G52-A75 PolarHBondContact N-O 3.11Å; G52-N131 PolarHBondContact O-ND2 2.83Å
53A91.5Very high92.2Very high0 Ų026.9 Ų26.90%016%0.155CC..THydrogen-bonded Turntrans-67.9-3.1-174.200000115.3V50 T51 L59 T62 M74V50-A53 HydrophobicContact CB-CB 4.14Å; V50-A53 HydrophobicContact CG1-CB 4.05Å; V50-A53 WeakPolarHBondContact O-CB 3.47Å; T51-A53 PolarHBondContact O-N 3.04Å; A53-L59 VanDerWaalsContact O-CA 3.28Å; A53-L59 WeakPolarHBondContact O-CA 3.41Å; A53-L59 WeakPolarHBondContact O-CD1 3.24Å; A53-T62 WeakPolarHBondContact CB-OG1 3.27Å; A53-M74 HydrophobicContact CB-CB 3.78Å; A53-M74 HydrophobicContact CB-CE 4.01Å; A53-M74 HydrophobicContact CB-CG 3.97Å; A53-M74 WeakPolarHBondContact O-CE 3.34Å
54T88.7Confident92.2Very high18 Ų1828.1 Ų28.111%0.1116%0.16CC..THydrogen-bonded Turntrans-100.5-1.8-171.560.10000114.5G52 M74 S76 K81 C82G52-T54 PolarHBondContact O-N 2.82Å; G52-T54 VanDerWaalsContact O-N 3.1Å; T54-M74 HydrophobicContact CG2-CE 4.46Å; T54-S76 VanDerWaalsContact CG2-OG 3.31Å; T54-S76 WeakPolarHBondContact CG2-OG 3.24Å; T54-K81 WeakPolarHBondContact O-CE 3.27Å; T54-C82 HydrophobicContact CG2-CB 3.84Å
55N83.5Confident92.5Very high108 Ų10823.9 Ų23.958%0.57814%0.138SC*.SBendtrans-155.2164.5175.3-160.414.3000112.5I57 G58 L59N55-I57 PolarHBondContact O-N 2.88Å; N55-G58 PolarHBondContact O-N 3.06Å; N55-L59 PolarHBondContact O-N 2.69Å
56G84.4Confident92.7Very high28 Ų2816.7 Ų16.729%0.28910%0.099SC..Hα-helixtrans56.5-135.916900000113.1L59 A60G56-L59 PolarHBondContact O-N 3.22Å; G56-A60 PolarHBondContact O-N 3.37Å; G56-A60 VanDerWaalsContact O-N 3.15Å
57I83.8Confident92.7Very high17 Ų1720.2 Ų20.29%0.08711%0.114CC..Hα-helixtrans-63.7-45-175.8-57.6172.4000110.2N55 L59 A60 T61 M197 K255 A286 V290N55-I57 PolarHBondContact O-N 2.88Å; I57-L59 VanDerWaalsContact C-N 3.31Å; I57-L59 PolarHBondContact O-N 2.87Å; I57-A60 PolarHBondContact O-N 3.35Å; I57-A60 VanDerWaalsContact O-N 3.1Å; I57-T61 WeakPolarHBondContact O-CB 3.3Å; I57-T61 PolarHBondContact O-N 2.91Å; I57-T61 PolarHBondContact O-OG1 2.68Å; I57-T61 VanDerWaalsContact O-OG1 3.05Å; I57-M197 HydrophobicContact CD1-CE 4.15Å; I57-M197 HydrophobicContact CG2-CE 4.04Å; I57-K255 HydrophobicContact CD1-CD 4.19Å; I57-A286 HydrophobicContact CD1-CB 3.7Å; I57-A286 HydrophobicContact CG1-CB 3.85Å; I57-A286 HydrophobicContact CG2-CB 4.18Å; I57-V290 HydrophobicContact CG2-CG2 4.18Å
58G88.2Confident92.6Very high0 Ų020.3 Ų20.30%012%0.116CC..Hα-helixtrans-55.6-44.1178.500000113.1N55 T61 T62 N131N55-G58 PolarHBondContact O-N 3.06Å; G58-T61 PolarHBondContact O-N 3.35Å; G58-T62 WeakPolarHBondContact O-CB 3.27Å; G58-T62 PolarHBondContact O-N 3.3Å; G58-T62 PolarHBondContact O-OG1 3.23Å; G58-T62 VanDerWaalsContact O-OG1 3.05Å; G58-N131 WeakPolarHBondContact CA-ND2 3.35Å; G58-N131 PolarHBondContact N-ND2 3.02Å; G58-N131 PolarHBondContact N-OD1 2.82Å
59L92.4Very high92.6Very high27 Ų2721 Ų2114%0.14112%0.123CC..Hα-helixtrans-63.8-44.9175.5178.262.9000112.4A53 N55 G56 I57 T61 T62 R63 Q85 I89A53-L59 VanDerWaalsContact O-CA 3.28Å; A53-L59 WeakPolarHBondContact O-CA 3.41Å; A53-L59 WeakPolarHBondContact O-CD1 3.24Å; N55-L59 PolarHBondContact O-N 2.69Å; G56-L59 PolarHBondContact O-N 3.22Å; I57-L59 VanDerWaalsContact C-N 3.31Å; I57-L59 PolarHBondContact O-N 2.87Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-T62 PolarHBondContact O-N 3.1Å; L59-R63 WeakPolarHBondContact O-CB 3.31Å; L59-R63 PolarHBondContact O-N 2.94Å; L59-Q85 HydrophobicContact CD1-CB 3.92Å; L59-Q85 HydrophobicContact CD1-CG 4.22Å; L59-Q85 VanDerWaalsContact CD2-OE1 3.31Å; L59-I89 HydrophobicContact CD1-CD1 3.77Å; L59-I89 HydrophobicContact CD1-CG1 4.44Å
60A91.4Very high92.6Very high1 Ų121 Ų211%0.00812%0.123CC..Hα-helixtrans-64.7-38.7177.600000112.1G56 I57 R63 K64 P283 A287G56-A60 PolarHBondContact O-N 3.37Å; G56-A60 VanDerWaalsContact O-N 3.15Å; I57-A60 PolarHBondContact O-N 3.35Å; I57-A60 VanDerWaalsContact O-N 3.1Å; A60-R63 PolarHBondContact O-N 3.43Å; A60-K64 WeakPolarHBondContact O-CG 3.45Å; A60-K64 PolarHBondContact O-N 3.24Å; A60-P283 HydrophobicContact CB-CB 4.17Å; A60-A287 HydrophobicContact CB-CB 3.68Å
61T93.1Very high92.6Very high0 Ų023.8 Ų23.80%013%0.134CC..Hα-helixtrans-64.1-47.5173.6-59.70000111I57 G58 L59 R63 K64 L65 I129 A287 V290 L291I57-T61 WeakPolarHBondContact O-CB 3.3Å; I57-T61 PolarHBondContact O-N 2.91Å; I57-T61 PolarHBondContact O-OG1 2.68Å; I57-T61 VanDerWaalsContact O-OG1 3.05Å; G58-T61 PolarHBondContact O-N 3.35Å; L59-T61 VanDerWaalsContact C-N 3.34Å; T61-R63 VanDerWaalsContact C-N 3.34Å; T61-R63 PolarHBondContact O-N 3.45Å; T61-K64 PolarHBondContact O-N 3.03Å; T61-L65 HydrophobicContact CG2-CD1 3.93Å; T61-L65 HydrophobicContact CG2-CG 4.43Å; T61-L65 WeakPolarHBondContact O-CB 3.13Å; T61-L65 WeakPolarHBondContact O-CG 3.2Å; T61-L65 PolarHBondContact O-N 3.37Å; T61-I129 HydrophobicContact CG2-CG2 4.43Å; T61-A287 WeakPolarHBondContact OG1-CB 3.4Å; T61-V290 HydrophobicContact CG2-CG1 3.91Å; T61-L291 HydrophobicContact CG2-CD2 4.11Å
62T97.1Very high92.9Very high0 Ų023.7 Ų23.70%013%0.133CC..Hα-helixtrans-56.7-47.3175.6-68.60000111.5A53 G58 L59 L65 A66 V72 M74 I89 V98A53-T62 WeakPolarHBondContact CB-OG1 3.27Å; G58-T62 WeakPolarHBondContact O-CB 3.27Å; G58-T62 PolarHBondContact O-N 3.3Å; G58-T62 PolarHBondContact O-OG1 3.23Å; G58-T62 VanDerWaalsContact O-OG1 3.05Å; L59-T62 PolarHBondContact O-N 3.1Å; T62-L65 PolarHBondContact O-N 3.08Å; T62-A66 WeakPolarHBondContact O-CB 3.27Å; T62-A66 PolarHBondContact O-N 3.45Å; T62-V72 HydrophobicContact CG2-CB 4.37Å; T62-V72 HydrophobicContact CG2-CG1 3.74Å; T62-M74 HydrophobicContact CG2-CE 4.1Å; T62-M74 HydrophobicContact CG2-CG 3.73Å; T62-M74 HydrophobicContact CG2-SD 3.94Å; T62-I89 HydrophobicContact CG2-CD1 3.53Å; T62-V98 HydrophobicContact CG2-CG1 4.38Å
63R96.4Very high93.6Very high40 Ų4022.4 Ų22.415%0.15112%0.12CC..Hα-helixtrans-58.8-50178.5169.9163.938.982.12111.5L59 A60 T61 L65 A66 E67 I89 E92 D284L59-R63 WeakPolarHBondContact O-CB 3.31Å; L59-R63 PolarHBondContact O-N 2.94Å; A60-R63 PolarHBondContact O-N 3.43Å; T61-R63 VanDerWaalsContact C-N 3.34Å; T61-R63 PolarHBondContact O-N 3.45Å; R63-L65 PolarHBondContact O-N 2.99Å; R63-A66 CarbonylContact O-C 3.56Å; R63-A66 WeakPolarHBondContact O-CB 3.3Å; R63-A66 PolarHBondContact O-N 3.08Å; R63-A66 VanDerWaalsContact O-N 3.16Å; R63-E67 HydrophobicContact CG-CG 4.4Å; R63-E67 VanDerWaalsContact CG-OE1 3.24Å; R63-E67 WeakPolarHBondContact CG-OE1 3.31Å; R63-E67 WeakPolarHBondContact O-CG 3.37Å; R63-E67 PolarHBondContact O-N 2.81Å; R63-I89 HydrophobicContact CB-CG1 4.3Å; R63-E92 VanDerWaalsContact CD-OE2 3.3Å; R63-E92 WeakPolarHBondContact CD-OE2 3.44Å; R63-D284 IonicContact CZ-OD1 3.45Å; R63-D284 VanDerWaalsContact CZ-OD1 3.22Å; R63-D284 IonicContact NH1-OD1 3.53Å; R63-D284 PolarHBondContact NH1-OD1 2.85Å; R63-D284 IonicContact NH2-OD1 3.3Å; R63-D284 PolarHBondContact NH2-OD1 3.18Å; R63-D284 IonicContact NH2-OD2 3.76Å
64K95.6Very high93.9Very high38 Ų3822.4 Ų22.417%0.16512%0.12CC..Hα-helixtrans-67.5-34.4-179.2-72.5173.3173.2-74.20113.8A60 T61 A66 A68 A287 N288 L291A60-K64 WeakPolarHBondContact O-CG 3.45Å; A60-K64 PolarHBondContact O-N 3.24Å; T61-K64 PolarHBondContact O-N 3.03Å; K64-A66 VanDerWaalsContact C-N 3.35Å; K64-A68 PolarHBondContact O-N 3.37Å; K64-A68 VanDerWaalsContact O-N 3.14Å; K64-A287 HydrophobicContact CD-CB 4Å; K64-N288 WeakPolarHBondContact CD-OD1 3.24Å; K64-N288 WeakPolarHBondContact CE-OD1 3.33Å; K64-N288 PolarHBondContact NZ-OD1 2.89Å; K64-L291 HydrophobicContact CB-CD1 3.35Å; K64-L291 HydrophobicContact CD-CD1 3.92Å; K64-L291 HydrophobicContact CG-CD1 4.26Å
65L97.7Very high94.2Very high0 Ų021.7 Ų21.70%012%0.116CC..Hα-helixtrans-63.4-43.4170.4-74.6167.6000111.1L43 A48 V50 T61 T62 R63 A68 G69 A70 V72 L127 L291L43-L65 HydrophobicContact CD1-CD2 3.95Å; A48-L65 HydrophobicContact CB-CD1 3.77Å; V50-L65 HydrophobicContact CG2-CD1 3.89Å; T61-L65 HydrophobicContact CG2-CD1 3.93Å; T61-L65 HydrophobicContact CG2-CG 4.43Å; T61-L65 WeakPolarHBondContact O-CB 3.13Å; T61-L65 WeakPolarHBondContact O-CG 3.2Å; T61-L65 PolarHBondContact O-N 3.37Å; T62-L65 PolarHBondContact O-N 3.08Å; R63-L65 PolarHBondContact O-N 2.99Å; L65-A68 PolarHBondContact O-N 3.45Å; L65-G69 PolarHBondContact O-N 3.32Å; L65-A70 HydrophobicContact CB-CB 4.19Å; L65-A70 VanDerWaalsContact O-CB 3.3Å; L65-A70 WeakPolarHBondContact O-CB 3.39Å; L65-A70 PolarHBondContact O-N 3.23Å; L65-V72 HydrophobicContact CB-CG2 3.66Å; L65-L127 HydrophobicContact CD2-CD1 3.96Å; L65-L291 HydrophobicContact CD1-CD2 4.45Å; L65-L291 HydrophobicContact CD2-CD2 3.54Å; L65-L291 HydrophobicContact CG-CD2 3.72Å
66A97.8Very high94.6Very high2 Ų216.9 Ų16.92%0.0179%0.091CC..Hα-helixtrans-66.4-40.5177.300000112.2T62 R63 K64 A68 G69 V72 I89 T93 N95 V98T62-A66 WeakPolarHBondContact O-CB 3.27Å; T62-A66 PolarHBondContact O-N 3.45Å; R63-A66 CarbonylContact O-C 3.56Å; R63-A66 WeakPolarHBondContact O-CB 3.3Å; R63-A66 PolarHBondContact O-N 3.08Å; R63-A66 VanDerWaalsContact O-N 3.16Å; K64-A66 VanDerWaalsContact C-N 3.35Å; A66-A68 PolarHBondContact O-N 2.81Å; A66-G69 PolarHBondContact O-N 3.43Å; A66-V72 HydrophobicContact CB-CG2 4.31Å; A66-I89 HydrophobicContact CB-CG2 3.6Å; A66-T93 HydrophobicContact CB-CG2 4.18Å; A66-N95 HydrophobicContact CB-CB 4.47Å; A66-N95 WeakPolarHBondContact O-CB 3.21Å; A66-N95 PolarHBondContact O-ND2 3.45Å; A66-V98 HydrophobicContact CB-CG2 3.6Å
67E96.3Very high94.7Very high104 Ų10421.3 Ų21.349%0.48610%0.099SC..Hα-helixtrans-56.1-36.7172-74.3169.4-17000111.7R63 G69 T93R63-E67 HydrophobicContact CG-CG 4.4Å; R63-E67 VanDerWaalsContact CG-OE1 3.24Å; R63-E67 WeakPolarHBondContact CG-OE1 3.31Å; R63-E67 WeakPolarHBondContact O-CG 3.37Å; R63-E67 PolarHBondContact O-N 2.81Å; E67-G69 VanDerWaalsContact C-N 3.28Å; E67-G69 PolarHBondContact O-N 2.76Å; E67-T93 HydrophobicContact CB-CG2 4.31Å; E67-T93 HydrophobicContact CG-CG2 3.45Å; E67-T93 VanDerWaalsContact CG-CG2 3.45Å
68A96.6Very high95.1Very high16 Ų1624.4 Ų24.413%0.13212%0.116CC..THydrogen-bonded Turntrans-81.81.5177.500000114.2V39 L43 K64 L65 A66V39-A68 HydrophobicContact CB-CB 4.06Å; V39-A68 HydrophobicContact CG1-CB 3.8Å; L43-A68 HydrophobicContact CB-CB 4.36Å; L43-A68 HydrophobicContact CD1-CB 3.84Å; L43-A68 HydrophobicContact CG-CB 3.92Å; L43-A68 PolarHBondContact N-O 3.18Å; K64-A68 PolarHBondContact O-N 3.37Å; K64-A68 VanDerWaalsContact O-N 3.14Å; L65-A68 PolarHBondContact O-N 3.45Å; A66-A68 PolarHBondContact O-N 2.81Å
69G97.1Very high95.5Very high14 Ų1426.6 Ų26.614%0.14413%0.127CC..THydrogen-bonded Turntrans94.7-4176.700000115.7L65 A66 E67 N95L65-G69 PolarHBondContact O-N 3.32Å; A66-G69 PolarHBondContact O-N 3.43Å; E67-G69 VanDerWaalsContact C-N 3.28Å; E67-G69 PolarHBondContact O-N 2.76Å; G69-N95 PolarHBondContact O-ND2 3.5Å
70A98Very high95.7Very high0 Ų031 Ų310%015%0.15CC..  trans-62148.6-17800000112.7L43 V46 L65 V72 N95L43-A70 HydrophobicContact CB-CB 3.81Å; L43-A70 HydrophobicContact CD1-CB 4.25Å; L43-A70 VanDerWaalsContact O-CA 3.3Å; L43-A70 WeakPolarHBondContact O-CA 3.47Å; V46-A70 HydrophobicContact CB-CB 4.46Å; L65-A70 HydrophobicContact CB-CB 4.19Å; L65-A70 VanDerWaalsContact O-CB 3.3Å; L65-A70 WeakPolarHBondContact O-CB 3.39Å; L65-A70 PolarHBondContact O-N 3.23Å; A70-V72 HydrophobicContact CB-CG2 4.25Å; A70-V72 PolarHBondContact O-N 2.97Å; A70-N95 PolarHBondContact O-ND2 2.89Å
71R98.2Very high95.9Very high58 Ų5834.5 Ų34.522%0.21917%0.165CC..EExtended strand (participates in β ladder)trans-75.3118162.9176.4178.4176.974.6-3.3108.2V46 V47 A48 N97 E123V46-R71 PolarHBondContact O-N 2.84Å; V47-R71 CarbonylContact C-O 3.6Å; V47-R71 WeakPolarHBondContact CA-O 2.96Å; V47-R71 HydrophobicContact CG1-CB 4.44Å; V47-R71 HydrophobicContact CG1-CG 4.18Å; V47-R71 HydrophobicContact CG2-CB 4.25Å; A48-R71 PolarHBondContact N-O 3.26Å; R71-N97 CarbonylContact C-O 3.58Å; R71-N97 VanDerWaalsContact CA-O 3.3Å; R71-N97 WeakPolarHBondContact CA-O 3.47Å; R71-N97 HydrophobicContact CB-CB 4.1Å; R71-N97 HydrophobicContact CG-CB 4.3Å; R71-E123 IonicContact CZ-OE1 2.71Å; R71-E123 VanDerWaalsContact CZ-OE1 3.32Å; R71-E123 IonicContact CZ-OE2 3.22Å; R71-E123 IonicContact NE-OE1 3.32Å; R71-E123 PolarHBondContact NE-OE1 3.14Å; R71-E123 VanDerWaalsContact NE-OE1 3.15Å; R71-E123 IonicContact NE-OE2 3.84Å; R71-E123 PolarHBondContact NE-OE2 3.24Å; R71-E123 IonicContact NH2-OE1 2.69Å; R71-E123 PolarHBondContact NH2-OE1 3.33Å; R71-E123 IonicContact NH2-OE2 2.84Å
72V98.6Very high96.1Very high0 Ų034.5 Ų34.50%017%0.165CC..EExtended strand (participates in β ladder)trans-113.7116.9-177.4-166.30000111.1A48 V50 T62 L65 A66 A70 N97 V98 V99A48-V72 CarbonylContact O-C 3.54Å; A48-V72 WeakPolarHBondContact O-CA 3.09Å; V50-V72 HydrophobicContact CG2-CG1 3.92Å; T62-V72 HydrophobicContact CG2-CB 4.37Å; T62-V72 HydrophobicContact CG2-CG1 3.74Å; L65-V72 HydrophobicContact CB-CG2 3.66Å; A66-V72 HydrophobicContact CB-CG2 4.31Å; A70-V72 HydrophobicContact CB-CG2 4.25Å; A70-V72 PolarHBondContact O-N 2.97Å; V72-N97 PolarHBondContact N-O 3.26Å; V72-V98 HydrophobicContact CB-CG1 4.39Å; V72-V98 WeakPolarHBondContact O-CA 3.45Å; V72-V99 PolarHBondContact O-N 2.84Å
73I98.6Very high96.1Very high0 Ų039.2 Ų39.20%019%0.186CC..EExtended strand (participates in β ladder)trans-92.6101.9173.2-53.8-179.7000108V47 A48 V49 V50 A75 V99 R101 F114 I118 E123V47-I73 HydrophobicContact CG1-CD1 3.78Å; V47-I73 HydrophobicContact CG1-CG1 4.16Å; A48-I73 PolarHBondContact O-N 2.58Å; V49-I73 HydrophobicContact CG2-CB 4.18Å; V49-I73 HydrophobicContact CG2-CD1 4.25Å; V50-I73 PolarHBondContact N-O 2.86Å; I73-A75 PolarHBondContact O-N 3.44Å; I73-V99 HydrophobicContact CB-CG2 4.24Å; I73-V99 HydrophobicContact CG1-CG2 3.82Å; I73-V99 HydrophobicContact CG2-CG2 4.32Å; I73-R101 HydrophobicContact CG2-CB 4.02Å; I73-R101 HydrophobicContact CG2-CG 3.69Å; I73-F114 HydrophobicContact CG2-CE2 4.23Å; I73-F114 HydrophobicContact CG2-CZ 4.04Å; I73-I118 HydrophobicContact CD1-CD1 3.57Å; I73-I118 HydrophobicContact CG2-CD1 4.06Å; I73-E123 HydrophobicContact CD1-CB 4.47Å; I73-E123 HydrophobicContact CD1-CG 4.07Å
74M98.2Very high96.2Very high0 Ų041.7 Ų41.70%020%0.199CC..EExtended strand (participates in β ladder)trans-77.7100.4177.1-60.5178.673.200109.8A53 T54 T62 S76 C82 Q85 R86 I89 V98 V99 R101A53-M74 HydrophobicContact CB-CB 3.78Å; A53-M74 HydrophobicContact CB-CE 4.01Å; A53-M74 HydrophobicContact CB-CG 3.97Å; A53-M74 WeakPolarHBondContact O-CE 3.34Å; T54-M74 HydrophobicContact CG2-CE 4.46Å; T62-M74 HydrophobicContact CG2-CE 4.1Å; T62-M74 HydrophobicContact CG2-CG 3.73Å; T62-M74 HydrophobicContact CG2-SD 3.94Å; M74-S76 PolarHBondContact O-N 3.36Å; M74-C82 VanDerWaalsContact CB-SG 3.58Å; M74-Q85 HydrophobicContact CE-CB 4.1Å; M74-R86 HydrophobicContact SD-CB 3.91Å; M74-R86 HydrophobicContact SD-CG 4.31Å; M74-I89 HydrophobicContact CE-CD1 3.97Å; M74-I89 HydrophobicContact SD-CD1 4.15Å; M74-V98 HydrophobicContact CG-CG1 3.96Å; M74-V98 HydrophobicContact SD-CG1 3.55Å; M74-V98 VanDerWaalsContact SD-CG1 3.55Å; M74-V99 WeakPolarHBondContact CB-O 3.28Å; M74-V99 PolarHBondContact N-O 3Å; M74-R101 PolarHBondContact O-N 3.1Å
75A95.5Very high96.3Very high2 Ų241.1 Ų41.12%0.01720%0.197CC..EExtended strand (participates in β ladder)trans-80.6114.6174.100000109.8V49 V50 T51 G52 I73 C103 F114V49-A75 HydrophobicContact CG1-CB 4.46Å; V50-A75 WeakPolarHBondContact O-CB 3.32Å; V50-A75 PolarHBondContact O-N 3.06Å; T51-A75 HydrophobicContact CG2-CB 4.12Å; G52-A75 PolarHBondContact N-O 3.11Å; I73-A75 PolarHBondContact O-N 3.44Å; A75-C103 HydrophobicContact CB-CB 3.82Å; A75-F114 HydrophobicContact CB-CE2 3.73Å; A75-F114 HydrophobicContact CB-CZ 3.86Å
76S91.6Very high96.4Very high8 Ų845.2 Ų45.26%0.05621%0.212CC..EExtended strand (participates in β ladder)trans-145.4150-175.1-175.20000112.4T54 M74 N78 R101 L102 C103T54-S76 VanDerWaalsContact CG2-OG 3.31Å; T54-S76 WeakPolarHBondContact CG2-OG 3.24Å; M74-S76 PolarHBondContact O-N 3.36Å; S76-N78 PolarHBondContact OG-N 3.46Å; S76-N78 PolarHBondContact OG-O 3.03Å; S76-R101 PolarHBondContact N-O 2.82Å; S76-L102 WeakPolarHBondContact O-CA 3.49Å; S76-C103 CarbonylContact C-O 3.57Å; S76-C103 PolarHBondContact O-N 3.28Å
77R87.1Confident96.4Very high120 Ų12053.1 Ų53.145%0.45324%0.242SC..SBendtrans-83.1-40.3174.5-60.4-172.2-67.1172.80.1112.9L102 C103 D104R77-L102 WeakPolarHBondContact O-CD1 3.42Å; R77-C103 WeakPolarHBondContact CG-O 3.18Å; R77-D104 WeakPolarHBondContact CD-OD1 3.44Å; R77-D104 HydrophobicContact CG-CB 3.77Å; R77-D104 IonicContact NE-OD1 2.64Å; R77-D104 IonicContact NH1-OD1 2.69Å; R77-D104 PolarHBondContact NH1-OD1 3.21Å
78N91.4Very high96.5Very high83 Ų8352.4 Ų52.444%0.44424%0.237SC..  trans-95.2106.1176.3-175.9-40.9000107.6S76 D80 K81 C82S76-N78 PolarHBondContact OG-N 3.46Å; S76-N78 PolarHBondContact OG-O 3.03Å; N78-D80 PolarHBondContact OD1-N 3.4Å; N78-K81 HydrophobicContact CB-CB 4.16Å; N78-K81 WeakPolarHBondContact OD1-CB 2.95Å; N78-K81 PolarHBondContact OD1-N 3.23Å; N78-C82 WeakPolarHBondContact O-CB 3.37Å; N78-C82 PolarHBondContact O-N 2.81Å; N78-C82 VanDerWaalsContact O-N 3.08Å
79M97.1Very high96.5Very high46 Ų4651.8 Ų51.823%0.22723%0.231CC..Hα-helixtrans-76.6-29.8-176.3-73.5-59.2-63.800112.9C82 K83 C100 L102M79-C82 WeakPolarHBondContact O-CB 3.44Å; M79-C82 PolarHBondContact O-N 3.48Å; M79-K83 WeakPolarHBondContact O-CB 3.39Å; M79-K83 VanDerWaalsContact O-CG 3.25Å; M79-K83 WeakPolarHBondContact O-CG 3.5Å; M79-K83 PolarHBondContact O-N 3.16Å; M79-C100 HydrophobicContact CE-CB 3.58Å; M79-C100 HydrophobicContact SD-CB 4.45Å; M79-L102 HydrophobicContact CG-CB 4.15Å; M79-L102 HydrophobicContact CG-CD1 3.91Å; M79-L102 HydrophobicContact SD-CB 3.98Å; M79-L102 HydrophobicContact SD-CD1 4.46Å; M79-L102 PolarHBondContact SD-N 3.02Å
80D97.4Very high96.6Very high120 Ų12052.7 Ų52.764%0.64223%0.234SC*.Hα-helixtrans-68.8-47.5177.7-60-40.1000110.8N78 C82 K83 E84N78-D80 PolarHBondContact OD1-N 3.4Å; D80-C82 VanDerWaalsContact C-N 3.25Å; D80-C82 PolarHBondContact O-N 2.71Å; D80-K83 PolarHBondContact O-N 2.84Å; D80-E84 PolarHBondContact O-N 3.47Å
81K94.2Very high96.6Very high74 Ų7459.5 Ų59.532%0.32227%0.27SS..Hα-helixtrans-59.8-38.1171.3-170.9176.9-177.41720111.5T54 N78 E84 Q85T54-K81 WeakPolarHBondContact O-CE 3.27Å; N78-K81 HydrophobicContact CB-CB 4.16Å; N78-K81 WeakPolarHBondContact OD1-CB 2.95Å; N78-K81 PolarHBondContact OD1-N 3.23Å; K81-E84 PolarHBondContact O-N 2.89Å; K81-Q85 WeakPolarHBondContact O-CG 3.29Å; K81-Q85 PolarHBondContact O-N 2.92Å
82C97.2Very high96.5Very high0 Ų062.7 Ų62.70%029%0.287CS..Hα-helixtrans-61.8-50.1175.5-168.90000111.5T54 M74 N78 M79 D80 E84 Q85 R86 C100T54-C82 HydrophobicContact CG2-CB 3.84Å; M74-C82 VanDerWaalsContact CB-SG 3.58Å; N78-C82 WeakPolarHBondContact O-CB 3.37Å; N78-C82 PolarHBondContact O-N 2.81Å; N78-C82 VanDerWaalsContact O-N 3.08Å; M79-C82 WeakPolarHBondContact O-CB 3.44Å; M79-C82 PolarHBondContact O-N 3.48Å; D80-C82 VanDerWaalsContact C-N 3.25Å; D80-C82 PolarHBondContact O-N 2.71Å; C82-E84 VanDerWaalsContact C-N 3.3Å; C82-E84 PolarHBondContact O-N 3.05Å; C82-Q85 PolarHBondContact O-N 3.25Å; C82-R86 VanDerWaalsContact O-CB 3.23Å; C82-R86 WeakPolarHBondContact O-CB 3.43Å; C82-R86 PolarHBondContact O-N 2.67Å; C82-C100 HydrophobicContact CB-CB 3.94Å; C82-C100 WeakPolarHBondContact CB-SG 3.42Å; C82-C100 PolarHBondContact O-SG 2.81Å; C82-C100 WeakPolarHBondContact SG-CB 3.38Å; C82-C100 CovalentContact SG-SG 2.05Å; C82-C100 PolarHBondContact SG-SG 3.34Å
83K98.3Very high96.4Very high99 Ų9963.9 Ų63.943%0.4330%0.295SS..Hα-helixtrans-60-40.1179-71.2166.5-175172.50111.6M79 D80 R87M79-K83 WeakPolarHBondContact O-CB 3.39Å; M79-K83 VanDerWaalsContact O-CG 3.25Å; M79-K83 WeakPolarHBondContact O-CG 3.5Å; M79-K83 PolarHBondContact O-N 3.16Å; D80-K83 PolarHBondContact O-N 2.84Å; K83-R87 VanDerWaalsContact O-CG 3.31Å; K83-R87 WeakPolarHBondContact O-CG 3.45Å; K83-R87 PolarHBondContact O-N 2.9Å
84E98.2Very high96.4Very high91 Ų9174.5 Ų74.543%0.42534%0.335SS..Hα-helixtrans-60.6-52.1175.8-169.5-152.814600111.7D80 K81 C82 R86 R87 K88D80-E84 PolarHBondContact O-N 3.47Å; K81-E84 PolarHBondContact O-N 2.89Å; C82-E84 VanDerWaalsContact C-N 3.3Å; C82-E84 PolarHBondContact O-N 3.05Å; E84-R86 PolarHBondContact O-N 3.4Å; E84-R87 PolarHBondContact O-N 3.41Å; E84-K88 PolarHBondContact O-N 3.42Å; E84-K88 IonicContact OE1-NZ 3.91Å; E84-K88 PolarHBondContact OE1-NZ 3.26Å
85Q97.7Very high96.3Very high27 Ų2775.3 Ų75.313%0.12634%0.339CS..Hα-helixtrans-66.5-38.5179.8-64.9-55.1-4600112L59 M74 K81 C82 R87 K88 I89L59-Q85 HydrophobicContact CD1-CB 3.92Å; L59-Q85 HydrophobicContact CD1-CG 4.22Å; L59-Q85 VanDerWaalsContact CD2-OE1 3.31Å; M74-Q85 HydrophobicContact CE-CB 4.1Å; K81-Q85 WeakPolarHBondContact O-CG 3.29Å; K81-Q85 PolarHBondContact O-N 2.92Å; C82-Q85 PolarHBondContact O-N 3.25Å; Q85-R87 VanDerWaalsContact C-N 3.34Å; Q85-R87 PolarHBondContact O-N 2.85Å; Q85-K88 PolarHBondContact O-N 3.47Å; Q85-I89 WeakPolarHBondContact O-CG1 3.42Å; Q85-I89 PolarHBondContact O-N 2.96Å
86R98.4Very high96.4Very high85 Ų8583.4 Ų83.432%0.32137%0.374SS..Hα-helixtrans-56.6-46.3173.2-174.3-17091106.9-5111.5M74 C82 E84 K88 I89 V90 V98M74-R86 HydrophobicContact SD-CB 3.91Å; M74-R86 HydrophobicContact SD-CG 4.31Å; C82-R86 VanDerWaalsContact O-CB 3.23Å; C82-R86 WeakPolarHBondContact O-CB 3.43Å; C82-R86 PolarHBondContact O-N 2.67Å; E84-R86 PolarHBondContact O-N 3.4Å; R86-K88 VanDerWaalsContact C-N 3.33Å; R86-K88 PolarHBondContact O-N 3.48Å; R86-I89 PolarHBondContact O-N 3.33Å; R86-V90 HydrophobicContact CG-CG2 4.32Å; R86-V90 WeakPolarHBondContact O-CG2 3.33Å; R86-V90 PolarHBondContact O-N 3.24Å; R86-V98 WeakPolarHBondContact CD-O 3.49Å; R86-V98 HydrophobicContact CG-CB 4.27Å; R86-V98 HydrophobicContact CG-CG1 3.99Å; R86-V98 WeakPolarHBondContact CG-O 3.31Å; R86-V98 PolarHBondContact NH1-O 3.04Å
87R98.3Very high96.7Very high168 Ų16886.9 Ų86.963%0.63439%0.392SS*.Hα-helixtrans-58-46177.5-76.1171.6-179.4170.80.4111.2K83 E84 Q85 V90 L91K83-R87 VanDerWaalsContact O-CG 3.31Å; K83-R87 WeakPolarHBondContact O-CG 3.45Å; K83-R87 PolarHBondContact O-N 2.9Å; E84-R87 PolarHBondContact O-N 3.41Å; Q85-R87 VanDerWaalsContact C-N 3.34Å; Q85-R87 PolarHBondContact O-N 2.85Å; R87-V90 PolarHBondContact O-N 3.44Å; R87-L91 VanDerWaalsContact O-CG 3.3Å; R87-L91 WeakPolarHBondContact O-CG 3.38Å; R87-L91 PolarHBondContact O-N 3Å
88K98.1Very high97.2Very high89 Ų8981.2 Ų81.239%0.38737%0.37SS..Hα-helixtrans-59.3-50.3177.2-68.4172.1174.21710111.5E84 Q85 R86 V90 L91 E92E84-K88 PolarHBondContact O-N 3.42Å; E84-K88 IonicContact OE1-NZ 3.91Å; E84-K88 PolarHBondContact OE1-NZ 3.26Å; Q85-K88 PolarHBondContact O-N 3.47Å; R86-K88 VanDerWaalsContact C-N 3.33Å; R86-K88 PolarHBondContact O-N 3.48Å; K88-V90 PolarHBondContact O-N 3.43Å; K88-L91 PolarHBondContact O-N 3.28Å; K88-E92 WeakPolarHBondContact O-CB 3.27Å; K88-E92 VanDerWaalsContact O-CG 3.27Å; K88-E92 WeakPolarHBondContact O-CG 3.48Å; K88-E92 PolarHBondContact O-N 3.45Å
89I98.1Very high97.5Very high3 Ų378.3 Ų78.32%0.01536%0.356CS..Hα-helixtrans-59.7-45.9178.4-66.3159000111.4L59 T62 R63 A66 M74 Q85 R86 L91 E92 T93 V98L59-I89 HydrophobicContact CD1-CD1 3.77Å; L59-I89 HydrophobicContact CD1-CG1 4.44Å; T62-I89 HydrophobicContact CG2-CD1 3.53Å; R63-I89 HydrophobicContact CB-CG1 4.3Å; A66-I89 HydrophobicContact CB-CG2 3.6Å; M74-I89 HydrophobicContact CE-CD1 3.97Å; M74-I89 HydrophobicContact SD-CD1 4.15Å; Q85-I89 WeakPolarHBondContact O-CG1 3.42Å; Q85-I89 PolarHBondContact O-N 2.96Å; R86-I89 PolarHBondContact O-N 3.33Å; I89-L91 VanDerWaalsContact C-N 3.32Å; I89-L91 PolarHBondContact O-N 3.23Å; I89-E92 PolarHBondContact O-N 2.69Å; I89-T93 HydrophobicContact CG2-CG2 4.06Å; I89-T93 WeakPolarHBondContact O-CB 3.36Å; I89-T93 VanDerWaalsContact O-CG2 3.29Å; I89-T93 WeakPolarHBondContact O-CG2 3.43Å; I89-T93 PolarHBondContact O-N 2.82Å; I89-T93 PolarHBondContact O-OG1 3.26Å; I89-V98 HydrophobicContact CG2-CG1 4.45Å; I89-V98 HydrophobicContact CG2-CG2 4.03Å
90V98.2Very high97.6Very high34 Ų3476.9 Ų76.921%0.20635%0.35CS..Hα-helixtrans-62.9-39.9180173.30000111.1R86 R87 K88 R94 N95 K96 V98R86-V90 HydrophobicContact CG-CG2 4.32Å; R86-V90 WeakPolarHBondContact O-CG2 3.33Å; R86-V90 PolarHBondContact O-N 3.24Å; R87-V90 PolarHBondContact O-N 3.44Å; K88-V90 PolarHBondContact O-N 3.43Å; V90-R94 WeakPolarHBondContact O-CA 3.48Å; V90-R94 PolarHBondContact O-N 2.89Å; V90-N95 WeakPolarHBondContact CG2-O 3.31Å; V90-K96 HydrophobicContact CG1-CG 4.47Å; V90-V98 HydrophobicContact CG2-CB 4.15Å
91L98Very high97.6Very high143 Ų14374.1 Ų74.175%0.74933%0.331SS*.Hα-helixtrans-67.8-43.1177.2-71171.5000112.1R87 K88 I89R87-L91 VanDerWaalsContact O-CG 3.3Å; R87-L91 WeakPolarHBondContact O-CG 3.38Å; R87-L91 PolarHBondContact O-N 3Å; K88-L91 PolarHBondContact O-N 3.28Å; I89-L91 VanDerWaalsContact C-N 3.32Å; I89-L91 PolarHBondContact O-N 3.23Å
92E96.7Very high97.7Very high124 Ų12474.5 Ų74.558%0.57934%0.336SS*.Hα-helixtrans-68.5-43-179.4-72.6168.1-167.900112.2R63 K88 I89R63-E92 VanDerWaalsContact CD-OE2 3.3Å; R63-E92 WeakPolarHBondContact CD-OE2 3.44Å; K88-E92 WeakPolarHBondContact O-CB 3.27Å; K88-E92 VanDerWaalsContact O-CG 3.27Å; K88-E92 WeakPolarHBondContact O-CG 3.48Å; K88-E92 PolarHBondContact O-N 3.45Å; I89-E92 PolarHBondContact O-N 2.69Å
93T96.3Very high97.6Very high25 Ų2574.7 Ų74.715%0.15334%0.337CS..Hα-helixtrans-97.4-14.6-17266.20000113.8A66 E67 I89 N95A66-T93 HydrophobicContact CB-CG2 4.18Å; E67-T93 HydrophobicContact CB-CG2 4.31Å; E67-T93 HydrophobicContact CG-CG2 3.45Å; E67-T93 VanDerWaalsContact CG-CG2 3.45Å; I89-T93 HydrophobicContact CG2-CG2 4.06Å; I89-T93 WeakPolarHBondContact O-CB 3.36Å; I89-T93 VanDerWaalsContact O-CG2 3.29Å; I89-T93 WeakPolarHBondContact O-CG2 3.43Å; I89-T93 PolarHBondContact O-N 2.82Å; I89-T93 PolarHBondContact O-OG1 3.26Å; T93-N95 PolarHBondContact O-N 3.24Å; T93-N95 WeakPolarHBondContact OG1-CB 3.27Å; T93-N95 PolarHBondContact OG1-N 2.75Å
94R97.5Very high97.1Very high224 Ų22472 Ų7285%0.84533%0.327SS*.  trans58.76.5-169.1-54.3179.7179.1-177.6-1.1114.4V90 K96V90-R94 WeakPolarHBondContact O-CA 3.48Å; V90-R94 PolarHBondContact O-N 2.89Å; R94-K96 PolarHBondContact O-N 3.4Å
95N97.3Very high96.5Very high16 Ų1667.9 Ų67.99%0.08631%0.308CS..  trans-84.6112.5177.8-177.7-6.2000110.2A66 G69 A70 V90 T93 N97A66-N95 HydrophobicContact CB-CB 4.47Å; A66-N95 WeakPolarHBondContact O-CB 3.21Å; A66-N95 PolarHBondContact O-ND2 3.45Å; G69-N95 PolarHBondContact O-ND2 3.5Å; A70-N95 PolarHBondContact O-ND2 2.89Å; V90-N95 WeakPolarHBondContact CG2-O 3.31Å; T93-N95 PolarHBondContact O-N 3.24Å; T93-N95 WeakPolarHBondContact OG1-CB 3.27Å; T93-N95 PolarHBondContact OG1-N 2.75Å; N95-N97 VanDerWaalsContact C-N 3.32Å; N95-N97 WeakPolarHBondContact OD1-CA 3.39Å; N95-N97 VanDerWaalsContact OD1-CB 3.27Å; N95-N97 WeakPolarHBondContact OD1-CB 2.92Å; N95-N97 PolarHBondContact OD1-N 3.27Å
96K97.3Very high95.8Very high173 Ų17367 Ų6775%0.75231%0.305SS*.  trans-79.6-11.6179.4-62.6179.8-176.4175.60113.4V90 R94 V98V90-K96 HydrophobicContact CG1-CG 4.47Å; R94-K96 PolarHBondContact O-N 3.4Å; K96-V98 PolarHBondContact O-N 3.34Å
97N97.1Very high95.1Very high81 Ų8163.8 Ų63.843%0.43330%0.296SS..  trans-81.426.2-177-62-35.9000113.4R71 V72 N95R71-N97 CarbonylContact C-O 3.58Å; R71-N97 VanDerWaalsContact CA-O 3.3Å; R71-N97 WeakPolarHBondContact CA-O 3.47Å; R71-N97 HydrophobicContact CB-CB 4.1Å; R71-N97 HydrophobicContact CG-CB 4.3Å; V72-N97 PolarHBondContact N-O 3.26Å; N95-N97 VanDerWaalsContact C-N 3.32Å; N95-N97 WeakPolarHBondContact OD1-CA 3.39Å; N95-N97 VanDerWaalsContact OD1-CB 3.27Å; N95-N97 WeakPolarHBondContact OD1-CB 2.92Å; N95-N97 PolarHBondContact OD1-N 3.27Å
98V98.4Very high94.5Very high0 Ų056.7 Ų56.70%027%0.27CS..EExtended strand (participates in β ladder)trans-102.2116.8173.4-170.60000108.8T62 A66 V72 M74 R86 I89 V90 K96T62-V98 HydrophobicContact CG2-CG1 4.38Å; A66-V98 HydrophobicContact CB-CG2 3.6Å; V72-V98 HydrophobicContact CB-CG1 4.39Å; V72-V98 WeakPolarHBondContact O-CA 3.45Å; M74-V98 HydrophobicContact CG-CG1 3.96Å; M74-V98 HydrophobicContact SD-CG1 3.55Å; M74-V98 VanDerWaalsContact SD-CG1 3.55Å; R86-V98 WeakPolarHBondContact CD-O 3.49Å; R86-V98 HydrophobicContact CG-CB 4.27Å; R86-V98 HydrophobicContact CG-CG1 3.99Å; R86-V98 WeakPolarHBondContact CG-O 3.31Å; R86-V98 PolarHBondContact NH1-O 3.04Å; I89-V98 HydrophobicContact CG2-CG1 4.45Å; I89-V98 HydrophobicContact CG2-CG2 4.03Å; V90-V98 HydrophobicContact CG2-CB 4.15Å; K96-V98 PolarHBondContact O-N 3.34Å
99V98.1Very high94Very high22 Ų2258.4 Ų58.413%0.13328%0.28CS..EExtended strand (participates in β ladder)trans-124.2145-174.2-610000111.2V72 I73 M74V72-V99 PolarHBondContact O-N 2.84Å; I73-V99 HydrophobicContact CB-CG2 4.24Å; I73-V99 HydrophobicContact CG1-CG2 3.82Å; I73-V99 HydrophobicContact CG2-CG2 4.32Å; M74-V99 WeakPolarHBondContact CB-O 3.28Å; M74-V99 PolarHBondContact N-O 3Å
100C98.4Very high93.6Very high16 Ų1659 Ų5911%0.10828%0.284CS..EExtended strand (participates in β ladder)trans-97.7138.9173-76.50000110.4M79 C82M79-C100 HydrophobicContact CE-CB 3.58Å; M79-C100 HydrophobicContact SD-CB 4.45Å; C82-C100 HydrophobicContact CB-CB 3.94Å; C82-C100 WeakPolarHBondContact CB-SG 3.42Å; C82-C100 PolarHBondContact O-SG 2.81Å; C82-C100 WeakPolarHBondContact SG-CB 3.38Å; C82-C100 CovalentContact SG-SG 2.05Å; C82-C100 PolarHBondContact SG-SG 3.34Å
101R97.7Very high93.3Very high63 Ų6357.4 Ų57.424%0.23827%0.274CS..EExtended strand (participates in β ladder)trans-137.6134.4174.5-70.4-67.4-167.6-975.9108.9I73 M74 S76 C103 F114 D121I73-R101 HydrophobicContact CG2-CB 4.02Å; I73-R101 HydrophobicContact CG2-CG 3.69Å; M74-R101 PolarHBondContact O-N 3.1Å; S76-R101 PolarHBondContact N-O 2.82Å; R101-C103 PolarHBondContact O-N 3.3Å; R101-F114 HydrophobicContact CB-CD2 3.82Å; R101-F114 HydrophobicContact CB-CE2 3.46Å; R101-F114 VanDerWaalsContact CB-CE2 3.46Å; R101-F114 HydrophobicContact CG-CE2 4.39Å; R101-D121 IonicContact CZ-OD2 3.1Å; R101-D121 IonicContact NE-OD2 3.02Å; R101-D121 IonicContact NH2-OD2 3.93Å; R101-D121 PolarHBondContact NH2-OD2 2.83Å
102L97Very high93Very high81 Ų8153.1 Ų53.142%0.42425%0.251SS..EExtended strand (participates in β ladder)trans-67.9122.9-179.6177.567.3000109.4S76 R77 M79 F114S76-L102 WeakPolarHBondContact O-CA 3.49Å; R77-L102 WeakPolarHBondContact O-CD1 3.42Å; M79-L102 HydrophobicContact CG-CB 4.15Å; M79-L102 HydrophobicContact CG-CD1 3.91Å; M79-L102 HydrophobicContact SD-CB 3.98Å; M79-L102 HydrophobicContact SD-CD1 4.46Å; M79-L102 PolarHBondContact SD-N 3.02Å; L102-F114 WeakPolarHBondContact O-CD2 3.46Å
103C93.7Very high92.9Very high4 Ų450.6 Ų50.63%0.02724%0.241CC..  trans-148.6106174.9-1730000109.3A75 S76 R77 R101 F114A75-C103 HydrophobicContact CB-CB 3.82Å; S76-C103 CarbonylContact C-O 3.57Å; S76-C103 PolarHBondContact O-N 3.28Å; R77-C103 WeakPolarHBondContact CG-O 3.18Å; R101-C103 PolarHBondContact O-N 3.3Å; C103-F114 HydrophobicContact CB-CB 4.19Å; C103-F114 HydrophobicContact CB-CD2 3.53Å; C103-F114 HydrophobicContact CB-CE2 4Å; C103-F114 HydrophobicContact CB-CG 3.9Å
104D88.6Confident92.8Very high42 Ų4249.6 Ų49.623%0.22524%0.235CC..  trans-96.7103167.1-165.6-10.3000111.5R77 A106 S107 S110R77-D104 WeakPolarHBondContact CD-OD1 3.44Å; R77-D104 HydrophobicContact CG-CB 3.77Å; R77-D104 IonicContact NE-OD1 2.64Å; R77-D104 IonicContact NH1-OD1 2.69Å; R77-D104 PolarHBondContact NH1-OD1 3.21Å; D104-A106 PolarHBondContact O-N 2.87Å; D104-A106 VanDerWaalsContact O-N 3.1Å; D104-A106 WeakPolarHBondContact OD1-CA 3.34Å; D104-A106 WeakPolarHBondContact OD1-CB 3.38Å; D104-A106 PolarHBondContact OD1-N 3.48Å; D104-S107 PolarHBondContact O-N 3.14Å; D104-S110 PolarHBondContact N-OG 3.1Å
105L85.8Confident92.7Very high6 Ų638.9 Ų38.93%0.03119%0.194CC..THydrogen-bonded Turntrans-63.1-13.1174.8-61.8173.8000113.4T51 S107 V111 A132 P175 L178T51-L105 HydrophobicContact CG2-CD1 4.45Å; L105-S107 VanDerWaalsContact C-N 3.33Å; L105-V111 HydrophobicContact CD2-CG2 4.04Å; L105-A132 HydrophobicContact CD1-CB 3.32Å; L105-P175 HydrophobicContact CD1-CG 4.31Å; L105-L178 HydrophobicContact CD2-CD2 4.26Å
106A82.4Confident92.5Very high8 Ų841.7 Ų41.77%0.06621%0.206CC..THydrogen-bonded Turntrans-87.74.717100000113.5D104 T142 V152 F172D104-A106 PolarHBondContact O-N 2.87Å; D104-A106 VanDerWaalsContact O-N 3.1Å; D104-A106 WeakPolarHBondContact OD1-CA 3.34Å; D104-A106 WeakPolarHBondContact OD1-CB 3.38Å; D104-A106 PolarHBondContact OD1-N 3.48Å; A106-T142 HydrophobicContact CB-CG2 3.68Å; A106-T142 WeakPolarHBondContact O-CB 3.35Å; A106-V152 HydrophobicContact CB-CG2 3.91Å; A106-F172 WeakPolarHBondContact O-CE2 3.3Å; A106-F172 WeakPolarHBondContact O-CZ 3.3Å
107S84.5Confident92.4Very high17 Ų1740.1 Ų40.112%0.11920%0.195CC..  trans-133.3121.8176.8168.90000110.8D104 L105 E109 S110 V111 D144D104-S107 PolarHBondContact O-N 3.14Å; L105-S107 VanDerWaalsContact C-N 3.33Å; S107-E109 VanDerWaalsContact C-N 3.34Å; S107-E109 PolarHBondContact O-N 2.96Å; S107-S110 PolarHBondContact O-N 3.41Å; S107-S110 PolarHBondContact OG-N 2.86Å; S107-V111 WeakPolarHBondContact O-CG2 3.47Å; S107-V111 PolarHBondContact O-N 3.22Å; S107-V111 VanDerWaalsContact O-N 3.15Å; S107-D144 WeakPolarHBondContact CA-OD2 3.33Å
108L85.4Confident92.4Very high19 Ų1936.3 Ų36.310%0.09918%0.175CC..Hα-helixtrans-63.2-47.4-179-70.2-179.9000109.4S110 V111 E112 D144 F146 F172 L177 T342L108-S110 VanDerWaalsContact C-N 3.25Å; L108-S110 PolarHBondContact O-N 3.13Å; L108-V111 PolarHBondContact O-N 3.31Å; L108-E112 WeakPolarHBondContact O-CG 3.3Å; L108-E112 PolarHBondContact O-N 3.37Å; L108-D144 PolarHBondContact N-OD2 3.05Å; L108-F146 HydrophobicContact CD1-CZ 4.46Å; L108-F172 HydrophobicContact CB-CE1 3.94Å; L108-F172 HydrophobicContact CB-CZ 4.35Å; L108-F172 HydrophobicContact CD1-CE1 4.33Å; L108-F172 HydrophobicContact CD2-CD1 3.5Å; L108-F172 VanDerWaalsContact CD2-CD1 3.5Å; L108-F172 HydrophobicContact CD2-CE1 3.16Å; L108-F172 HydrophobicContact CD2-CZ 4.21Å; L108-F172 HydrophobicContact CG-CD1 3.94Å; L108-F172 HydrophobicContact CG-CE1 3.15Å; L108-F172 HydrophobicContact CG-CZ 3.72Å; L108-F172 VanDerWaalsContact N-CE1 3.29Å; L108-F172 VanDerWaalsContact N-CZ 3.33Å; L108-L177 HydrophobicContact CB-CD2 4.41Å; L108-L177 HydrophobicContact CD2-CD2 3.61Å; L108-T342 HydrophobicContact CD2-CG2 4.14Å
109E87.8Confident92.1Very high126 Ų12637.2 Ų37.259%0.58918%0.179SC*.Hα-helixtrans-56.6-40.3178.2-168.8-167.4164.300111.6S107 E112 N113S107-E109 VanDerWaalsContact C-N 3.34Å; S107-E109 PolarHBondContact O-N 2.96Å; E109-E112 PolarHBondContact O-N 2.87Å; E109-N113 VanDerWaalsContact O-CB 3.23Å; E109-N113 WeakPolarHBondContact O-CB 3.5Å; E109-N113 VanDerWaalsContact O-CG 3.3Å; E109-N113 PolarHBondContact O-N 2.93Å; E109-N113 PolarHBondContact O-ND2 3.49Å
110S90.2Very high91.9Very high15 Ų1540.9 Ų40.911%0.10520%0.195CC..Hα-helixtrans-65.1-40.2176.5-1710000112.5D104 S107 L108 F114D104-S110 PolarHBondContact N-OG 3.1Å; S107-S110 PolarHBondContact O-N 3.41Å; S107-S110 PolarHBondContact OG-N 2.86Å; L108-S110 VanDerWaalsContact C-N 3.25Å; L108-S110 PolarHBondContact O-N 3.13Å; S110-F114 VanDerWaalsContact O-CB 3.31Å; S110-F114 WeakPolarHBondContact O-CB 3.28Å; S110-F114 PolarHBondContact O-N 3.42Å
111V90.8Very high91.7Very high0 Ų043.9 Ų43.90%021%0.21CC..Hα-helixtrans-67.2-43.5176.3176.60000111.2L105 S107 L108 F114 A115 L177 L178L105-V111 HydrophobicContact CD2-CG2 4.04Å; S107-V111 WeakPolarHBondContact O-CG2 3.47Å; S107-V111 PolarHBondContact O-N 3.22Å; S107-V111 VanDerWaalsContact O-N 3.15Å; L108-V111 PolarHBondContact O-N 3.31Å; V111-F114 WeakPolarHBondContact O-CB 3.41Å; V111-F114 PolarHBondContact O-N 3.05Å; V111-A115 WeakPolarHBondContact O-CB 3.35Å; V111-A115 PolarHBondContact O-N 2.79Å; V111-L177 HydrophobicContact CB-CD2 4.1Å; V111-L177 HydrophobicContact CG1-CB 4.24Å; V111-L177 HydrophobicContact CG1-CD2 3.91Å; V111-L177 HydrophobicContact CG1-CG 3.88Å; V111-L178 HydrophobicContact CG1-CB 3.78Å; V111-L178 HydrophobicContact CG1-CD1 4.29Å
112E91.9Very high91.4Very high53 Ų5349.5 Ų49.525%0.24824%0.236CC..Hα-helixtrans-61.9-47.9176.2-70.5-178.9-156.500111.3L108 E109 F114 A115 K116 L177 L181 V347 F351L108-E112 WeakPolarHBondContact O-CG 3.3Å; L108-E112 PolarHBondContact O-N 3.37Å; E109-E112 PolarHBondContact O-N 2.87Å; E112-F114 VanDerWaalsContact C-N 3.31Å; E112-F114 PolarHBondContact O-N 2.96Å; E112-A115 PolarHBondContact O-N 3.43Å; E112-K116 WeakPolarHBondContact O-CB 3.47Å; E112-K116 PolarHBondContact O-N 3.46Å; E112-L177 HydrophobicContact CG-CD2 4.24Å; E112-L181 HydrophobicContact CG-CD1 4.06Å; E112-V347 HydrophobicContact CG-CG1 4.11Å; E112-F351 HydrophobicContact CB-CZ 4.44Å
113N93.6Very high91.3Very high71 Ų7146.6 Ų46.638%0.3822%0.22SC..Hα-helixtrans-63.1-37.2176.9-79.3-35.6000112.3E109 R117E109-N113 VanDerWaalsContact O-CB 3.23Å; E109-N113 WeakPolarHBondContact O-CB 3.5Å; E109-N113 VanDerWaalsContact O-CG 3.3Å; E109-N113 PolarHBondContact O-N 2.93Å; E109-N113 PolarHBondContact O-ND2 3.49Å; N113-R117 WeakPolarHBondContact O-CG 3.38Å; N113-R117 PolarHBondContact O-N 3.43Å; N113-R117 VanDerWaalsContact O-N 3.16Å
114F95.5Very high91.3Very high4 Ų453.1 Ų53.12%0.01825%0.248CC..Hα-helixtrans-61.4-55172.7176.8-86.8000110.6V49 I73 A75 R101 L102 C103 S110 V111 E112 K116 R117 I118 L178 L182V49-F114 HydrophobicContact CG1-CE1 4Å; V49-F114 HydrophobicContact CG1-CZ 3.77Å; I73-F114 HydrophobicContact CG2-CE2 4.23Å; I73-F114 HydrophobicContact CG2-CZ 4.04Å; A75-F114 HydrophobicContact CB-CE2 3.73Å; A75-F114 HydrophobicContact CB-CZ 3.86Å; R101-F114 HydrophobicContact CB-CD2 3.82Å; R101-F114 HydrophobicContact CB-CE2 3.46Å; R101-F114 VanDerWaalsContact CB-CE2 3.46Å; R101-F114 HydrophobicContact CG-CE2 4.39Å; L102-F114 WeakPolarHBondContact O-CD2 3.46Å; C103-F114 HydrophobicContact CB-CB 4.19Å; C103-F114 HydrophobicContact CB-CD2 3.53Å; C103-F114 HydrophobicContact CB-CE2 4Å; C103-F114 HydrophobicContact CB-CG 3.9Å; S110-F114 VanDerWaalsContact O-CB 3.31Å; S110-F114 WeakPolarHBondContact O-CB 3.28Å; S110-F114 PolarHBondContact O-N 3.42Å; V111-F114 WeakPolarHBondContact O-CB 3.41Å; V111-F114 PolarHBondContact O-N 3.05Å; E112-F114 VanDerWaalsContact C-N 3.31Å; E112-F114 PolarHBondContact O-N 2.96Å; F114-K116 VanDerWaalsContact C-N 3.35Å; F114-K116 PolarHBondContact O-N 3.43Å; F114-R117 PolarHBondContact O-N 2.92Å; F114-I118 HydrophobicContact CD1-CG1 4.06Å; F114-I118 HydrophobicContact CE1-CD1 4.17Å; F114-I118 HydrophobicContact CE1-CG1 3.69Å; F114-I118 HydrophobicContact CZ-CD1 4.05Å; F114-I118 HydrophobicContact CZ-CG1 4.08Å; F114-I118 WeakPolarHBondContact O-CG1 3.36Å; F114-I118 PolarHBondContact O-N 2.94Å; F114-I118 VanDerWaalsContact O-N 3.12Å; F114-L178 HydrophobicContact CD1-CD1 3.56Å; F114-L178 HydrophobicContact CE1-CD1 3.77Å; F114-L182 HydrophobicContact CE1-CD1 4.46Å
115A95.1Very high91.6Very high0 Ų051.1 Ų51.10%024%0.237CC..Hα-helixtrans-61.3-43.6-178.200000111.7V111 E112 R117 I118 I119 L181 L182 F351V111-A115 WeakPolarHBondContact O-CB 3.35Å; V111-A115 PolarHBondContact O-N 2.79Å; E112-A115 PolarHBondContact O-N 3.43Å; A115-R117 VanDerWaalsContact C-N 3.28Å; A115-R117 PolarHBondContact O-N 2.87Å; A115-I118 WeakPolarHBondContact O-CB 3.43Å; A115-I118 PolarHBondContact O-N 2.87Å; A115-I118 VanDerWaalsContact O-N 3.07Å; A115-I119 WeakPolarHBondContact O-CD1 3.5Å; A115-I119 VanDerWaalsContact O-CG1 3.23Å; A115-I119 WeakPolarHBondContact O-CG1 3.23Å; A115-I119 PolarHBondContact O-N 3.32Å; A115-L181 HydrophobicContact CB-CB 3.63Å; A115-L181 HydrophobicContact CB-CD1 3.77Å; A115-L181 HydrophobicContact CB-CG 4.37Å; A115-L182 HydrophobicContact CB-CD2 4.12Å; A115-F351 HydrophobicContact CB-CE2 4.23Å
116K93.7Very high92.1Very high75 Ų7552 Ų5233%0.32624%0.242SC..Hα-helixtrans-52.9-45.5174.8-173.3177.7178.2178.40111.9E112 F114 I119 Q120 F351 F355E112-K116 WeakPolarHBondContact O-CB 3.47Å; E112-K116 PolarHBondContact O-N 3.46Å; F114-K116 VanDerWaalsContact C-N 3.35Å; F114-K116 PolarHBondContact O-N 3.43Å; K116-I119 PolarHBondContact O-N 3.48Å; K116-Q120 HydrophobicContact CG-CG 4.5Å; K116-Q120 WeakPolarHBondContact O-CB 3.44Å; K116-Q120 VanDerWaalsContact O-CG 3.26Å; K116-Q120 WeakPolarHBondContact O-CG 3.22Å; K116-Q120 PolarHBondContact O-N 3.21Å; K116-F351 HydrophobicContact CB-CE1 4.4Å; K116-F351 HydrophobicContact CB-CE2 4.11Å; K116-F351 HydrophobicContact CB-CZ 3.78Å; K116-F351 HydrophobicContact CG-CZ 4.37Å; K116-F355 HydrophobicContact CD-CZ 4.45Å; K116-F355 HydrophobicContact CG-CE2 4.1Å; K116-F355 HydrophobicContact CG-CZ 3.75Å
117R95Very high92.7Very high140 Ų14052.1 Ų52.153%0.52824%0.242SC..Hα-helixtrans-65.5-40.9177.2-74178.5-178.9-175.91.4112.6N113 F114 A115 I119 Q120 D121N113-R117 WeakPolarHBondContact O-CG 3.38Å; N113-R117 PolarHBondContact O-N 3.43Å; N113-R117 VanDerWaalsContact O-N 3.16Å; F114-R117 PolarHBondContact O-N 2.92Å; A115-R117 VanDerWaalsContact C-N 3.28Å; A115-R117 PolarHBondContact O-N 2.87Å; R117-I119 VanDerWaalsContact C-N 3.28Å; R117-I119 PolarHBondContact O-N 3.15Å; R117-Q120 PolarHBondContact O-N 3.05Å; R117-D121 VanDerWaalsContact O-CB 3.24Å; R117-D121 WeakPolarHBondContact O-CB 3.44Å; R117-D121 VanDerWaalsContact O-CG 3.22Å; R117-D121 PolarHBondContact O-N 3Å
118I96Very high93.2Very high1 Ų151.3 Ų51.31%0.00524%0.236CC..Hα-helixtrans-60.3-41.6176-62.1-62.9000110.8I73 F114 A115 K122 E123 V125 L182I73-I118 HydrophobicContact CD1-CD1 3.57Å; I73-I118 HydrophobicContact CG2-CD1 4.06Å; F114-I118 HydrophobicContact CD1-CG1 4.06Å; F114-I118 HydrophobicContact CE1-CD1 4.17Å; F114-I118 HydrophobicContact CE1-CG1 3.69Å; F114-I118 HydrophobicContact CZ-CD1 4.05Å; F114-I118 HydrophobicContact CZ-CG1 4.08Å; F114-I118 WeakPolarHBondContact O-CG1 3.36Å; F114-I118 PolarHBondContact O-N 2.94Å; F114-I118 VanDerWaalsContact O-N 3.12Å; A115-I118 WeakPolarHBondContact O-CB 3.43Å; A115-I118 PolarHBondContact O-N 2.87Å; A115-I118 VanDerWaalsContact O-N 3.07Å; I118-K122 PolarHBondContact O-N 3.46Å; I118-E123 HydrophobicContact CD1-CG 4.37Å; I118-E123 HydrophobicContact CG2-CB 3.74Å; I118-E123 HydrophobicContact CG2-CG 4.29Å; I118-E123 PolarHBondContact O-N 3.28Å; I118-E123 VanDerWaalsContact O-N 3.07Å; I118-V125 HydrophobicContact CG2-CG2 3.64Å; I118-L182 HydrophobicContact CB-CD2 3.99Å; I118-L182 HydrophobicContact CG1-CD2 4.49Å; I118-L182 HydrophobicContact CG2-CD2 3.69Å
119I93.7Very high93.6Very high19 Ų1950.4 Ų50.410%0.09723%0.231CC..Hα-helixtrans-67.7-47.3178.2-61.7162.8000110.8A115 K116 R117 D121 K122 Q185 F351 F355A115-I119 WeakPolarHBondContact O-CD1 3.5Å; A115-I119 VanDerWaalsContact O-CG1 3.23Å; A115-I119 WeakPolarHBondContact O-CG1 3.23Å; A115-I119 PolarHBondContact O-N 3.32Å; K116-I119 PolarHBondContact O-N 3.48Å; R117-I119 VanDerWaalsContact C-N 3.28Å; R117-I119 PolarHBondContact O-N 3.15Å; I119-D121 PolarHBondContact O-N 3.06Å; I119-K122 WeakPolarHBondContact O-CA 3.42Å; I119-K122 PolarHBondContact O-N 3.4Å; I119-Q185 HydrophobicContact CG1-CG 4.39Å; I119-F351 HydrophobicContact CD1-CB 4.2Å; I119-F351 HydrophobicContact CD1-CD2 3.31Å; I119-F351 HydrophobicContact CD1-CE2 3.96Å; I119-F351 HydrophobicContact CD1-CG 4.11Å; I119-F355 HydrophobicContact CB-CD2 4.33Å; I119-F355 HydrophobicContact CG2-CB 3.94Å; I119-F355 HydrophobicContact CG2-CD2 3.46Å; I119-F355 VanDerWaalsContact CG2-CD2 3.46Å; I119-F355 HydrophobicContact CG2-CE2 4.11Å; I119-F355 HydrophobicContact CG2-CG 3.74Å
120Q93.4Very high93.8Very high99 Ų9944.4 Ų44.446%0.46320%0.203SC..Hα-helixtrans-61.2-41.7177.6-76.2176.3-31.900112.5K116 R117 K122 F355K116-Q120 HydrophobicContact CG-CG 4.5Å; K116-Q120 WeakPolarHBondContact O-CB 3.44Å; K116-Q120 VanDerWaalsContact O-CG 3.26Å; K116-Q120 WeakPolarHBondContact O-CG 3.22Å; K116-Q120 PolarHBondContact O-N 3.21Å; R117-Q120 PolarHBondContact O-N 3.05Å; Q120-K122 PolarHBondContact O-N 3.49Å; Q120-K122 VanDerWaalsContact O-N 3.15Å; Q120-F355 HydrophobicContact CG-CD1 4.17Å; Q120-F355 HydrophobicContact CG-CE1 3.36Å; Q120-F355 HydrophobicContact CG-CZ 3.64Å
121D93.7Very high93.6Very high79 Ų7944.9 Ų44.942%0.42221%0.205SC..THydrogen-bonded Turntrans-71.1-1.5176.1-70.6-5.5000111.8R101 R117 I119 E123R101-D121 IonicContact CZ-OD2 3.1Å; R101-D121 IonicContact NE-OD2 3.02Å; R101-D121 IonicContact NH2-OD2 3.93Å; R101-D121 PolarHBondContact NH2-OD2 2.83Å; R117-D121 VanDerWaalsContact O-CB 3.24Å; R117-D121 WeakPolarHBondContact O-CB 3.44Å; R117-D121 VanDerWaalsContact O-CG 3.22Å; R117-D121 PolarHBondContact O-N 3Å; I119-D121 PolarHBondContact O-N 3.06Å; D121-E123 HydrophobicContact CB-CG 3.77Å; D121-E123 PolarHBondContact O-N 3.02Å
122K92.4Very high93Very high180 Ų18045.5 Ų45.578%0.78321%0.21SC*.THydrogen-bonded Turntrans51.636.3-176.9-60.9-177.5179.3-179.10112.8I118 I119 Q120 K124I118-K122 PolarHBondContact O-N 3.46Å; I119-K122 WeakPolarHBondContact O-CA 3.42Å; I119-K122 PolarHBondContact O-N 3.4Å; Q120-K122 PolarHBondContact O-N 3.49Å; Q120-K122 VanDerWaalsContact O-N 3.15Å; K122-K124 PolarHBondContact O-N 3.06Å
123E93.5Very high91.6Very high20 Ų2045.2 Ų45.29%0.09322%0.221CC..  trans-66.8123.6-177.9-66.6-78.9-171.900110.3R71 I73 I118 D121 V125R71-E123 IonicContact CZ-OE1 2.71Å; R71-E123 VanDerWaalsContact CZ-OE1 3.32Å; R71-E123 IonicContact CZ-OE2 3.22Å; R71-E123 IonicContact NE-OE1 3.32Å; R71-E123 PolarHBondContact NE-OE1 3.14Å; R71-E123 VanDerWaalsContact NE-OE1 3.15Å; R71-E123 IonicContact NE-OE2 3.84Å; R71-E123 PolarHBondContact NE-OE2 3.24Å; R71-E123 IonicContact NH2-OE1 2.69Å; R71-E123 PolarHBondContact NH2-OE1 3.33Å; R71-E123 IonicContact NH2-OE2 2.84Å; I73-E123 HydrophobicContact CD1-CB 4.47Å; I73-E123 HydrophobicContact CD1-CG 4.07Å; I118-E123 HydrophobicContact CD1-CG 4.37Å; I118-E123 HydrophobicContact CG2-CB 3.74Å; I118-E123 HydrophobicContact CG2-CG 4.29Å; I118-E123 PolarHBondContact O-N 3.28Å; I118-E123 VanDerWaalsContact O-N 3.07Å; D121-E123 HydrophobicContact CB-CG 3.77Å; D121-E123 PolarHBondContact O-N 3.02Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 HydrophobicContact CB-CG2 4.31Å; E123-V125 PolarHBondContact O-N 3.37Å
124K93.7Very high89.9Confident141 Ų14143.3 Ų43.361%0.61321%0.211SC*.  trans-82.274.1176.5-69.1-174.2179.4-177.80110.9V47 K122 N126 S189V47-K124 VanDerWaalsContact CB-O 3.27Å; V47-K124 WeakPolarHBondContact CB-O 3.42Å; V47-K124 WeakPolarHBondContact CG2-O 3.5Å; K122-K124 PolarHBondContact O-N 3.06Å; K124-N126 PolarHBondContact O-N 3.27Å; K124-N126 VanDerWaalsContact O-N 3.11Å; K124-N126 PolarHBondContact O-OD1 3.2Å; K124-S189 WeakPolarHBondContact CA-OG 3.4Å; K124-S189 WeakPolarHBondContact CB-OG 3.3Å
125V96.1Very high87.9Confident0 Ų046 Ų460%022%0.224CC..EExtended strand (participates in β ladder)trans-65.6109.3-176.4-175.80000111V49 I118 E123 Q185 L186 S189V49-V125 HydrophobicContact CB-CG1 4.47Å; V49-V125 HydrophobicContact CG2-CG1 3.89Å; V49-V125 HydrophobicContact CG2-CG2 4.02Å; I118-V125 HydrophobicContact CG2-CG2 3.64Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 HydrophobicContact CB-CG2 4.31Å; E123-V125 PolarHBondContact O-N 3.37Å; V125-Q185 HydrophobicContact CB-CB 4.33Å; V125-Q185 HydrophobicContact CG2-CB 4.32Å; V125-L186 HydrophobicContact CB-CD2 4.49Å; V125-L186 HydrophobicContact CG1-CD2 3.91Å; V125-L186 HydrophobicContact CG1-CG 4.38Å; V125-L186 WeakPolarHBondContact O-CA 3.4Å; V125-L186 WeakPolarHBondContact O-CD2 3.29Å; V125-S189 PolarHBondContact N-OG 3.05Å; V125-S189 VanDerWaalsContact O-CB 3.26Å; V125-S189 WeakPolarHBondContact O-CB 3.45Å
126N95.2Very high85.8Confident25 Ų2551.7 Ų51.713%0.13425%0.25CS..EExtended strand (participates in β ladder)trans-91.4-36.8174.5-52.395.8000111.8N45 V46 V47 K124 S189 S192 R193N45-N126 PolarHBondContact O-OD1 3.48Å; V46-N126 WeakPolarHBondContact CA-OD1 3.4Å; V46-N126 HydrophobicContact CG1-CB 3.93Å; V47-N126 PolarHBondContact N-OD1 2.93Å; V47-N126 PolarHBondContact O-N 3.4Å; K124-N126 PolarHBondContact O-N 3.27Å; K124-N126 VanDerWaalsContact O-N 3.11Å; K124-N126 PolarHBondContact O-OD1 3.2Å; N126-S189 PolarHBondContact ND2-O 2.99Å; N126-S192 CarbonylContact O-C 3.51Å; N126-S192 WeakPolarHBondContact O-CA 3.49Å; N126-S192 WeakPolarHBondContact O-CB 3.4Å; N126-R193 PolarHBondContact O-N 3.2Å
127L95.6Very high83.8Confident10 Ų1050.3 Ų50.35%0.05225%0.248CC..EExtended strand (participates in β ladder)trans-122.5123.9-175.7-56.3179.7000110.8V46 V47 A48 V49 L65 R193 A294 V295V46-L127 HydrophobicContact CG1-CD1 3.74Å; V46-L127 HydrophobicContact CG1-CG 3.85Å; V47-L127 PolarHBondContact O-N 3.1Å; A48-L127 CarbonylContact C-O 3.51Å; A48-L127 VanDerWaalsContact CA-O 3.3Å; A48-L127 WeakPolarHBondContact CA-O 3.08Å; A48-L127 HydrophobicContact CB-CB 3.87Å; A48-L127 HydrophobicContact CB-CD1 4.31Å; V49-L127 PolarHBondContact N-O 3.34Å; L65-L127 HydrophobicContact CD2-CD1 3.96Å; L127-R193 WeakPolarHBondContact CA-O 3.4Å; L127-R193 HydrophobicContact CD2-CB 3.93Å; L127-R193 HydrophobicContact CD2-CG 4.48Å; L127-A294 WeakPolarHBondContact CD2-O 3.41Å; L127-V295 HydrophobicContact CD1-CG2 4.2Å
128L95.8Very high81.9Confident0 Ų048.4 Ų48.40%025%0.254CS..EExtended strand (participates in β ladder)trans-112.9106.6169.4177.560.6000109.9V49 L178 L182 L186 R193 I194 V195V49-L128 HydrophobicContact CB-CD1 3.87Å; V49-L128 HydrophobicContact CG1-CD1 3.76Å; L128-L178 HydrophobicContact CD1-CD2 4.19Å; L128-L178 HydrophobicContact CD1-CG 4.5Å; L128-L182 HydrophobicContact CD1-CD1 4.39Å; L128-L186 HydrophobicContact CB-CD1 4.42Å; L128-L186 HydrophobicContact CB-CD2 4.22Å; L128-L186 HydrophobicContact CD2-CD1 4.2Å; L128-R193 PolarHBondContact N-O 2.64Å; L128-I194 HydrophobicContact CB-CG1 4.19Å; L128-I194 HydrophobicContact CB-CG2 4.38Å; L128-I194 HydrophobicContact CD2-CD1 4.38Å; L128-I194 HydrophobicContact CD2-CG1 4.45Å; L128-I194 HydrophobicContact CD2-CG2 4.24Å; L128-I194 HydrophobicContact CG-CG2 4.33Å; L128-I194 CarbonylContact O-C 3.46Å; L128-I194 VanDerWaalsContact O-CA 3.32Å; L128-I194 WeakPolarHBondContact O-CA 3.49Å; L128-V195 PolarHBondContact O-N 3.47Å
129I93.4Very high80.2Confident1 Ų153.2 Ų53.21%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-100.294.4178.7-47.1-58.4000109.1V49 V50 T51 T61 N131 V195 V290 A294V49-I129 PolarHBondContact O-N 2.85Å; V50-I129 HydrophobicContact CB-CB 4.44Å; V50-I129 HydrophobicContact CG1-CB 4.26Å; V50-I129 HydrophobicContact CG1-CG2 4.41Å; V50-I129 HydrophobicContact CG2-CB 4.13Å; V50-I129 HydrophobicContact CG2-CG1 4.11Å; T51-I129 PolarHBondContact N-O 3.15Å; T51-I129 PolarHBondContact OG1-O 2.63Å; T61-I129 HydrophobicContact CG2-CG2 4.43Å; I129-N131 VanDerWaalsContact C-N 3.26Å; I129-N131 HydrophobicContact CG2-CB 4.02Å; I129-N131 PolarHBondContact O-N 2.87Å; I129-V195 HydrophobicContact CD1-CB 3.8Å; I129-V195 HydrophobicContact CD1-CG2 3.89Å; I129-V290 HydrophobicContact CD1-CG1 4.44Å; I129-V290 HydrophobicContact CG2-CG1 4.1Å; I129-A294 HydrophobicContact CD1-CB 3.87Å
130N91.8Very high79Confident0 Ų060.3 Ų60.30%032%0.315CS..EExtended strand (participates in β ladder)trans-78.376.2173.7-75.1-37.6000110.1T51 P175 T179 V195 N196 M197T51-N130 WeakPolarHBondContact OG1-CA 3.38Å; N130-P175 HydrophobicContact CB-CB 4.38Å; N130-T179 PolarHBondContact ND2-OG1 2.8Å; N130-V195 PolarHBondContact N-O 3.11Å; N130-N196 WeakPolarHBondContact CB-OD1 3.46Å; N130-N196 PolarHBondContact ND2-OD1 3.37Å; N130-M197 PolarHBondContact O-N 3.02Å
131N86.3Confident77.9Confident25 Ų2557.8 Ų57.813%0.13431%0.308CS..  trans-97.2-21.8-177.8160.189.5000114.3T51 G52 G58 I129 G133 M197T51-N131 WeakPolarHBondContact O-CB 3.41Å; T51-N131 PolarHBondContact O-ND2 2.98Å; T51-N131 PolarHBondContact OG1-N 3Å; G52-N131 PolarHBondContact O-ND2 2.83Å; G58-N131 WeakPolarHBondContact CA-ND2 3.35Å; G58-N131 PolarHBondContact N-ND2 3.02Å; G58-N131 PolarHBondContact N-OD1 2.82Å; I129-N131 VanDerWaalsContact C-N 3.26Å; I129-N131 HydrophobicContact CG2-CB 4.02Å; I129-N131 PolarHBondContact O-N 2.87Å; N131-G133 PolarHBondContact O-N 2.87Å; N131-M197 VanDerWaalsContact CA-CG 3.43Å; N131-M197 HydrophobicContact CB-CG 3.61Å
132A77.5Confident76.5Confident12 Ų1254.9 Ų54.910%0.09929%0.293CS..  trans-55.5137-179.200000112.1T51 L105 R232T51-A132 PolarHBondContact O-N 3.15Å; T51-A132 WeakPolarHBondContact OG1-CB 3.32Å; T51-A132 PolarHBondContact OG1-N 3.01Å; L105-A132 HydrophobicContact CD1-CB 3.32Å; A132-R232 PolarHBondContact O-NH2 3.34Å
133G63.6Low75.7Confident48 Ų4852 Ų5250%0.49529%0.29SS..  trans-166.7155.517200000112.3N131 N153N131-G133 PolarHBondContact O-N 2.87Å; G133-N153 WeakPolarHBondContact CA-OD1 3.22Å
134I57Low74.6Confident30 Ų3054.2 Ų54.215%0.15430%0.303CS..  trans-126.6151.5175.166179.6000109.9V137 P148 V152 N153 Y225I134-V137 HydrophobicContact CB-CG1 4.02Å; I134-V137 HydrophobicContact CD1-CB 4.34Å; I134-V137 HydrophobicContact CD1-CG1 4Å; I134-V137 HydrophobicContact CD1-CG2 3.46Å; I134-V137 VanDerWaalsContact CD1-CG2 3.46Å; I134-V137 HydrophobicContact CG1-CG1 4.36Å; I134-V137 HydrophobicContact CG1-CG2 4.08Å; I134-P148 HydrophobicContact CD1-CB 4.03Å; I134-P148 WeakPolarHBondContact CD1-O 3.22Å; I134-V152 HydrophobicContact CD1-CB 3.79Å; I134-V152 HydrophobicContact CD1-CG1 4.42Å; I134-V152 HydrophobicContact CD1-CG2 3.84Å; I134-V152 HydrophobicContact CG1-CB 3.92Å; I134-V152 HydrophobicContact CG1-CG1 4.24Å; I134-V152 HydrophobicContact CG1-CG2 4.5Å; I134-V152 HydrophobicContact CG2-CB 4.35Å; I134-V152 HydrophobicContact CG2-CG1 3.84Å; I134-N153 PolarHBondContact N-OD1 3.26Å; I134-N153 PolarHBondContact O-ND2 3.43Å; I134-N153 PolarHBondContact O-OD1 3.48Å; I134-Y225 WeakPolarHBondContact O-CE2 3.31Å
135M52.8Low73.1Confident61 Ų6148.6 Ų48.630%0.328%0.284SS..  trans-144.7137.9180-175.8-165.8-95.800108.1V137 Y225 T257M135-V137 VanDerWaalsContact C-N 3.33Å; M135-V137 PolarHBondContact O-N 3.48Å; M135-Y225 HydrophobicContact CB-CD2 4.38Å; M135-Y225 HydrophobicContact CB-CE2 4Å; M135-Y225 HydrophobicContact CE-CD1 4.1Å; M135-Y225 HydrophobicContact CE-CE1 3.33Å; M135-Y225 HydrophobicContact CE-CE2 4.11Å; M135-Y225 WeakPolarHBondContact CE-OH 3.29Å; M135-Y225 HydrophobicContact CG-CD2 4.25Å; M135-Y225 HydrophobicContact CG-CE2 4.1Å; M135-T257 HydrophobicContact CE-CG2 3.83Å
136H50.7Low71.7Confident119 Ų11948.6 Ų48.655%0.55128%0.284SS*.SBendtrans55.741.3-180-51-55.4000114.2H149H136-H149 WeakPolarHBondContact CA-NE2 3.43Å; H136-H149 PolarHBondContact N-NE2 3.03Å
137V53.3Low70.8Confident46 Ų4648.3 Ų48.328%0.27928%0.282SS..  trans-83.1148.3169.5-67.80000110.2I134 M135 P148 H149I134-V137 HydrophobicContact CB-CG1 4.02Å; I134-V137 HydrophobicContact CD1-CB 4.34Å; I134-V137 HydrophobicContact CD1-CG1 4Å; I134-V137 HydrophobicContact CD1-CG2 3.46Å; I134-V137 VanDerWaalsContact CD1-CG2 3.46Å; I134-V137 HydrophobicContact CG1-CG1 4.36Å; I134-V137 HydrophobicContact CG1-CG2 4.08Å; M135-V137 VanDerWaalsContact C-N 3.33Å; M135-V137 PolarHBondContact O-N 3.48Å; V137-P148 HydrophobicContact CG2-CB 3.75Å; V137-P148 HydrophobicContact CG2-CG 3.65Å; V137-H149 PolarHBondContact N-NE2 2.92Å; V137-H149 VanDerWaalsContact N-NE2 3.18Å; V137-H149 PolarHBondContact O-CE1 2.67Å
138P54.7Low68.9Low101 Ų10148.4 Ų48.466%0.65628%0.284SS*.  trans-54.6147.7172.7-23.833.5000110.8K140 P148P138-K140 PolarHBondContact O-N 2.82Å; P138-P148 WeakPolarHBondContact O-CG 3.17Å
139P60.7Low67.2Low102 Ų10248.5 Ų48.566%0.66228%0.284SS*.SBendtrans-74.758.3-17933.1-36.9000111.3
140K68.9Low65.7Low167 Ų16748.4 Ų48.473%0.72628%0.284SS*.PPolyproline II helixtrans-93.1123.1169.6-174.3177.7179.4178.60107.9P138 P148P138-K140 PolarHBondContact O-N 2.82Å; K140-P148 WeakPolarHBondContact O-CD 3.46Å; K140-P148 WeakPolarHBondContact O-CG 3.39Å
141P69.3Low63.9Low47 Ų4748.4 Ų48.431%0.30528%0.284SS..PPolyproline II helixtrans-57.9148.5177.1-24.934000112.4F146 R159P141-F146 CarbonylContact C-O 3.58Å; P141-F146 WeakPolarHBondContact CA-O 3.32Å; P141-R159 HydrophobicContact CG-CB 4.2Å
142T64.4Low62.5Low17 Ų1747.5 Ų47.510%0.10428%0.279CS..PPolyproline II helixtrans-63.6171.7167.864.80000111A106 D144 G145 F146 F172A106-T142 HydrophobicContact CB-CG2 3.68Å; A106-T142 WeakPolarHBondContact O-CB 3.35Å; T142-D144 PolarHBondContact O-N 2.88Å; T142-G145 PolarHBondContact O-N 2.91Å; T142-F146 HydrophobicContact CG2-CB 4.39Å; T142-F146 PolarHBondContact N-O 3.42Å; T142-F146 WeakPolarHBondContact OG1-CB 3.33Å; T142-F146 WeakPolarHBondContact OG1-CD2 3.18Å; T142-F146 PolarHBondContact OG1-N 3.05Å; T142-F172 HydrophobicContact CG2-CD2 4.11Å; T142-F172 HydrophobicContact CG2-CE2 4.48Å; T142-F172 WeakPolarHBondContact OG1-CD2 3.36Å; T142-F172 WeakPolarHBondContact OG1-CE2 3.07Å
143V76.2Confident61.4Low120 Ų12047 Ų4773%0.72727%0.274SS*.THydrogen-bonded Turntrans-59.8-32.6-173.9-60.90000113.2
144D69.6Low61.1Low67 Ų6745 Ų4536%0.35825%0.252SS..THydrogen-bonded Turntrans-92.75.8179-55.4-91.9000112.2S107 L108 T142 F146 F172S107-D144 WeakPolarHBondContact CA-OD2 3.33Å; L108-D144 PolarHBondContact N-OD2 3.05Å; T142-D144 PolarHBondContact O-N 2.88Å; D144-F146 HydrophobicContact CB-CD2 3.87Å; D144-F146 HydrophobicContact CB-CE2 3.13Å; D144-F146 HydrophobicContact CB-CZ 3.99Å; D144-F146 WeakPolarHBondContact O-CD2 3.3Å; D144-F146 WeakPolarHBondContact O-CE2 3.42Å; D144-F172 HydrophobicContact CB-CE2 3.6Å; D144-F172 HydrophobicContact CB-CZ 3.55Å; D144-F172 WeakPolarHBondContact OD2-CZ 3.23Å
145G63.3Low60.2Low22 Ų2243.6 Ų43.623%0.22725%0.245CC..SBendtrans102.727.9167.700000119.8T142 K158 R159T142-G145 PolarHBondContact O-N 2.91Å; G145-K158 WeakPolarHBondContact O-CA 3.47Å; G145-K158 PolarHBondContact O-N 2.05Å; G145-R159 PolarHBondContact O-N 3.47Å
146F66.3Low59.1Low1 Ų140.7 Ų40.70%0.00423%0.231CC..  trans-116154.1-166.1-52.4-102.9000112.7L108 P141 T142 D144 G156 Y170 M171 F172L108-F146 HydrophobicContact CD1-CZ 4.46Å; P141-F146 CarbonylContact C-O 3.58Å; P141-F146 WeakPolarHBondContact CA-O 3.32Å; T142-F146 HydrophobicContact CG2-CB 4.39Å; T142-F146 PolarHBondContact N-O 3.42Å; T142-F146 WeakPolarHBondContact OG1-CB 3.33Å; T142-F146 WeakPolarHBondContact OG1-CD2 3.18Å; T142-F146 PolarHBondContact OG1-N 3.05Å; D144-F146 HydrophobicContact CB-CD2 3.87Å; D144-F146 HydrophobicContact CB-CE2 3.13Å; D144-F146 HydrophobicContact CB-CZ 3.99Å; D144-F146 WeakPolarHBondContact O-CD2 3.3Å; D144-F146 WeakPolarHBondContact O-CE2 3.42Å; F146-G156 WeakPolarHBondContact CB-O 3.09Å; F146-G156 WeakPolarHBondContact CD1-O 3.4Å; F146-G156 WeakPolarHBondContact CG-O 3.49Å; F146-Y170 WeakPolarHBondContact CD1-O 3.47Å; F146-Y170 VanDerWaalsContact CE1-CB 3.47Å; F146-Y170 WeakPolarHBondContact CE1-O 3.27Å; F146-Y170 VanDerWaalsContact CZ-CB 3.43Å; F146-Y170 HydrophobicContact CZ-CG 4.5Å; F146-M171 WeakPolarHBondContact CE1-O 3.18Å; F146-F172 HydrophobicContact CB-CB 3.89Å; F146-F172 HydrophobicContact CB-CD2 3.48Å; F146-F172 VanDerWaalsContact CB-CD2 3.48Å; F146-F172 HydrophobicContact CB-CE2 4.36Å; F146-F172 HydrophobicContact CB-CG 4.08Å; F146-F172 HydrophobicContact CD1-CB 3.55Å; F146-F172 AromaticContact CD1-CD2 3.6Å; F146-F172 HydrophobicContact CD1-CD2 3.6Å; F146-F172 HydrophobicContact CD1-CE2 4.33Å; F146-F172 AromaticContact CD1-CG 3.58Å; F146-F172 HydrophobicContact CD1-CG 3.58Å; F146-F172 HydrophobicContact CD2-CB 4.24Å; F146-F172 AromaticContact CD2-CD2 2.78Å; F146-F172 HydrophobicContact CD2-CD2 2.78Å; F146-F172 AromaticContact CD2-CE2 2.89Å; F146-F172 HydrophobicContact CD2-CE2 2.89Å; F146-F172 AromaticContact CD2-CG 3.59Å; F146-F172 HydrophobicContact CD2-CG 3.59Å; F146-F172 AromaticContact CD2-CZ 3.87Å; F146-F172 HydrophobicContact CD2-CZ 3.87Å; F146-F172 HydrophobicContact CE1-CB 3.75Å; F146-F172 HydrophobicContact CE1-CD1 4Å; F146-F172 AromaticContact CE1-CD2 3.73Å; F146-F172 HydrophobicContact CE1-CD2 3.73Å; F146-F172 HydrophobicContact CE1-CE2 4.18Å; F146-F172 AromaticContact CE1-CG 3.46Å; F146-F172 HydrophobicContact CE1-CG 3.46Å; F146-F172 VanDerWaalsContact CE1-CG 3.46Å; F146-F172 HydrophobicContact CE2-CD1 4.17Å; F146-F172 AromaticContact CE2-CD2 3.14Å; F146-F172 HydrophobicContact CE2-CD2 3.14Å; F146-F172 HydrophobicContact CE2-CE1 4.1Å; F146-F172 AromaticContact CE2-CE2 2.9Å; F146-F172 HydrophobicContact CE2-CE2 2.9Å; F146-F172 AromaticContact CE2-CG 3.66Å; F146-F172 HydrophobicContact CE2-CG 3.66Å; F146-F172 AromaticContact CE2-CZ 3.4Å; F146-F172 HydrophobicContact CE2-CZ 3.4Å; F146-F172 HydrophobicContact CG-CB 3.59Å; F146-F172 AromaticContact CG-CD2 2.95Å; F146-F172 HydrophobicContact CG-CD2 2.95Å; F146-F172 AromaticContact CG-CE2 3.63Å; F146-F172 HydrophobicContact CG-CE2 3.63Å; F146-F172 AromaticContact CG-CG 3.44Å; F146-F172 HydrophobicContact CG-CG 3.44Å; F146-F172 VanDerWaalsContact CG-CG 3.44Å; F146-F172 HydrophobicContact CZ-CB 4.18Å; F146-F172 AromaticContact CZ-CD1 3.66Å; F146-F172 HydrophobicContact CZ-CD1 3.66Å; F146-F172 AromaticContact CZ-CD2 3.42Å; F146-F172 HydrophobicContact CZ-CD2 3.42Å; F146-F172 VanDerWaalsContact CZ-CD2 3.42Å; F146-F172 AromaticContact CZ-CE1 3.8Å; F146-F172 HydrophobicContact CZ-CE1 3.8Å; F146-F172 AromaticContact CZ-CE2 3.42Å; F146-F172 HydrophobicContact CZ-CE2 3.42Å; F146-F172 VanDerWaalsContact CZ-CE2 3.42Å; F146-F172 AromaticContact CZ-CG 3.39Å; F146-F172 HydrophobicContact CZ-CG 3.39Å; F146-F172 AromaticContact CZ-CZ 3.56Å; F146-F172 HydrophobicContact CZ-CZ 3.56Å
147E74.7Confident58.3Low18 Ų1835.4 Ų35.48%0.08421%0.207CC..  trans-62135173.2-165.2-68.1142.400109.3H149 L150 G151 N213 V224E147-H149 IonicContact OE1-CE1 3.11Å; E147-H149 IonicContact OE1-CG 3.92Å; E147-H149 IonicContact OE1-ND1 2.87Å; E147-H149 PolarHBondContact OE1-ND1 2.79Å; E147-H149 WeakPolarHBondContact OE2-CA 3.19Å; E147-H149 VanDerWaalsContact OE2-CB 3.24Å; E147-H149 WeakPolarHBondContact OE2-CB 3.46Å; E147-H149 IonicContact OE2-CG 3.82Å; E147-H149 PolarHBondContact OE2-N 3.4Å; E147-H149 IonicContact OE2-ND1 3.79Å; E147-L150 HydrophobicContact CB-CB 4Å; E147-L150 HydrophobicContact CB-CD1 4.05Å; E147-L150 HydrophobicContact CB-CG 4.29Å; E147-L150 WeakPolarHBondContact O-CB 3.5Å; E147-L150 WeakPolarHBondContact OE2-CB 3.31Å; E147-L150 PolarHBondContact OE2-N 3.11Å; E147-G151 PolarHBondContact O-N 3.5Å; E147-N213 VanDerWaalsContact CB-OD1 3.24Å; E147-N213 WeakPolarHBondContact CB-OD1 3.39Å; E147-N213 PolarHBondContact N-OD1 2.92Å; E147-N213 VanDerWaalsContact N-OD1 3.11Å; E147-V224 HydrophobicContact CG-CG1 4.06Å; E147-V224 WeakPolarHBondContact OE2-CG1 2.98Å
148P56.2Low57.3Low13 Ų1336.9 Ų36.98%0.08421%0.21CC..Hα-helixtrans-69.5-38.1-165.625.7-38.7000115.5I134 V137 P138 K140 L150 G151 V152I134-P148 HydrophobicContact CD1-CB 4.03Å; I134-P148 WeakPolarHBondContact CD1-O 3.22Å; V137-P148 HydrophobicContact CG2-CB 3.75Å; V137-P148 HydrophobicContact CG2-CG 3.65Å; P138-P148 WeakPolarHBondContact O-CG 3.17Å; K140-P148 WeakPolarHBondContact O-CD 3.46Å; K140-P148 WeakPolarHBondContact O-CG 3.39Å; P148-L150 VanDerWaalsContact C-N 3.35Å; P148-G151 PolarHBondContact O-N 2.99Å; P148-V152 PolarHBondContact O-N 2.89Å
149H61Low56Low1 Ų140.6 Ų40.61%0.00521%0.211CC..Hα-helixtrans-64.1-48.5176.9-59.386.6000110H136 V137 E147 G151 N153 V224H136-H149 WeakPolarHBondContact CA-NE2 3.43Å; H136-H149 PolarHBondContact N-NE2 3.03Å; V137-H149 PolarHBondContact N-NE2 2.92Å; V137-H149 VanDerWaalsContact N-NE2 3.18Å; V137-H149 PolarHBondContact O-CE1 2.67Å; E147-H149 IonicContact OE1-CE1 3.11Å; E147-H149 IonicContact OE1-CG 3.92Å; E147-H149 IonicContact OE1-ND1 2.87Å; E147-H149 PolarHBondContact OE1-ND1 2.79Å; E147-H149 WeakPolarHBondContact OE2-CA 3.19Å; E147-H149 VanDerWaalsContact OE2-CB 3.24Å; E147-H149 WeakPolarHBondContact OE2-CB 3.46Å; E147-H149 IonicContact OE2-CG 3.82Å; E147-H149 PolarHBondContact OE2-N 3.4Å; E147-H149 IonicContact OE2-ND1 3.79Å; H149-G151 VanDerWaalsContact C-N 3.34Å; H149-G151 PolarHBondContact O-N 3.01Å; H149-N153 VanDerWaalsContact O-CA 3.32Å; H149-N153 WeakPolarHBondContact O-CA 3.25Å; H149-N153 WeakPolarHBondContact O-CB 3.4Å; H149-N153 PolarHBondContact O-N 3.04Å; H149-N153 PolarHBondContact O-ND2 3.1Å; H149-V224 HydrophobicContact CB-CG1 4.43Å
150L61.2Low54.4Low0 Ų042.7 Ų42.70%021%0.213CC..Iπ-helixtrans-52.3-52.3171.9-82.7-164.4000110.7E147 P148 V152 F154 L155 L212 N213 V224E147-L150 HydrophobicContact CB-CB 4Å; E147-L150 HydrophobicContact CB-CD1 4.05Å; E147-L150 HydrophobicContact CB-CG 4.29Å; E147-L150 WeakPolarHBondContact O-CB 3.5Å; E147-L150 WeakPolarHBondContact OE2-CB 3.31Å; E147-L150 PolarHBondContact OE2-N 3.11Å; P148-L150 VanDerWaalsContact C-N 3.35Å; L150-V152 PolarHBondContact O-N 3.15Å; L150-F154 CarbonylContact O-C 3.49Å; L150-F154 VanDerWaalsContact O-C 3.28Å; L150-F154 WeakPolarHBondContact O-CA 3.25Å; L150-F154 PolarHBondContact O-N 3.05Å; L150-L155 WeakPolarHBondContact CA-O 3.34Å; L150-L155 WeakPolarHBondContact CB-O 3.01Å; L150-L155 WeakPolarHBondContact CD1-O 3.46Å; L150-L155 WeakPolarHBondContact CD2-O 3.34Å; L150-L155 WeakPolarHBondContact CG-O 3.01Å; L150-L155 CarbonylContact O-C 3.28Å; L150-L155 PolarHBondContact O-N 2.78Å; L150-L212 WeakPolarHBondContact CD1-O 3.4Å; L150-N213 WeakPolarHBondContact CD1-O 3.08Å; L150-V224 HydrophobicContact CD1-CG1 3.85Å; L150-V224 HydrophobicContact CD2-CG1 3.86Å; L150-V224 HydrophobicContact CG-CG1 3.49Å; L150-V224 VanDerWaalsContact CG-CG1 3.49Å
151G54.3Low52.6Low0 Ų042 Ų420%022%0.217CC..Iπ-helixtrans-69.7-36.5-175.400000116.3E147 P148 H149E147-G151 PolarHBondContact O-N 3.5Å; P148-G151 PolarHBondContact O-N 2.99Å; H149-G151 VanDerWaalsContact C-N 3.34Å; H149-G151 PolarHBondContact O-N 3.01Å
152V56.2Low50.7Low6 Ų646.8 Ų46.84%0.03624%0.239CC..Iπ-helixtrans-90.4-29.4-179.5177.70000112.5A106 I134 P148 L150A106-V152 HydrophobicContact CB-CG2 3.91Å; I134-V152 HydrophobicContact CD1-CB 3.79Å; I134-V152 HydrophobicContact CD1-CG1 4.42Å; I134-V152 HydrophobicContact CD1-CG2 3.84Å; I134-V152 HydrophobicContact CG1-CB 3.92Å; I134-V152 HydrophobicContact CG1-CG1 4.24Å; I134-V152 HydrophobicContact CG1-CG2 4.5Å; I134-V152 HydrophobicContact CG2-CB 4.35Å; I134-V152 HydrophobicContact CG2-CG1 3.84Å; P148-V152 PolarHBondContact O-N 2.89Å; L150-V152 PolarHBondContact O-N 3.15Å
153N56.1Low49.3Very low1 Ų154.2 Ų54.21%0.00527%0.273CS..Iπ-helixtrans-88.5-53.8177.8-55.8-28.3000111.1G133 I134 H149 Y225 S228 R232G133-N153 WeakPolarHBondContact CA-OD1 3.22Å; I134-N153 PolarHBondContact N-OD1 3.26Å; I134-N153 PolarHBondContact O-ND2 3.43Å; I134-N153 PolarHBondContact O-OD1 3.48Å; H149-N153 VanDerWaalsContact O-CA 3.32Å; H149-N153 WeakPolarHBondContact O-CA 3.25Å; H149-N153 WeakPolarHBondContact O-CB 3.4Å; H149-N153 PolarHBondContact O-N 3.04Å; H149-N153 PolarHBondContact O-ND2 3.1Å; N153-Y225 WeakPolarHBondContact ND2-CD2 3.49Å; N153-Y225 VanDerWaalsContact ND2-CE2 3.34Å; N153-Y225 WeakPolarHBondContact ND2-CE2 3.35Å; N153-S228 WeakPolarHBondContact CB-OG 2.8Å; N153-S228 PolarHBondContact ND2-OG 3.34Å; N153-R232 PolarHBondContact O-NE 3.43Å; N153-R232 PolarHBondContact O-NH2 3.15Å
154F56.2Low47.6Very low6 Ų659.7 Ų59.73%0.02628%0.28CS..Iπ-helixtrans-165.2-28.8-177.1-150.5-106.8000121.3L150 F172 H176 S228 A231 R232 C235L150-F154 CarbonylContact O-C 3.49Å; L150-F154 VanDerWaalsContact O-C 3.28Å; L150-F154 WeakPolarHBondContact O-CA 3.25Å; L150-F154 PolarHBondContact O-N 3.05Å; F154-F172 CarbonylContact C-O 3.43Å; F154-H176 HydrophobicContact CE2-CB 4.31Å; F154-H176 HydrophobicContact CZ-CB 4.32Å; F154-S228 WeakPolarHBondContact CB-O 3.11Å; F154-A231 HydrophobicContact CD1-CB 3.46Å; F154-A231 VanDerWaalsContact CD1-CB 3.46Å; F154-A231 WeakPolarHBondContact CD1-O 3.5Å; F154-A231 HydrophobicContact CE1-CB 4.07Å; F154-A231 WeakPolarHBondContact CE1-O 3.44Å; F154-A231 HydrophobicContact CG-CB 4.48Å; F154-R232 HydrophobicContact CB-CB 3.97Å; F154-R232 HydrophobicContact CD1-CB 3.87Å; F154-R232 HydrophobicContact CD2-CB 3.47Å; F154-R232 VanDerWaalsContact CD2-CB 3.47Å; F154-R232 HydrophobicContact CD2-CG 3.46Å; F154-R232 VanDerWaalsContact CD2-CG 3.46Å; F154-R232 HydrophobicContact CE1-CB 4.36Å; F154-R232 VanDerWaalsContact CE1-N 3.33Å; F154-R232 HydrophobicContact CE2-CB 3.98Å; F154-R232 HydrophobicContact CE2-CG 3.78Å; F154-R232 HydrophobicContact CG-CB 3.43Å; F154-R232 VanDerWaalsContact CG-CB 3.43Å; F154-R232 HydrophobicContact CG-CG 3.99Å; F154-R232 HydrophobicContact CZ-CB 4.42Å; F154-C235 HydrophobicContact CE1-CB 3.5Å; F154-C235 VanDerWaalsContact CE1-CB 3.5Å; F154-C235 HydrophobicContact CZ-CB 3.33Å
155L38.9Very low46.1Very low0 Ų063.7 Ų63.70%030%0.301CS..  trans-165.4126.3-174.4-74.8-172.3000113.5L150 M171 F172 A231 L334 A338L150-L155 WeakPolarHBondContact CA-O 3.34Å; L150-L155 WeakPolarHBondContact CB-O 3.01Å; L150-L155 WeakPolarHBondContact CD1-O 3.46Å; L150-L155 WeakPolarHBondContact CD2-O 3.34Å; L150-L155 WeakPolarHBondContact CG-O 3.01Å; L150-L155 CarbonylContact O-C 3.28Å; L150-L155 PolarHBondContact O-N 2.78Å; L155-M171 VanDerWaalsContact C-SD 3.52Å; L155-M171 HydrophobicContact CB-CE 4.09Å; L155-M171 HydrophobicContact CB-CG 4.32Å; L155-M171 HydrophobicContact CB-SD 3.67Å; L155-M171 HydrophobicContact CD1-CE 4Å; L155-M171 HydrophobicContact CD2-CE 3.78Å; L155-M171 HydrophobicContact CD2-CG 4.27Å; L155-M171 HydrophobicContact CD2-SD 4.21Å; L155-M171 HydrophobicContact CG-CE 4.19Å; L155-M171 HydrophobicContact CG-SD 4.37Å; L155-F172 CarbonylContact C-O 3.39Å; L155-F172 VanDerWaalsContact C-O 3.24Å; L155-F172 WeakPolarHBondContact CA-O 3.06Å; L155-F172 PolarHBondContact N-O 3.22Å; L155-A231 HydrophobicContact CD1-CB 3.16Å; L155-A231 HydrophobicContact CG-CB 3.73Å; L155-L334 HydrophobicContact CD1-CD1 3.38Å; L155-L334 HydrophobicContact CD1-CD2 3.81Å; L155-L334 HydrophobicContact CD1-CG 3.71Å; L155-A338 HydrophobicContact CD2-CB 4.17Å
156G29.1Very low44.9Very low0 Ų067.7 Ų67.70%032%0.317CS..  trans175.3142.915000000116.4F146 M171 F172 N213F146-G156 WeakPolarHBondContact CB-O 3.09Å; F146-G156 WeakPolarHBondContact CD1-O 3.4Å; F146-G156 WeakPolarHBondContact CG-O 3.49Å; G156-M171 WeakPolarHBondContact CA-SD 3.18Å; G156-M171 PolarHBondContact N-SD 2.91Å; G156-M171 CarbonylContact O-C 3.2Å; G156-M171 WeakPolarHBondContact O-CA 3.27Å; G156-F172 PolarHBondContact N-O 3.42Å; G156-F172 PolarHBondContact O-N 3Å; G156-N213 WeakPolarHBondContact CA-OD1 3.46Å; G156-N213 PolarHBondContact O-OD1 3.3Å
157S32.8Very low43.1Very low9 Ų976.9 Ų76.96%0.06336%0.357CS..BIsolated β-bridgetrans-111137.2-179.1-173.90000129.6Y170 N213 T215S157-Y170 CarbonylContact C-O 3.58Å; S157-Y170 WeakPolarHBondContact CA-O 3.16Å; S157-Y170 WeakPolarHBondContact CB-O 3.45Å; S157-Y170 PolarHBondContact OG-N 2.97Å; S157-Y170 PolarHBondContact OG-O 2.9Å; S157-N213 VanDerWaalsContact C-CB 3.4Å; S157-N213 VanDerWaalsContact CA-CB 3.41Å; S157-N213 WeakPolarHBondContact CA-ND2 3.32Å; S157-N213 PolarHBondContact N-OD1 2.88Å; S157-N213 WeakPolarHBondContact O-CB 3.18Å; S157-N213 PolarHBondContact O-ND2 3.35Å; S157-T215 WeakPolarHBondContact O-CG2 3.24Å
158K32.7Very low41Very low76 Ų7681.2 Ų81.233%0.3338%0.376SS..  trans54.1114.8159.7-166.3177.3-175.9176.50121.3G145 Y170 N213 T215G145-K158 WeakPolarHBondContact O-CA 3.47Å; G145-K158 PolarHBondContact O-N 2.05Å; K158-Y170 PolarHBondContact N-O 2.91Å; K158-N213 PolarHBondContact N-ND2 3.05Å; K158-T215 WeakPolarHBondContact O-CG2 3.45Å
159R27.9Very low39.7Very low179 Ų17988.5 Ų88.568%0.67540%0.402SS*.  trans-92.5129.7151.3-174.7166.6171.5173.6-4.8110.8P141 G145 L161P141-R159 HydrophobicContact CG-CB 4.2Å; G145-R159 PolarHBondContact O-N 3.47Å; R159-L161 PolarHBondContact O-N 3.38Å
160M26.9Very low38.2Very low146 Ų14691.8 Ų91.872%0.71942%0.415SS*.  trans-68.3109.4174-172.9159.477.200110.1
161L31.1Very low37.1Very low153 Ų15391.8 Ų91.880%0.80142%0.415SS*.  trans-97.8137.2147.1-73.9169.6000106.7R159 H163R159-L161 PolarHBondContact O-N 3.38Å; L161-H163 PolarHBondContact O-N 2.86Å
162L29.8Very low36.6Very low148 Ų14891.8 Ų91.878%0.77542%0.415SS*.SBendtrans-63.684.7-168.2-69.3157.7000112.1
163H34.2Very low36.7Very low173 Ų17391.5 Ų91.580%0.80141%0.413SS*.  trans-137106.7152-72-47.6000108.4L161 D165L161-H163 PolarHBondContact O-N 2.86Å; H163-D165 PolarHBondContact O-N 3.29Å
164R41.1Very low37.2Very low235 Ų23591.4 Ų91.489%0.88741%0.413SS*.  trans-61.8108.3156.3-60.1178.2178.2-178.8-1103.7
165D38.8Very low38.4Very low150 Ų15091.2 Ų91.280%0.80241%0.412SS*.SBend-165.410.782.6-81-42.6000115H163H163-D165 PolarHBondContact O-N 3.29Å
166D37.3Very low40.6Very low106 Ų10691.5 Ų91.557%0.56741%0.413SS*.  trans-106.497.6175.8-106.96.6000111.6K168D166-K168 PolarHBondContact O-N 3.08Å; D166-K168 IonicContact OD2-NZ 3.78Å; D166-K168 PolarHBondContact OD2-NZ 2.86Å
167K29.6Very low43.4Very low194 Ų19491.5 Ų91.584%0.84341%0.413SS*.  trans-71.454.9171.4-71.6-179.3-178.31690111.7R169K167-R169 PolarHBondContact O-N 3.21Å
168K29.5Very low46.2Very low110 Ų11091 Ų9148%0.47841%0.41SS..  trans-83.6103.7168.8-76.8162.5178.4152.70109.4D166 Y170D166-K168 PolarHBondContact O-N 3.08Å; D166-K168 IonicContact OD2-NZ 3.78Å; D166-K168 PolarHBondContact OD2-NZ 2.86Å; K168-Y170 HydrophobicContact CB-CD2 4.13Å; K168-Y170 HydrophobicContact CB-CE2 3.47Å; K168-Y170 VanDerWaalsContact CB-CE2 3.47Å; K168-Y170 HydrophobicContact CD-CE2 4.25Å; K168-Y170 WeakPolarHBondContact CD-OH 3.46Å; K168-Y170 HydrophobicContact CG-CE2 4.2Å
169R29.2Very low49Very low166 Ų16687.7 Ų87.763%0.62640%0.396SS*.  trans-85.8112.6169.9-61.3176.4-176.1153.8-1.2107.1K167 W341K167-R169 PolarHBondContact O-N 3.21Å; R169-W341 HydrophobicContact CB-CZ2 4Å
170Y29.1Very low52Low69 Ų6979.3 Ų79.327%0.27137%0.365SS..  trans-114.5123.6171.9-64-65.7000108.2F146 S157 K158 K168F146-Y170 WeakPolarHBondContact CD1-O 3.47Å; F146-Y170 VanDerWaalsContact CE1-CB 3.47Å; F146-Y170 WeakPolarHBondContact CE1-O 3.27Å; F146-Y170 VanDerWaalsContact CZ-CB 3.43Å; F146-Y170 HydrophobicContact CZ-CG 4.5Å; S157-Y170 CarbonylContact C-O 3.58Å; S157-Y170 WeakPolarHBondContact CA-O 3.16Å; S157-Y170 WeakPolarHBondContact CB-O 3.45Å; S157-Y170 PolarHBondContact OG-N 2.97Å; S157-Y170 PolarHBondContact OG-O 2.9Å; K158-Y170 PolarHBondContact N-O 2.91Å; K168-Y170 HydrophobicContact CB-CD2 4.13Å; K168-Y170 HydrophobicContact CB-CE2 3.47Å; K168-Y170 VanDerWaalsContact CB-CE2 3.47Å; K168-Y170 HydrophobicContact CD-CE2 4.25Å; K168-Y170 WeakPolarHBondContact CD-OH 3.46Å; K168-Y170 HydrophobicContact CG-CE2 4.2Å
171M39Very low55.1Low0 Ų072.5 Ų72.50%033%0.331CS..BIsolated β-bridgetrans-102.2139.1165.6165118.8104.800115.3F146 L155 G156 V173 L212 T337 W341F146-M171 WeakPolarHBondContact CE1-O 3.18Å; L155-M171 VanDerWaalsContact C-SD 3.52Å; L155-M171 HydrophobicContact CB-CE 4.09Å; L155-M171 HydrophobicContact CB-CG 4.32Å; L155-M171 HydrophobicContact CB-SD 3.67Å; L155-M171 HydrophobicContact CD1-CE 4Å; L155-M171 HydrophobicContact CD2-CE 3.78Å; L155-M171 HydrophobicContact CD2-CG 4.27Å; L155-M171 HydrophobicContact CD2-SD 4.21Å; L155-M171 HydrophobicContact CG-CE 4.19Å; L155-M171 HydrophobicContact CG-SD 4.37Å; G156-M171 WeakPolarHBondContact CA-SD 3.18Å; G156-M171 PolarHBondContact N-SD 2.91Å; G156-M171 CarbonylContact O-C 3.2Å; G156-M171 WeakPolarHBondContact O-CA 3.27Å; M171-V173 HydrophobicContact CG-CG2 4.19Å; M171-V173 WeakPolarHBondContact O-CG2 3.46Å; M171-L212 HydrophobicContact CE-CB 3.72Å; M171-L212 HydrophobicContact CE-CD1 3.6Å; M171-L212 HydrophobicContact CE-CD2 4.48Å; M171-L212 HydrophobicContact CE-CG 4.13Å; M171-L212 HydrophobicContact SD-CB 4.03Å; M171-T337 HydrophobicContact CE-CG2 3.85Å; M171-W341 HydrophobicContact CB-CB 3.89Å; M171-W341 HydrophobicContact CB-CD2 3.44Å; M171-W341 VanDerWaalsContact CB-CD2 3.44Å; M171-W341 HydrophobicContact CB-CE3 2.79Å; M171-W341 HydrophobicContact CB-CG 3.96Å; M171-W341 HydrophobicContact CB-CH2 4.31Å; M171-W341 HydrophobicContact CB-CZ3 3.25Å; M171-W341 HydrophobicContact CE-CE3 3.31Å; M171-W341 HydrophobicContact CE-CH2 4.48Å; M171-W341 HydrophobicContact CE-CZ3 3.22Å; M171-W341 HydrophobicContact CG-CD2 4.34Å; M171-W341 HydrophobicContact CG-CE3 3.32Å; M171-W341 HydrophobicContact CG-CZ3 3.69Å; M171-W341 HydrophobicContact SD-CE3 3.57Å; M171-W341 VanDerWaalsContact SD-CE3 3.57Å; M171-W341 HydrophobicContact SD-CZ3 3.3Å; M171-W341 WeakPolarHBondContact SD-CZ3 3.11Å
172F43Very low58.1Low0 Ų065.2 Ų65.20%029%0.293CS..  trans-104139.4-172.4-103.8-48.7000114.9A106 L108 T142 D144 F146 F154 L155 G156A106-F172 WeakPolarHBondContact O-CE2 3.3Å; A106-F172 WeakPolarHBondContact O-CZ 3.3Å; L108-F172 HydrophobicContact CB-CE1 3.94Å; L108-F172 HydrophobicContact CB-CZ 4.35Å; L108-F172 HydrophobicContact CD1-CE1 4.33Å; L108-F172 HydrophobicContact CD2-CD1 3.5Å; L108-F172 VanDerWaalsContact CD2-CD1 3.5Å; L108-F172 HydrophobicContact CD2-CE1 3.16Å; L108-F172 HydrophobicContact CD2-CZ 4.21Å; L108-F172 HydrophobicContact CG-CD1 3.94Å; L108-F172 HydrophobicContact CG-CE1 3.15Å; L108-F172 HydrophobicContact CG-CZ 3.72Å; L108-F172 VanDerWaalsContact N-CE1 3.29Å; L108-F172 VanDerWaalsContact N-CZ 3.33Å; T142-F172 HydrophobicContact CG2-CD2 4.11Å; T142-F172 HydrophobicContact CG2-CE2 4.48Å; T142-F172 WeakPolarHBondContact OG1-CD2 3.36Å; T142-F172 WeakPolarHBondContact OG1-CE2 3.07Å; D144-F172 HydrophobicContact CB-CE2 3.6Å; D144-F172 HydrophobicContact CB-CZ 3.55Å; D144-F172 WeakPolarHBondContact OD2-CZ 3.23Å; F146-F172 HydrophobicContact CB-CB 3.89Å; F146-F172 HydrophobicContact CB-CD2 3.48Å; F146-F172 VanDerWaalsContact CB-CD2 3.48Å; F146-F172 HydrophobicContact CB-CE2 4.36Å; F146-F172 HydrophobicContact CB-CG 4.08Å; F146-F172 HydrophobicContact CD1-CB 3.55Å; F146-F172 AromaticContact CD1-CD2 3.6Å; F146-F172 HydrophobicContact CD1-CD2 3.6Å; F146-F172 HydrophobicContact CD1-CE2 4.33Å; F146-F172 AromaticContact CD1-CG 3.58Å; F146-F172 HydrophobicContact CD1-CG 3.58Å; F146-F172 HydrophobicContact CD2-CB 4.24Å; F146-F172 AromaticContact CD2-CD2 2.78Å; F146-F172 HydrophobicContact CD2-CD2 2.78Å; F146-F172 AromaticContact CD2-CE2 2.89Å; F146-F172 HydrophobicContact CD2-CE2 2.89Å; F146-F172 AromaticContact CD2-CG 3.59Å; F146-F172 HydrophobicContact CD2-CG 3.59Å; F146-F172 AromaticContact CD2-CZ 3.87Å; F146-F172 HydrophobicContact CD2-CZ 3.87Å; F146-F172 HydrophobicContact CE1-CB 3.75Å; F146-F172 HydrophobicContact CE1-CD1 4Å; F146-F172 AromaticContact CE1-CD2 3.73Å; F146-F172 HydrophobicContact CE1-CD2 3.73Å; F146-F172 HydrophobicContact CE1-CE2 4.18Å; F146-F172 AromaticContact CE1-CG 3.46Å; F146-F172 HydrophobicContact CE1-CG 3.46Å; F146-F172 VanDerWaalsContact CE1-CG 3.46Å; F146-F172 HydrophobicContact CE2-CD1 4.17Å; F146-F172 AromaticContact CE2-CD2 3.14Å; F146-F172 HydrophobicContact CE2-CD2 3.14Å; F146-F172 HydrophobicContact CE2-CE1 4.1Å; F146-F172 AromaticContact CE2-CE2 2.9Å; F146-F172 HydrophobicContact CE2-CE2 2.9Å; F146-F172 AromaticContact CE2-CG 3.66Å; F146-F172 HydrophobicContact CE2-CG 3.66Å; F146-F172 AromaticContact CE2-CZ 3.4Å; F146-F172 HydrophobicContact CE2-CZ 3.4Å; F146-F172 HydrophobicContact CG-CB 3.59Å; F146-F172 AromaticContact CG-CD2 2.95Å; F146-F172 HydrophobicContact CG-CD2 2.95Å; F146-F172 AromaticContact CG-CE2 3.63Å; F146-F172 HydrophobicContact CG-CE2 3.63Å; F146-F172 AromaticContact CG-CG 3.44Å; F146-F172 HydrophobicContact CG-CG 3.44Å; F146-F172 VanDerWaalsContact CG-CG 3.44Å; F146-F172 HydrophobicContact CZ-CB 4.18Å; F146-F172 AromaticContact CZ-CD1 3.66Å; F146-F172 HydrophobicContact CZ-CD1 3.66Å; F146-F172 AromaticContact CZ-CD2 3.42Å; F146-F172 HydrophobicContact CZ-CD2 3.42Å; F146-F172 VanDerWaalsContact CZ-CD2 3.42Å; F146-F172 AromaticContact CZ-CE1 3.8Å; F146-F172 HydrophobicContact CZ-CE1 3.8Å; F146-F172 AromaticContact CZ-CE2 3.42Å; F146-F172 HydrophobicContact CZ-CE2 3.42Å; F146-F172 VanDerWaalsContact CZ-CE2 3.42Å; F146-F172 AromaticContact CZ-CG 3.39Å; F146-F172 HydrophobicContact CZ-CG 3.39Å; F146-F172 AromaticContact CZ-CZ 3.56Å; F146-F172 HydrophobicContact CZ-CZ 3.56Å; F154-F172 CarbonylContact C-O 3.43Å; L155-F172 CarbonylContact C-O 3.39Å; L155-F172 VanDerWaalsContact C-O 3.24Å; L155-F172 WeakPolarHBondContact CA-O 3.06Å; L155-F172 PolarHBondContact N-O 3.22Å; G156-F172 PolarHBondContact N-O 3.42Å; G156-F172 PolarHBondContact O-N 3Å
173V59.6Low61Low0 Ų058.8 Ų58.80%026%0.259CS..  trans-148.317.7-142.1-164.90000106.8M171 P175 H176 L177 A338 T342M171-V173 HydrophobicContact CG-CG2 4.19Å; M171-V173 WeakPolarHBondContact O-CG2 3.46Å; V173-P175 VanDerWaalsContact C-N 3.34Å; V173-P175 CarbonylContact O-C 3.24Å; V173-P175 VanDerWaalsContact O-N 3.09Å; V173-H176 HydrophobicContact CB-CB 4.46Å; V173-H176 HydrophobicContact CG1-CB 3.35Å; V173-H176 WeakPolarHBondContact CG1-CD2 3.26Å; V173-H176 CarbonylContact O-C 3.59Å; V173-H176 VanDerWaalsContact O-CA 3.3Å; V173-H176 WeakPolarHBondContact O-CA 3.31Å; V173-H176 WeakPolarHBondContact O-CB 3.47Å; V173-H176 PolarHBondContact O-N 2.89Å; V173-L177 PolarHBondContact O-N 3.34Å; V173-A338 HydrophobicContact CG1-CB 3.81Å; V173-T342 HydrophobicContact CB-CG2 3.25Å; V173-T342 HydrophobicContact CG1-CG2 3.46Å; V173-T342 VanDerWaalsContact CG1-CG2 3.46Å; V173-T342 HydrophobicContact CG2-CG2 3.26Å
174G66.1Low63.7Low0 Ų052.1 Ų52.10%023%0.229CC..Hα-helixtrans-45.8-52.1-161.800000113.3H176 L178G174-H176 PolarHBondContact O-N 2.78Å; G174-L178 WeakPolarHBondContact O-CB 3.32Å; G174-L178 PolarHBondContact O-N 3.31Å
175P81.3Confident66.1Low1 Ų142.6 Ų42.61%0.00620%0.195CC..Hα-helixtrans-61.9-38.1174.2-24.735.2000114.6L105 N130 V173 T179L105-P175 HydrophobicContact CD1-CG 4.31Å; N130-P175 HydrophobicContact CB-CB 4.38Å; V173-P175 VanDerWaalsContact C-N 3.34Å; V173-P175 CarbonylContact O-C 3.24Å; V173-P175 VanDerWaalsContact O-N 3.09Å; P175-T179 VanDerWaalsContact O-CB 3.22Å; P175-T179 WeakPolarHBondContact O-CB 3.42Å; P175-T179 PolarHBondContact O-N 2.91Å; P175-T179 PolarHBondContact O-OG1 2.9Å
176H84.8Confident68.6Low6 Ų635.5 Ų35.53%0.02816%0.157CC..Hα-helixtrans-70.9-45.9177165.2114.5000111.8F154 V173 G174 L178 T179 V180 W335 D339F154-H176 HydrophobicContact CE2-CB 4.31Å; F154-H176 HydrophobicContact CZ-CB 4.32Å; V173-H176 HydrophobicContact CB-CB 4.46Å; V173-H176 HydrophobicContact CG1-CB 3.35Å; V173-H176 WeakPolarHBondContact CG1-CD2 3.26Å; V173-H176 CarbonylContact O-C 3.59Å; V173-H176 VanDerWaalsContact O-CA 3.3Å; V173-H176 WeakPolarHBondContact O-CA 3.31Å; V173-H176 WeakPolarHBondContact O-CB 3.47Å; V173-H176 PolarHBondContact O-N 2.89Å; G174-H176 PolarHBondContact O-N 2.78Å; H176-L178 PolarHBondContact O-N 3.27Å; H176-T179 WeakPolarHBondContact O-CB 3.48Å; H176-T179 PolarHBondContact O-N 3.43Å; H176-V180 WeakPolarHBondContact O-CG2 2.95Å; H176-V180 PolarHBondContact O-N 2.81Å; H176-W335 AromaticContact CE1-CD2 3.62Å; H176-W335 AromaticContact CE1-CE2 3.73Å; H176-W335 AromaticContact CE1-CE3 3.39Å; H176-W335 AromaticContact CE1-CH2 3.38Å; H176-W335 WeakPolarHBondContact CE1-CH2 3.43Å; H176-W335 AromaticContact CE1-CZ2 3.66Å; H176-W335 AromaticContact CE1-CZ3 3.25Å; H176-W335 WeakPolarHBondContact CE1-CZ3 3.42Å; H176-W335 AromaticContact ND1-CE3 3.73Å; H176-W335 AromaticContact ND1-CH2 3.82Å; H176-W335 AromaticContact ND1-CZ3 3.39Å; H176-W335 WeakPolarHBondContact ND1-CZ3 3.25Å; H176-D339 IonicContact CD2-OD1 2.79Å; H176-D339 IonicContact CE1-OD1 2.76Å; H176-D339 PolarHBondContact CE1-OD1 3.22Å; H176-D339 IonicContact NE2-OD1 3.94Å; H176-D339 PolarHBondContact NE2-OD1 3.42Å
177L87.4Confident71.2Confident0 Ų034.7 Ų34.70%015%0.149CC..Hα-helixtrans-58.7-50173.1176.161.3000110.3L108 V111 E112 V173 T179 V180 L181 T342 A344L108-L177 HydrophobicContact CB-CD2 4.41Å; L108-L177 HydrophobicContact CD2-CD2 3.61Å; V111-L177 HydrophobicContact CB-CD2 4.1Å; V111-L177 HydrophobicContact CG1-CB 4.24Å; V111-L177 HydrophobicContact CG1-CD2 3.91Å; V111-L177 HydrophobicContact CG1-CG 3.88Å; E112-L177 HydrophobicContact CG-CD2 4.24Å; V173-L177 PolarHBondContact O-N 3.34Å; L177-T179 PolarHBondContact O-N 2.8Å; L177-V180 PolarHBondContact O-N 2.85Å; L177-L181 HydrophobicContact CD1-CD1 3.72Å; L177-L181 HydrophobicContact CD1-CD2 4.13Å; L177-L181 HydrophobicContact CD1-CG 3.69Å; L177-L181 HydrophobicContact CD2-CD1 4.41Å; L177-L181 HydrophobicContact CG-CD1 3.8Å; L177-L181 HydrophobicContact CG-CG 4.15Å; L177-L181 WeakPolarHBondContact O-CB 3.36Å; L177-L181 VanDerWaalsContact O-CG 3.29Å; L177-L181 WeakPolarHBondContact O-CG 3.49Å; L177-L181 PolarHBondContact O-N 2.64Å; L177-T342 HydrophobicContact CB-CG2 4.04Å; L177-A344 HydrophobicContact CD1-CB 3.62Å
178L91.5Very high74.1Confident0 Ų031.1 Ų31.10%014%0.143CC..Hα-helixtrans-55.4-43.4176.9179.261.7000111.3T51 L105 V111 F114 L128 G174 H176 L182T51-L178 HydrophobicContact CG2-CD2 3.62Å; L105-L178 HydrophobicContact CD2-CD2 4.26Å; V111-L178 HydrophobicContact CG1-CB 3.78Å; V111-L178 HydrophobicContact CG1-CD1 4.29Å; F114-L178 HydrophobicContact CD1-CD1 3.56Å; F114-L178 HydrophobicContact CE1-CD1 3.77Å; L128-L178 HydrophobicContact CD1-CD2 4.19Å; L128-L178 HydrophobicContact CD1-CG 4.5Å; G174-L178 WeakPolarHBondContact O-CB 3.32Å; G174-L178 PolarHBondContact O-N 3.31Å; H176-L178 PolarHBondContact O-N 3.27Å; L178-L182 HydrophobicContact CD1-CD1 3.65Å; L178-L182 HydrophobicContact CD1-CG 4.1Å; L178-L182 HydrophobicContact CG-CD1 4.12Å; L178-L182 WeakPolarHBondContact O-CB 3.29Å; L178-L182 VanDerWaalsContact O-CG 3.32Å; L178-L182 WeakPolarHBondContact O-CG 3.2Å; L178-L182 PolarHBondContact O-N 3.26Å; L178-L182 VanDerWaalsContact O-N 3.14Å
179T91.7Very high77.1Confident5 Ų526.2 Ų26.23%0.03112%0.122CC..Hα-helixtrans-61.2-53.6177.3-64.20000110.8N130 P175 H176 L177 L181 L182 L183 I194 L239N130-T179 PolarHBondContact ND2-OG1 2.8Å; P175-T179 VanDerWaalsContact O-CB 3.22Å; P175-T179 WeakPolarHBondContact O-CB 3.42Å; P175-T179 PolarHBondContact O-N 2.91Å; P175-T179 PolarHBondContact O-OG1 2.9Å; H176-T179 WeakPolarHBondContact O-CB 3.48Å; H176-T179 PolarHBondContact O-N 3.43Å; L177-T179 PolarHBondContact O-N 2.8Å; T179-L181 VanDerWaalsContact C-N 3.35Å; T179-L181 PolarHBondContact O-N 2.99Å; T179-L182 PolarHBondContact O-N 2.9Å; T179-L183 HydrophobicContact CG2-CD2 4.34Å; T179-L183 WeakPolarHBondContact O-CG 3.08Å; T179-L183 PolarHBondContact O-N 2.9Å; T179-L183 VanDerWaalsContact O-N 3.1Å; T179-I194 HydrophobicContact CG2-CD1 3.5Å; T179-I194 VanDerWaalsContact CG2-CD1 3.5Å; T179-L239 HydrophobicContact CG2-CD2 3.45Å; T179-L239 VanDerWaalsContact CG2-CD2 3.45Å
180V91Very high79.9Confident4 Ų420.3 Ų20.32%0.02411%0.109CC..Hα-helixtrans-58.2-46.1-179.4173.50000111.2H176 L177 L182 L183 W335 A344H176-V180 WeakPolarHBondContact O-CG2 2.95Å; H176-V180 PolarHBondContact O-N 2.81Å; L177-V180 PolarHBondContact O-N 2.85Å; V180-L182 VanDerWaalsContact C-N 3.26Å; V180-L182 PolarHBondContact O-N 3.11Å; V180-L183 WeakPolarHBondContact O-CB 3.27Å; V180-L183 PolarHBondContact O-N 2.8Å; V180-W335 HydrophobicContact CG2-CH2 3.88Å; V180-W335 HydrophobicContact CG2-CZ2 3.93Å; V180-A344 HydrophobicContact CB-CB 4.05Å; V180-A344 HydrophobicContact CG1-CB 3.75Å; V180-A344 HydrophobicContact CG2-CB 4.42Å
181L92.2Very high82.8Confident3 Ų322.4 Ų22.42%0.01613%0.131CC..Hα-helixtrans-67-24.1-179.4-65.1-179.1000113.9E112 A115 L177 T179 V347 Q348 F351E112-L181 HydrophobicContact CG-CD1 4.06Å; A115-L181 HydrophobicContact CB-CB 3.63Å; A115-L181 HydrophobicContact CB-CD1 3.77Å; A115-L181 HydrophobicContact CB-CG 4.37Å; L177-L181 HydrophobicContact CD1-CD1 3.72Å; L177-L181 HydrophobicContact CD1-CD2 4.13Å; L177-L181 HydrophobicContact CD1-CG 3.69Å; L177-L181 HydrophobicContact CD2-CD1 4.41Å; L177-L181 HydrophobicContact CG-CD1 3.8Å; L177-L181 HydrophobicContact CG-CG 4.15Å; L177-L181 WeakPolarHBondContact O-CB 3.36Å; L177-L181 VanDerWaalsContact O-CG 3.29Å; L177-L181 WeakPolarHBondContact O-CG 3.49Å; L177-L181 PolarHBondContact O-N 2.64Å; T179-L181 VanDerWaalsContact C-N 3.35Å; T179-L181 PolarHBondContact O-N 2.99Å; L181-V347 HydrophobicContact CD1-CG1 4.49Å; L181-V347 HydrophobicContact CD2-CB 3.97Å; L181-V347 HydrophobicContact CD2-CG1 3.65Å; L181-Q348 HydrophobicContact CD2-CB 4.3Å; L181-F351 HydrophobicContact CD1-CE2 4.26Å; L181-F351 HydrophobicContact CD2-CD2 4.29Å; L181-F351 HydrophobicContact CD2-CE2 4.23Å
182L93.2Very high85.4Confident0 Ų022.4 Ų22.40%013%0.131CC..THydrogen-bonded Turntrans-99.22.5177.8-64.9-176.9000113.3F114 A115 I118 L128 L178 T179 V180 D184 Q185 L186F114-L182 HydrophobicContact CE1-CD1 4.46Å; A115-L182 HydrophobicContact CB-CD2 4.12Å; I118-L182 HydrophobicContact CB-CD2 3.99Å; I118-L182 HydrophobicContact CG1-CD2 4.49Å; I118-L182 HydrophobicContact CG2-CD2 3.69Å; L128-L182 HydrophobicContact CD1-CD1 4.39Å; L178-L182 HydrophobicContact CD1-CD1 3.65Å; L178-L182 HydrophobicContact CD1-CG 4.1Å; L178-L182 HydrophobicContact CG-CD1 4.12Å; L178-L182 WeakPolarHBondContact O-CB 3.29Å; L178-L182 VanDerWaalsContact O-CG 3.32Å; L178-L182 WeakPolarHBondContact O-CG 3.2Å; L178-L182 PolarHBondContact O-N 3.26Å; L178-L182 VanDerWaalsContact O-N 3.14Å; T179-L182 PolarHBondContact O-N 2.9Å; V180-L182 VanDerWaalsContact C-N 3.26Å; V180-L182 PolarHBondContact O-N 3.11Å; L182-D184 PolarHBondContact O-N 2.81Å; L182-Q185 PolarHBondContact O-N 2.83Å; L182-L186 HydrophobicContact CB-CD1 4.21Å; L182-L186 WeakPolarHBondContact O-CB 3.34Å; L182-L186 WeakPolarHBondContact O-CD1 2.98Å; L182-L186 WeakPolarHBondContact O-CG 3.42Å; L182-L186 PolarHBondContact O-N 2.83Å
183L91.6Very high87.8Confident12 Ų1223.7 Ų23.76%0.06314%0.136CC..Hα-helixtrans-57.8-37.8-176-80.9177.2000112.6T179 V180 L186 K187 L239 L243T179-L183 HydrophobicContact CG2-CD2 4.34Å; T179-L183 WeakPolarHBondContact O-CG 3.08Å; T179-L183 PolarHBondContact O-N 2.9Å; T179-L183 VanDerWaalsContact O-N 3.1Å; V180-L183 WeakPolarHBondContact O-CB 3.27Å; V180-L183 PolarHBondContact O-N 2.8Å; L183-L186 PolarHBondContact O-N 3.11Å; L183-K187 VanDerWaalsContact O-CG 3.23Å; L183-K187 WeakPolarHBondContact O-CG 3.43Å; L183-K187 PolarHBondContact O-N 3.31Å; L183-L239 HydrophobicContact CD1-CD1 4.27Å; L183-L239 HydrophobicContact CD2-CD1 4.11Å; L183-L243 HydrophobicContact CD2-CD1 4.14Å
184D89.9Confident89.3Confident33 Ų3323.7 Ų23.718%0.17614%0.136CC..Hα-helixtrans-74.9-36.7-176.6-60-37.9000111.5L182 L186 K187 V188 Q348 L352L182-D184 PolarHBondContact O-N 2.81Å; D184-L186 VanDerWaalsContact C-N 3.3Å; D184-L186 PolarHBondContact O-N 3.04Å; D184-K187 PolarHBondContact O-N 2.9Å; D184-K187 IonicContact OD1-NZ 3.76Å; D184-K187 PolarHBondContact OD1-NZ 3.12Å; D184-V188 WeakPolarHBondContact O-CB 3.19Å; D184-V188 VanDerWaalsContact O-CG2 3.28Å; D184-V188 WeakPolarHBondContact O-CG2 3.37Å; D184-V188 PolarHBondContact O-N 3.11Å; D184-Q348 PolarHBondContact OD2-NE2 2.7Å; D184-L352 WeakPolarHBondContact OD2-CD2 3.44Å
185Q91.6Very high90.6Very high36 Ų3623.7 Ų23.717%0.16814%0.136CC..Hα-helixtrans-62.6-41.8171.6-73.359.244.200110.4I119 V125 L182 S189I119-Q185 HydrophobicContact CG1-CG 4.39Å; V125-Q185 HydrophobicContact CB-CB 4.33Å; V125-Q185 HydrophobicContact CG2-CB 4.32Å; L182-Q185 PolarHBondContact O-N 2.83Å; Q185-S189 VanDerWaalsContact O-CB 3.23Å; Q185-S189 WeakPolarHBondContact O-CB 3.42Å; Q185-S189 PolarHBondContact O-N 3.1Å; Q185-S189 PolarHBondContact O-OG 2.97Å
186L92.9Very high91Very high0 Ų024 Ų240%014%0.137CC..Hα-helixtrans-64.1-43.5175.9-73.3158.4000112V125 L128 L182 L183 D184 S189 A190 S192 I194 L248V125-L186 HydrophobicContact CB-CD2 4.49Å; V125-L186 HydrophobicContact CG1-CD2 3.91Å; V125-L186 HydrophobicContact CG1-CG 4.38Å; V125-L186 WeakPolarHBondContact O-CA 3.4Å; V125-L186 WeakPolarHBondContact O-CD2 3.29Å; L128-L186 HydrophobicContact CB-CD1 4.42Å; L128-L186 HydrophobicContact CB-CD2 4.22Å; L128-L186 HydrophobicContact CD2-CD1 4.2Å; L182-L186 HydrophobicContact CB-CD1 4.21Å; L182-L186 WeakPolarHBondContact O-CB 3.34Å; L182-L186 WeakPolarHBondContact O-CD1 2.98Å; L182-L186 WeakPolarHBondContact O-CG 3.42Å; L182-L186 PolarHBondContact O-N 2.83Å; L183-L186 PolarHBondContact O-N 3.11Å; D184-L186 VanDerWaalsContact C-N 3.3Å; D184-L186 PolarHBondContact O-N 3.04Å; L186-S189 CarbonylContact O-C 3.42Å; L186-S189 PolarHBondContact O-N 2.65Å; L186-A190 PolarHBondContact O-N 3.4Å; L186-S192 WeakPolarHBondContact O-CB 3.38Å; L186-S192 PolarHBondContact O-OG 2.8Å; L186-I194 HydrophobicContact CD1-CD1 3.82Å; L186-I194 HydrophobicContact CD1-CG1 4.03Å; L186-I194 HydrophobicContact CD2-CG1 4.49Å; L186-L248 HydrophobicContact CB-CD1 3.53Å; L186-L248 HydrophobicContact CD1-CD1 3.93Å; L186-L248 HydrophobicContact CD2-CD1 4.18Å; L186-L248 HydrophobicContact CG-CD1 4.09Å
187K91.4Very high91Very high90 Ų9024.3 Ų24.339%0.39114%0.139SC..Hα-helixtrans-64.4-45.9177.1-72.6167-167.1162.90112.2L183 D184 S189 A190L183-K187 VanDerWaalsContact O-CG 3.23Å; L183-K187 WeakPolarHBondContact O-CG 3.43Å; L183-K187 PolarHBondContact O-N 3.31Å; D184-K187 PolarHBondContact O-N 2.9Å; D184-K187 IonicContact OD1-NZ 3.76Å; D184-K187 PolarHBondContact OD1-NZ 3.12Å; K187-S189 PolarHBondContact O-N 3.07Å; K187-A190 WeakPolarHBondContact O-CB 3.39Å; K187-A190 PolarHBondContact O-N 2.97Å
188V91Very high90.6Very high119 Ų11924.6 Ų24.672%0.72114%0.14SC*.Hα-helixtrans-64.3-28.7178.8170.30000111.5D184 A190D184-V188 WeakPolarHBondContact O-CB 3.19Å; D184-V188 VanDerWaalsContact O-CG2 3.28Å; D184-V188 WeakPolarHBondContact O-CG2 3.37Å; D184-V188 PolarHBondContact O-N 3.11Å; V188-A190 VanDerWaalsContact C-N 3.32Å
189S92.4Very high89.8Confident7 Ų724.8 Ų24.85%0.04914%0.142CC..THydrogen-bonded Turntrans-94.719.8-178.9-47.40000113.2K124 V125 N126 Q185 L186 K187 P191K124-S189 WeakPolarHBondContact CA-OG 3.4Å; K124-S189 WeakPolarHBondContact CB-OG 3.3Å; V125-S189 PolarHBondContact N-OG 3.05Å; V125-S189 VanDerWaalsContact O-CB 3.26Å; V125-S189 WeakPolarHBondContact O-CB 3.45Å; N126-S189 PolarHBondContact ND2-O 2.99Å; Q185-S189 VanDerWaalsContact O-CB 3.23Å; Q185-S189 WeakPolarHBondContact O-CB 3.42Å; Q185-S189 PolarHBondContact O-N 3.1Å; Q185-S189 PolarHBondContact O-OG 2.97Å; L186-S189 CarbonylContact O-C 3.42Å; L186-S189 PolarHBondContact O-N 2.65Å; K187-S189 PolarHBondContact O-N 3.07Å; S189-P191 CarbonylContact O-C 3.6Å
190A88.2Confident89Confident41 Ų4126.8 Ų26.834%0.33915%0.151SC..  trans-55.6140.9179.200000111.6L186 K187 V188 H247L186-A190 PolarHBondContact O-N 3.4Å; K187-A190 WeakPolarHBondContact O-CB 3.39Å; K187-A190 PolarHBondContact O-N 2.97Å; V188-A190 VanDerWaalsContact C-N 3.32Å; A190-H247 HydrophobicContact CB-CB 3.82Å
191P89.7Confident88.2Confident113 Ų11326.6 Ų26.673%0.73415%0.15SC*.SBendcis-71.3133.40.230.1-34.7000112.2S189S189-P191 CarbonylContact O-C 3.6Å
192S92.7Very high87.6Confident0 Ų026.4 Ų26.40%015%0.149CC..EExtended strand (participates in β ladder)trans-130.4157.1179.264.60000112.4N126 L186 H247 L248 H249N126-S192 CarbonylContact O-C 3.51Å; N126-S192 WeakPolarHBondContact O-CA 3.49Å; N126-S192 WeakPolarHBondContact O-CB 3.4Å; L186-S192 WeakPolarHBondContact O-CB 3.38Å; L186-S192 PolarHBondContact O-OG 2.8Å; S192-H247 PolarHBondContact N-O 3.18Å; S192-H247 PolarHBondContact OG-O 2.94Å; S192-H247 VanDerWaalsContact OG-O 3.1Å; S192-L248 WeakPolarHBondContact O-CA 3.25Å; S192-H249 PolarHBondContact O-N 3.16Å
193R93.1Very high87.3Confident28 Ų2830.2 Ų30.211%0.10617%0.166CC..EExtended strand (participates in β ladder)trans-142.8138.7-172.9-60.6-178.5-179.6-177.911.9111.4N126 L127 L128 H249 Y251 L293 A294 V295 S296N126-R193 PolarHBondContact O-N 3.2Å; L127-R193 WeakPolarHBondContact CA-O 3.4Å; L127-R193 HydrophobicContact CD2-CB 3.93Å; L127-R193 HydrophobicContact CD2-CG 4.48Å; L128-R193 PolarHBondContact N-O 2.64Å; R193-H249 WeakPolarHBondContact CA-O 3.42Å; R193-H249 HydrophobicContact CG-CB 4.23Å; R193-Y251 HydrophobicContact CB-CE2 4.08Å; R193-Y251 HydrophobicContact CG-CE2 4Å; R193-L293 PolarHBondContact NH1-O 2.7Å; R193-A294 WeakPolarHBondContact CD-O 3.1Å; R193-V295 VanDerWaalsContact NH1-C 3.31Å; R193-S296 VanDerWaalsContact CZ-O 3.27Å; R193-S296 PolarHBondContact NH1-O 2.85Å; R193-S296 PolarHBondContact NH2-O 3.47Å
194I92.8Very high86.9Confident0 Ų036.4 Ų36.40%019%0.188CC..EExtended strand (participates in β ladder)trans-112.9123.3172.7-53.8-177.5000108.3L128 T179 L186 L239 L248 H249 T250 Y251L128-I194 HydrophobicContact CB-CG1 4.19Å; L128-I194 HydrophobicContact CB-CG2 4.38Å; L128-I194 HydrophobicContact CD2-CD1 4.38Å; L128-I194 HydrophobicContact CD2-CG1 4.45Å; L128-I194 HydrophobicContact CD2-CG2 4.24Å; L128-I194 HydrophobicContact CG-CG2 4.33Å; L128-I194 CarbonylContact O-C 3.46Å; L128-I194 VanDerWaalsContact O-CA 3.32Å; L128-I194 WeakPolarHBondContact O-CA 3.49Å; T179-I194 HydrophobicContact CG2-CD1 3.5Å; T179-I194 VanDerWaalsContact CG2-CD1 3.5Å; L186-I194 HydrophobicContact CD1-CD1 3.82Å; L186-I194 HydrophobicContact CD1-CG1 4.03Å; L186-I194 HydrophobicContact CD2-CG1 4.49Å; I194-L239 HydrophobicContact CD1-CD2 4.09Å; I194-L248 HydrophobicContact CB-CD2 4.37Å; I194-L248 HydrophobicContact CD1-CD1 3.77Å; I194-L248 HydrophobicContact CD1-CD2 3.36Å; I194-L248 HydrophobicContact CD1-CG 4.06Å; I194-L248 HydrophobicContact CG1-CD1 3.78Å; I194-L248 HydrophobicContact CG1-CD2 3.63Å; I194-L248 HydrophobicContact CG1-CG 3.96Å; I194-H249 PolarHBondContact N-O 3.47Å; I194-T250 HydrophobicContact CB-CG2 4.15Å; I194-T250 HydrophobicContact CD1-CG2 4.47Å; I194-T250 CarbonylContact O-C 3.54Å; I194-T250 VanDerWaalsContact O-CA 3.27Å; I194-T250 WeakPolarHBondContact O-CA 3.46Å; I194-Y251 PolarHBondContact O-N 3.08Å
195V91.8Very high86.7Confident0 Ų035.2 Ų35.20%018%0.184CC..EExtended strand (participates in β ladder)trans-112.5113.3173.9-177.10000109.5L128 I129 N130 M197 Y251 V290 L293 A294L128-V195 PolarHBondContact O-N 3.47Å; I129-V195 HydrophobicContact CD1-CB 3.8Å; I129-V195 HydrophobicContact CD1-CG2 3.89Å; N130-V195 PolarHBondContact N-O 3.11Å; V195-M197 HydrophobicContact CG1-SD 4.32Å; V195-Y251 CarbonylContact C-O 3.49Å; V195-Y251 WeakPolarHBondContact CA-O 3.37Å; V195-Y251 HydrophobicContact CG2-CD2 4.2Å; V195-V290 HydrophobicContact CG1-CG1 4.32Å; V195-L293 HydrophobicContact CG1-CD2 4.37Å; V195-A294 HydrophobicContact CG2-CB 3.84Å
196N89.5Confident86.5Confident7 Ų738.6 Ų38.64%0.03720%0.199CC..EExtended strand (participates in β ladder)trans-97.4112.6176.6-69.5-31.9000109.5N130 R232 T236 Y251 K252N130-N196 WeakPolarHBondContact CB-OD1 3.46Å; N130-N196 PolarHBondContact ND2-OD1 3.37Å; N196-R232 HydrophobicContact CB-CG 4.26Å; N196-T236 PolarHBondContact ND2-OG1 3.05Å; N196-Y251 PolarHBondContact N-O 3.46Å; N196-K252 VanDerWaalsContact O-CA 3.31Å; N196-K252 WeakPolarHBondContact O-CA 3.18Å
197M84.5Confident86.3Confident12 Ų1238.8 Ų38.86%0.05920%0.2CC..EExtended strand (participates in β ladder)trans-70.7136.8177.8-62.4-58.4-71.300110.5I57 N130 N131 V195 R232 Y253 V290I57-M197 HydrophobicContact CD1-CE 4.15Å; I57-M197 HydrophobicContact CG2-CE 4.04Å; N130-M197 PolarHBondContact O-N 3.02Å; N131-M197 VanDerWaalsContact CA-CG 3.43Å; N131-M197 HydrophobicContact CB-CG 3.61Å; V195-M197 HydrophobicContact CG1-SD 4.32Å; M197-R232 WeakPolarHBondContact O-CD 3.45Å; M197-R232 PolarHBondContact O-NH1 2.95Å; M197-Y253 HydrophobicContact CE-CD1 3.48Å; M197-Y253 VanDerWaalsContact CE-CD1 3.48Å; M197-Y253 HydrophobicContact CE-CE1 4.28Å; M197-Y253 HydrophobicContact CE-CG 4.12Å; M197-V290 HydrophobicContact CE-CG2 3.61Å; M197-V290 HydrophobicContact SD-CG2 3.47Å; M197-V290 WeakPolarHBondContact SD-CG2 3.23Å
198I78.9Confident86.1Confident7 Ų736.6 Ų36.64%0.03619%0.193CC..EExtended strand (participates in β ladder)trans-132.6160176.761.2170.7000111.4R232 V233 K252 Y253 V254 K255 T306I198-R232 HydrophobicContact CG2-CB 4.24Å; I198-R232 HydrophobicContact CG2-CG 3.98Å; I198-V233 HydrophobicContact CD1-CG2 3.8Å; I198-V233 HydrophobicContact CG2-CG2 4.19Å; I198-K252 HydrophobicContact CD1-CB 3.73Å; I198-K252 HydrophobicContact CD1-CD 4.37Å; I198-K252 HydrophobicContact CD1-CG 4.38Å; I198-K252 HydrophobicContact CG1-CB 4.02Å; I198-K252 HydrophobicContact CG2-CB 4.5Å; I198-Y253 CarbonylContact C-O 3.59Å; I198-Y253 VanDerWaalsContact CG1-O 3.32Å; I198-Y253 WeakPolarHBondContact CG1-O 3.3Å; I198-Y253 PolarHBondContact N-O 3Å; I198-V254 HydrophobicContact CD1-CG2 3.6Å; I198-V254 HydrophobicContact CG1-CG2 3.9Å; I198-K255 PolarHBondContact O-N 2.95Å; I198-T306 HydrophobicContact CD1-CG2 3.52Å
199D75.6Confident86Confident4 Ų432.6 Ų32.62%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-103.6155.5168.3-175.487.1000110.6S201 C202 Y225 Q229 T257D199-S201 WeakPolarHBondContact CB-OG 3.49Å; D199-S201 PolarHBondContact O-N 3.42Å; D199-S201 WeakPolarHBondContact OD2-CB 3.48Å; D199-S201 PolarHBondContact OD2-N 3.18Å; D199-S201 PolarHBondContact OD2-OG 3.36Å; D199-S201 VanDerWaalsContact OD2-OG 3.11Å; D199-C202 PolarHBondContact O-N 3.3Å; D199-C202 VanDerWaalsContact O-N 3.1Å; D199-C202 PolarHBondContact O-SG 2.77Å; D199-Y225 HydrophobicContact CB-CE1 4.04Å; D199-Y225 VanDerWaalsContact CB-OH 3.27Å; D199-Y225 WeakPolarHBondContact CB-OH 3.28Å; D199-Q229 HydrophobicContact CB-CG 4.26Å; D199-T257 VanDerWaalsContact OD1-CG2 3.22Å; D199-T257 WeakPolarHBondContact OD1-CG2 3.44Å; D199-T257 PolarHBondContact OD1-N 2.8Å; D199-T257 PolarHBondContact OD1-OG1 2.87Å
200I75.8Confident85.7Confident46 Ų4639.1 Ų39.124%0.23620%0.195CC..G310 helixtrans-57.5-21.3177.7-169.9169000112.9C202 K203 V254 K255I200-C202 PolarHBondContact O-N 2.88Å; I200-C202 VanDerWaalsContact O-N 3.12Å; I200-K203 PolarHBondContact O-N 3.06Å; I200-K203 VanDerWaalsContact O-N 3.14Å; I200-V254 VanDerWaalsContact CA-CG1 3.49Å; I200-V254 HydrophobicContact CB-CG1 3.57Å; I200-V254 HydrophobicContact CG1-CG1 4.14Å; I200-K255 PolarHBondContact N-O 3.28Å; I200-K255 VanDerWaalsContact N-O 3.11Å
201S73.4Confident85.5Confident0 Ų037.8 Ų37.80%018%0.183CC..G310 helixtrans-51-26.6170.853.60000115.3D199 K203 R204 G205 Y225 D226 Q229D199-S201 WeakPolarHBondContact CB-OG 3.49Å; D199-S201 PolarHBondContact O-N 3.42Å; D199-S201 WeakPolarHBondContact OD2-CB 3.48Å; D199-S201 PolarHBondContact OD2-N 3.18Å; D199-S201 PolarHBondContact OD2-OG 3.36Å; D199-S201 VanDerWaalsContact OD2-OG 3.11Å; S201-K203 PolarHBondContact O-N 2.93Å; S201-K203 VanDerWaalsContact O-N 3.08Å; S201-R204 WeakPolarHBondContact O-CA 3.16Å; S201-R204 PolarHBondContact O-N 2.63Å; S201-G205 PolarHBondContact O-N 3.1Å; S201-Y225 WeakPolarHBondContact OG-CE1 3.38Å; S201-D226 WeakPolarHBondContact CB-OD1 3.24Å; S201-Q229 VanDerWaalsContact OG-CG 3.29Å; S201-Q229 WeakPolarHBondContact OG-CG 3.3Å
202C80.3Confident85.2Confident0 Ų032.9 Ų32.90%015%0.15CC..G310 helixtrans-53.7-30.3176.158.60000113D199 I200 R204 G205 Q229 V233 I321D199-C202 PolarHBondContact O-N 3.3Å; D199-C202 VanDerWaalsContact O-N 3.1Å; D199-C202 PolarHBondContact O-SG 2.77Å; I200-C202 PolarHBondContact O-N 2.88Å; I200-C202 VanDerWaalsContact O-N 3.12Å; C202-R204 PolarHBondContact O-N 2.93Å; C202-G205 PolarHBondContact O-N 3.5Å; C202-Q229 HydrophobicContact CB-CB 3.86Å; C202-V233 HydrophobicContact CB-CG2 3.92Å; C202-I321 HydrophobicContact CB-CG2 4.27Å; C202-I321 WeakPolarHBondContact SG-CD1 2.85Å
203K85.7Confident84.4Confident80 Ų8033.3 Ų33.335%0.34815%0.152SC..G310 helixtrans-66.7-23.1176-61.9-157.5178.2-147.40113.9I200 S201 T319 E320 I321I200-K203 PolarHBondContact O-N 3.06Å; I200-K203 VanDerWaalsContact O-N 3.14Å; S201-K203 PolarHBondContact O-N 2.93Å; S201-K203 VanDerWaalsContact O-N 3.08Å; K203-T319 WeakPolarHBondContact CE-OG1 3.17Å; K203-T319 PolarHBondContact NZ-OG1 2.8Å; K203-E320 WeakPolarHBondContact CE-O 3.25Å; K203-E320 PolarHBondContact NZ-O 3.31Å; K203-I321 HydrophobicContact CG-CD1 4.07Å
204R83.7Confident83.7Confident142 Ų14232.7 Ų32.754%0.53615%0.153SC..G310 helixtrans-102.4-1.1179.3-62.3-178.2-66.997.910.7112.1S201 C202 D226S201-R204 WeakPolarHBondContact O-CA 3.16Å; S201-R204 PolarHBondContact O-N 2.63Å; C202-R204 PolarHBondContact O-N 2.93Å; R204-D226 IonicContact CZ-OD1 2.67Å; R204-D226 IonicContact CZ-OD2 3.92Å; R204-D226 IonicContact NH1-OD1 3.15Å; R204-D226 IonicContact NH1-OD2 2.92Å; R204-D226 PolarHBondContact NH1-OD2 2.68Å; R204-D226 IonicContact NH2-OD1 3.75Å; R204-D226 PolarHBondContact NH2-OD1 3.14Å; R204-D226 VanDerWaalsContact NH2-OD1 3.11Å; R204-D226 IonicContact NH2-OD2 3.32Å; R204-D226 PolarHBondContact NH2-OD2 3.15Å
205G85Confident82.6Confident7 Ų735.7 Ų35.77%0.07217%0.171CC..  trans-71.8158.717900000111.5S201 C202 L230 N322S201-G205 PolarHBondContact O-N 3.1Å; C202-G205 PolarHBondContact O-N 3.5Å; G205-L230 WeakPolarHBondContact O-CD2 3.46Å; G205-N322 PolarHBondContact O-ND2 3.07Å; G205-N322 VanDerWaalsContact O-ND2 3.14Å
206H88.7Confident81.4Confident108 Ų10842.3 Ų42.350%0.520%0.2SC..  trans-140.2136.4170.4173.865000107.4N208 Q227 E324H206-N208 PolarHBondContact O-N 2.97Å; H206-Q227 WeakPolarHBondContact O-CB 3.39Å; H206-Q227 VanDerWaalsContact O-CG 3.25Å; H206-Q227 WeakPolarHBondContact O-CG 3.32Å; H206-Q227 PolarHBondContact O-OE1 2.98Å; H206-E324 IonicContact CE1-OE1 3.68Å; H206-E324 PolarHBondContact CE1-OE1 3.37Å; H206-E324 IonicContact CG-OE1 2.77Å; H206-E324 IonicContact ND1-OE1 3.48Å; H206-E324 PolarHBondContact ND1-OE1 2.9Å; H206-E324 IonicContact ND1-OE2 2.65Å; H206-E324 PolarHBondContact ND1-OE2 3.47Å
207V88.5Confident80.2Confident3 Ų348 Ų482%0.01823%0.231CC..  trans-88.495.6178-1760000109.7F209 L212 L230 E324 V330 L334V207-F209 HydrophobicContact CB-CE2 4.09Å; V207-F209 HydrophobicContact CB-CZ 4.45Å; V207-F209 HydrophobicContact CG1-CD1 4.34Å; V207-F209 HydrophobicContact CG1-CD2 3.97Å; V207-F209 HydrophobicContact CG1-CE1 3.96Å; V207-F209 HydrophobicContact CG1-CE2 3.58Å; V207-F209 HydrophobicContact CG1-CG 4.35Å; V207-F209 HydrophobicContact CG1-CZ 3.57Å; V207-F209 WeakPolarHBondContact O-CD2 3.45Å; V207-F209 PolarHBondContact O-N 3.1Å; V207-L212 HydrophobicContact CG1-CD2 3.58Å; V207-L230 HydrophobicContact CG2-CD2 3.79Å; V207-L230 HydrophobicContact CG2-CG 4.11Å; V207-E324 PolarHBondContact N-OE2 3.03Å; V207-V330 HydrophobicContact CB-CG1 4.47Å; V207-V330 HydrophobicContact CG2-CG1 4.25Å; V207-L334 HydrophobicContact CG1-CD1 3.77Å; V207-L334 HydrophobicContact CG1-CD2 4.3Å; V207-L334 HydrophobicContact CG2-CD2 4.26Å
208N87.9Confident79.4Confident45 Ų4556.7 Ų56.724%0.24127%0.268CS..  trans-76.492.9175.3-178.4-8.5000111.3H206 Q210 D211 L212H206-N208 PolarHBondContact O-N 2.97Å; N208-Q210 PolarHBondContact O-N 3.1Å; N208-Q210 WeakPolarHBondContact OD1-CA 3.48Å; N208-Q210 WeakPolarHBondContact OD1-CB 3.42Å; N208-Q210 PolarHBondContact OD1-N 3.18Å; N208-Q210 PolarHBondContact OD1-OE1 2.77Å; N208-D211 CarbonylContact O-C 3.6Å; N208-D211 PolarHBondContact O-N 3.26Å; N208-D211 PolarHBondContact OD1-N 3.34Å; N208-L212 WeakPolarHBondContact O-CA 3.41Å; N208-L212 VanDerWaalsContact O-CD2 3.25Å; N208-L212 WeakPolarHBondContact O-CD2 3.04Å; N208-L212 VanDerWaalsContact O-CG 3.28Å; N208-L212 WeakPolarHBondContact O-CG 3.41Å; N208-L212 PolarHBondContact O-N 2.88Å
209F87.8Confident78.9Confident35 Ų3558.7 Ų58.715%0.15428%0.281CS..THydrogen-bonded Turntrans-65.8-22.5178.4-75.4-75.7000114.5V207 D211 L212 V330 R333 L334V207-F209 HydrophobicContact CB-CE2 4.09Å; V207-F209 HydrophobicContact CB-CZ 4.45Å; V207-F209 HydrophobicContact CG1-CD1 4.34Å; V207-F209 HydrophobicContact CG1-CD2 3.97Å; V207-F209 HydrophobicContact CG1-CE1 3.96Å; V207-F209 HydrophobicContact CG1-CE2 3.58Å; V207-F209 HydrophobicContact CG1-CG 4.35Å; V207-F209 HydrophobicContact CG1-CZ 3.57Å; V207-F209 WeakPolarHBondContact O-CD2 3.45Å; V207-F209 PolarHBondContact O-N 3.1Å; F209-D211 VanDerWaalsContact C-N 3.35Å; F209-L212 HydrophobicContact CD1-CD1 3.94Å; F209-L212 HydrophobicContact CD1-CD2 4.12Å; F209-L212 HydrophobicContact CD1-CG 4.36Å; F209-L212 HydrophobicContact CE1-CD1 4.46Å; F209-L212 HydrophobicContact CE1-CD2 4.49Å; F209-V330 HydrophobicContact CE2-CG1 4.08Å; F209-V330 HydrophobicContact CE2-CG2 4.28Å; F209-V330 HydrophobicContact CZ-CG1 4.05Å; F209-R333 HydrophobicContact CD1-CG 3.96Å; F209-R333 VanDerWaalsContact CD1-NE 3.31Å; F209-R333 HydrophobicContact CE1-CB 3.95Å; F209-R333 VanDerWaalsContact CE1-CD 3.42Å; F209-R333 HydrophobicContact CE1-CG 3.48Å; F209-R333 VanDerWaalsContact CE1-CG 3.48Å; F209-R333 HydrophobicContact CZ-CB 4.07Å; F209-R333 HydrophobicContact CZ-CG 4.04Å; F209-L334 HydrophobicContact CE1-CB 4.46Å; F209-L334 HydrophobicContact CE1-CD1 4.05Å; F209-L334 HydrophobicContact CZ-CB 4.45Å; F209-L334 HydrophobicContact CZ-CD1 4.44Å
210Q86.3Confident78.7Confident143 Ų14364.8 Ų64.867%0.66831%0.31SS*.THydrogen-bonded Turntrans-77.8-22.9179.3-65.878.42.100112.5N208 K216N208-Q210 PolarHBondContact O-N 3.1Å; N208-Q210 WeakPolarHBondContact OD1-CA 3.48Å; N208-Q210 WeakPolarHBondContact OD1-CB 3.42Å; N208-Q210 PolarHBondContact OD1-N 3.18Å; N208-Q210 PolarHBondContact OD1-OE1 2.77Å; Q210-K216 PolarHBondContact O-NZ 3.32Å
211D83.8Confident78.6Confident14 Ų1465.9 Ų65.98%0.07532%0.32CS..SBendtrans-150.464.3176.3-169.320.3000111.3N208 F209 N213 S214 T215 K216N208-D211 CarbonylContact O-C 3.6Å; N208-D211 PolarHBondContact O-N 3.26Å; N208-D211 PolarHBondContact OD1-N 3.34Å; F209-D211 VanDerWaalsContact C-N 3.35Å; D211-N213 PolarHBondContact O-N 2.66Å; D211-S214 PolarHBondContact O-N 2.85Å; D211-S214 PolarHBondContact OD1-N 3.08Å; D211-S214 VanDerWaalsContact OD2-C 3.29Å; D211-S214 VanDerWaalsContact OD2-CA 3.25Å; D211-S214 WeakPolarHBondContact OD2-CA 3.44Å; D211-T215 PolarHBondContact OD1-N 3.14Å; D211-T215 PolarHBondContact OD1-OG1 3.34Å; D211-T215 PolarHBondContact OD2-N 3.26Å; D211-K216 HydrophobicContact CB-CD 4.25Å; D211-K216 WeakPolarHBondContact OD2-CB 3.46Å; D211-K216 PolarHBondContact OD2-N 3.36Å
212L83.4Confident78.5Confident10 Ų1069 Ų695%0.05233%0.334CS..THydrogen-bonded Turntrans-58.8-22.2-177.1-75.9169.5000113.8L150 M171 V207 N208 F209 Q227 L334 T337 W341L150-L212 WeakPolarHBondContact CD1-O 3.4Å; M171-L212 HydrophobicContact CE-CB 3.72Å; M171-L212 HydrophobicContact CE-CD1 3.6Å; M171-L212 HydrophobicContact CE-CD2 4.48Å; M171-L212 HydrophobicContact CE-CG 4.13Å; M171-L212 HydrophobicContact SD-CB 4.03Å; V207-L212 HydrophobicContact CG1-CD2 3.58Å; N208-L212 WeakPolarHBondContact O-CA 3.41Å; N208-L212 VanDerWaalsContact O-CD2 3.25Å; N208-L212 WeakPolarHBondContact O-CD2 3.04Å; N208-L212 VanDerWaalsContact O-CG 3.28Å; N208-L212 WeakPolarHBondContact O-CG 3.41Å; N208-L212 PolarHBondContact O-N 2.88Å; F209-L212 HydrophobicContact CD1-CD1 3.94Å; F209-L212 HydrophobicContact CD1-CD2 4.12Å; F209-L212 HydrophobicContact CD1-CG 4.36Å; F209-L212 HydrophobicContact CE1-CD1 4.46Å; F209-L212 HydrophobicContact CE1-CD2 4.49Å; L212-Q227 PolarHBondContact O-NE2 3.34Å; L212-L334 HydrophobicContact CD1-CD1 4.44Å; L212-L334 HydrophobicContact CD2-CD1 3.95Å; L212-T337 HydrophobicContact CD1-CG2 3.76Å; L212-W341 HydrophobicContact CB-CH2 4.49Å; L212-W341 HydrophobicContact CB-CZ3 4.17Å; L212-W341 HydrophobicContact CD1-CZ3 4.25Å
213N76.2Confident78.5Confident8 Ų872.8 Ų72.84%0.04336%0.36CS..THydrogen-bonded Turntrans-91.1-9.3173.4-164.134.4000115.1E147 L150 G156 S157 K158 D211 T215E147-N213 VanDerWaalsContact CB-OD1 3.24Å; E147-N213 WeakPolarHBondContact CB-OD1 3.39Å; E147-N213 PolarHBondContact N-OD1 2.92Å; E147-N213 VanDerWaalsContact N-OD1 3.11Å; L150-N213 WeakPolarHBondContact CD1-O 3.08Å; G156-N213 WeakPolarHBondContact CA-OD1 3.46Å; G156-N213 PolarHBondContact O-OD1 3.3Å; S157-N213 VanDerWaalsContact C-CB 3.4Å; S157-N213 VanDerWaalsContact CA-CB 3.41Å; S157-N213 WeakPolarHBondContact CA-ND2 3.32Å; S157-N213 PolarHBondContact N-OD1 2.88Å; S157-N213 WeakPolarHBondContact O-CB 3.18Å; S157-N213 PolarHBondContact O-ND2 3.35Å; K158-N213 PolarHBondContact N-ND2 3.05Å; D211-N213 PolarHBondContact O-N 2.66Å; N213-T215 HydrophobicContact CB-CG2 3.64Å; N213-T215 WeakPolarHBondContact ND2-CG2 3.37Å
214S77.2Confident78.2Confident16 Ų1669 Ų6911%0.11234%0.344CS..  trans59.952.8-172.6-39.80000111.4D211 P219D211-S214 PolarHBondContact O-N 2.85Å; D211-S214 PolarHBondContact OD1-N 3.08Å; D211-S214 VanDerWaalsContact OD2-C 3.29Å; D211-S214 VanDerWaalsContact OD2-CA 3.25Å; D211-S214 WeakPolarHBondContact OD2-CA 3.44Å; S214-P219 VanDerWaalsContact CB-CB 3.44Å; S214-P219 WeakPolarHBondContact O-CG 3.47Å
215T70.6Confident77.8Confident63 Ų6363.2 Ų63.239%0.38732%0.322SS..  trans-95.8-23-17847.50000115.3S157 K158 D211 N213S157-T215 WeakPolarHBondContact O-CG2 3.24Å; K158-T215 WeakPolarHBondContact O-CG2 3.45Å; D211-T215 PolarHBondContact OD1-N 3.14Å; D211-T215 PolarHBondContact OD1-OG1 3.34Å; D211-T215 PolarHBondContact OD2-N 3.26Å; N213-T215 HydrophobicContact CB-CG2 3.64Å; N213-T215 WeakPolarHBondContact ND2-CG2 3.37Å
216K67.5Low77.6Confident138 Ų13863.1 Ų63.160%0.632%0.32SS*.SBendtrans-90.1-41.6-165.1-65.2175.4-178.41670112.3Q210 D211Q210-K216 PolarHBondContact O-NZ 3.32Å; D211-K216 HydrophobicContact CB-CD 4.25Å; D211-K216 WeakPolarHBondContact OD2-CB 3.46Å; D211-K216 PolarHBondContact OD2-N 3.36Å
217D64.5Low77.5Confident128 Ų12858.5 Ų58.568%0.68430%0.298SS*.SBendtrans-117.138.2-156.7-58.9-38.9000115.6
218K66.4Low77.2Confident193 Ų19358.3 Ų58.384%0.83930%0.297SS*.  trans4464.6-175.3-68.8-179-179.3174.80110.5Q220K218-Q220 PolarHBondContact O-N 3.32Å
219P67.7Low77Confident50 Ų5056.4 Ų56.433%0.32529%0.287SS..  trans-63.6141.5-160.435.1-45000111.9S214 P221 V224S214-P219 VanDerWaalsContact CB-CB 3.44Å; S214-P219 WeakPolarHBondContact O-CG 3.47Å; P219-P221 VanDerWaalsContact O-CD 3.29Å; P219-P221 WeakPolarHBondContact O-CD 3.43Å; P219-V224 HydrophobicContact CB-CG2 3.55Å; P219-V224 HydrophobicContact CG-CG2 3.99Å
220Q73.1Confident77Confident132 Ų13254.7 Ų54.762%0.61728%0.279SS*.  trans-65.5118.8175-66.8-60.4-37.400109.1K218 Q222 C223 V224K218-Q220 PolarHBondContact O-N 3.32Å; Q220-Q222 PolarHBondContact O-N 2.92Å; Q220-C223 HydrophobicContact CB-CB 4.18Å; Q220-C223 PolarHBondContact O-N 2.85Å; Q220-V224 WeakPolarHBondContact O-CG2 3.32Å; Q220-V224 PolarHBondContact O-N 2.82Å; Q220-V224 VanDerWaalsContact O-N 3.15Å
221P72.8Confident77.1Confident68 Ų6847.9 Ų47.944%0.44225%0.248SC..Hα-helixtrans-55.5-31.7-173.6-28.435.3000113.6P219 Y225P219-P221 VanDerWaalsContact O-CD 3.29Å; P219-P221 WeakPolarHBondContact O-CD 3.43Å; P221-Y225 WeakPolarHBondContact O-CB 3.44Å; P221-Y225 PolarHBondContact O-N 2.64Å
222Q71.4Confident77.2Confident66 Ų6647.5 Ų47.531%0.30825%0.245SC..Hα-helixtrans-67.1-46.2176.1-169.662.250.300112Q220 V224 Y225 D226Q220-Q222 PolarHBondContact O-N 2.92Å; Q222-V224 VanDerWaalsContact C-N 3.31Å; Q222-V224 PolarHBondContact O-N 3.26Å; Q222-Y225 WeakPolarHBondContact O-CB 3.42Å; Q222-Y225 PolarHBondContact O-N 3.26Å; Q222-D226 PolarHBondContact NE2-OD1 2.6Å; Q222-D226 WeakPolarHBondContact O-CB 3.45Å; Q222-D226 PolarHBondContact O-N 3.24Å; Q222-D226 VanDerWaalsContact O-OD1 3.14Å
223C80.1Confident77.4Confident79 Ų7947 Ų4753%0.53424%0.242SC..Hα-helixtrans-62.9-40179.2-60.20000111.5Q220 D226 Q227Q220-C223 HydrophobicContact CB-CB 4.18Å; Q220-C223 PolarHBondContact O-N 2.85Å; C223-D226 PolarHBondContact O-N 2.95Å; C223-Q227 WeakPolarHBondContact O-CB 3.43Å; C223-Q227 PolarHBondContact O-N 3.21Å
224V79.3Confident78.1Confident2 Ų246.6 Ų46.61%0.01224%0.24CC..Hα-helixtrans-61.4-45.9174.9-176.90000111E147 H149 L150 P219 Q220 Q222 Q227 S228E147-V224 HydrophobicContact CG-CG1 4.06Å; E147-V224 WeakPolarHBondContact OE2-CG1 2.98Å; H149-V224 HydrophobicContact CB-CG1 4.43Å; L150-V224 HydrophobicContact CD1-CG1 3.85Å; L150-V224 HydrophobicContact CD2-CG1 3.86Å; L150-V224 HydrophobicContact CG-CG1 3.49Å; L150-V224 VanDerWaalsContact CG-CG1 3.49Å; P219-V224 HydrophobicContact CB-CG2 3.55Å; P219-V224 HydrophobicContact CG-CG2 3.99Å; Q220-V224 WeakPolarHBondContact O-CG2 3.32Å; Q220-V224 PolarHBondContact O-N 2.82Å; Q220-V224 VanDerWaalsContact O-N 3.15Å; Q222-V224 VanDerWaalsContact C-N 3.31Å; Q222-V224 PolarHBondContact O-N 3.26Å; V224-Q227 PolarHBondContact O-N 2.86Å; V224-S228 PolarHBondContact O-N 3.32Å
225Y74.7Confident78.6Confident19 Ų1946 Ų468%0.07524%0.236CC..Hα-helixtrans-61.2-46.7175.5-179.4-100.3000111.8I134 M135 N153 D199 S201 P221 Q222 Q227 S228 Q229I134-Y225 WeakPolarHBondContact O-CE2 3.31Å; M135-Y225 HydrophobicContact CB-CD2 4.38Å; M135-Y225 HydrophobicContact CB-CE2 4Å; M135-Y225 HydrophobicContact CE-CD1 4.1Å; M135-Y225 HydrophobicContact CE-CE1 3.33Å; M135-Y225 HydrophobicContact CE-CE2 4.11Å; M135-Y225 WeakPolarHBondContact CE-OH 3.29Å; M135-Y225 HydrophobicContact CG-CD2 4.25Å; M135-Y225 HydrophobicContact CG-CE2 4.1Å; N153-Y225 WeakPolarHBondContact ND2-CD2 3.49Å; N153-Y225 VanDerWaalsContact ND2-CE2 3.34Å; N153-Y225 WeakPolarHBondContact ND2-CE2 3.35Å; D199-Y225 HydrophobicContact CB-CE1 4.04Å; D199-Y225 VanDerWaalsContact CB-OH 3.27Å; D199-Y225 WeakPolarHBondContact CB-OH 3.28Å; S201-Y225 WeakPolarHBondContact OG-CE1 3.38Å; P221-Y225 WeakPolarHBondContact O-CB 3.44Å; P221-Y225 PolarHBondContact O-N 2.64Å; Q222-Y225 WeakPolarHBondContact O-CB 3.42Å; Q222-Y225 PolarHBondContact O-N 3.26Å; Y225-Q227 PolarHBondContact O-N 2.91Å; Y225-S228 WeakPolarHBondContact O-CB 3.35Å; Y225-S228 PolarHBondContact O-N 3.06Å; Y225-S228 PolarHBondContact O-OG 3.09Å; Y225-Q229 HydrophobicContact CD1-CG 4.36Å; Y225-Q229 HydrophobicContact CE1-CG 3.89Å; Y225-Q229 HydrophobicContact CE2-CG 4.3Å; Y225-Q229 WeakPolarHBondContact O-CG 3.16Å; Y225-Q229 PolarHBondContact O-N 3.45Å; Y225-Q229 VanDerWaalsContact O-N 3.09Å
226D81.8Confident79.5Confident5 Ų543 Ų433%0.02722%0.218CC..Hα-helixtrans-62.4-44-179.5-60.1-14.2000111.2S201 R204 Q222 C223 S228 Q229 L230S201-D226 WeakPolarHBondContact CB-OD1 3.24Å; R204-D226 IonicContact CZ-OD1 2.67Å; R204-D226 IonicContact CZ-OD2 3.92Å; R204-D226 IonicContact NH1-OD1 3.15Å; R204-D226 IonicContact NH1-OD2 2.92Å; R204-D226 PolarHBondContact NH1-OD2 2.68Å; R204-D226 IonicContact NH2-OD1 3.75Å; R204-D226 PolarHBondContact NH2-OD1 3.14Å; R204-D226 VanDerWaalsContact NH2-OD1 3.11Å; R204-D226 IonicContact NH2-OD2 3.32Å; R204-D226 PolarHBondContact NH2-OD2 3.15Å; Q222-D226 PolarHBondContact NE2-OD1 2.6Å; Q222-D226 WeakPolarHBondContact O-CB 3.45Å; Q222-D226 PolarHBondContact O-N 3.24Å; Q222-D226 VanDerWaalsContact O-OD1 3.14Å; C223-D226 PolarHBondContact O-N 2.95Å; D226-S228 VanDerWaalsContact C-N 3.34Å; D226-S228 PolarHBondContact O-N 3.26Å; D226-Q229 PolarHBondContact O-N 2.95Å; D226-L230 PolarHBondContact O-N 2.6Å
227Q87.1Confident80.6Confident11 Ų1137.6 Ų37.65%0.05119%0.194CC..Hα-helixtrans-58.6-43.6172.6178.5173.1-54.400111.4H206 L212 C223 V224 Y225 Q229 L230 A231H206-Q227 WeakPolarHBondContact O-CB 3.39Å; H206-Q227 VanDerWaalsContact O-CG 3.25Å; H206-Q227 WeakPolarHBondContact O-CG 3.32Å; H206-Q227 PolarHBondContact O-OE1 2.98Å; L212-Q227 PolarHBondContact O-NE2 3.34Å; C223-Q227 WeakPolarHBondContact O-CB 3.43Å; C223-Q227 PolarHBondContact O-N 3.21Å; V224-Q227 PolarHBondContact O-N 2.86Å; Y225-Q227 PolarHBondContact O-N 2.91Å; Q227-Q229 VanDerWaalsContact C-N 3.28Å; Q227-Q229 PolarHBondContact O-N 3.16Å; Q227-L230 PolarHBondContact O-N 2.9Å; Q227-A231 WeakPolarHBondContact O-CB 3.24Å; Q227-A231 PolarHBondContact O-N 2.86Å
228S82.6Confident81.8Confident0 Ų031.6 Ų31.60%016%0.161CC..Hα-helixtrans-59.5-39.3177.282.30000112.1N153 F154 V224 Y225 D226 R232N153-S228 WeakPolarHBondContact CB-OG 2.8Å; N153-S228 PolarHBondContact ND2-OG 3.34Å; F154-S228 WeakPolarHBondContact CB-O 3.11Å; V224-S228 PolarHBondContact O-N 3.32Å; Y225-S228 WeakPolarHBondContact O-CB 3.35Å; Y225-S228 PolarHBondContact O-N 3.06Å; Y225-S228 PolarHBondContact O-OG 3.09Å; D226-S228 VanDerWaalsContact C-N 3.34Å; D226-S228 PolarHBondContact O-N 3.26Å; S228-R232 PolarHBondContact O-N 3.18Å; S228-R232 VanDerWaalsContact O-N 3.16Å
229Q83Confident83Confident4 Ų422.6 Ų22.62%0.01912%0.123CC..Hα-helixtrans-76.3-38.6-179.6-61.4-60.2-39.600111.6D199 S201 C202 Y225 D226 Q227 R232 V233D199-Q229 HydrophobicContact CB-CG 4.26Å; S201-Q229 VanDerWaalsContact OG-CG 3.29Å; S201-Q229 WeakPolarHBondContact OG-CG 3.3Å; C202-Q229 HydrophobicContact CB-CB 3.86Å; Y225-Q229 HydrophobicContact CD1-CG 4.36Å; Y225-Q229 HydrophobicContact CE1-CG 3.89Å; Y225-Q229 HydrophobicContact CE2-CG 4.3Å; Y225-Q229 WeakPolarHBondContact O-CG 3.16Å; Y225-Q229 PolarHBondContact O-N 3.45Å; Y225-Q229 VanDerWaalsContact O-N 3.09Å; D226-Q229 PolarHBondContact O-N 2.95Å; Q227-Q229 VanDerWaalsContact C-N 3.28Å; Q227-Q229 PolarHBondContact O-N 3.16Å; Q229-R232 WeakPolarHBondContact O-CB 3.41Å; Q229-R232 PolarHBondContact O-N 3.02Å; Q229-V233 WeakPolarHBondContact O-CG2 3.43Å; Q229-V233 PolarHBondContact O-N 2.83Å
230L87.2Confident84Confident0 Ų021 Ų210%011%0.112CC..Hα-helixtrans-61.7-48.1173.2172.559000111G205 V207 D226 Q227 R232 V233 V234 I321 N322 E324 A325G205-L230 WeakPolarHBondContact O-CD2 3.46Å; V207-L230 HydrophobicContact CG2-CD2 3.79Å; V207-L230 HydrophobicContact CG2-CG 4.11Å; D226-L230 PolarHBondContact O-N 2.6Å; Q227-L230 PolarHBondContact O-N 2.9Å; L230-R232 PolarHBondContact O-N 3.07Å; L230-V233 WeakPolarHBondContact O-CA 3.37Å; L230-V233 VanDerWaalsContact O-CB 3.24Å; L230-V233 WeakPolarHBondContact O-CB 3.28Å; L230-V233 PolarHBondContact O-N 3.31Å; L230-V234 HydrophobicContact CD1-CG2 3.97Å; L230-V234 HydrophobicContact CG-CG2 4.13Å; L230-V234 WeakPolarHBondContact O-CG2 3.41Å; L230-V234 PolarHBondContact O-N 3.48Å; L230-I321 HydrophobicContact CD1-CG2 3.97Å; L230-N322 VanDerWaalsContact CD1-OD1 3.26Å; L230-N322 WeakPolarHBondContact CD1-OD1 3.07Å; L230-E324 HydrophobicContact CD2-CB 4.41Å; L230-A325 HydrophobicContact CD1-CB 3.84Å
231A88.4Confident84.9Confident0 Ų020.2 Ų20.20%010%0.104CC..Hα-helixtrans-57.2-38.6178.700000111.8F154 L155 Q227 V233 V234 C235 L334F154-A231 HydrophobicContact CD1-CB 3.46Å; F154-A231 VanDerWaalsContact CD1-CB 3.46Å; F154-A231 WeakPolarHBondContact CD1-O 3.5Å; F154-A231 HydrophobicContact CE1-CB 4.07Å; F154-A231 WeakPolarHBondContact CE1-O 3.44Å; F154-A231 HydrophobicContact CG-CB 4.48Å; L155-A231 HydrophobicContact CD1-CB 3.16Å; L155-A231 HydrophobicContact CG-CB 3.73Å; Q227-A231 WeakPolarHBondContact O-CB 3.24Å; Q227-A231 PolarHBondContact O-N 2.86Å; A231-V233 PolarHBondContact O-N 2.93Å; A231-V234 PolarHBondContact O-N 3.2Å; A231-V234 VanDerWaalsContact O-N 3.12Å; A231-C235 PolarHBondContact O-N 3.17Å; A231-L334 HydrophobicContact CB-CD2 3.67Å
232R86.2Confident85.6Confident5 Ų520.9 Ų20.92%0.01910%0.101CC..Hα-helixtrans-57.5-41.9175.2-169.7175.7-83.6178.5-17.4110.9A132 N153 F154 N196 M197 I198 S228 Q229 L230 T236A132-R232 PolarHBondContact O-NH2 3.34Å; N153-R232 PolarHBondContact O-NE 3.43Å; N153-R232 PolarHBondContact O-NH2 3.15Å; F154-R232 HydrophobicContact CB-CB 3.97Å; F154-R232 HydrophobicContact CD1-CB 3.87Å; F154-R232 HydrophobicContact CD2-CB 3.47Å; F154-R232 VanDerWaalsContact CD2-CB 3.47Å; F154-R232 HydrophobicContact CD2-CG 3.46Å; F154-R232 VanDerWaalsContact CD2-CG 3.46Å; F154-R232 HydrophobicContact CE1-CB 4.36Å; F154-R232 VanDerWaalsContact CE1-N 3.33Å; F154-R232 HydrophobicContact CE2-CB 3.98Å; F154-R232 HydrophobicContact CE2-CG 3.78Å; F154-R232 HydrophobicContact CG-CB 3.43Å; F154-R232 VanDerWaalsContact CG-CB 3.43Å; F154-R232 HydrophobicContact CG-CG 3.99Å; F154-R232 HydrophobicContact CZ-CB 4.42Å; N196-R232 HydrophobicContact CB-CG 4.26Å; M197-R232 WeakPolarHBondContact O-CD 3.45Å; M197-R232 PolarHBondContact O-NH1 2.95Å; I198-R232 HydrophobicContact CG2-CB 4.24Å; I198-R232 HydrophobicContact CG2-CG 3.98Å; S228-R232 PolarHBondContact O-N 3.18Å; S228-R232 VanDerWaalsContact O-N 3.16Å; Q229-R232 WeakPolarHBondContact O-CB 3.41Å; Q229-R232 PolarHBondContact O-N 3.02Å; L230-R232 PolarHBondContact O-N 3.07Å; R232-T236 VanDerWaalsContact O-CB 3.3Å; R232-T236 WeakPolarHBondContact O-CB 3.48Å; R232-T236 PolarHBondContact O-N 3Å; R232-T236 PolarHBondContact O-OG1 3.35Å
233V87.8Confident86.4Confident0 Ų018.9 Ų18.90%09%0.092CC..Hα-helixtrans-63.2-49.9174.9176.60000111.2I198 C202 Q229 L230 A231 T236 R237 K252 I321 A325I198-V233 HydrophobicContact CD1-CG2 3.8Å; I198-V233 HydrophobicContact CG2-CG2 4.19Å; C202-V233 HydrophobicContact CB-CG2 3.92Å; Q229-V233 WeakPolarHBondContact O-CG2 3.43Å; Q229-V233 PolarHBondContact O-N 2.83Å; L230-V233 WeakPolarHBondContact O-CA 3.37Å; L230-V233 VanDerWaalsContact O-CB 3.24Å; L230-V233 WeakPolarHBondContact O-CB 3.28Å; L230-V233 PolarHBondContact O-N 3.31Å; A231-V233 PolarHBondContact O-N 2.93Å; V233-T236 WeakPolarHBondContact O-CB 3.31Å; V233-T236 PolarHBondContact O-N 3.42Å; V233-R237 PolarHBondContact O-N 2.8Å; V233-K252 HydrophobicContact CG1-CD 4.33Å; V233-K252 HydrophobicContact CG2-CD 4.28Å; V233-K252 WeakPolarHBondContact O-CE 3.45Å; V233-K252 PolarHBondContact O-NZ 3.34Å; V233-I321 HydrophobicContact CG1-CB 4.38Å; V233-I321 HydrophobicContact CG1-CG1 3.85Å; V233-I321 HydrophobicContact CG1-CG2 4.48Å; V233-I321 HydrophobicContact CG2-CG1 4.31Å; V233-A325 HydrophobicContact CG1-CB 4Å
234V90.6Very high86.5Confident0 Ų023.5 Ų23.50%010%0.103CC..Hα-helixtrans-59.3-56.8-175.3170.50000111.4L230 A231 T236 R237 E238 A325 V330 Q331 L334L230-V234 HydrophobicContact CD1-CG2 3.97Å; L230-V234 HydrophobicContact CG-CG2 4.13Å; L230-V234 WeakPolarHBondContact O-CG2 3.41Å; L230-V234 PolarHBondContact O-N 3.48Å; A231-V234 PolarHBondContact O-N 3.2Å; A231-V234 VanDerWaalsContact O-N 3.12Å; V234-T236 VanDerWaalsContact C-N 3.27Å; V234-T236 PolarHBondContact O-N 2.63Å; V234-R237 WeakPolarHBondContact O-CB 3.4Å; V234-R237 PolarHBondContact O-N 3.28Å; V234-R237 VanDerWaalsContact O-N 3.09Å; V234-E238 PolarHBondContact O-N 3.47Å; V234-E238 VanDerWaalsContact O-N 3.17Å; V234-A325 HydrophobicContact CG2-CB 4.37Å; V234-V330 HydrophobicContact CG1-CG1 4.12Å; V234-V330 HydrophobicContact CG2-CG1 4.46Å; V234-Q331 VanDerWaalsContact CG1-CA 3.45Å; V234-Q331 HydrophobicContact CG1-CB 4.22Å; V234-Q331 HydrophobicContact CG1-CG 3.93Å; V234-L334 HydrophobicContact CB-CD2 3.82Å; V234-L334 HydrophobicContact CG1-CB 4.01Å; V234-L334 HydrophobicContact CG1-CD2 3.55Å; V234-L334 HydrophobicContact CG1-CG 4.44Å; V234-L334 HydrophobicContact CG2-CD2 4.44Å
235C88.8Confident85.7Confident2 Ų225.1 Ų25.11%0.01412%0.12CC..Hα-helixtrans-67.7-27.1-179.3-75.60000112.9F154 A231 R237 E238 L239 W335F154-C235 HydrophobicContact CE1-CB 3.5Å; F154-C235 VanDerWaalsContact CE1-CB 3.5Å; F154-C235 HydrophobicContact CZ-CB 3.33Å; A231-C235 PolarHBondContact O-N 3.17Å; C235-R237 VanDerWaalsContact C-N 3.3Å; C235-R237 PolarHBondContact O-N 2.77Å; C235-E238 PolarHBondContact O-N 2.81Å; C235-L239 WeakPolarHBondContact O-CB 3.26Å; C235-L239 PolarHBondContact O-N 2.76Å; C235-W335 HydrophobicContact CB-CE3 4.01Å; C235-W335 HydrophobicContact CB-CZ3 4.44Å
236T88.9Confident84.9Confident2 Ų231.1 Ų31.11%0.01215%0.147CC..Hα-helixtrans-64.1-37.7173.1-610000111.4N196 R232 V233 V234 L239 S240 T250 K252N196-T236 PolarHBondContact ND2-OG1 3.05Å; R232-T236 VanDerWaalsContact O-CB 3.3Å; R232-T236 WeakPolarHBondContact O-CB 3.48Å; R232-T236 PolarHBondContact O-N 3Å; R232-T236 PolarHBondContact O-OG1 3.35Å; V233-T236 WeakPolarHBondContact O-CB 3.31Å; V233-T236 PolarHBondContact O-N 3.42Å; V234-T236 VanDerWaalsContact C-N 3.27Å; V234-T236 PolarHBondContact O-N 2.63Å; T236-L239 PolarHBondContact O-N 3.49Å; T236-S240 WeakPolarHBondContact O-CB 3.33Å; T236-S240 PolarHBondContact O-N 3.18Å; T236-T250 VanDerWaalsContact CG2-CB 3.42Å; T236-T250 HydrophobicContact CG2-CG2 4.13Å; T236-T250 WeakPolarHBondContact CG2-OG1 3.22Å; T236-K252 HydrophobicContact CG2-CG 4.44Å
237R89.7Confident83.4Confident24 Ų2436.2 Ų36.29%0.09117%0.17CC..Hα-helixtrans-67.3-43.2176.2-75175.6171.3170-9.4111.3V233 V234 C235 L239 S240 R241 G304 A325 E326 Q331V233-R237 PolarHBondContact O-N 2.8Å; V234-R237 WeakPolarHBondContact O-CB 3.4Å; V234-R237 PolarHBondContact O-N 3.28Å; V234-R237 VanDerWaalsContact O-N 3.09Å; C235-R237 VanDerWaalsContact C-N 3.3Å; C235-R237 PolarHBondContact O-N 2.77Å; R237-L239 VanDerWaalsContact C-N 3.34Å; R237-L239 PolarHBondContact O-N 3.43Å; R237-S240 WeakPolarHBondContact O-CB 3.36Å; R237-S240 PolarHBondContact O-N 3.12Å; R237-R241 WeakPolarHBondContact O-CB 2.9Å; R237-R241 PolarHBondContact O-N 2.76Å; R237-G304 WeakPolarHBondContact CG-O 3.33Å; R237-A325 VanDerWaalsContact CD-O 3.28Å; R237-A325 WeakPolarHBondContact CD-O 3.35Å; R237-A325 PolarHBondContact NH1-O 3.28Å; R237-E326 VanDerWaalsContact CZ-CD 3.46Å; R237-E326 IonicContact CZ-OE1 3.2Å; R237-E326 IonicContact CZ-OE2 2.95Å; R237-E326 VanDerWaalsContact CZ-OE2 3.3Å; R237-E326 IonicContact NE-OE2 2.94Å; R237-E326 IonicContact NH1-OE1 2.69Å; R237-E326 PolarHBondContact NH1-OE1 3.05Å; R237-E326 IonicContact NH1-OE2 3.69Å; R237-E326 PolarHBondContact NH1-OE2 3.07Å; R237-E326 VanDerWaalsContact NH1-OE2 3.1Å; R237-E326 IonicContact NH2-OE1 3.48Å; R237-E326 PolarHBondContact NH2-OE1 2.73Å; R237-E326 IonicContact NH2-OE2 3.91Å; R237-Q331 HydrophobicContact CB-CG 4.38Å
238E91Very high81.7Confident1 Ų135.7 Ų35.71%0.00517%0.168CC..Hα-helixtrans-59.8-46175.7-176.346.2-150.200111.7V234 C235 S240 R241 Q242 Q331 W335V234-E238 PolarHBondContact O-N 3.47Å; V234-E238 VanDerWaalsContact O-N 3.17Å; C235-E238 PolarHBondContact O-N 2.81Å; E238-S240 PolarHBondContact O-N 3.02Å; E238-R241 WeakPolarHBondContact O-CB 3.36Å; E238-R241 PolarHBondContact O-N 2.75Å; E238-R241 IonicContact OE1-CZ 2.97Å; E238-R241 IonicContact OE1-NE 3.51Å; E238-R241 IonicContact OE1-NH2 2.68Å; E238-R241 PolarHBondContact OE1-NH2 3.45Å; E238-R241 IonicContact OE2-CZ 2.77Å; E238-R241 IonicContact OE2-NE 3.66Å; E238-R241 PolarHBondContact OE2-NE 3.1Å; E238-R241 IonicContact OE2-NH2 2.63Å; E238-R241 PolarHBondContact OE2-NH2 2.86Å; E238-Q242 WeakPolarHBondContact O-CG 3.33Å; E238-Q242 PolarHBondContact O-N 2.73Å; E238-Q242 WeakPolarHBondContact OE1-CG 3.23Å; E238-Q242 PolarHBondContact OE1-NE2 3.15Å; E238-Q331 HydrophobicContact CB-CB 4.17Å; E238-W335 HydrophobicContact CB-CB 4.1Å; E238-W335 HydrophobicContact CB-CD2 4.37Å; E238-W335 HydrophobicContact CB-CE3 4.1Å; E238-W335 HydrophobicContact CB-CG 4.38Å; E238-W335 HydrophobicContact CG-CB 3.35Å; E238-W335 HydrophobicContact CG-CD2 3.77Å; E238-W335 HydrophobicContact CG-CE3 4.02Å; E238-W335 HydrophobicContact CG-CG 3.47Å; E238-W335 VanDerWaalsContact CG-CG 3.47Å
239L89.9Confident80.4Confident5 Ų536.6 Ų36.63%0.02617%0.172CC..Hα-helixtrans-58.3-47.8174.3-179.255.8000112.3T179 L183 I194 C235 T236 R237 R241 Q242 L243 T250 W335T179-L239 HydrophobicContact CG2-CD2 3.45Å; T179-L239 VanDerWaalsContact CG2-CD2 3.45Å; L183-L239 HydrophobicContact CD1-CD1 4.27Å; L183-L239 HydrophobicContact CD2-CD1 4.11Å; I194-L239 HydrophobicContact CD1-CD2 4.09Å; C235-L239 WeakPolarHBondContact O-CB 3.26Å; C235-L239 PolarHBondContact O-N 2.76Å; T236-L239 PolarHBondContact O-N 3.49Å; R237-L239 VanDerWaalsContact C-N 3.34Å; R237-L239 PolarHBondContact O-N 3.43Å; L239-R241 PolarHBondContact O-N 3.34Å; L239-Q242 PolarHBondContact O-N 3.1Å; L239-L243 HydrophobicContact CD1-CD1 3.65Å; L239-L243 HydrophobicContact CD1-CG 4.02Å; L239-L243 HydrophobicContact CG-CD1 3.87Å; L239-L243 WeakPolarHBondContact O-CG 3.39Å; L239-L243 PolarHBondContact O-N 3.41Å; L239-T250 HydrophobicContact CD2-CG2 3.89Å; L239-T250 HydrophobicContact CG-CG2 4.2Å; L239-W335 HydrophobicContact CB-CE3 4.42Å; L239-W335 HydrophobicContact CB-CH2 3.99Å; L239-W335 HydrophobicContact CB-CZ3 3.64Å; L239-W335 HydrophobicContact CD1-CH2 3.7Å; L239-W335 HydrophobicContact CD1-CZ2 4.38Å; L239-W335 HydrophobicContact CD1-CZ3 4.26Å; L239-W335 HydrophobicContact CG-CH2 4.27Å; L239-W335 HydrophobicContact CG-CZ3 4.37Å
240S90.3Very high78.9Confident15 Ų1536.4 Ų36.411%0.10517%0.171CC..Hα-helixtrans-56-41.8176.9-176.10000112T236 R237 E238 L243 K244 S303 G304T236-S240 WeakPolarHBondContact O-CB 3.33Å; T236-S240 PolarHBondContact O-N 3.18Å; R237-S240 WeakPolarHBondContact O-CB 3.36Å; R237-S240 PolarHBondContact O-N 3.12Å; E238-S240 PolarHBondContact O-N 3.02Å; S240-L243 PolarHBondContact O-N 3.18Å; S240-K244 PolarHBondContact O-N 3.33Å; S240-K244 VanDerWaalsContact O-N 3.16Å; S240-S303 VanDerWaalsContact OG-C 3.23Å; S240-S303 VanDerWaalsContact OG-CB 3.3Å; S240-S303 WeakPolarHBondContact OG-CB 3.39Å; S240-S303 PolarHBondContact OG-OG 2.69Å; S240-G304 VanDerWaalsContact CB-CA 3.46Å; S240-G304 WeakPolarHBondContact OG-CA 3.4Å; S240-G304 PolarHBondContact OG-N 2.97Å; S240-G304 VanDerWaalsContact OG-N 3.15Å
241R90.3Very high77.4Confident116 Ų11636.4 Ų36.444%0.43817%0.171SC..Hα-helixtrans-67.5-44.5179.3-171.7179.765.877.8-8.1111.4R237 E238 L239 L243 K244R237-R241 WeakPolarHBondContact O-CB 2.9Å; R237-R241 PolarHBondContact O-N 2.76Å; E238-R241 WeakPolarHBondContact O-CB 3.36Å; E238-R241 PolarHBondContact O-N 2.75Å; E238-R241 IonicContact OE1-CZ 2.97Å; E238-R241 IonicContact OE1-NE 3.51Å; E238-R241 IonicContact OE1-NH2 2.68Å; E238-R241 PolarHBondContact OE1-NH2 3.45Å; E238-R241 IonicContact OE2-CZ 2.77Å; E238-R241 IonicContact OE2-NE 3.66Å; E238-R241 PolarHBondContact OE2-NE 3.1Å; E238-R241 IonicContact OE2-NH2 2.63Å; E238-R241 PolarHBondContact OE2-NH2 2.86Å; L239-R241 PolarHBondContact O-N 3.34Å; R241-L243 VanDerWaalsContact C-N 3.27Å; R241-L243 PolarHBondContact O-N 3.02Å; R241-K244 PolarHBondContact O-N 2.8Å; R241-K244 VanDerWaalsContact O-N 3.07Å
242Q89.1Confident75.8Confident82 Ų8236.4 Ų36.438%0.38317%0.171SC..Hα-helixtrans-61.6-36.4176.7-71.3-178.730.200112.3E238 L239 K244 W335E238-Q242 WeakPolarHBondContact O-CG 3.33Å; E238-Q242 PolarHBondContact O-N 2.73Å; E238-Q242 WeakPolarHBondContact OE1-CG 3.23Å; E238-Q242 PolarHBondContact OE1-NE2 3.15Å; L239-Q242 PolarHBondContact O-N 3.1Å; Q242-K244 VanDerWaalsContact C-N 3.27Å; Q242-K244 PolarHBondContact O-N 2.93Å; Q242-W335 VanDerWaalsContact NE2-CE2 3.33Å
243L87.9Confident74.1Confident25 Ų2537.5 Ų37.513%0.13118%0.175CC..THydrogen-bonded Turntrans-81.7-4.1177.4-61.7173.8000113.4L183 L239 S240 R241 G245 K246 L248L183-L243 HydrophobicContact CD2-CD1 4.14Å; L239-L243 HydrophobicContact CD1-CD1 3.65Å; L239-L243 HydrophobicContact CD1-CG 4.02Å; L239-L243 HydrophobicContact CG-CD1 3.87Å; L239-L243 WeakPolarHBondContact O-CG 3.39Å; L239-L243 PolarHBondContact O-N 3.41Å; S240-L243 PolarHBondContact O-N 3.18Å; R241-L243 VanDerWaalsContact C-N 3.27Å; R241-L243 PolarHBondContact O-N 3.02Å; L243-G245 PolarHBondContact O-N 3.25Å; L243-G245 VanDerWaalsContact O-N 3.08Å; L243-K246 PolarHBondContact O-N 3.07Å; L243-L248 HydrophobicContact CD1-CB 3.82Å; L243-L248 HydrophobicContact CD1-CD2 3.22Å; L243-L248 HydrophobicContact CD1-CG 4Å
244K81.1Confident72.3Confident176 Ų17637.8 Ų37.877%0.76518%0.177SC*.THydrogen-bonded Turntrans51.930.8176.6-57.8-178.2-180-179.30113.7S240 R241 Q242 K246S240-K244 PolarHBondContact O-N 3.33Å; S240-K244 VanDerWaalsContact O-N 3.16Å; R241-K244 PolarHBondContact O-N 2.8Å; R241-K244 VanDerWaalsContact O-N 3.07Å; Q242-K244 VanDerWaalsContact C-N 3.27Å; Q242-K244 PolarHBondContact O-N 2.93Å; K244-K246 PolarHBondContact O-N 3.39Å
245G64.4Low70.4Confident36 Ų3642.2 Ų42.237%0.37120%0.196SC..THydrogen-bonded Turntrans65.12.9-17500000115.2L243L243-G245 PolarHBondContact O-N 3.25Å; L243-G245 VanDerWaalsContact O-N 3.08Å
246K56.6Low68.1Low144 Ų14450.5 Ų50.563%0.62623%0.227SC*.SBendtrans-83.9128.1179.4-65.2-169.4176.4-172.70109.8L243 K244 L248L243-K246 PolarHBondContact O-N 3.07Å; K244-K246 PolarHBondContact O-N 3.39Å; K246-L248 PolarHBondContact O-N 3.31Å
247H51Low65.6Low112 Ų11252.3 Ų52.352%0.51924%0.238SC..SBendtrans66.5-15.4167.5-52.8-67.6000117.7A190 S192A190-H247 HydrophobicContact CB-CB 3.82Å; S192-H247 PolarHBondContact N-O 3.18Å; S192-H247 PolarHBondContact OG-O 2.94Å; S192-H247 VanDerWaalsContact OG-O 3.1Å
248L52.1Low62.7Low1 Ų153.8 Ų53.81%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-140121.1-175.7-167124.2000112.9L186 S192 I194 L243 K246 T250 S303L186-L248 HydrophobicContact CB-CD1 3.53Å; L186-L248 HydrophobicContact CD1-CD1 3.93Å; L186-L248 HydrophobicContact CD2-CD1 4.18Å; L186-L248 HydrophobicContact CG-CD1 4.09Å; S192-L248 WeakPolarHBondContact O-CA 3.25Å; I194-L248 HydrophobicContact CB-CD2 4.37Å; I194-L248 HydrophobicContact CD1-CD1 3.77Å; I194-L248 HydrophobicContact CD1-CD2 3.36Å; I194-L248 HydrophobicContact CD1-CG 4.06Å; I194-L248 HydrophobicContact CG1-CD1 3.78Å; I194-L248 HydrophobicContact CG1-CD2 3.63Å; I194-L248 HydrophobicContact CG1-CG 3.96Å; L243-L248 HydrophobicContact CD1-CB 3.82Å; L243-L248 HydrophobicContact CD1-CD2 3.22Å; L243-L248 HydrophobicContact CD1-CG 4Å; K246-L248 PolarHBondContact O-N 3.31Å; L248-T250 HydrophobicContact CD2-CG2 3.73Å; L248-S303 PolarHBondContact O-OG 2.95Å
249H55.3Low59.6Low19 Ų1961.1 Ų61.19%0.08830%0.299CS..EExtended strand (participates in β ladder)trans-106.5122.9179.7-59.3-89.1000110.6S192 R193 I194 Y251 G300 V302 S303S192-H249 PolarHBondContact O-N 3.16Å; R193-H249 WeakPolarHBondContact CA-O 3.42Å; R193-H249 HydrophobicContact CG-CB 4.23Å; I194-H249 PolarHBondContact N-O 3.47Å; H249-Y251 HydrophobicContact CB-CD2 4.09Å; H249-Y251 HydrophobicContact CB-CE1 4.1Å; H249-Y251 HydrophobicContact CB-CE2 3.16Å; H249-Y251 WeakPolarHBondContact CB-OH 3.25Å; H249-Y251 AromaticContact CG-CZ 3.97Å; H249-Y251 VanDerWaalsContact CG-OH 3.31Å; H249-Y251 WeakPolarHBondContact O-CD2 3.42Å; H249-Y251 WeakPolarHBondContact O-CE2 3.46Å; H249-G300 PolarHBondContact CD2-O 2.9Å; H249-G300 PolarHBondContact CE1-O 3.28Å; H249-G300 PolarHBondContact ND1-O 3.03Å; H249-G300 PolarHBondContact NE2-O 3.22Å; H249-V302 WeakPolarHBondContact CB-O 3.42Å; H249-V302 PolarHBondContact ND1-O 3.22Å; H249-S303 WeakPolarHBondContact CA-OG 3.38Å
250T51.3Low56.6Low0 Ų063.2 Ų63.20%032%0.322CS..EExtended strand (participates in β ladder)trans-100.4126.1176.356.70000110.4I194 T236 L239 L248 S303 G304I194-T250 HydrophobicContact CB-CG2 4.15Å; I194-T250 HydrophobicContact CD1-CG2 4.47Å; I194-T250 CarbonylContact O-C 3.54Å; I194-T250 VanDerWaalsContact O-CA 3.27Å; I194-T250 WeakPolarHBondContact O-CA 3.46Å; T236-T250 VanDerWaalsContact CG2-CB 3.42Å; T236-T250 HydrophobicContact CG2-CG2 4.13Å; T236-T250 WeakPolarHBondContact CG2-OG1 3.22Å; L239-T250 HydrophobicContact CD2-CG2 3.89Å; L239-T250 HydrophobicContact CG-CG2 4.2Å; L248-T250 HydrophobicContact CD2-CG2 3.73Å; T250-S303 PolarHBondContact N-OG 2.94Å; T250-S303 VanDerWaalsContact N-OG 3.1Å; T250-G304 PolarHBondContact O-N 3.48Å; T250-G304 WeakPolarHBondContact OG1-CA 3.37Å; T250-G304 PolarHBondContact OG1-N 3.09Å; T250-G304 VanDerWaalsContact OG1-N 3.1Å
251Y54.7Low53.9Low0 Ų073.8 Ų73.80%036%0.36CS..EExtended strand (participates in β ladder)trans-134.1158.3-177-46-94000113.1R193 I194 V195 N196 H249 L293 F299 V302 F307R193-Y251 HydrophobicContact CB-CE2 4.08Å; R193-Y251 HydrophobicContact CG-CE2 4Å; I194-Y251 PolarHBondContact O-N 3.08Å; V195-Y251 CarbonylContact C-O 3.49Å; V195-Y251 WeakPolarHBondContact CA-O 3.37Å; V195-Y251 HydrophobicContact CG2-CD2 4.2Å; N196-Y251 PolarHBondContact N-O 3.46Å; H249-Y251 HydrophobicContact CB-CD2 4.09Å; H249-Y251 HydrophobicContact CB-CE1 4.1Å; H249-Y251 HydrophobicContact CB-CE2 3.16Å; H249-Y251 WeakPolarHBondContact CB-OH 3.25Å; H249-Y251 AromaticContact CG-CZ 3.97Å; H249-Y251 VanDerWaalsContact CG-OH 3.31Å; H249-Y251 WeakPolarHBondContact O-CD2 3.42Å; H249-Y251 WeakPolarHBondContact O-CE2 3.46Å; Y251-L293 HydrophobicContact CD1-CD1 3.27Å; Y251-L293 HydrophobicContact CD1-CG 3.81Å; Y251-L293 HydrophobicContact CD2-CD1 4.41Å; Y251-L293 HydrophobicContact CD2-CG 4.11Å; Y251-L293 HydrophobicContact CE1-CD1 3.88Å; Y251-L293 HydrophobicContact CG-CD1 3.57Å; Y251-L293 HydrophobicContact CG-CD2 4.11Å; Y251-L293 HydrophobicContact CG-CG 3.51Å; Y251-F299 HydrophobicContact CE1-CB 3.7Å; Y251-F299 WeakPolarHBondContact CE1-O 3.48Å; Y251-F299 VanDerWaalsContact OH-C 3.28Å; Y251-F299 PolarHBondContact OH-O 3.27Å; Y251-V302 HydrophobicContact CE1-CB 4.21Å; Y251-V302 WeakPolarHBondContact CE1-O 3.21Å; Y251-V302 PolarHBondContact OH-O 2.69Å; Y251-F307 HydrophobicContact CD1-CD2 4.38Å; Y251-F307 AromaticContact CD1-CE2 3.86Å; Y251-F307 HydrophobicContact CD1-CE2 3.86Å
252K55.1Low51Low0 Ų075.8 Ų75.80%037%0.374CS..EExtended strand (participates in β ladder)trans-132.6136.4-175.7-55.1151-176.61720111.4N196 I198 V233 T236 G304 T306 F307N196-K252 VanDerWaalsContact O-CA 3.31Å; N196-K252 WeakPolarHBondContact O-CA 3.18Å; I198-K252 HydrophobicContact CD1-CB 3.73Å; I198-K252 HydrophobicContact CD1-CD 4.37Å; I198-K252 HydrophobicContact CD1-CG 4.38Å; I198-K252 HydrophobicContact CG1-CB 4.02Å; I198-K252 HydrophobicContact CG2-CB 4.5Å; V233-K252 HydrophobicContact CG1-CD 4.33Å; V233-K252 HydrophobicContact CG2-CD 4.28Å; V233-K252 WeakPolarHBondContact O-CE 3.45Å; V233-K252 PolarHBondContact O-NZ 3.34Å; T236-K252 HydrophobicContact CG2-CG 4.44Å; K252-G304 PolarHBondContact NZ-O 2.78Å; K252-T306 HydrophobicContact CB-CG2 3.94Å; K252-T306 HydrophobicContact CD-CG2 4Å; K252-T306 WeakPolarHBondContact CD-OG1 3.44Å; K252-F307 CarbonylContact O-C 3.46Å; K252-F307 WeakPolarHBondContact O-CA 3.49Å; K252-F307 WeakPolarHBondContact O-CB 3.07Å; K252-F307 PolarHBondContact O-N 2.99Å
253Y51Low48.6Very low27 Ų2774.6 Ų74.611%0.10637%0.372CS..EExtended strand (participates in β ladder)trans-112.8122.1172.2173.4-94000110.2M197 I198 K255 A286 A289 F307 L316M197-Y253 HydrophobicContact CE-CD1 3.48Å; M197-Y253 VanDerWaalsContact CE-CD1 3.48Å; M197-Y253 HydrophobicContact CE-CE1 4.28Å; M197-Y253 HydrophobicContact CE-CG 4.12Å; I198-Y253 CarbonylContact C-O 3.59Å; I198-Y253 VanDerWaalsContact CG1-O 3.32Å; I198-Y253 WeakPolarHBondContact CG1-O 3.3Å; I198-Y253 PolarHBondContact N-O 3Å; Y253-K255 HydrophobicContact CE1-CB 4.34Å; Y253-A286 HydrophobicContact CE1-CB 4.15Å; Y253-A289 HydrophobicContact CD2-CB 3.83Å; Y253-A289 HydrophobicContact CE2-CB 3.45Å; Y253-A289 VanDerWaalsContact CE2-CB 3.45Å; Y253-F307 WeakPolarHBondContact CA-O 3.25Å; Y253-L316 HydrophobicContact CD2-CD2 4.09Å; Y253-L316 HydrophobicContact CE2-CD2 4.47Å
254V49.9Very low46.2Very low6 Ų681.9 Ų81.94%0.03640%0.403CS..EExtended strand (participates in β ladder)trans-84.2112175.8179.70000111.5I198 I200 T306 F307 R308 T319I198-V254 HydrophobicContact CD1-CG2 3.6Å; I198-V254 HydrophobicContact CG1-CG2 3.9Å; I200-V254 VanDerWaalsContact CA-CG1 3.49Å; I200-V254 HydrophobicContact CB-CG1 3.57Å; I200-V254 HydrophobicContact CG1-CG1 4.14Å; V254-T306 HydrophobicContact CG2-CG2 4.02Å; V254-F307 PolarHBondContact N-O 2.95Å; V254-R308 HydrophobicContact CB-CB 4.32Å; V254-T319 HydrophobicContact CG2-CG2 4.15Å
255K49.3Very low44.5Very low93 Ų9376.2 Ų76.240%0.40439%0.385SS..EExtended strand (participates in β ladder)trans-79.1135166.6-168.8-179177.5-177.50110.2I57 I198 I200 Y253 T257I57-K255 HydrophobicContact CD1-CD 4.19Å; I198-K255 PolarHBondContact O-N 2.95Å; I200-K255 PolarHBondContact N-O 3.28Å; I200-K255 VanDerWaalsContact N-O 3.11Å; Y253-K255 HydrophobicContact CE1-CB 4.34Å; K255-T257 HydrophobicContact CD-CG2 4.03Å; K255-T257 HydrophobicContact CG-CG2 4.48Å; K255-T257 PolarHBondContact O-N 3.43Å
256R41Very low44.1Very low176 Ų17683.1 Ų83.166%0.66441%0.405SS*.  trans-86.996.5155.6-164.4172.3-177165.5-0106.4G258R256-G258 PolarHBondContact O-N 3.08Å; R256-G258 VanDerWaalsContact O-N 3.13Å
257T36.1Very low44Very low40 Ų4083.7 Ų83.725%0.24541%0.408CS..  trans-57.5120.6161.141.30000106.5M135 D199 K255 I259M135-T257 HydrophobicContact CE-CG2 3.83Å; D199-T257 VanDerWaalsContact OD1-CG2 3.22Å; D199-T257 WeakPolarHBondContact OD1-CG2 3.44Å; D199-T257 PolarHBondContact OD1-N 2.8Å; D199-T257 PolarHBondContact OD1-OG1 2.87Å; K255-T257 HydrophobicContact CD-CG2 4.03Å; K255-T257 HydrophobicContact CG-CG2 4.48Å; K255-T257 PolarHBondContact O-N 3.43Å; T257-I259 PolarHBondContact O-N 3.48Å
258G29.3Very low44.1Very low56 Ų5681.2 Ų81.258%0.57740%0.401SS*.  trans-59108.6-177.100000109.1R256 G260 R261R256-G258 PolarHBondContact O-N 3.08Å; R256-G258 VanDerWaalsContact O-N 3.13Å; G258-G260 PolarHBondContact O-N 3.09Å; G258-R261 PolarHBondContact O-N 3Å
259I25.7Very low44.2Very low154 Ų15486.7 Ų86.779%0.7942%0.424SS*.THydrogen-bonded Turntrans-56.52.8162.9-68.9170.6000111.4T257T257-I259 PolarHBondContact O-N 3.48Å
260G27.2Very low44.6Very low49 Ų4990.8 Ų90.851%0.50545%0.45SS..THydrogen-bonded Turntrans-103.321.7178.300000116.4G258 Q262 V263G258-G260 PolarHBondContact O-N 3.09Å; G260-Q262 PolarHBondContact O-N 3.21Å; G260-V263 PolarHBondContact O-N 3.3Å
261R33.7Very low44.9Very low238 Ų23892.6 Ų92.690%0.89846%0.461SS*.THydrogen-bonded Turntrans-67-11.9169.6-83.4-163.8-164.3-178.97.2113.5G258G258-R261 PolarHBondContact O-N 3Å
262Q30.3Very low44.7Very low157 Ų15794.8 Ų94.873%0.73448%0.475SS*.THydrogen-bonded Turntrans-100.855169.4-68.6-162.1-8.200112.6G260 K264G260-Q262 PolarHBondContact O-N 3.21Å; Q262-K264 VanDerWaalsContact C-N 3.28Å; Q262-K264 PolarHBondContact O-N 3.48Å
263V38.8Very low44.6Very low58 Ų58102 Ų10235%0.35250%0.502SS..  trans-70.196.9152.6178.30000106.5G260 S265 V268 K269G260-V263 PolarHBondContact O-N 3.3Å; V263-S265 PolarHBondContact O-N 3.17Å; V263-V268 HydrophobicContact CG1-CB 3.6Å; V263-V268 HydrophobicContact CG1-CG1 3.66Å; V263-V268 HydrophobicContact CG1-CG2 4.31Å; V263-K269 VanDerWaalsContact O-CE 3.27Å; V263-K269 WeakPolarHBondContact O-CE 3.29Å
264K37Very low44.6Very low178 Ų178102.7 Ų102.777%0.77451%0.51SS*.  trans-68.1-24.4179.7-68.4-175.3-179.8179.30112.3Q262 K266Q262-K264 VanDerWaalsContact C-N 3.28Å; Q262-K264 PolarHBondContact O-N 3.48Å; K264-K266 PolarHBondContact O-N 3.24Å
265S44.3Very low44.6Very low57 Ų57103.7 Ų103.740%0.39952%0.519SS..  trans-70.4117.7-179.1178.30000112.2V263 F267 V268 K269V263-S265 PolarHBondContact O-N 3.17Å; S265-F267 PolarHBondContact O-N 2.99Å; S265-F267 PolarHBondContact OG-N 3.45Å; S265-V268 PolarHBondContact O-N 3.39Å; S265-K269 PolarHBondContact O-N 3.02Å
266K56.2Low44.5Very low181 Ų181106.9 Ų106.979%0.78753%0.532SS*.Hα-helixtrans-57.9-36.8172.8-69.1-177.2-179177.70111.6K264 K269 V270K264-K266 PolarHBondContact O-N 3.24Å; K266-K269 WeakPolarHBondContact O-CB 3.47Å; K266-K269 PolarHBondContact O-N 3.4Å; K266-V270 WeakPolarHBondContact O-CG2 3.49Å; K266-V270 PolarHBondContact O-N 3.46Å
267F54.1Low44.4Very low156 Ų156105.9 Ų105.968%0.68453%0.533SS*.Hα-helixtrans-61.5-49.2-179.2-175.7-101.5000112.1S265 K269 V270 V271S265-F267 PolarHBondContact O-N 2.99Å; S265-F267 PolarHBondContact OG-N 3.45Å; F267-K269 VanDerWaalsContact C-N 3.27Å; F267-K269 PolarHBondContact O-N 3.47Å; F267-V270 PolarHBondContact O-N 3.5Å; F267-V271 HydrophobicContact CD1-CG2 4.2Å; F267-V271 HydrophobicContact CE1-CG2 3.88Å; F267-V271 HydrophobicContact CE2-CG2 4.22Å; F267-V271 HydrophobicContact CZ-CG2 3.89Å; F267-V271 WeakPolarHBondContact O-CG2 3.35Å; F267-V271 PolarHBondContact O-N 2.89Å
268V54.1Low44.7Very low60 Ų60110.2 Ų110.236%0.36455%0.553SS.*Hα-helixtrans-64.5-32.7178.2-179.90000111.5V263 S265 T272V263-V268 HydrophobicContact CG1-CB 3.6Å; V263-V268 HydrophobicContact CG1-CG1 3.66Å; V263-V268 HydrophobicContact CG1-CG2 4.31Å; S265-V268 PolarHBondContact O-N 3.39Å; V268-T272 HydrophobicContact CG1-CG2 4.01Å; V268-T272 VanDerWaalsContact O-CB 3.31Å; V268-T272 WeakPolarHBondContact O-CB 2.77Å; V268-T272 VanDerWaalsContact O-CG2 3.27Å; V268-T272 WeakPolarHBondContact O-CG2 3.39Å; V268-T272 PolarHBondContact O-N 3.14Å; V268-T272 PolarHBondContact O-OG1 2.94Å
269K53.6Low45.2Very low116 Ų116110.3 Ų110.350%0.50455%0.554SS.*Hα-helixtrans-63.9-47.2173.8-75.1-177.9-179.1174.10111.6V263 S265 K266 F267 W273V263-K269 VanDerWaalsContact O-CE 3.27Å; V263-K269 WeakPolarHBondContact O-CE 3.29Å; S265-K269 PolarHBondContact O-N 3.02Å; K266-K269 WeakPolarHBondContact O-CB 3.47Å; K266-K269 PolarHBondContact O-N 3.4Å; F267-K269 VanDerWaalsContact C-N 3.27Å; F267-K269 PolarHBondContact O-N 3.47Å; K269-W273 VanDerWaalsContact O-CB 3.22Å; K269-W273 WeakPolarHBondContact O-CB 3.38Å; K269-W273 PolarHBondContact O-N 2.95Å
270V64.3Low45.8Very low104 Ų104104.5 Ų104.563%0.6352%0.524SS*.Hα-helixtrans-63-48.1178.9173.60000110.5K266 F267 T272 W273 P274K266-V270 WeakPolarHBondContact O-CG2 3.49Å; K266-V270 PolarHBondContact O-N 3.46Å; F267-V270 PolarHBondContact O-N 3.5Å; V270-T272 PolarHBondContact O-N 3.21Å; V270-W273 PolarHBondContact O-N 3.12Å; V270-P274 VanDerWaalsContact O-CD 3.3Å; V270-P274 WeakPolarHBondContact O-CD 3.15Å
271V57.1Low47Very low39 Ų39107.3 Ų107.324%0.23652%0.524CS..Hα-helixtrans-65.4-40.1-178.3175.50000111.9L23 F267 P274L23-V271 HydrophobicContact CD2-CG1 4.18Å; L23-V271 WeakPolarHBondContact CD2-O 3.23Å; L23-V271 HydrophobicContact CG-CG1 4.45Å; F267-V271 HydrophobicContact CD1-CG2 4.2Å; F267-V271 HydrophobicContact CE1-CG2 3.88Å; F267-V271 HydrophobicContact CE2-CG2 4.22Å; F267-V271 HydrophobicContact CZ-CG2 3.89Å; F267-V271 WeakPolarHBondContact O-CG2 3.35Å; F267-V271 PolarHBondContact O-N 2.89Å; V271-P274 WeakPolarHBondContact O-CD 3.49Å
272T51.3Low48.7Very low45 Ų4599 Ų9928%0.27651%0.507SS..Hα-helixtrans-84.8-10-179.462.20000114.4V268 V270 A275 K276V268-T272 HydrophobicContact CG1-CG2 4.01Å; V268-T272 VanDerWaalsContact O-CB 3.31Å; V268-T272 WeakPolarHBondContact O-CB 2.77Å; V268-T272 VanDerWaalsContact O-CG2 3.27Å; V268-T272 WeakPolarHBondContact O-CG2 3.39Å; V268-T272 PolarHBondContact O-N 3.14Å; V268-T272 PolarHBondContact O-OG1 2.94Å; V270-T272 PolarHBondContact O-N 3.21Å; T272-A275 PolarHBondContact O-N 3.17Å; T272-K276 PolarHBondContact O-N 3.14Å
273W52.9Low50.9Low153 Ų15393.3 Ų93.358%0.5848%0.483SS*.Hα-helixtrans-61.1-44.5-177.4179.990.1000113.2K269 V270 K276 K277K269-W273 VanDerWaalsContact O-CB 3.22Å; K269-W273 WeakPolarHBondContact O-CB 3.38Å; K269-W273 PolarHBondContact O-N 2.95Å; V270-W273 PolarHBondContact O-N 3.12Å; W273-K276 PolarHBondContact O-N 2.85Å; W273-K277 HydrophobicContact CH2-CD 4.06Å; W273-K277 HydrophobicContact CZ2-CD 3.98Å; W273-K277 PolarHBondContact O-N 3.2Å
274P51.1Low52.9Low41 Ų4192 Ų9227%0.26647%0.474SS..Hα-helixtrans-60.7-46.1174.2-21.932.9000112.2V270 V271 K276 K277 I278V270-P274 VanDerWaalsContact O-CD 3.3Å; V270-P274 WeakPolarHBondContact O-CD 3.15Å; V271-P274 WeakPolarHBondContact O-CD 3.49Å; P274-K276 PolarHBondContact O-N 3.22Å; P274-K277 CarbonylContact O-C 3.6Å; P274-K277 WeakPolarHBondContact O-CA 3.11Å; P274-K277 PolarHBondContact O-N 3.1Å; P274-I278 HydrophobicContact CB-CD1 3.97Å; P274-I278 WeakPolarHBondContact O-CB 2.8Å; P274-I278 VanDerWaalsContact O-CG1 3.27Å; P274-I278 WeakPolarHBondContact O-CG1 2.67Å; P274-I278 PolarHBondContact O-N 3.3Å
275A48.9Very low55Low27 Ų2784.9 Ų84.922%0.22344%0.443CS..Hα-helixtrans-64.8-23.2178.300000113.7L23 V27 T272L23-A275 HydrophobicContact CD2-CB 4Å; V27-A275 HydrophobicContact CG2-CB 4.17Å; T272-A275 PolarHBondContact O-N 3.17Å
276K47.1Very low56.8Low159 Ų15982.5 Ų82.569%0.69143%0.427SS*.Hα-helixtrans-76.1-30170.2-76.5175.1-179.5165.60112.8T272 W273 P274T272-K276 PolarHBondContact O-N 3.14Å; W273-K276 PolarHBondContact O-N 2.85Å; P274-K276 PolarHBondContact O-N 3.22Å
277K40.3Very low58.4Low155 Ų15573.9 Ų73.967%0.67439%0.39SS*.Hα-helixtrans-85.5-38.9177.3-101.5-160.5170.9-170.90113.1W273 P274 G279W273-K277 HydrophobicContact CH2-CD 4.06Å; W273-K277 HydrophobicContact CZ2-CD 3.98Å; W273-K277 PolarHBondContact O-N 3.2Å; P274-K277 CarbonylContact O-C 3.6Å; P274-K277 WeakPolarHBondContact O-CA 3.11Å; P274-K277 PolarHBondContact O-N 3.1Å; K277-G279 VanDerWaalsContact C-N 3.29Å; K277-G279 PolarHBondContact O-N 3.42Å; K277-G279 VanDerWaalsContact O-N 3.07Å
278I40.7Very low60.1Low132 Ų13267.3 Ų67.368%0.67736%0.362SS*.SBendtrans-88.654.1-170-54.4166.2000111.1P274P274-I278 HydrophobicContact CB-CD1 3.97Å; P274-I278 WeakPolarHBondContact O-CB 2.8Å; P274-I278 VanDerWaalsContact O-CG1 3.27Å; P274-I278 WeakPolarHBondContact O-CG1 2.67Å; P274-I278 PolarHBondContact O-N 3.3Å
279G40.3Very low61.7Low57 Ų5764.5 Ų64.559%0.58834%0.344SS*.SBendtrans100.710142.700000122K277K277-G279 VanDerWaalsContact C-N 3.29Å; K277-G279 PolarHBondContact O-N 3.42Å; K277-G279 VanDerWaalsContact O-N 3.07Å
280L39.5Very low63.5Low33 Ų3359 Ų5917%0.17332%0.32CS..  trans-127.676.4171.6-76.2141.1000112V27 K30 E31 A282V27-L280 HydrophobicContact CG1-CD1 3.53Å; K30-L280 WeakPolarHBondContact CE-O 3.36Å; K30-L280 PolarHBondContact NZ-O 3.39Å; E31-L280 HydrophobicContact CG-CD1 3.5Å; E31-L280 VanDerWaalsContact CG-CD1 3.5Å; E31-L280 HydrophobicContact CG-CD2 3.35Å; E31-L280 HydrophobicContact CG-CG 3.99Å; E31-L280 VanDerWaalsContact OE1-CD1 3.28Å; E31-L280 WeakPolarHBondContact OE1-CD1 2.88Å; E31-L280 VanDerWaalsContact OE1-CD2 3.28Å; E31-L280 WeakPolarHBondContact OE1-CD2 3.28Å; L280-A282 PolarHBondContact O-N 3.36Å
281Q52.4Low64.8Low108 Ų10854.1 Ų54.151%0.50529%0.291SS..  trans-63.8121.4-176.8-40.9-173.30.100108.8P283 D284 K285Q281-P283 HydrophobicContact CB-CB 4.48Å; Q281-P283 HydrophobicContact CB-CG 4.43Å; Q281-P283 VanDerWaalsContact O-N 3.16Å; Q281-D284 HydrophobicContact CB-CB 4.49Å; Q281-D284 VanDerWaalsContact CB-OD2 3.24Å; Q281-D284 WeakPolarHBondContact CB-OD2 3.46Å; Q281-D284 VanDerWaalsContact CG-OD2 3.27Å; Q281-D284 WeakPolarHBondContact CG-OD2 3.21Å; Q281-D284 PolarHBondContact O-N 3.02Å; Q281-D284 PolarHBondContact OE1-OD2 3.29Å; Q281-K285 PolarHBondContact O-N 2.84Å
282A68.2Low66.4Low64 Ų6452.8 Ų52.853%0.52928%0.282SS..Hα-helixtrans-51.6-31.7170.100000113L280 A286L280-A282 PolarHBondContact O-N 3.36Å; A282-A286 WeakPolarHBondContact O-CB 3.47Å; A282-A286 PolarHBondContact O-N 2.73Å; A282-A286 VanDerWaalsContact O-N 3.1Å
283P77.2Confident68.3Low37 Ų3750.6 Ų50.624%0.2427%0.269CS..Hα-helixtrans-55.8-47.7167.7-3237.5000116.3A60 Q281 K285 A286 A287A60-P283 HydrophobicContact CB-CB 4.17Å; Q281-P283 HydrophobicContact CB-CB 4.48Å; Q281-P283 HydrophobicContact CB-CG 4.43Å; Q281-P283 VanDerWaalsContact O-N 3.16Å; P283-K285 VanDerWaalsContact C-N 3.31Å; P283-K285 PolarHBondContact O-N 3.48Å; P283-A286 PolarHBondContact O-N 3.47Å; P283-A287 WeakPolarHBondContact O-CB 3.36Å; P283-A287 PolarHBondContact O-N 3.49Å
284D81Confident70.1Confident30 Ų3043.4 Ų43.416%0.1624%0.242CC..Hα-helixtrans-61.9-41.9-177.9-73.1-54.5000111.8R63 Q281 A287 N288R63-D284 IonicContact CZ-OD1 3.45Å; R63-D284 VanDerWaalsContact CZ-OD1 3.22Å; R63-D284 IonicContact NH1-OD1 3.53Å; R63-D284 PolarHBondContact NH1-OD1 2.85Å; R63-D284 IonicContact NH2-OD1 3.3Å; R63-D284 PolarHBondContact NH2-OD1 3.18Å; R63-D284 IonicContact NH2-OD2 3.76Å; Q281-D284 HydrophobicContact CB-CB 4.49Å; Q281-D284 VanDerWaalsContact CB-OD2 3.24Å; Q281-D284 WeakPolarHBondContact CB-OD2 3.46Å; Q281-D284 VanDerWaalsContact CG-OD2 3.27Å; Q281-D284 WeakPolarHBondContact CG-OD2 3.21Å; Q281-D284 PolarHBondContact O-N 3.02Å; Q281-D284 PolarHBondContact OE1-OD2 3.29Å; D284-A287 WeakPolarHBondContact O-CB 3.39Å; D284-A287 PolarHBondContact O-N 3.5Å; D284-N288 PolarHBondContact O-N 2.87Å; D284-N288 PolarHBondContact O-OD1 3.38Å
285K81.3Confident72.1Confident28 Ų2842.5 Ų42.512%0.12224%0.236CC..Hα-helixtrans-68.3-39.3179.1-69168.4158.4-162.50112.1K30 S34 Q281 P283 A287 N288 A289K30-K285 VanDerWaalsContact C-NZ 3.25Å; K30-K285 PolarHBondContact O-NZ 2.8Å; S34-K285 WeakPolarHBondContact OG-CD 3.4Å; S34-K285 WeakPolarHBondContact OG-CE 3.3Å; S34-K285 PolarHBondContact OG-NZ 3.22Å; Q281-K285 PolarHBondContact O-N 2.84Å; P283-K285 VanDerWaalsContact C-N 3.31Å; P283-K285 PolarHBondContact O-N 3.48Å; K285-A287 VanDerWaalsContact C-N 3.33Å; K285-N288 PolarHBondContact O-N 2.89Å; K285-A289 PolarHBondContact O-N 2.77Å
286A82Confident74.1Confident7 Ų741.9 Ų41.96%0.05823%0.23CC..Hα-helixtrans-68.1-35.8172.600000111.4I57 Y253 A282 P283 N288 A289 V290I57-A286 HydrophobicContact CD1-CB 3.7Å; I57-A286 HydrophobicContact CG1-CB 3.85Å; I57-A286 HydrophobicContact CG2-CB 4.18Å; Y253-A286 HydrophobicContact CE1-CB 4.15Å; A282-A286 WeakPolarHBondContact O-CB 3.47Å; A282-A286 PolarHBondContact O-N 2.73Å; A282-A286 VanDerWaalsContact O-N 3.1Å; P283-A286 PolarHBondContact O-N 3.47Å; A286-N288 VanDerWaalsContact C-N 3.34Å; A286-N288 PolarHBondContact O-N 3.29Å; A286-A289 WeakPolarHBondContact O-CB 3.32Å; A286-A289 PolarHBondContact O-N 3.15Å; A286-V290 WeakPolarHBondContact O-CG2 3.26Å; A286-V290 PolarHBondContact O-N 2.68Å
287A88.7Confident76.1Confident0 Ų039.6 Ų39.60%023%0.231CC..Hα-helixtrans-63.9-38.317500000111.9A60 T61 K64 P283 D284 K285 A289 V290 L291A60-A287 HydrophobicContact CB-CB 3.68Å; T61-A287 WeakPolarHBondContact OG1-CB 3.4Å; K64-A287 HydrophobicContact CD-CB 4Å; P283-A287 WeakPolarHBondContact O-CB 3.36Å; P283-A287 PolarHBondContact O-N 3.49Å; D284-A287 WeakPolarHBondContact O-CB 3.39Å; D284-A287 PolarHBondContact O-N 3.5Å; K285-A287 VanDerWaalsContact C-N 3.33Å; A287-A289 VanDerWaalsContact C-N 3.31Å; A287-A289 PolarHBondContact O-N 2.95Å; A287-V290 WeakPolarHBondContact O-CB 3.03Å; A287-V290 PolarHBondContact O-N 3.03Å; A287-V290 VanDerWaalsContact O-N 3.14Å; A287-L291 WeakPolarHBondContact O-CG 3.47Å; A287-L291 PolarHBondContact O-N 3.23Å
288N89.9Confident78.4Confident19 Ų1937.8 Ų37.810%0.10223%0.225CC..Hα-helixtrans-57.4-44.6172.1-70.6-7.6000111.7C35 Y37 K64 D284 K285 A286 V290 L291 L292C35-N288 HydrophobicContact CB-CB 4.02Å; C35-N288 WeakPolarHBondContact O-CB 3.27Å; C35-N288 PolarHBondContact O-ND2 2.95Å; Y37-N288 WeakPolarHBondContact O-CB 3.34Å; Y37-N288 PolarHBondContact O-OD1 3.07Å; K64-N288 WeakPolarHBondContact CD-OD1 3.24Å; K64-N288 WeakPolarHBondContact CE-OD1 3.33Å; K64-N288 PolarHBondContact NZ-OD1 2.89Å; D284-N288 PolarHBondContact O-N 2.87Å; D284-N288 PolarHBondContact O-OD1 3.38Å; K285-N288 PolarHBondContact O-N 2.89Å; A286-N288 VanDerWaalsContact C-N 3.34Å; A286-N288 PolarHBondContact O-N 3.29Å; N288-V290 VanDerWaalsContact C-N 3.34Å; N288-V290 PolarHBondContact O-N 3.43Å; N288-L291 PolarHBondContact O-N 3.44Å; N288-L292 WeakPolarHBondContact O-CB 3.35Å; N288-L292 PolarHBondContact O-N 2.91Å
289A88.4Confident80.6Confident0 Ų032 Ų320%020%0.195CC..Hα-helixtrans-65.3-37.2176.300000112.3C35 Y253 K285 A286 A287 L291 L293 L316C35-A289 HydrophobicContact CB-CB 4.29Å; Y253-A289 HydrophobicContact CD2-CB 3.83Å; Y253-A289 HydrophobicContact CE2-CB 3.45Å; Y253-A289 VanDerWaalsContact CE2-CB 3.45Å; K285-A289 PolarHBondContact O-N 2.77Å; A286-A289 WeakPolarHBondContact O-CB 3.32Å; A286-A289 PolarHBondContact O-N 3.15Å; A287-A289 VanDerWaalsContact C-N 3.31Å; A287-A289 PolarHBondContact O-N 2.95Å; A289-L291 VanDerWaalsContact C-N 3.33Å; A289-L293 PolarHBondContact O-N 2.8Å; A289-L316 HydrophobicContact CB-CD2 4.17Å
290V89.9Confident82.7Confident0 Ų029.9 Ų29.90%017%0.174CC..Hα-helixtrans-62.1-41.9172.6172.70000111.1I57 T61 I129 V195 M197 A286 A287 N288 L293 A294I57-V290 HydrophobicContact CG2-CG2 4.18Å; T61-V290 HydrophobicContact CG2-CG1 3.91Å; I129-V290 HydrophobicContact CD1-CG1 4.44Å; I129-V290 HydrophobicContact CG2-CG1 4.1Å; V195-V290 HydrophobicContact CG1-CG1 4.32Å; M197-V290 HydrophobicContact CE-CG2 3.61Å; M197-V290 HydrophobicContact SD-CG2 3.47Å; M197-V290 WeakPolarHBondContact SD-CG2 3.23Å; A286-V290 WeakPolarHBondContact O-CG2 3.26Å; A286-V290 PolarHBondContact O-N 2.68Å; A287-V290 WeakPolarHBondContact O-CB 3.03Å; A287-V290 PolarHBondContact O-N 3.03Å; A287-V290 VanDerWaalsContact O-N 3.14Å; N288-V290 VanDerWaalsContact C-N 3.34Å; N288-V290 PolarHBondContact O-N 3.43Å; V290-L293 PolarHBondContact O-N 3.28Å; V290-A294 WeakPolarHBondContact O-CB 3.41Å; V290-A294 PolarHBondContact O-N 2.93Å
291L92.6Very high84.9Confident3 Ų335.9 Ų35.92%0.01621%0.206CC..Hα-helixtrans-73.9-34.9180-66.5179000113.4Y37 V39 T61 K64 L65 A287 N288 A289 L293 A294 V295Y37-L291 HydrophobicContact CD1-CB 4.01Å; Y37-L291 HydrophobicContact CE1-CB 3.87Å; Y37-L291 WeakPolarHBondContact CE1-O 3.44Å; V39-L291 HydrophobicContact CG2-CB 4.15Å; V39-L291 HydrophobicContact CG2-CD1 3.94Å; T61-L291 HydrophobicContact CG2-CD2 4.11Å; K64-L291 HydrophobicContact CB-CD1 3.35Å; K64-L291 HydrophobicContact CD-CD1 3.92Å; K64-L291 HydrophobicContact CG-CD1 4.26Å; L65-L291 HydrophobicContact CD1-CD2 4.45Å; L65-L291 HydrophobicContact CD2-CD2 3.54Å; L65-L291 HydrophobicContact CG-CD2 3.72Å; A287-L291 WeakPolarHBondContact O-CG 3.47Å; A287-L291 PolarHBondContact O-N 3.23Å; N288-L291 PolarHBondContact O-N 3.44Å; A289-L291 VanDerWaalsContact C-N 3.33Å; L291-L293 PolarHBondContact O-N 3.42Å; L291-A294 PolarHBondContact O-N 2.85Å; L291-V295 HydrophobicContact CD2-CG2 4.3Å; L291-V295 WeakPolarHBondContact O-CA 3.45Å; L291-V295 VanDerWaalsContact O-CB 3.31Å; L291-V295 WeakPolarHBondContact O-CB 3.26Å; L291-V295 PolarHBondContact O-N 3.16Å
292L91.7Very high86.5Confident10 Ų1032.8 Ų32.85%0.05219%0.194CC..Hα-helixtrans-54-46.7171.5176.860.2000109Y37 N288 S296 F299 L316Y37-L292 VanDerWaalsContact CD1-CA 3.46Å; Y37-L292 HydrophobicContact CD1-CB 3.74Å; Y37-L292 HydrophobicContact CD2-CB 4.15Å; Y37-L292 HydrophobicContact CD2-CD1 3.42Å; Y37-L292 VanDerWaalsContact CD2-CD1 3.42Å; Y37-L292 HydrophobicContact CD2-CG 4.33Å; Y37-L292 VanDerWaalsContact CE1-CA 3.46Å; Y37-L292 HydrophobicContact CE1-CB 4.24Å; Y37-L292 VanDerWaalsContact CE1-N 3.3Å; Y37-L292 HydrophobicContact CE2-CD1 3.71Å; Y37-L292 HydrophobicContact CG-CB 3.67Å; Y37-L292 HydrophobicContact CG-CD1 3.86Å; Y37-L292 HydrophobicContact CG-CG 4.28Å; N288-L292 WeakPolarHBondContact O-CB 3.35Å; N288-L292 PolarHBondContact O-N 2.91Å; L292-S296 WeakPolarHBondContact O-CB 3.45Å; L292-S296 PolarHBondContact O-N 3.33Å; L292-F299 HydrophobicContact CD1-CE2 4.03Å; L292-F299 HydrophobicContact CD2-CE2 4.23Å; L292-F299 HydrophobicContact CG-CD2 4.28Å; L292-F299 HydrophobicContact CG-CE2 3.73Å; L292-L316 HydrophobicContact CB-CD1 4.39Å; L292-L316 HydrophobicContact CD2-CD1 4.1Å; L292-L316 HydrophobicContact CD2-CG 3.99Å; L292-L316 HydrophobicContact CG-CD1 4.17Å
293L89.5Confident87.5Confident0 Ų030.7 Ų30.70%018%0.176CC..Hα-helixtrans-71.7-43.7178.4-158.851.5000113.3R193 V195 Y251 A289 V290 L291 F299 F307 L316R193-L293 PolarHBondContact NH1-O 2.7Å; V195-L293 HydrophobicContact CG1-CD2 4.37Å; Y251-L293 HydrophobicContact CD1-CD1 3.27Å; Y251-L293 HydrophobicContact CD1-CG 3.81Å; Y251-L293 HydrophobicContact CD2-CD1 4.41Å; Y251-L293 HydrophobicContact CD2-CG 4.11Å; Y251-L293 HydrophobicContact CE1-CD1 3.88Å; Y251-L293 HydrophobicContact CG-CD1 3.57Å; Y251-L293 HydrophobicContact CG-CD2 4.11Å; Y251-L293 HydrophobicContact CG-CG 3.51Å; A289-L293 PolarHBondContact O-N 2.8Å; V290-L293 PolarHBondContact O-N 3.28Å; L291-L293 PolarHBondContact O-N 3.42Å; L293-F299 HydrophobicContact CD1-CB 4.01Å; L293-F299 HydrophobicContact CD1-CD1 3.6Å; L293-F299 HydrophobicContact CD1-CD2 4.26Å; L293-F299 HydrophobicContact CD1-CE1 4.23Å; L293-F299 HydrophobicContact CD1-CG 3.64Å; L293-F307 HydrophobicContact CD1-CD2 3.77Å; L293-F307 HydrophobicContact CD1-CE2 4.04Å; L293-F307 HydrophobicContact CD1-CG 4.25Å; L293-F307 HydrophobicContact CD2-CD2 4.3Å; L293-L316 HydrophobicContact CB-CD1 3.74Å; L293-L316 HydrophobicContact CD1-CD1 3.86Å; L293-L316 HydrophobicContact CD2-CD1 4.17Å; L293-L316 HydrophobicContact CG-CD1 4.14Å
294A92.2Very high88.1Confident2 Ų229.2 Ų29.22%0.01717%0.167CC..Hα-helixtrans-77.1-20.1-17500000114.2L127 I129 R193 V195 V290 L291L127-A294 WeakPolarHBondContact CD2-O 3.41Å; I129-A294 HydrophobicContact CD1-CB 3.87Å; R193-A294 WeakPolarHBondContact CD-O 3.1Å; V195-A294 HydrophobicContact CG2-CB 3.84Å; V290-A294 WeakPolarHBondContact O-CB 3.41Å; V290-A294 PolarHBondContact O-N 2.93Å; L291-A294 PolarHBondContact O-N 2.85Å
295V92.7Very high88.5Confident22 Ų2231.7 Ų31.713%0.13318%0.176CC..Hα-helixtrans-129.6-36-170.2-175.90000112.6V39 L43 L127 R193 L291V39-V295 HydrophobicContact CG1-CG1 4.12Å; L43-V295 HydrophobicContact CD1-CG1 4.43Å; L43-V295 HydrophobicContact CD1-CG2 4.23Å; L43-V295 HydrophobicContact CD2-CG1 3.89Å; L127-V295 HydrophobicContact CD1-CG2 4.2Å; R193-V295 VanDerWaalsContact NH1-C 3.31Å; L291-V295 HydrophobicContact CD2-CG2 4.3Å; L291-V295 WeakPolarHBondContact O-CA 3.45Å; L291-V295 VanDerWaalsContact O-CB 3.31Å; L291-V295 WeakPolarHBondContact O-CB 3.26Å; L291-V295 PolarHBondContact O-N 3.16Å
296S90.5Very high88.8Confident13 Ų1330.4 Ų30.49%0.09117%0.171CC..  trans-62.6136.6-173-176.80000112.2Y37 R193 L292 E298 F299Y37-S296 PolarHBondContact OH-N 3.31Å; R193-S296 VanDerWaalsContact CZ-O 3.27Å; R193-S296 PolarHBondContact NH1-O 2.85Å; R193-S296 PolarHBondContact NH2-O 3.47Å; L292-S296 WeakPolarHBondContact O-CB 3.45Å; L292-S296 PolarHBondContact O-N 3.33Å; S296-E298 PolarHBondContact O-N 3.5Å; S296-E298 WeakPolarHBondContact OG-CB 3.37Å; S296-E298 PolarHBondContact OG-N 3.15Å; S296-F299 PolarHBondContact O-N 2.92Å
297P89.4Confident89.1Confident111 Ų11130.5 Ų30.572%0.72117%0.17SC*.G310 helixtrans-57-28.3169.7-24.935000113.6F299 G300P297-F299 PolarHBondContact O-N 2.77Å; P297-F299 VanDerWaalsContact O-N 3.15Å; P297-G300 WeakPolarHBondContact O-CA 3.41Å; P297-G300 PolarHBondContact O-N 3.42Å
298E88.1Confident88.9Confident117 Ų11733.9 Ų33.955%0.54718%0.183SC..G310 helixtrans-52.7-38.1-179.5-177.9-173.3171.500113.2S296S296-E298 PolarHBondContact O-N 3.5Å; S296-E298 WeakPolarHBondContact OG-CB 3.37Å; S296-E298 PolarHBondContact OG-N 3.15Å
299F88Confident88.4Confident10 Ų1034.5 Ų34.54%0.04418%0.184CC..G310 helixtrans-91.9-4.8-179.7-67.6-79.8000112.5Y251 L292 L293 S296 P297 D301 V302 F307 L316Y251-F299 HydrophobicContact CE1-CB 3.7Å; Y251-F299 WeakPolarHBondContact CE1-O 3.48Å; Y251-F299 VanDerWaalsContact OH-C 3.28Å; Y251-F299 PolarHBondContact OH-O 3.27Å; L292-F299 HydrophobicContact CD1-CE2 4.03Å; L292-F299 HydrophobicContact CD2-CE2 4.23Å; L292-F299 HydrophobicContact CG-CD2 4.28Å; L292-F299 HydrophobicContact CG-CE2 3.73Å; L293-F299 HydrophobicContact CD1-CB 4.01Å; L293-F299 HydrophobicContact CD1-CD1 3.6Å; L293-F299 HydrophobicContact CD1-CD2 4.26Å; L293-F299 HydrophobicContact CD1-CE1 4.23Å; L293-F299 HydrophobicContact CD1-CG 3.64Å; S296-F299 PolarHBondContact O-N 2.92Å; P297-F299 PolarHBondContact O-N 2.77Å; P297-F299 VanDerWaalsContact O-N 3.15Å; F299-D301 PolarHBondContact O-N 3.19Å; F299-V302 PolarHBondContact O-N 2.93Å; F299-F307 AromaticContact CD1-CE1 3.96Å; F299-F307 HydrophobicContact CD1-CE1 3.96Å; F299-F307 HydrophobicContact CD1-CE2 4.35Å; F299-F307 AromaticContact CD1-CZ 3.86Å; F299-F307 HydrophobicContact CD1-CZ 3.86Å; F299-F307 AromaticContact CE1-CD1 3.9Å; F299-F307 HydrophobicContact CE1-CD1 3.9Å; F299-F307 AromaticContact CE1-CE1 3.54Å; F299-F307 HydrophobicContact CE1-CE1 3.54Å; F299-F307 AromaticContact CE1-CZ 3.95Å; F299-F307 HydrophobicContact CE1-CZ 3.95Å; F299-L316 HydrophobicContact CE1-CB 4.15Å; F299-L316 HydrophobicContact CE1-CD1 4.5Å; F299-L316 HydrophobicContact CE2-CD1 4.22Å; F299-L316 HydrophobicContact CZ-CB 3.72Å; F299-L316 HydrophobicContact CZ-CD1 4.11Å; F299-L316 HydrophobicContact CZ-CG 4.46Å
300G84.5Confident88.2Confident14 Ų1436.4 Ų36.414%0.14419%0.194CC..THydrogen-bonded Turntrans-56-23.4-16600000116.6H249 P297H249-G300 PolarHBondContact CD2-O 2.9Å; H249-G300 PolarHBondContact CE1-O 3.28Å; H249-G300 PolarHBondContact ND1-O 3.03Å; H249-G300 PolarHBondContact NE2-O 3.22Å; P297-G300 WeakPolarHBondContact O-CA 3.41Å; P297-G300 PolarHBondContact O-N 3.42Å
301D83.9Confident87.6Confident158 Ų15843.3 Ų43.385%0.84522%0.22SC*.THydrogen-bonded Turntrans-106.83.5178.8-65.5-43.2000113.6F299F299-D301 PolarHBondContact O-N 3.19Å
302V86.5Confident87Confident43 Ų4349.2 Ų49.226%0.26126%0.256SS..  trans-100.6133.2-174.8-172.60000110.4H249 Y251 F299 K305 F307H249-V302 WeakPolarHBondContact CB-O 3.42Å; H249-V302 PolarHBondContact ND1-O 3.22Å; Y251-V302 HydrophobicContact CE1-CB 4.21Å; Y251-V302 WeakPolarHBondContact CE1-O 3.21Å; Y251-V302 PolarHBondContact OH-O 2.69Å; F299-V302 PolarHBondContact O-N 2.93Å; V302-K305 HydrophobicContact CG1-CB 3.87Å; V302-K305 HydrophobicContact CG1-CG 3.37Å; V302-F307 HydrophobicContact CG1-CE2 4.26Å; V302-F307 HydrophobicContact CG1-CZ 3.83Å
303S90Very high86.7Confident21 Ų2152.6 Ų52.615%0.14728%0.277CS..  trans-142.7149178.6-160.80000112.1S240 L248 H249 T250 K305S240-S303 VanDerWaalsContact OG-C 3.23Å; S240-S303 VanDerWaalsContact OG-CB 3.3Å; S240-S303 WeakPolarHBondContact OG-CB 3.39Å; S240-S303 PolarHBondContact OG-OG 2.69Å; L248-S303 PolarHBondContact O-OG 2.95Å; H249-S303 WeakPolarHBondContact CA-OG 3.38Å; T250-S303 PolarHBondContact N-OG 2.94Å; T250-S303 VanDerWaalsContact N-OG 3.1Å; S303-K305 PolarHBondContact O-N 3.37Å; S303-K305 VanDerWaalsContact O-N 3.14Å
304G88.6Confident86.4Confident5 Ų557.8 Ų57.85%0.05230%0.3CS..SBendtrans76.9-6177.500000114.9R237 S240 T250 K252R237-G304 WeakPolarHBondContact CG-O 3.33Å; S240-G304 VanDerWaalsContact CB-CA 3.46Å; S240-G304 WeakPolarHBondContact OG-CA 3.4Å; S240-G304 PolarHBondContact OG-N 2.97Å; S240-G304 VanDerWaalsContact OG-N 3.15Å; T250-G304 PolarHBondContact O-N 3.48Å; T250-G304 WeakPolarHBondContact OG1-CA 3.37Å; T250-G304 PolarHBondContact OG1-N 3.09Å; T250-G304 VanDerWaalsContact OG1-N 3.1Å; K252-G304 PolarHBondContact NZ-O 2.78Å
305K89.9Confident86.1Confident82 Ų8259.4 Ų59.436%0.35731%0.31SS..  trans-82159.6-176-57-49-156.5136.70112.9V302 S303 F307 E318V302-K305 HydrophobicContact CG1-CB 3.87Å; V302-K305 HydrophobicContact CG1-CG 3.37Å; S303-K305 PolarHBondContact O-N 3.37Å; S303-K305 VanDerWaalsContact O-N 3.14Å; K305-F307 HydrophobicContact CB-CD2 4.48Å; K305-F307 HydrophobicContact CB-CE2 3.62Å; K305-F307 HydrophobicContact CB-CZ 3.86Å; K305-E318 HydrophobicContact CB-CG 4.49Å; K305-E318 VanDerWaalsContact CD-OE1 3.25Å; K305-E318 WeakPolarHBondContact CD-OE1 3.05Å; K305-E318 WeakPolarHBondContact CE-OE1 3.17Å; K305-E318 IonicContact NZ-OE1 3.47Å; K305-E318 PolarHBondContact NZ-OE1 3.25Å; K305-E318 IonicContact NZ-OE2 3.7Å
306T87.5Confident85.9Confident1 Ų158.9 Ų58.91%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-113.3128.2179.9-51.70000110.4I198 K252 V254 E318 T319 I321I198-T306 HydrophobicContact CD1-CG2 3.52Å; K252-T306 HydrophobicContact CB-CG2 3.94Å; K252-T306 HydrophobicContact CD-CG2 4Å; K252-T306 WeakPolarHBondContact CD-OG1 3.44Å; V254-T306 HydrophobicContact CG2-CG2 4.02Å; T306-E318 CarbonylContact O-C 3.55Å; T306-E318 VanDerWaalsContact O-CA 3.29Å; T306-E318 WeakPolarHBondContact O-CA 2.91Å; T306-T319 WeakPolarHBondContact CB-O 3.41Å; T306-T319 HydrophobicContact CG2-CG2 3.72Å; T306-T319 PolarHBondContact O-N 3.49Å; T306-I321 HydrophobicContact CG2-CD1 3.84Å; T306-I321 HydrophobicContact CG2-CG1 4.22Å
307F88.6Confident85.8Confident9 Ų964.5 Ų64.54%0.03933%0.329CS..EExtended strand (participates in β ladder)trans-117.1145.5-178-63.3-86.8000112.7Y251 K252 Y253 V254 L293 F299 V302 K305 L316 K317 E318Y251-F307 HydrophobicContact CD1-CD2 4.38Å; Y251-F307 AromaticContact CD1-CE2 3.86Å; Y251-F307 HydrophobicContact CD1-CE2 3.86Å; K252-F307 CarbonylContact O-C 3.46Å; K252-F307 WeakPolarHBondContact O-CA 3.49Å; K252-F307 WeakPolarHBondContact O-CB 3.07Å; K252-F307 PolarHBondContact O-N 2.99Å; Y253-F307 WeakPolarHBondContact CA-O 3.25Å; V254-F307 PolarHBondContact N-O 2.95Å; L293-F307 HydrophobicContact CD1-CD2 3.77Å; L293-F307 HydrophobicContact CD1-CE2 4.04Å; L293-F307 HydrophobicContact CD1-CG 4.25Å; L293-F307 HydrophobicContact CD2-CD2 4.3Å; F299-F307 AromaticContact CD1-CE1 3.96Å; F299-F307 HydrophobicContact CD1-CE1 3.96Å; F299-F307 HydrophobicContact CD1-CE2 4.35Å; F299-F307 AromaticContact CD1-CZ 3.86Å; F299-F307 HydrophobicContact CD1-CZ 3.86Å; F299-F307 AromaticContact CE1-CD1 3.9Å; F299-F307 HydrophobicContact CE1-CD1 3.9Å; F299-F307 AromaticContact CE1-CE1 3.54Å; F299-F307 HydrophobicContact CE1-CE1 3.54Å; F299-F307 AromaticContact CE1-CZ 3.95Å; F299-F307 HydrophobicContact CE1-CZ 3.95Å; V302-F307 HydrophobicContact CG1-CE2 4.26Å; V302-F307 HydrophobicContact CG1-CZ 3.83Å; K305-F307 HydrophobicContact CB-CD2 4.48Å; K305-F307 HydrophobicContact CB-CE2 3.62Å; K305-F307 HydrophobicContact CB-CZ 3.86Å; F307-L316 HydrophobicContact CB-CB 4.13Å; F307-L316 HydrophobicContact CB-CD1 4.47Å; F307-L316 HydrophobicContact CB-CD2 4.18Å; F307-L316 HydrophobicContact CB-CG 4.5Å; F307-L316 HydrophobicContact CD1-CB 4.09Å; F307-L316 HydrophobicContact CG-CB 4.4Å; F307-K317 WeakPolarHBondContact CA-O 3.02Å; F307-E318 HydrophobicContact CD1-CB 4.46Å; F307-E318 HydrophobicContact CE1-CB 4.18Å
308R84.4Confident85.7Confident71 Ų7163.6 Ų63.627%0.26832%0.315SS..EExtended strand (participates in β ladder)trans-124.5141.8169.4172.8-177.8-61.6-130-1.4108.3V254 D310 L316 K317 T319V254-R308 HydrophobicContact CB-CB 4.32Å; R308-D310 PolarHBondContact O-N 3.48Å; R308-L316 WeakPolarHBondContact O-CA 3.41Å; R308-K317 PolarHBondContact N-O 3.41Å; R308-K317 PolarHBondContact O-N 2.93Å; R308-T319 HydrophobicContact CB-CG2 4.09Å
309Y80.6Confident85.7Confident32 Ų3259 Ų5913%0.12530%0.295CS..EExtended strand (participates in β ladder)trans-69118.2167.6-178.7-99.9000111.3I33 S34 C35 R311 K314I33-Y309 WeakPolarHBondContact O-CE1 3.48Å; I33-Y309 PolarHBondContact O-OH 2.81Å; I33-Y309 VanDerWaalsContact O-OH 3.08Å; S34-Y309 WeakPolarHBondContact CA-OH 3.17Å; S34-Y309 PolarHBondContact O-OH 2.8Å; S34-Y309 VanDerWaalsContact O-OH 3.08Å; C35-Y309 HydrophobicContact CB-CD2 3.8Å; C35-Y309 HydrophobicContact CB-CE2 3.37Å; C35-Y309 PolarHBondContact N-OH 3.49Å; Y309-R311 HydrophobicContact CD1-CG 4.29Å; Y309-R311 HydrophobicContact CE1-CG 3.97Å; Y309-K314 VanDerWaalsContact CE2-C 3.47Å; Y309-K314 VanDerWaalsContact CE2-O 3.31Å; Y309-K314 WeakPolarHBondContact CE2-O 3.47Å; Y309-K314 VanDerWaalsContact OH-CA 3.27Å; Y309-K314 WeakPolarHBondContact OH-CA 3.41Å
310D82.7Confident85.7Confident40 Ų4066 Ų6621%0.21433%0.328CS..  trans-93.3126.4173.6-174.1-6.8000109.3R308 V312 T313 K314 T315 K317R308-D310 PolarHBondContact O-N 3.48Å; D310-V312 VanDerWaalsContact C-N 3.34Å; D310-V312 PolarHBondContact OD1-N 2.65Å; D310-T313 WeakPolarHBondContact CB-OG1 3.17Å; D310-K314 WeakPolarHBondContact O-CA 3.08Å; D310-K314 PolarHBondContact O-N 3.39Å; D310-T315 PolarHBondContact N-O 3.45Å; D310-K317 HydrophobicContact CB-CB 4.17Å
311R78.1Confident85.8Confident146 Ų14666 Ų6655%0.55132%0.324SS*.THydrogen-bonded Turntrans-77.5-23.6-177.3-70.2174.4-178.9-168.33.3112.6I33 Y309I33-R311 HydrophobicContact CB-CB 4.17Å; I33-R311 HydrophobicContact CB-CG 4.32Å; Y309-R311 HydrophobicContact CD1-CG 4.29Å; Y309-R311 HydrophobicContact CE1-CG 3.97Å
312V80.5Confident86Confident127 Ų12760 Ų6077%0.7729%0.292SS*.THydrogen-bonded Turntrans-77.6-54.3-178.2-179.20000109.2D310 K314D310-V312 VanDerWaalsContact C-N 3.34Å; D310-V312 PolarHBondContact OD1-N 2.65Å; V312-K314 VanDerWaalsContact C-N 3.27Å; V312-K314 PolarHBondContact O-N 3.04Å
313T84.4Confident86.3Confident81 Ų8165 Ų6550%0.49732%0.318SS..THydrogen-bonded Turntrans-80.2-10178.161.40000113.2D310 T315D310-T313 WeakPolarHBondContact CB-OG1 3.17Å; T313-T315 PolarHBondContact O-N 3.35Å; T313-T315 VanDerWaalsContact O-N 3.1Å
314K82.7Confident86.5Confident108 Ų10866.3 Ų66.347%0.4732%0.321SS..SBendtrans5621-177.7-52.5-175.3-167.4-172.10114.9S32 Y309 D310 V312S32-K314 WeakPolarHBondContact O-CD 3.2Å; S32-K314 WeakPolarHBondContact O-CE 3.3Å; S32-K314 PolarHBondContact O-NZ 2.92Å; Y309-K314 VanDerWaalsContact CE2-C 3.47Å; Y309-K314 VanDerWaalsContact CE2-O 3.31Å; Y309-K314 WeakPolarHBondContact CE2-O 3.47Å; Y309-K314 VanDerWaalsContact OH-CA 3.27Å; Y309-K314 WeakPolarHBondContact OH-CA 3.41Å; D310-K314 WeakPolarHBondContact O-CA 3.08Å; D310-K314 PolarHBondContact O-N 3.39Å; V312-K314 VanDerWaalsContact C-N 3.27Å; V312-K314 PolarHBondContact O-N 3.04Å
315T86.7Confident86.5Confident37 Ų3766 Ų6623%0.22732%0.319CS..SBendtrans-129.2-176.5177.1-168.80000110.9D310 T313D310-T315 PolarHBondContact N-O 3.45Å; T313-T315 PolarHBondContact O-N 3.35Å; T313-T315 VanDerWaalsContact O-N 3.1Å
316L87.8Confident86.6Confident10 Ų1066.6 Ų66.65%0.05232%0.323CS..EExtended strand (participates in β ladder)trans-81.1132.4172.8-68.6173000110.3Y253 A289 L292 L293 F299 F307 R308Y253-L316 HydrophobicContact CD2-CD2 4.09Å; Y253-L316 HydrophobicContact CE2-CD2 4.47Å; A289-L316 HydrophobicContact CB-CD2 4.17Å; L292-L316 HydrophobicContact CB-CD1 4.39Å; L292-L316 HydrophobicContact CD2-CD1 4.1Å; L292-L316 HydrophobicContact CD2-CG 3.99Å; L292-L316 HydrophobicContact CG-CD1 4.17Å; L293-L316 HydrophobicContact CB-CD1 3.74Å; L293-L316 HydrophobicContact CD1-CD1 3.86Å; L293-L316 HydrophobicContact CD2-CD1 4.17Å; L293-L316 HydrophobicContact CG-CD1 4.14Å; F299-L316 HydrophobicContact CE1-CB 4.15Å; F299-L316 HydrophobicContact CE1-CD1 4.5Å; F299-L316 HydrophobicContact CE2-CD1 4.22Å; F299-L316 HydrophobicContact CZ-CB 3.72Å; F299-L316 HydrophobicContact CZ-CD1 4.11Å; F299-L316 HydrophobicContact CZ-CG 4.46Å; F307-L316 HydrophobicContact CB-CB 4.13Å; F307-L316 HydrophobicContact CB-CD1 4.47Å; F307-L316 HydrophobicContact CB-CD2 4.18Å; F307-L316 HydrophobicContact CB-CG 4.5Å; F307-L316 HydrophobicContact CD1-CB 4.09Å; F307-L316 HydrophobicContact CG-CB 4.4Å; R308-L316 WeakPolarHBondContact O-CA 3.41Å
317K88.2Confident87Confident131 Ų13168.9 Ų68.957%0.5734%0.335SS*.EExtended strand (participates in β ladder)trans-116.1138.1172.1-168.9176.5-179.3174.40109.9F307 R308 D310F307-K317 WeakPolarHBondContact CA-O 3.02Å; R308-K317 PolarHBondContact N-O 3.41Å; R308-K317 PolarHBondContact O-N 2.93Å; D310-K317 HydrophobicContact CB-CB 4.17Å
318E89.2Confident87.3Confident92 Ų9273.5 Ų73.543%0.4336%0.359SS..EExtended strand (participates in β ladder)trans-60140.9171.8-172.2169.9165.600110.2K305 T306 F307K305-E318 HydrophobicContact CB-CG 4.49Å; K305-E318 VanDerWaalsContact CD-OE1 3.25Å; K305-E318 WeakPolarHBondContact CD-OE1 3.05Å; K305-E318 WeakPolarHBondContact CE-OE1 3.17Å; K305-E318 IonicContact NZ-OE1 3.47Å; K305-E318 PolarHBondContact NZ-OE1 3.25Å; K305-E318 IonicContact NZ-OE2 3.7Å; T306-E318 CarbonylContact O-C 3.55Å; T306-E318 VanDerWaalsContact O-CA 3.29Å; T306-E318 WeakPolarHBondContact O-CA 2.91Å; F307-E318 HydrophobicContact CD1-CB 4.46Å; F307-E318 HydrophobicContact CE1-CB 4.18Å
319T86.3Confident87.9Confident20 Ų2079.1 Ų79.112%0.12338%0.381CS..  trans-135.2136.8176.91770000110.6K203 V254 T306 R308K203-T319 WeakPolarHBondContact CE-OG1 3.17Å; K203-T319 PolarHBondContact NZ-OG1 2.8Å; V254-T319 HydrophobicContact CG2-CG2 4.15Å; T306-T319 WeakPolarHBondContact CB-O 3.41Å; T306-T319 HydrophobicContact CG2-CG2 3.72Å; T306-T319 PolarHBondContact O-N 3.49Å; R308-T319 HydrophobicContact CB-CG2 4.09Å
320E88.4Confident88.5Confident157 Ų15778.5 Ų78.573%0.73438%0.38SS*.  trans-74.1155.7167.7-66.1170.1-175.400110.8K203K203-E320 WeakPolarHBondContact CE-O 3.25Å; K203-E320 PolarHBondContact NZ-O 3.31Å
321I87.1Confident89Confident14 Ų1477 Ų777%0.07237%0.372CS..  trans-108.8-82.8-177.1-63.3-54.2000111.2C202 K203 L230 V233 T306 A325C202-I321 HydrophobicContact CB-CG2 4.27Å; C202-I321 WeakPolarHBondContact SG-CD1 2.85Å; K203-I321 HydrophobicContact CG-CD1 4.07Å; L230-I321 HydrophobicContact CD1-CG2 3.97Å; V233-I321 HydrophobicContact CG1-CB 4.38Å; V233-I321 HydrophobicContact CG1-CG1 3.85Å; V233-I321 HydrophobicContact CG1-CG2 4.48Å; V233-I321 HydrophobicContact CG2-CG1 4.31Å; T306-I321 HydrophobicContact CG2-CD1 3.84Å; T306-I321 HydrophobicContact CG2-CG1 4.22Å; I321-A325 HydrophobicContact CB-CB 4.04Å; I321-A325 HydrophobicContact CG2-CB 4.05Å
322N88.3Confident89.7Confident33 Ų3373.4 Ų73.418%0.17636%0.363CS..  trans-158.7168.9175.466.9-0.3000108.4G205 L230 E324 A325G205-N322 PolarHBondContact O-ND2 3.07Å; G205-N322 VanDerWaalsContact O-ND2 3.14Å; L230-N322 VanDerWaalsContact CD1-OD1 3.26Å; L230-N322 WeakPolarHBondContact CD1-OD1 3.07Å; N322-E324 VanDerWaalsContact C-N 3.31Å; N322-E324 PolarHBondContact O-N 3.41Å; N322-A325 WeakPolarHBondContact O-CB 3.48Å; N322-A325 PolarHBondContact O-N 2.85Å; N322-A325 VanDerWaalsContact O-N 3.08Å; N322-A325 VanDerWaalsContact OD1-CB 3.31Å; N322-A325 WeakPolarHBondContact OD1-CB 2.89Å; N322-A325 PolarHBondContact OD1-N 2.93Å
323D93.3Very high90.4Very high148 Ų14873.8 Ų73.879%0.79135%0.351SS*.Hα-helixtrans-64-34.7-174.3-56.7-24.8000112.8A325 E326 D327D323-A325 PolarHBondContact O-N 3.48Å; D323-E326 WeakPolarHBondContact O-CA 3.08Å; D323-E326 PolarHBondContact O-N 2.77Å; D323-D327 PolarHBondContact O-N 2.93Å
324E92.8Very high90.6Very high48 Ų4869.9 Ų69.922%0.22433%0.327CS..Hα-helixtrans-60-33.9174.7-79.6177.1-129.300113H206 V207 L230 N322 E326 D327H206-E324 IonicContact CE1-OE1 3.68Å; H206-E324 PolarHBondContact CE1-OE1 3.37Å; H206-E324 IonicContact CG-OE1 2.77Å; H206-E324 IonicContact ND1-OE1 3.48Å; H206-E324 PolarHBondContact ND1-OE1 2.9Å; H206-E324 IonicContact ND1-OE2 2.65Å; H206-E324 PolarHBondContact ND1-OE2 3.47Å; V207-E324 PolarHBondContact N-OE2 3.03Å; L230-E324 HydrophobicContact CD2-CB 4.41Å; N322-E324 VanDerWaalsContact C-N 3.31Å; N322-E324 PolarHBondContact O-N 3.41Å; E324-E326 PolarHBondContact O-N 3.4Å; E324-D327 PolarHBondContact O-N 3.17Å
325A89.7Confident91Very high0 Ų065 Ų650%031%0.306CS..Hα-helixtrans-68.1-26.9176.100000111.6L230 V233 V234 R237 I321 N322 D323 Q331L230-A325 HydrophobicContact CD1-CB 3.84Å; V233-A325 HydrophobicContact CG1-CB 4Å; V234-A325 HydrophobicContact CG2-CB 4.37Å; R237-A325 VanDerWaalsContact CD-O 3.28Å; R237-A325 WeakPolarHBondContact CD-O 3.35Å; R237-A325 PolarHBondContact NH1-O 3.28Å; I321-A325 HydrophobicContact CB-CB 4.04Å; I321-A325 HydrophobicContact CG2-CB 4.05Å; N322-A325 WeakPolarHBondContact O-CB 3.48Å; N322-A325 PolarHBondContact O-N 2.85Å; N322-A325 VanDerWaalsContact O-N 3.08Å; N322-A325 VanDerWaalsContact OD1-CB 3.31Å; N322-A325 WeakPolarHBondContact OD1-CB 2.89Å; N322-A325 PolarHBondContact OD1-N 2.93Å; D323-A325 PolarHBondContact O-N 3.48Å; A325-Q331 PolarHBondContact O-NE2 3.04Å
326E91.6Very high91.1Very high94 Ų9467.6 Ų67.644%0.43932%0.318SS..Hα-helixtrans-89.2-21.3177.8-52.6-53.2150.100113.1R237 D323 E324 L328 Q331R237-E326 VanDerWaalsContact CZ-CD 3.46Å; R237-E326 IonicContact CZ-OE1 3.2Å; R237-E326 IonicContact CZ-OE2 2.95Å; R237-E326 VanDerWaalsContact CZ-OE2 3.3Å; R237-E326 IonicContact NE-OE2 2.94Å; R237-E326 IonicContact NH1-OE1 2.69Å; R237-E326 PolarHBondContact NH1-OE1 3.05Å; R237-E326 IonicContact NH1-OE2 3.69Å; R237-E326 PolarHBondContact NH1-OE2 3.07Å; R237-E326 VanDerWaalsContact NH1-OE2 3.1Å; R237-E326 IonicContact NH2-OE1 3.48Å; R237-E326 PolarHBondContact NH2-OE1 2.73Å; R237-E326 IonicContact NH2-OE2 3.91Å; D323-E326 WeakPolarHBondContact O-CA 3.08Å; D323-E326 PolarHBondContact O-N 2.77Å; E324-E326 PolarHBondContact O-N 3.4Å; E326-L328 PolarHBondContact O-N 3.05Å; E326-L328 VanDerWaalsContact O-N 3.15Å; E326-Q331 PolarHBondContact O-NE2 3.47Å
327D95.7Very high91.1Very high48 Ų4868.5 Ų68.526%0.25732%0.323SS..  trans-66.6113178.9-171.7-29.5000111.5D323 E324 R329 V330 Q331D323-D327 PolarHBondContact O-N 2.93Å; E324-D327 PolarHBondContact O-N 3.17Å; D327-R329 PolarHBondContact O-N 3.18Å; D327-R329 WeakPolarHBondContact OD1-CA 3.12Å; D327-R329 VanDerWaalsContact OD1-CB 3.26Å; D327-R329 WeakPolarHBondContact OD1-CB 3.07Å; D327-R329 PolarHBondContact OD1-N 3.27Å; D327-R329 IonicContact OD1-NE 3.48Å; D327-R329 PolarHBondContact OD1-NE 3.43Å; D327-R329 IonicContact OD2-CZ 3.54Å; D327-R329 IonicContact OD2-NE 3.49Å; D327-R329 IonicContact OD2-NH2 3.37Å; D327-R329 PolarHBondContact OD2-NH2 2.82Å; D327-V330 HydrophobicContact CB-CB 4.09Å; D327-V330 HydrophobicContact CB-CG2 3.8Å; D327-V330 WeakPolarHBondContact O-CB 3.15Å; D327-V330 PolarHBondContact O-N 3.23Å; D327-V330 VanDerWaalsContact O-N 3.09Å; D327-V330 PolarHBondContact OD1-N 3.19Å; D327-Q331 WeakPolarHBondContact O-CG 3.09Å; D327-Q331 PolarHBondContact O-N 2.96Å
328L95.5Very high91Very high106 Ų10662.3 Ų62.356%0.55530%0.296SS*.Hα-helixtrans-60-30.5179.8-65.1178.3000113.5E326 L332E326-L328 PolarHBondContact O-N 3.05Å; E326-L328 VanDerWaalsContact O-N 3.15Å; L328-L332 WeakPolarHBondContact O-CB 3.08Å; L328-L332 PolarHBondContact O-N 2.85Å
329R96.5Very high90.8Very high190 Ų19058.4 Ų58.472%0.71728%0.278SS*.Hα-helixtrans-72.2-38.7177-59.5171.7-63.7-179.42.4110.4D327 R333D327-R329 PolarHBondContact O-N 3.18Å; D327-R329 WeakPolarHBondContact OD1-CA 3.12Å; D327-R329 VanDerWaalsContact OD1-CB 3.26Å; D327-R329 WeakPolarHBondContact OD1-CB 3.07Å; D327-R329 PolarHBondContact OD1-N 3.27Å; D327-R329 IonicContact OD1-NE 3.48Å; D327-R329 PolarHBondContact OD1-NE 3.43Å; D327-R329 IonicContact OD2-CZ 3.54Å; D327-R329 IonicContact OD2-NE 3.49Å; D327-R329 IonicContact OD2-NH2 3.37Å; D327-R329 PolarHBondContact OD2-NH2 2.82Å; R329-R333 WeakPolarHBondContact O-CB 3.36Å; R329-R333 PolarHBondContact O-N 2.9Å
330V93.9Very high90.6Very high18 Ų1865.9 Ų65.911%0.10931%0.306CS..Hα-helixtrans-64-46.4174.2175.60000109.7V207 F209 V234 D327 R333 L334V207-V330 HydrophobicContact CB-CG1 4.47Å; V207-V330 HydrophobicContact CG2-CG1 4.25Å; F209-V330 HydrophobicContact CE2-CG1 4.08Å; F209-V330 HydrophobicContact CE2-CG2 4.28Å; F209-V330 HydrophobicContact CZ-CG1 4.05Å; V234-V330 HydrophobicContact CG1-CG1 4.12Å; V234-V330 HydrophobicContact CG2-CG1 4.46Å; D327-V330 HydrophobicContact CB-CB 4.09Å; D327-V330 HydrophobicContact CB-CG2 3.8Å; D327-V330 WeakPolarHBondContact O-CB 3.15Å; D327-V330 PolarHBondContact O-N 3.23Å; D327-V330 VanDerWaalsContact O-N 3.09Å; D327-V330 PolarHBondContact OD1-N 3.19Å; V330-R333 PolarHBondContact O-N 2.97Å; V330-L334 WeakPolarHBondContact O-CB 3.5Å; V330-L334 PolarHBondContact O-N 2.81Å
331Q92.6Very high90.1Very high9 Ų959.9 Ų59.94%0.04228%0.276CS..Hα-helixtrans-53.8-57.8175-70.1174.627.600112.9V234 R237 E238 A325 E326 D327 L334 W335V234-Q331 VanDerWaalsContact CG1-CA 3.45Å; V234-Q331 HydrophobicContact CG1-CB 4.22Å; V234-Q331 HydrophobicContact CG1-CG 3.93Å; R237-Q331 HydrophobicContact CB-CG 4.38Å; E238-Q331 HydrophobicContact CB-CB 4.17Å; A325-Q331 PolarHBondContact O-NE2 3.04Å; E326-Q331 PolarHBondContact O-NE2 3.47Å; D327-Q331 WeakPolarHBondContact O-CG 3.09Å; D327-Q331 PolarHBondContact O-N 2.96Å; Q331-L334 PolarHBondContact O-N 3.33Å; Q331-W335 WeakPolarHBondContact O-CB 2.92Å; Q331-W335 PolarHBondContact O-N 3.49Å
332L93.5Very high89.7Confident71 Ų7159.3 Ų59.337%0.37227%0.274SS..Hα-helixtrans-64-45.5-178.6-179.361.2000111.7L328 L334 W335 L336L328-L332 WeakPolarHBondContact O-CB 3.08Å; L328-L332 PolarHBondContact O-N 2.85Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L332-L334 PolarHBondContact O-N 2.77Å; L332-W335 PolarHBondContact O-N 2.64Å; L332-L336 HydrophobicContact CD1-CD1 3.84Å; L332-L336 HydrophobicContact CD1-CD2 4.44Å; L332-L336 HydrophobicContact CD1-CG 3.9Å; L332-L336 HydrophobicContact CD2-CD1 4.5Å; L332-L336 HydrophobicContact CG-CD1 3.84Å; L332-L336 HydrophobicContact CG-CG 4.27Å; L332-L336 WeakPolarHBondContact O-CB 3.34Å; L332-L336 VanDerWaalsContact O-CG 3.3Å; L332-L336 WeakPolarHBondContact O-CG 3.17Å; L332-L336 PolarHBondContact O-N 3.14Å
333R93.6Very high89.4Confident134 Ų13462.7 Ų62.751%0.50629%0.287SS..Hα-helixtrans-61.7-43.2-179-174.4179178.3-179.11.7111.3F209 R329 V330 T337F209-R333 HydrophobicContact CD1-CG 3.96Å; F209-R333 VanDerWaalsContact CD1-NE 3.31Å; F209-R333 HydrophobicContact CE1-CB 3.95Å; F209-R333 VanDerWaalsContact CE1-CD 3.42Å; F209-R333 HydrophobicContact CE1-CG 3.48Å; F209-R333 VanDerWaalsContact CE1-CG 3.48Å; F209-R333 HydrophobicContact CZ-CB 4.07Å; F209-R333 HydrophobicContact CZ-CG 4.04Å; R329-R333 WeakPolarHBondContact O-CB 3.36Å; R329-R333 PolarHBondContact O-N 2.9Å; V330-R333 PolarHBondContact O-N 2.97Å; R333-T337 VanDerWaalsContact O-CB 3.25Å; R333-T337 WeakPolarHBondContact O-CB 3.06Å; R333-T337 PolarHBondContact O-N 2.87Å; R333-T337 PolarHBondContact O-OG1 2.93Å
334L90.1Very high88.8Confident0 Ų055.7 Ų55.70%025%0.249CC..Hα-helixtrans-68.1-41.4-179.2-160.860.3000111.7L155 V207 F209 L212 A231 V234 V330 Q331 L332 T337 A338L155-L334 HydrophobicContact CD1-CD1 3.38Å; L155-L334 HydrophobicContact CD1-CD2 3.81Å; L155-L334 HydrophobicContact CD1-CG 3.71Å; V207-L334 HydrophobicContact CG1-CD1 3.77Å; V207-L334 HydrophobicContact CG1-CD2 4.3Å; V207-L334 HydrophobicContact CG2-CD2 4.26Å; F209-L334 HydrophobicContact CE1-CB 4.46Å; F209-L334 HydrophobicContact CE1-CD1 4.05Å; F209-L334 HydrophobicContact CZ-CB 4.45Å; F209-L334 HydrophobicContact CZ-CD1 4.44Å; L212-L334 HydrophobicContact CD1-CD1 4.44Å; L212-L334 HydrophobicContact CD2-CD1 3.95Å; A231-L334 HydrophobicContact CB-CD2 3.67Å; V234-L334 HydrophobicContact CB-CD2 3.82Å; V234-L334 HydrophobicContact CG1-CB 4.01Å; V234-L334 HydrophobicContact CG1-CD2 3.55Å; V234-L334 HydrophobicContact CG1-CG 4.44Å; V234-L334 HydrophobicContact CG2-CD2 4.44Å; V330-L334 WeakPolarHBondContact O-CB 3.5Å; V330-L334 PolarHBondContact O-N 2.81Å; Q331-L334 PolarHBondContact O-N 3.33Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L332-L334 PolarHBondContact O-N 2.77Å; L334-T337 PolarHBondContact O-N 3.27Å; L334-A338 WeakPolarHBondContact O-CB 3.25Å; L334-A338 PolarHBondContact O-N 3.11Å
335W89.5Confident88.1Confident6 Ų658.2 Ų58.22%0.02326%0.261CS..Hα-helixtrans-61.5-51.9174.7179.5-81.5000112.5H176 V180 C235 E238 L239 Q242 Q331 L332 T337 A338 D339H176-W335 AromaticContact CE1-CD2 3.62Å; H176-W335 AromaticContact CE1-CE2 3.73Å; H176-W335 AromaticContact CE1-CE3 3.39Å; H176-W335 AromaticContact CE1-CH2 3.38Å; H176-W335 WeakPolarHBondContact CE1-CH2 3.43Å; H176-W335 AromaticContact CE1-CZ2 3.66Å; H176-W335 AromaticContact CE1-CZ3 3.25Å; H176-W335 WeakPolarHBondContact CE1-CZ3 3.42Å; H176-W335 AromaticContact ND1-CE3 3.73Å; H176-W335 AromaticContact ND1-CH2 3.82Å; H176-W335 AromaticContact ND1-CZ3 3.39Å; H176-W335 WeakPolarHBondContact ND1-CZ3 3.25Å; V180-W335 HydrophobicContact CG2-CH2 3.88Å; V180-W335 HydrophobicContact CG2-CZ2 3.93Å; C235-W335 HydrophobicContact CB-CE3 4.01Å; C235-W335 HydrophobicContact CB-CZ3 4.44Å; E238-W335 HydrophobicContact CB-CB 4.1Å; E238-W335 HydrophobicContact CB-CD2 4.37Å; E238-W335 HydrophobicContact CB-CE3 4.1Å; E238-W335 HydrophobicContact CB-CG 4.38Å; E238-W335 HydrophobicContact CG-CB 3.35Å; E238-W335 HydrophobicContact CG-CD2 3.77Å; E238-W335 HydrophobicContact CG-CE3 4.02Å; E238-W335 HydrophobicContact CG-CG 3.47Å; E238-W335 VanDerWaalsContact CG-CG 3.47Å; L239-W335 HydrophobicContact CB-CE3 4.42Å; L239-W335 HydrophobicContact CB-CH2 3.99Å; L239-W335 HydrophobicContact CB-CZ3 3.64Å; L239-W335 HydrophobicContact CD1-CH2 3.7Å; L239-W335 HydrophobicContact CD1-CZ2 4.38Å; L239-W335 HydrophobicContact CD1-CZ3 4.26Å; L239-W335 HydrophobicContact CG-CH2 4.27Å; L239-W335 HydrophobicContact CG-CZ3 4.37Å; Q242-W335 VanDerWaalsContact NE2-CE2 3.33Å; Q331-W335 WeakPolarHBondContact O-CB 2.92Å; Q331-W335 PolarHBondContact O-N 3.49Å; L332-W335 PolarHBondContact O-N 2.64Å; W335-T337 PolarHBondContact O-N 3.48Å; W335-A338 WeakPolarHBondContact O-CB 3.3Å; W335-A338 PolarHBondContact O-N 2.9Å; W335-D339 PolarHBondContact NE1-OD2 2.9Å; W335-D339 PolarHBondContact O-N 3.19Å
336L89.9Confident87.7Confident91 Ų9165.6 Ų65.648%0.47629%0.293SS..Hα-helixtrans-61.4-36.2178.3-69.2176.7000111.6L332 D339 Y340L332-L336 HydrophobicContact CD1-CD1 3.84Å; L332-L336 HydrophobicContact CD1-CD2 4.44Å; L332-L336 HydrophobicContact CD1-CG 3.9Å; L332-L336 HydrophobicContact CD2-CD1 4.5Å; L332-L336 HydrophobicContact CG-CD1 3.84Å; L332-L336 HydrophobicContact CG-CG 4.27Å; L332-L336 WeakPolarHBondContact O-CB 3.34Å; L332-L336 VanDerWaalsContact O-CG 3.3Å; L332-L336 WeakPolarHBondContact O-CG 3.17Å; L332-L336 PolarHBondContact O-N 3.14Å; L336-D339 PolarHBondContact O-N 2.82Å; L336-Y340 VanDerWaalsContact O-CB 3.25Å; L336-Y340 WeakPolarHBondContact O-CB 3.35Å; L336-Y340 PolarHBondContact O-N 2.93Å
337T88Confident87Confident29 Ų2961.9 Ų61.918%0.17828%0.277CS..Hα-helixtrans-65-42.2174.6-58.20000111.2M171 L212 R333 L334 W335 W341M171-T337 HydrophobicContact CE-CG2 3.85Å; L212-T337 HydrophobicContact CD1-CG2 3.76Å; R333-T337 VanDerWaalsContact O-CB 3.25Å; R333-T337 WeakPolarHBondContact O-CB 3.06Å; R333-T337 PolarHBondContact O-N 2.87Å; R333-T337 PolarHBondContact O-OG1 2.93Å; L334-T337 PolarHBondContact O-N 3.27Å; W335-T337 PolarHBondContact O-N 3.48Å; T337-W341 HydrophobicContact CG2-CD2 3.84Å; T337-W341 HydrophobicContact CG2-CE3 3.36Å; T337-W341 HydrophobicContact CG2-CH2 4.41Å; T337-W341 HydrophobicContact CG2-CZ3 3.81Å; T337-W341 WeakPolarHBondContact O-CB 3.28Å; T337-W341 PolarHBondContact O-N 2.98Å; T337-W341 VanDerWaalsContact O-N 3.1Å
338A85.5Confident86.3Confident0 Ų060.9 Ų60.90%027%0.271CS..Hα-helixtrans-64.5-43.8175.800000112.2L155 V173 L334 W335 W341 T342L155-A338 HydrophobicContact CD2-CB 4.17Å; V173-A338 HydrophobicContact CG1-CB 3.81Å; L334-A338 WeakPolarHBondContact O-CB 3.25Å; L334-A338 PolarHBondContact O-N 3.11Å; W335-A338 WeakPolarHBondContact O-CB 3.3Å; W335-A338 PolarHBondContact O-N 2.9Å; A338-W341 PolarHBondContact O-N 2.65Å; A338-T342 WeakPolarHBondContact O-CB 3.2Å; A338-T342 WeakPolarHBondContact O-CG2 3.25Å; A338-T342 PolarHBondContact O-N 2.96Å; A338-T342 PolarHBondContact O-OG1 2.89Å
339D84.7Confident85.6Confident10 Ų1061.4 Ų61.45%0.05327%0.273CS..Hα-helixtrans-63.9-45.9176.6-83.9-0.7000112.1H176 W335 L336 W341 T342 K343 A344 Q345H176-D339 IonicContact CD2-OD1 2.79Å; H176-D339 IonicContact CE1-OD1 2.76Å; H176-D339 PolarHBondContact CE1-OD1 3.22Å; H176-D339 IonicContact NE2-OD1 3.94Å; H176-D339 PolarHBondContact NE2-OD1 3.42Å; W335-D339 PolarHBondContact NE1-OD2 2.9Å; W335-D339 PolarHBondContact O-N 3.19Å; L336-D339 PolarHBondContact O-N 2.82Å; D339-W341 VanDerWaalsContact C-N 3.34Å; D339-W341 PolarHBondContact O-N 3.21Å; D339-T342 PolarHBondContact O-OG1 3.38Å; D339-K343 VanDerWaalsContact O-CA 3.27Å; D339-K343 WeakPolarHBondContact O-CA 3.27Å; D339-K343 PolarHBondContact O-N 3.01Å; D339-A344 PolarHBondContact O-N 2.95Å; D339-Q345 PolarHBondContact OD2-NE2 3.5Å
340Y83.2Confident84.9Confident178 Ų17856.7 Ų56.770%0.69826%0.262SS*.Hα-helixtrans-61.1-42.6178.3175.6-105.1000111.8L336 K343L336-Y340 VanDerWaalsContact O-CB 3.25Å; L336-Y340 WeakPolarHBondContact O-CB 3.35Å; L336-Y340 PolarHBondContact O-N 2.93Å; Y340-K343 PolarHBondContact O-N 3.3Å
341W76.6Confident84.4Confident31 Ų3156.6 Ų56.612%0.11726%0.26CS..Hα-helixtrans-76.3-30.1-176.7-74.6-15.2000114.3R169 M171 L212 T337 A338 D339R169-W341 HydrophobicContact CB-CZ2 4Å; M171-W341 HydrophobicContact CB-CB 3.89Å; M171-W341 HydrophobicContact CB-CD2 3.44Å; M171-W341 VanDerWaalsContact CB-CD2 3.44Å; M171-W341 HydrophobicContact CB-CE3 2.79Å; M171-W341 HydrophobicContact CB-CG 3.96Å; M171-W341 HydrophobicContact CB-CH2 4.31Å; M171-W341 HydrophobicContact CB-CZ3 3.25Å; M171-W341 HydrophobicContact CE-CE3 3.31Å; M171-W341 HydrophobicContact CE-CH2 4.48Å; M171-W341 HydrophobicContact CE-CZ3 3.22Å; M171-W341 HydrophobicContact CG-CD2 4.34Å; M171-W341 HydrophobicContact CG-CE3 3.32Å; M171-W341 HydrophobicContact CG-CZ3 3.69Å; M171-W341 HydrophobicContact SD-CE3 3.57Å; M171-W341 VanDerWaalsContact SD-CE3 3.57Å; M171-W341 HydrophobicContact SD-CZ3 3.3Å; M171-W341 WeakPolarHBondContact SD-CZ3 3.11Å; L212-W341 HydrophobicContact CB-CH2 4.49Å; L212-W341 HydrophobicContact CB-CZ3 4.17Å; L212-W341 HydrophobicContact CD1-CZ3 4.25Å; T337-W341 HydrophobicContact CG2-CD2 3.84Å; T337-W341 HydrophobicContact CG2-CE3 3.36Å; T337-W341 HydrophobicContact CG2-CH2 4.41Å; T337-W341 HydrophobicContact CG2-CZ3 3.81Å; T337-W341 WeakPolarHBondContact O-CB 3.28Å; T337-W341 PolarHBondContact O-N 2.98Å; T337-W341 VanDerWaalsContact O-N 3.1Å; A338-W341 PolarHBondContact O-N 2.65Å; D339-W341 VanDerWaalsContact C-N 3.34Å; D339-W341 PolarHBondContact O-N 3.21Å
342T79.8Confident83.7Confident2 Ų260 Ų601%0.01228%0.278CS..Hα-helixtrans-85.5-19.4172.549.20000113.8L108 V173 L177 A338 D339 A344L108-T342 HydrophobicContact CD2-CG2 4.14Å; V173-T342 HydrophobicContact CB-CG2 3.25Å; V173-T342 HydrophobicContact CG1-CG2 3.46Å; V173-T342 VanDerWaalsContact CG1-CG2 3.46Å; V173-T342 HydrophobicContact CG2-CG2 3.26Å; L177-T342 HydrophobicContact CB-CG2 4.04Å; A338-T342 WeakPolarHBondContact O-CB 3.2Å; A338-T342 WeakPolarHBondContact O-CG2 3.25Å; A338-T342 PolarHBondContact O-N 2.96Å; A338-T342 PolarHBondContact O-OG1 2.89Å; D339-T342 PolarHBondContact O-OG1 3.38Å; T342-A344 PolarHBondContact O-N 3.3Å; T342-A344 WeakPolarHBondContact OG1-CB 3.4Å; T342-A344 PolarHBondContact OG1-N 3.19Å
343K82.3Confident83.1Confident104 Ų10459.7 Ų59.745%0.45228%0.282SS..THydrogen-bonded Turntrans54.927-162.5-49.9172-175.6166.20111.8D339 Y340 Q345 K346 V347D339-K343 VanDerWaalsContact O-CA 3.27Å; D339-K343 WeakPolarHBondContact O-CA 3.27Å; D339-K343 PolarHBondContact O-N 3.01Å; Y340-K343 PolarHBondContact O-N 3.3Å; K343-Q345 VanDerWaalsContact C-N 3.29Å; K343-Q345 PolarHBondContact O-N 3.48Å; K343-K346 HydrophobicContact CB-CB 4.26Å; K343-K346 WeakPolarHBondContact O-CA 3.34Å; K343-K346 WeakPolarHBondContact O-CB 3.43Å; K343-K346 PolarHBondContact O-N 2.86Å; K343-V347 PolarHBondContact O-N 3Å
344A79.4Confident82.5Confident0 Ų057.6 Ų57.60%028%0.28CS..Hα-helixtrans-53.2-44.9-170.200000112.5L177 V180 D339 T342 K346 V347 Q348L177-A344 HydrophobicContact CD1-CB 3.62Å; V180-A344 HydrophobicContact CB-CB 4.05Å; V180-A344 HydrophobicContact CG1-CB 3.75Å; V180-A344 HydrophobicContact CG2-CB 4.42Å; D339-A344 PolarHBondContact O-N 2.95Å; T342-A344 PolarHBondContact O-N 3.3Å; T342-A344 WeakPolarHBondContact OG1-CB 3.4Å; T342-A344 PolarHBondContact OG1-N 3.19Å; A344-K346 PolarHBondContact O-N 3.1Å; A344-V347 PolarHBondContact O-N 3.44Å; A344-Q348 WeakPolarHBondContact O-CB 3.5Å; A344-Q348 PolarHBondContact O-N 2.89Å
345Q78.7Confident81.8Confident101 Ų10160.6 Ų60.647%0.47229%0.293SS..Hα-helixtrans-61.6-41.4177.4-64.3-175.11.400112.4D339 K343 Q348 L349D339-Q345 PolarHBondContact OD2-NE2 3.5Å; K343-Q345 VanDerWaalsContact C-N 3.29Å; K343-Q345 PolarHBondContact O-N 3.48Å; Q345-Q348 PolarHBondContact O-N 3.36Å; Q345-L349 WeakPolarHBondContact O-CB 3.46Å; Q345-L349 VanDerWaalsContact O-CG 3.25Å; Q345-L349 WeakPolarHBondContact O-CG 3.46Å; Q345-L349 PolarHBondContact O-N 3.24Å
346K80.5Confident80.7Confident156 Ų15664.9 Ų64.968%0.67832%0.324SS*.Hα-helixtrans-64.5-42.1177.4-176.9177.1178.8173.70111.2K343 A344 L350K343-K346 HydrophobicContact CB-CB 4.26Å; K343-K346 WeakPolarHBondContact O-CA 3.34Å; K343-K346 WeakPolarHBondContact O-CB 3.43Å; K343-K346 PolarHBondContact O-N 2.86Å; A344-K346 PolarHBondContact O-N 3.1Å; K346-L350 WeakPolarHBondContact O-CB 2.95Å; K346-L350 PolarHBondContact O-N 2.98Å
347V78.5Confident78.9Confident15 Ų1573.9 Ų73.99%0.09135%0.352CS..Hα-helixtrans-68.9-41.3178-179.50000110.9E112 L181 K343 A344 L350 F351E112-V347 HydrophobicContact CG-CG1 4.11Å; L181-V347 HydrophobicContact CD1-CG1 4.49Å; L181-V347 HydrophobicContact CD2-CB 3.97Å; L181-V347 HydrophobicContact CD2-CG1 3.65Å; K343-V347 PolarHBondContact O-N 3Å; A344-V347 PolarHBondContact O-N 3.44Å; V347-L350 WeakPolarHBondContact O-CB 3.5Å; V347-L350 PolarHBondContact O-N 2.92Å; V347-F351 HydrophobicContact CG1-CD1 4.31Å; V347-F351 HydrophobicContact CG1-CE1 3.91Å; V347-F351 HydrophobicContact CG1-CE2 4.24Å; V347-F351 HydrophobicContact CG1-CZ 3.88Å; V347-F351 PolarHBondContact O-N 2.91Å
348Q79.9Confident78.4Confident28 Ų2876.1 Ų76.113%0.13136%0.361CS..Hα-helixtrans-60.5-47175.6-173.2-177.912.200111.4L181 D184 A344 Q345 L350 F351 L352L181-Q348 HydrophobicContact CD2-CB 4.3Å; D184-Q348 PolarHBondContact OD2-NE2 2.7Å; A344-Q348 WeakPolarHBondContact O-CB 3.5Å; A344-Q348 PolarHBondContact O-N 2.89Å; Q345-Q348 PolarHBondContact O-N 3.36Å; Q348-L350 VanDerWaalsContact C-N 3.3Å; Q348-L350 PolarHBondContact O-N 3.18Å; Q348-F351 PolarHBondContact O-N 3.02Å; Q348-F351 VanDerWaalsContact O-N 3.17Å; Q348-L352 HydrophobicContact CG-CD1 4.48Å; Q348-L352 WeakPolarHBondContact O-CG 3.16Å; Q348-L352 PolarHBondContact O-N 3.01Å
349L82.1Confident78Confident116 Ų11680.1 Ų80.161%0.60738%0.38SS*.Hα-helixtrans-60.7-39.8175.6-72.7170.8000112Q345 L352 S353Q345-L349 WeakPolarHBondContact O-CB 3.46Å; Q345-L349 VanDerWaalsContact O-CG 3.25Å; Q345-L349 WeakPolarHBondContact O-CG 3.46Å; Q345-L349 PolarHBondContact O-N 3.24Å; L349-L352 PolarHBondContact O-N 3.42Å; L349-S353 PolarHBondContact O-N 3.03Å
350L81.6Confident77.7Confident92 Ų9284 Ų8448%0.48240%0.398SS..Hα-helixtrans-61-45.8173.8178.565.5000111.2K346 V347 Q348 S353 L354K346-L350 WeakPolarHBondContact O-CB 2.95Å; K346-L350 PolarHBondContact O-N 2.98Å; V347-L350 WeakPolarHBondContact O-CB 3.5Å; V347-L350 PolarHBondContact O-N 2.92Å; Q348-L350 VanDerWaalsContact C-N 3.3Å; Q348-L350 PolarHBondContact O-N 3.18Å; L350-S353 PolarHBondContact O-N 2.84Å; L350-S353 PolarHBondContact O-OG 2.87Å; L350-L354 HydrophobicContact CD1-CD1 4.11Å; L350-L354 HydrophobicContact CD1-CG 4.3Å; L350-L354 HydrophobicContact CG-CD1 3.96Å; L350-L354 WeakPolarHBondContact O-CG 2.96Å; L350-L354 PolarHBondContact O-N 3.34Å
351F82.3Confident77.3Confident16 Ų1678.5 Ų78.57%0.0738%0.38CS..Hα-helixtrans-62.8-43.4177.6-74.93.9000111.9E112 A115 K116 I119 L181 V347 Q348 S353 L354 F355E112-F351 HydrophobicContact CB-CZ 4.44Å; A115-F351 HydrophobicContact CB-CE2 4.23Å; K116-F351 HydrophobicContact CB-CE1 4.4Å; K116-F351 HydrophobicContact CB-CE2 4.11Å; K116-F351 HydrophobicContact CB-CZ 3.78Å; K116-F351 HydrophobicContact CG-CZ 4.37Å; I119-F351 HydrophobicContact CD1-CB 4.2Å; I119-F351 HydrophobicContact CD1-CD2 3.31Å; I119-F351 HydrophobicContact CD1-CE2 3.96Å; I119-F351 HydrophobicContact CD1-CG 4.11Å; L181-F351 HydrophobicContact CD1-CE2 4.26Å; L181-F351 HydrophobicContact CD2-CD2 4.29Å; L181-F351 HydrophobicContact CD2-CE2 4.23Å; V347-F351 HydrophobicContact CG1-CD1 4.31Å; V347-F351 HydrophobicContact CG1-CE1 3.91Å; V347-F351 HydrophobicContact CG1-CE2 4.24Å; V347-F351 HydrophobicContact CG1-CZ 3.88Å; V347-F351 PolarHBondContact O-N 2.91Å; Q348-F351 PolarHBondContact O-N 3.02Å; Q348-F351 VanDerWaalsContact O-N 3.17Å; F351-S353 VanDerWaalsContact C-N 3.3Å; F351-S353 PolarHBondContact O-N 2.79Å; F351-L354 PolarHBondContact O-N 2.81Å; F351-F355 HydrophobicContact CB-CD2 4.06Å; F351-F355 HydrophobicContact CB-CE2 4.2Å; F351-F355 HydrophobicContact CD1-CE2 4.22Å; F351-F355 HydrophobicContact CG-CE2 4.16Å; F351-F355 WeakPolarHBondContact O-CB 2.85Å; F351-F355 WeakPolarHBondContact O-CD2 3.4Å; F351-F355 PolarHBondContact O-N 3.03Å
352L78.2Confident77.4Confident79 Ų7981.4 Ų81.441%0.41440%0.396SS..Hα-helixtrans-56.7-45.6173.8-72.1172000111D184 Q348 L349 L354 F355 S356D184-L352 WeakPolarHBondContact OD2-CD2 3.44Å; Q348-L352 HydrophobicContact CG-CD1 4.48Å; Q348-L352 WeakPolarHBondContact O-CG 3.16Å; Q348-L352 PolarHBondContact O-N 3.01Å; L349-L352 PolarHBondContact O-N 3.42Å; L352-L354 VanDerWaalsContact C-N 3.33Å; L352-L354 PolarHBondContact O-N 2.73Å; L352-F355 PolarHBondContact O-N 3.2Å; L352-S356 WeakPolarHBondContact O-CB 3.16Å; L352-S356 PolarHBondContact O-N 3.27Å; L352-S356 PolarHBondContact O-OG 3.33Å
353S80Confident77.2Confident65 Ų6586.7 Ų86.746%0.45542%0.422SS..Hα-helixtrans-65.4-31.7178.774.90000114.5L349 L350 F351L349-S353 PolarHBondContact O-N 3.03Å; L350-S353 PolarHBondContact O-N 2.84Å; L350-S353 PolarHBondContact O-OG 2.87Å; F351-S353 VanDerWaalsContact C-N 3.3Å; F351-S353 PolarHBondContact O-N 2.79Å
354L81Confident76.9Confident91 Ų9185.5 Ų85.548%0.47642%0.42SS..Hα-helixtrans-82.2-29.4-178.3-72.6172.9000113L350 F351 L352L350-L354 HydrophobicContact CD1-CD1 4.11Å; L350-L354 HydrophobicContact CD1-CG 4.3Å; L350-L354 HydrophobicContact CG-CD1 3.96Å; L350-L354 WeakPolarHBondContact O-CG 2.96Å; L350-L354 PolarHBondContact O-N 3.34Å; F351-L354 PolarHBondContact O-N 2.81Å; L352-L354 VanDerWaalsContact C-N 3.33Å; L352-L354 PolarHBondContact O-N 2.73Å
355F76.7Confident76.7Confident62 Ų6292.1 Ų92.127%0.27245%0.452SS..Hα-helixtrans-116.3-0.6-171.2-56.3-59.8000114.2K116 I119 Q120 F351 L352 R357K116-F355 HydrophobicContact CD-CZ 4.45Å; K116-F355 HydrophobicContact CG-CE2 4.1Å; K116-F355 HydrophobicContact CG-CZ 3.75Å; I119-F355 HydrophobicContact CB-CD2 4.33Å; I119-F355 HydrophobicContact CG2-CB 3.94Å; I119-F355 HydrophobicContact CG2-CD2 3.46Å; I119-F355 VanDerWaalsContact CG2-CD2 3.46Å; I119-F355 HydrophobicContact CG2-CE2 4.11Å; I119-F355 HydrophobicContact CG2-CG 3.74Å; Q120-F355 HydrophobicContact CG-CD1 4.17Å; Q120-F355 HydrophobicContact CG-CE1 3.36Å; Q120-F355 HydrophobicContact CG-CZ 3.64Å; F351-F355 HydrophobicContact CB-CD2 4.06Å; F351-F355 HydrophobicContact CB-CE2 4.2Å; F351-F355 HydrophobicContact CD1-CE2 4.22Å; F351-F355 HydrophobicContact CG-CE2 4.16Å; F351-F355 WeakPolarHBondContact O-CB 2.85Å; F351-F355 WeakPolarHBondContact O-CD2 3.4Å; F351-F355 PolarHBondContact O-N 3.03Å; L352-F355 PolarHBondContact O-N 3.2Å; F355-R357 VanDerWaalsContact C-N 3.26Å
356S67Low76.5Confident97 Ų9791.3 Ų91.368%0.67845%0.451SS*.  trans-82.60170.473.70000113.7L352L352-S356 WeakPolarHBondContact O-CB 3.16Å; L352-S356 PolarHBondContact O-N 3.27Å; L352-S356 PolarHBondContact O-OG 3.33Å
357R50.4Low76.1Confident279 Ų27985.5 Ų85.5100%1.05343%0.43SS*.  trans-1000170.3-63.1-176.5-177.8-168.7-0.4108.7F355F355-R357 VanDerWaalsContact C-N 3.26Å

Retrieved 357 of 357 residues in 1305 ms (Link to these results)

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