A0A096NVQ8_PAPAN Loading...

NADP-retinol dehydrogenase

AlphaFold DB (A0A2K5NL50), UniProt , Accession A0A096NVQ8, Species PAPAN (Papio anubis, Olive baboon), Gene RDH12, Length 316 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
1M59.8Low62.9Low206 Ų206108.9 Ų108.9100%1.01561%0.606SS**  0-45.90-143.6171.68000113T4 L5M1-T4 WeakPolarHBondContact CA-OG1 3.49Å; M1-T4 PolarHBondContact O-OG1 3.18Å; M1-L5 WeakPolarHBondContact O-CB 3.31Å; M1-L5 PolarHBondContact O-N 3.33Å
2L61.1Low63.6Low153 Ų153110.5 Ų110.580%0.80160%0.602SS**Hα-helixtrans-67-40.8177.3-83.7140.9000114.2L5 G6L2-L5 PolarHBondContact O-N 3.33Å; L2-G6 PolarHBondContact O-N 3.24Å
3V62.5Low64.2Low114 Ų114107.5 Ų107.569%0.69160%0.595SS**Hα-helixtrans-65.3-42178.8178.70000111.9G6 L7V3-G6 PolarHBondContact O-N 3.33Å; V3-L7 HydrophobicContact CG1-CD1 4.09Å; V3-L7 WeakPolarHBondContact O-CG 3.49Å; V3-L7 PolarHBondContact O-N 3.11Å
4T62Low64.8Low84 Ų84109.1 Ų109.152%0.51559%0.593SS.*Hα-helixtrans-65.2-38.1175.942.80000112M1 L8M1-T4 WeakPolarHBondContact CA-OG1 3.49Å; M1-T4 PolarHBondContact O-OG1 3.18Å; T4-L8 WeakPolarHBondContact O-CD1 3.5Å; T4-L8 PolarHBondContact O-N 3.47Å; T4-L8 VanDerWaalsContact O-N 3.11Å
5L61Low64.9Low117 Ų117106.7 Ų106.761%0.61358%0.579SS**Hα-helixtrans-68.4-40.9176.6-157.975.9000111.5M1 L2 L8 T9M1-L5 WeakPolarHBondContact O-CB 3.31Å; M1-L5 PolarHBondContact O-N 3.33Å; L2-L5 PolarHBondContact O-N 3.33Å; L5-L8 PolarHBondContact O-N 2.72Å; L5-T9 WeakPolarHBondContact O-CG2 3.48Å; L5-T9 PolarHBondContact O-N 3.46Å; L5-T9 PolarHBondContact O-OG1 3.33Å
6G58.3Low65.3Low37 Ų37112 Ų11238%0.38159%0.59SS.*Hα-helixtrans-66.2-35.9175.700000114.1L2 V3 T9 S10L2-G6 PolarHBondContact O-N 3.24Å; V3-G6 PolarHBondContact O-N 3.33Å; G6-T9 WeakPolarHBondContact CA-OG1 3.48Å; G6-T9 PolarHBondContact O-OG1 2.77Å; G6-T9 VanDerWaalsContact O-OG1 3.07Å; G6-S10 WeakPolarHBondContact O-CB 3.26Å; G6-S10 PolarHBondContact O-N 3.11Å
7L63.1Low65.9Low117 Ų117111.5 Ų111.561%0.61359%0.592SS**Hα-helixtrans-68.8-38.9173.8-72.9168.3000111.9V3 F11V3-L7 HydrophobicContact CG1-CD1 4.09Å; V3-L7 WeakPolarHBondContact O-CG 3.49Å; V3-L7 PolarHBondContact O-N 3.11Å; L7-F11 VanDerWaalsContact O-CB 3.28Å; L7-F11 WeakPolarHBondContact O-CB 3.14Å; L7-F11 PolarHBondContact O-N 2.71Å
8L58.6Low66.4Low94 Ų94107.7 Ų107.749%0.49257%0.574SS.*Hα-helixtrans-66-44.9175.3-100130.8000112.2T4 L5 F11 F12T4-L8 WeakPolarHBondContact O-CD1 3.5Å; T4-L8 PolarHBondContact O-N 3.47Å; T4-L8 VanDerWaalsContact O-N 3.11Å; L5-L8 PolarHBondContact O-N 2.72Å; L8-F11 PolarHBondContact O-N 3.48Å; L8-F12 HydrophobicContact CD2-CD2 4.33Å; L8-F12 HydrophobicContact CD2-CE2 3.59Å; L8-F12 HydrophobicContact CD2-CZ 4.4Å; L8-F12 WeakPolarHBondContact O-CD2 3.46Å; L8-F12 PolarHBondContact O-N 2.94Å
9T67.2Low66.7Low80 Ų80104.5 Ų104.549%0.49156%0.563SS.*Hα-helixtrans-67.4-37.5178.153.70000112.1L5 G6 S13L5-T9 WeakPolarHBondContact O-CG2 3.48Å; L5-T9 PolarHBondContact O-N 3.46Å; L5-T9 PolarHBondContact O-OG1 3.33Å; G6-T9 WeakPolarHBondContact CA-OG1 3.48Å; G6-T9 PolarHBondContact O-OG1 2.77Å; G6-T9 VanDerWaalsContact O-OG1 3.07Å; T9-S13 VanDerWaalsContact O-CB 3.3Å; T9-S13 WeakPolarHBondContact O-CB 3.5Å; T9-S13 PolarHBondContact O-N 3.28Å; T9-S13 PolarHBondContact O-OG 2.96Å
10S68.4Low67Low75 Ų75103.3 Ų103.352%0.52456%0.561SS.*Hα-helixtrans-63.7-42.9173-175.70000111.7G6 S13 F14G6-S10 WeakPolarHBondContact O-CB 3.26Å; G6-S10 PolarHBondContact O-N 3.11Å; S10-S13 PolarHBondContact O-N 3.22Å; S10-F14 VanDerWaalsContact O-CB 3.29Å; S10-F14 WeakPolarHBondContact O-CB 3.49Å; S10-F14 PolarHBondContact O-N 3.12Å
11F69.9Low67.3Low121 Ų121102.2 Ų102.253%0.53156%0.561SS.*Hα-helixtrans-63.4-44.5175.8-179.6-107.2000113L7 L8 F14 L15L7-F11 VanDerWaalsContact O-CB 3.28Å; L7-F11 WeakPolarHBondContact O-CB 3.14Å; L7-F11 PolarHBondContact O-N 2.71Å; L8-F11 PolarHBondContact O-N 3.48Å; F11-F14 PolarHBondContact O-N 3.33Å; F11-L15 HydrophobicContact CD1-CD1 3.71Å; F11-L15 HydrophobicContact CE1-CD1 3.27Å; F11-L15 HydrophobicContact CE1-CG 4.44Å; F11-L15 HydrophobicContact CE2-CD1 4.2Å; F11-L15 HydrophobicContact CG-CD1 4.36Å; F11-L15 HydrophobicContact CZ-CD1 3.55Å; F11-L15 HydrophobicContact CZ-CG 4.37Å; F11-L15 WeakPolarHBondContact O-CB 3.34Å; F11-L15 PolarHBondContact O-N 3.12Å
12F71.6Confident67.8Low128 Ų12895.4 Ų95.456%0.56153%0.529SS*.Hα-helixtrans-67.8-37.3176.1-76.7-62.8000112.8L8 L15 Y16L8-F12 HydrophobicContact CD2-CD2 4.33Å; L8-F12 HydrophobicContact CD2-CE2 3.59Å; L8-F12 HydrophobicContact CD2-CZ 4.4Å; L8-F12 WeakPolarHBondContact O-CD2 3.46Å; L8-F12 PolarHBondContact O-N 2.94Å; F12-L15 PolarHBondContact O-N 3.44Å; F12-Y16 WeakPolarHBondContact O-CB 3.23Å; F12-Y16 PolarHBondContact O-N 3.1Å
13S70.7Confident68.5Low72 Ų7291.5 Ų91.550%0.50350%0.503SS..Hα-helixtrans-65-42.1174.3-59.80000111.4T9 S10 Y16 V17T9-S13 VanDerWaalsContact O-CB 3.3Å; T9-S13 WeakPolarHBondContact O-CB 3.5Å; T9-S13 PolarHBondContact O-N 3.28Å; T9-S13 PolarHBondContact O-OG 2.96Å; S10-S13 PolarHBondContact O-N 3.22Å; S13-Y16 PolarHBondContact O-N 2.95Å; S13-V17 WeakPolarHBondContact O-CG2 3.37Å; S13-V17 PolarHBondContact O-N 3.37Å
14F73.1Confident68.9Low129 Ų12993.9 Ų93.957%0.56650%0.504SS*.Hα-helixtrans-61.8-46.9173.9178.9-100.5000111.8S10 F11 Y16 V17 V18S10-F14 VanDerWaalsContact O-CB 3.29Å; S10-F14 WeakPolarHBondContact O-CB 3.49Å; S10-F14 PolarHBondContact O-N 3.12Å; F11-F14 PolarHBondContact O-N 3.33Å; F14-Y16 VanDerWaalsContact C-N 3.31Å; F14-Y16 PolarHBondContact O-N 3.41Å; F14-V17 PolarHBondContact O-N 3.36Å; F14-V18 HydrophobicContact CD1-CG2 4.35Å; F14-V18 HydrophobicContact CD2-CG2 4.04Å; F14-V18 HydrophobicContact CE1-CG2 4.05Å; F14-V18 HydrophobicContact CE2-CG2 3.72Å; F14-V18 HydrophobicContact CG-CG2 4.35Å; F14-V18 HydrophobicContact CZ-CG2 3.73Å; F14-V18 WeakPolarHBondContact O-CB 3.4Å; F14-V18 VanDerWaalsContact O-CG2 3.28Å; F14-V18 WeakPolarHBondContact O-CG2 3.46Å; F14-V18 PolarHBondContact O-N 3.25Å
15L66.7Low69.4Low73 Ų7397.7 Ų97.738%0.38251%0.514SS..Hα-helixtrans-58.6-41.7173.9-87.6161.7000112.1F11 F12 V17 V18 A19F11-L15 HydrophobicContact CD1-CD1 3.71Å; F11-L15 HydrophobicContact CE1-CD1 3.27Å; F11-L15 HydrophobicContact CE1-CG 4.44Å; F11-L15 HydrophobicContact CE2-CD1 4.2Å; F11-L15 HydrophobicContact CG-CD1 4.36Å; F11-L15 HydrophobicContact CZ-CD1 3.55Å; F11-L15 HydrophobicContact CZ-CG 4.37Å; F11-L15 WeakPolarHBondContact O-CB 3.34Å; F11-L15 PolarHBondContact O-N 3.12Å; F12-L15 PolarHBondContact O-N 3.44Å; L15-V17 VanDerWaalsContact C-N 3.33Å; L15-V17 PolarHBondContact O-N 3.25Å; L15-V18 PolarHBondContact O-N 3.05Å; L15-A19 WeakPolarHBondContact O-CA 3.24Å; L15-A19 WeakPolarHBondContact O-CB 3.3Å; L15-A19 PolarHBondContact O-N 3.13Å
16Y71.6Confident70.1Confident192 Ų19295.7 Ų95.775%0.75350%0.501SS*.Hα-helixtrans-62.6-38.5178-173-94.9000112.5F12 S13 F14 P20F12-Y16 WeakPolarHBondContact O-CB 3.23Å; F12-Y16 PolarHBondContact O-N 3.1Å; S13-Y16 PolarHBondContact O-N 2.95Å; F14-Y16 VanDerWaalsContact C-N 3.31Å; F14-Y16 PolarHBondContact O-N 3.41Å; Y16-P20 WeakPolarHBondContact O-CD 3.28Å
17V74.7Confident71Confident104 Ų10494.7 Ų94.763%0.6349%0.488SS*.Hα-helixtrans-75.3-37.7178.1173.60000112.2S13 F14 L15S13-V17 WeakPolarHBondContact O-CG2 3.37Å; S13-V17 PolarHBondContact O-N 3.37Å; F14-V17 PolarHBondContact O-N 3.36Å; L15-V17 VanDerWaalsContact C-N 3.33Å; L15-V17 PolarHBondContact O-N 3.25Å
18V74.6Confident72.1Confident43 Ų4390.3 Ų90.326%0.26147%0.472SS..Hα-helixtrans-88.4-29.7-173.2179.90000112.5F14 L15 S21 I22F14-V18 HydrophobicContact CD1-CG2 4.35Å; F14-V18 HydrophobicContact CD2-CG2 4.04Å; F14-V18 HydrophobicContact CE1-CG2 4.05Å; F14-V18 HydrophobicContact CE2-CG2 3.72Å; F14-V18 HydrophobicContact CG-CG2 4.35Å; F14-V18 HydrophobicContact CZ-CG2 3.73Å; F14-V18 WeakPolarHBondContact O-CB 3.4Å; F14-V18 VanDerWaalsContact O-CG2 3.28Å; F14-V18 WeakPolarHBondContact O-CG2 3.46Å; F14-V18 PolarHBondContact O-N 3.25Å; L15-V18 PolarHBondContact O-N 3.05Å; V18-S21 WeakPolarHBondContact O-CB 3.26Å; V18-S21 PolarHBondContact O-N 2.97Å; V18-S21 VanDerWaalsContact O-N 3.12Å; V18-I22 HydrophobicContact CG1-CD1 3.62Å; V18-I22 HydrophobicContact CG1-CG1 3.89Å; V18-I22 WeakPolarHBondContact O-CG1 3.4Å; V18-I22 PolarHBondContact O-N 2.85Å
19A73.1Confident73.5Confident46 Ų4686.7 Ų86.738%0.3846%0.457SS..Hα-helixtrans-57.2-40.7-17800000114.5L15 S21 I22 R23L15-A19 WeakPolarHBondContact O-CA 3.24Å; L15-A19 WeakPolarHBondContact O-CB 3.3Å; L15-A19 PolarHBondContact O-N 3.13Å; A19-S21 VanDerWaalsContact C-N 3.34Å; A19-S21 PolarHBondContact O-N 3.2Å; A19-I22 PolarHBondContact O-N 3.47Å; A19-R23 VanDerWaalsContact O-CB 3.31Å; A19-R23 WeakPolarHBondContact O-CB 3.32Å; A19-R23 PolarHBondContact O-N 3.05Å
20P72.9Confident74.7Confident80 Ų8087 Ų8752%0.51946%0.459SS..Hα-helixtrans-61.7-40.4175.1-23.934.1000112.8Y16 R23 K24Y16-P20 WeakPolarHBondContact O-CD 3.28Å; P20-R23 PolarHBondContact O-N 2.83Å; P20-K24 VanDerWaalsContact O-CB 3.3Å; P20-K24 WeakPolarHBondContact O-CB 3.39Å; P20-K24 PolarHBondContact O-N 3.19Å
21S71.7Confident75.9Confident81 Ų8184 Ų8457%0.56644%0.438SS*.Hα-helixtrans-67.6-42.5178-64.80000111.7V18 A19 K24 F25V18-S21 WeakPolarHBondContact O-CB 3.26Å; V18-S21 PolarHBondContact O-N 2.97Å; V18-S21 VanDerWaalsContact O-N 3.12Å; A19-S21 VanDerWaalsContact C-N 3.34Å; A19-S21 PolarHBondContact O-N 3.2Å; S21-K24 PolarHBondContact O-N 2.68Å; S21-F25 WeakPolarHBondContact O-CB 3.16Å; S21-F25 PolarHBondContact O-N 3.18Å
22I70.3Confident77Confident64 Ų6488.8 Ų88.833%0.32845%0.452SS..Hα-helixtrans-59.3-51.4171.5-70.7175.7000109.7V18 A19 K24 F25 F26 F254V18-I22 HydrophobicContact CG1-CD1 3.62Å; V18-I22 HydrophobicContact CG1-CG1 3.89Å; V18-I22 WeakPolarHBondContact O-CG1 3.4Å; V18-I22 PolarHBondContact O-N 2.85Å; A19-I22 PolarHBondContact O-N 3.47Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 3.24Å; I22-F25 WeakPolarHBondContact O-CB 3.13Å; I22-F25 PolarHBondContact O-N 3.24Å; I22-F26 HydrophobicContact CG2-CD2 3.73Å; I22-F26 HydrophobicContact CG2-CE2 3.76Å; I22-F26 WeakPolarHBondContact O-CD2 3.41Å; I22-F26 PolarHBondContact O-N 3.49Å; I22-F254 HydrophobicContact CG2-CD1 4.17Å; I22-F254 HydrophobicContact CG2-CE1 3.64Å
23R77Confident78Confident70 Ų7083.9 Ų83.926%0.26443%0.433SS..Hα-helixtrans-59.4-39.4-179.2-179.261.4-175.984.61.1112.5A19 P20 F26 A27 P253 E260A19-R23 VanDerWaalsContact O-CB 3.31Å; A19-R23 WeakPolarHBondContact O-CB 3.32Å; A19-R23 PolarHBondContact O-N 3.05Å; P20-R23 PolarHBondContact O-N 2.83Å; R23-F26 PolarHBondContact O-N 3.13Å; R23-A27 WeakPolarHBondContact O-CB 3.1Å; R23-A27 PolarHBondContact O-N 3.08Å; R23-P253 VanDerWaalsContact CD-O 3.26Å; R23-P253 WeakPolarHBondContact CD-O 3.37Å; R23-E260 IonicContact CZ-OE1 3.6Å; R23-E260 VanDerWaalsContact CZ-OE1 3.24Å; R23-E260 IonicContact CZ-OE2 3.92Å; R23-E260 IonicContact NH1-OE1 2.82Å; R23-E260 PolarHBondContact NH1-OE1 2.91Å; R23-E260 IonicContact NH1-OE2 3.12Å; R23-E260 PolarHBondContact NH1-OE2 3.37Å; R23-E260 VanDerWaalsContact NH2-CD 3.28Å; R23-E260 IonicContact NH2-OE1 3.2Å; R23-E260 PolarHBondContact NH2-OE1 3.41Å; R23-E260 IonicContact NH2-OE2 3.24Å; R23-E260 PolarHBondContact NH2-OE2 2.86Å
24K70.6Confident79Confident165 Ų16587.2 Ų87.272%0.71745%0.445SS*.Hα-helixtrans-66.8-38.6175.5-173.5177.9-179.1179.30111.9P20 S21 I22 A27P20-K24 VanDerWaalsContact O-CB 3.3Å; P20-K24 WeakPolarHBondContact O-CB 3.39Å; P20-K24 PolarHBondContact O-N 3.19Å; S21-K24 PolarHBondContact O-N 2.68Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 3.24Å; K24-A27 WeakPolarHBondContact O-CB 3.5Å; K24-A27 PolarHBondContact O-N 3.13Å
25F72.8Confident80.1Confident163 Ų16382.7 Ų82.772%0.71543%0.428SS*.Hα-helixtrans-61.3-47.4172.6178.9-96.3000111.3S21 I22 A27 G28S21-F25 WeakPolarHBondContact O-CB 3.16Å; S21-F25 PolarHBondContact O-N 3.18Å; I22-F25 WeakPolarHBondContact O-CB 3.13Å; I22-F25 PolarHBondContact O-N 3.24Å; F25-A27 VanDerWaalsContact C-N 3.33Å; F25-A27 PolarHBondContact O-N 3.46Å; F25-G28 PolarHBondContact O-N 2.74Å
26F75.7Confident81.6Confident76 Ų7684.9 Ų84.933%0.33344%0.436SS..Hα-helixtrans-71.1-24.2178.6-76.5-79.4000114I22 R23 G28 F254 K256I22-F26 HydrophobicContact CG2-CD2 3.73Å; I22-F26 HydrophobicContact CG2-CE2 3.76Å; I22-F26 WeakPolarHBondContact O-CD2 3.41Å; I22-F26 PolarHBondContact O-N 3.49Å; R23-F26 PolarHBondContact O-N 3.13Å; F26-G28 PolarHBondContact O-N 2.82Å; F26-F254 HydrophobicContact CD1-CB 4.23Å; F26-F254 HydrophobicContact CD1-CD1 4.48Å; F26-F254 WeakPolarHBondContact CD1-O 3.49Å; F26-F254 AromaticContact CD2-CD1 3.64Å; F26-F254 HydrophobicContact CD2-CD1 3.64Å; F26-F254 HydrophobicContact CD2-CE1 4.35Å; F26-F254 HydrophobicContact CE1-CB 4.3Å; F26-F254 HydrophobicContact CE1-CD1 4.22Å; F26-F254 AromaticContact CE2-CD1 3.38Å; F26-F254 HydrophobicContact CE2-CD1 3.38Å; F26-F254 AromaticContact CE2-CE1 3.89Å; F26-F254 HydrophobicContact CE2-CE1 3.89Å; F26-F254 HydrophobicContact CG-CB 4.41Å; F26-F254 HydrophobicContact CG-CD1 4.23Å; F26-F254 AromaticContact CZ-CD1 3.68Å; F26-F254 HydrophobicContact CZ-CD1 3.68Å; F26-F254 HydrophobicContact CZ-CE1 4.38Å; F26-K256 WeakPolarHBondContact O-CE 3.42Å; F26-K256 WeakPolarHBondContact O-CG 3.26Å
27A77.9Confident82.9Confident15 Ų1576.3 Ų76.312%0.12440%0.403CS..Hα-helixtrans-59.5-32.3171.500000112.1R23 K24 F25 K256 E260R23-A27 WeakPolarHBondContact O-CB 3.1Å; R23-A27 PolarHBondContact O-N 3.08Å; K24-A27 WeakPolarHBondContact O-CB 3.5Å; K24-A27 PolarHBondContact O-N 3.13Å; F25-A27 VanDerWaalsContact C-N 3.33Å; F25-A27 PolarHBondContact O-N 3.46Å; A27-K256 WeakPolarHBondContact O-CE 3.41Å; A27-K256 PolarHBondContact O-NZ 3.41Å; A27-E260 HydrophobicContact CB-CG 4.17Å; A27-E260 WeakPolarHBondContact CB-OE1 3.23Å
28G84.4Confident83.9Confident26 Ų2676 Ų7627%0.26840%0.404SS..  trans73.9-158.8177.200000113.8F25 F26 D284F25-G28 PolarHBondContact O-N 2.74Å; F26-G28 PolarHBondContact O-N 2.82Å; G28-D284 VanDerWaalsContact CA-OD1 3.22Å; G28-D284 WeakPolarHBondContact CA-OD1 3.4Å
29G88.1Confident84.9Confident18 Ų1876.7 Ų76.719%0.18642%0.419CS..  trans-75.5144.1-175.300000113.3Q263 D284G29-Q263 WeakPolarHBondContact O-CB 3.42Å; G29-D284 PolarHBondContact N-OD1 3.08Å; G29-D284 VanDerWaalsContact N-OD1 3.12Å
30V92.6Very high86.1Confident87 Ų8778 Ų7853%0.52742%0.416SS..  trans-111.3136.7179.8179.20000109.6R32 C285V30-R32 PolarHBondContact O-N 3.18Å; V30-C285 VanDerWaalsContact C-SG 3.52Å
31C94Very high87.3Confident11 Ų1174.5 Ų74.57%0.07439%0.393CS..  trans-71.8119.9171.9-174.20000109T33 Q263 L266 H267C31-T33 WeakPolarHBondContact SG-CG2 3.29Å; C31-Q263 WeakPolarHBondContact CB-O 3.48Å; C31-L266 HydrophobicContact CB-CB 4.12Å; C31-H267 HydrophobicContact CB-CB 4.17Å; C31-H267 WeakPolarHBondContact SG-CA 3.07Å
32R92.8Very high88.6Confident221 Ų22170.6 Ų70.683%0.83437%0.366SS*.  trans-105.97.7-175.7-63.7-175.5177.8-176-2.3114.2V30V30-R32 PolarHBondContact O-N 3.18Å
33T92.6Very high90Very high25 Ų2567.6 Ų67.615%0.15335%0.351CS..  trans-69.6141.8179.3-177.40000111.1C31 V35 R62 L270C31-T33 WeakPolarHBondContact SG-CG2 3.29Å; T33-V35 VanDerWaalsContact OG1-CG2 3.23Å; T33-V35 WeakPolarHBondContact OG1-CG2 3.37Å; T33-V35 PolarHBondContact OG1-N 3.26Å; T33-R62 VanDerWaalsContact O-CZ 3.3Å; T33-R62 PolarHBondContact O-NH1 2.9Å; T33-R62 PolarHBondContact O-NH2 3Å; T33-L270 HydrophobicContact CG2-CB 3.37Å; T33-L270 HydrophobicContact CG2-CD1 3.8Å; T33-L270 HydrophobicContact CG2-CG 4.23Å
34N92.9Very high91Very high142 Ų14264.2 Ų64.276%0.75934%0.338SS*.  trans-105.19.2175-65.9-29.7000112.7Q36N34-Q36 PolarHBondContact O-N 2.79Å; N34-Q36 PolarHBondContact O-NE2 2.79Å
35V96.3Very high92.4Very high34 Ų3456.4 Ų56.421%0.20630%0.304CS..  trans-52.8128.5178.5169.30000110.8T33 L37 R62 E272T33-V35 VanDerWaalsContact OG1-CG2 3.23Å; T33-V35 WeakPolarHBondContact OG1-CG2 3.37Å; T33-V35 PolarHBondContact OG1-N 3.26Å; V35-L37 HydrophobicContact CG1-CD2 4.25Å; V35-R62 WeakPolarHBondContact O-CD 3.33Å; V35-R62 PolarHBondContact O-NH1 2.99Å; V35-E272 HydrophobicContact CG2-CG 4.13Å
36Q97.6Very high93.4Very high119 Ų11949.4 Ų49.456%0.55628%0.278SS*.  trans-92.6156.2171.1-58-57.6-52.400109.9N34 R62N34-Q36 PolarHBondContact O-N 2.79Å; N34-Q36 PolarHBondContact O-NE2 2.79Å; Q36-R62 PolarHBondContact OE1-O 3.03Å
37L97.9Very high94.3Very high13 Ų1345.8 Ų45.87%0.06826%0.262CS..  trans-125.134.9-173.6-68.2-176000114.3V35 G39 K40 L59 R62 G63 A64 I121 L270V35-L37 HydrophobicContact CG1-CD2 4.25Å; L37-G39 PolarHBondContact O-N 3.37Å; L37-K40 HydrophobicContact CB-CB 4.03Å; L37-K40 HydrophobicContact CB-CG 4.24Å; L37-K40 HydrophobicContact CD2-CB 4.18Å; L37-K40 HydrophobicContact CD2-CG 3.95Å; L37-K40 WeakPolarHBondContact O-CB 3.42Å; L37-K40 PolarHBondContact O-N 2.96Å; L37-L59 HydrophobicContact CD1-CB 4.4Å; L37-L59 HydrophobicContact CD1-CD2 3.45Å; L37-L59 VanDerWaalsContact CD1-CD2 3.45Å; L37-R62 WeakPolarHBondContact CA-O 3.38Å; L37-R62 HydrophobicContact CB-CB 4.3Å; L37-R62 HydrophobicContact CG-CB 4.3Å; L37-R62 PolarHBondContact N-O 2.87Å; L37-G63 CarbonylContact O-C 3.46Å; L37-A64 HydrophobicContact CB-CB 3.77Å; L37-A64 HydrophobicContact CD1-CB 3.84Å; L37-A64 WeakPolarHBondContact O-CA 3.44Å; L37-A64 PolarHBondContact O-N 2.88Å; L37-I121 HydrophobicContact CD1-CD1 4.2Å; L37-I121 HydrophobicContact CD2-CD1 4.45Å; L37-L270 HydrophobicContact CD1-CD2 3.61Å; L37-L270 HydrophobicContact CD2-CD2 3.98Å; L37-L270 HydrophobicContact CG-CD2 3.93Å
38P96.7Very high94.9Very high98 Ų9846.5 Ų46.564%0.63626%0.264SS*.THydrogen-bonded Turntrans-58.6131.2178.828.3-35000110.4K40P38-K40 PolarHBondContact O-N 2.75Å
39G94.6Very high95.1Very high57 Ų5747.2 Ų47.259%0.58826%0.263SS*.THydrogen-bonded Turntrans71.80.5-178.500000115.1L37L37-G39 PolarHBondContact O-N 3.37Å
40K98.5Very high95.3Very high72 Ų7247.5 Ų47.531%0.31327%0.266SS..  trans-84.3120.8177.4-60.4-67.4177.2-1760110.7L37 P38 A64 R65 H120L37-K40 HydrophobicContact CB-CB 4.03Å; L37-K40 HydrophobicContact CB-CG 4.24Å; L37-K40 HydrophobicContact CD2-CB 4.18Å; L37-K40 HydrophobicContact CD2-CG 3.95Å; L37-K40 WeakPolarHBondContact O-CB 3.42Å; L37-K40 PolarHBondContact O-N 2.96Å; P38-K40 PolarHBondContact O-N 2.75Å; K40-A64 WeakPolarHBondContact O-CA 3.48Å; K40-R65 PolarHBondContact O-N 3.49Å; K40-H120 HydrophobicContact CB-CB 4.41Å; K40-H120 HydrophobicContact CD-CB 3.98Å; K40-H120 VanDerWaalsContact CD-CD2 3.41Å; K40-H120 WeakPolarHBondContact CD-CD2 3.48Å; K40-H120 VanDerWaalsContact CD-CG 3.43Å; K40-H120 WeakPolarHBondContact CD-NE2 3.47Å; K40-H120 PolarHBondContact NZ-CD2 3.44Å; K40-H120 PolarHBondContact NZ-NE2 2.83Å; K40-H120 VanDerWaalsContact NZ-NE2 3.19Å
41V98.9Very high95.4Very high7 Ų744 Ų444%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-84130.1173.7-173.90000111.3R65 Y67 F112 E116 Q118 H120 I121V41-R65 WeakPolarHBondContact CA-O 3.41Å; V41-Y67 HydrophobicContact CG1-CD2 4.13Å; V41-Y67 HydrophobicContact CG1-CE2 4.11Å; V41-F112 HydrophobicContact CG1-CE2 4.08Å; V41-F112 HydrophobicContact CG1-CZ 3.9Å; V41-E116 HydrophobicContact CG1-CG 4.27Å; V41-Q118 VanDerWaalsContact CB-O 3.31Å; V41-Q118 WeakPolarHBondContact CB-O 3.26Å; V41-Q118 WeakPolarHBondContact CG1-O 3.39Å; V41-Q118 HydrophobicContact CG2-CB 4.32Å; V41-H120 PolarHBondContact N-ND1 3.36Å; V41-H120 VanDerWaalsContact N-ND1 3.18Å; V41-H120 PolarHBondContact O-N 3.29Å; V41-I121 PolarHBondContact O-N 2.76Å
42V98.9Very high95.5Very high0 Ų043.5 Ų43.50%024%0.241CC..EExtended strand (participates in β ladder)trans-131.1133.3-177.1-175.10000110.6I44 L59 A64 R65 Y67 I121V42-I44 HydrophobicContact CG1-CD1 4.27Å; V42-I44 HydrophobicContact CG1-CG1 3.87Å; V42-L59 HydrophobicContact CG1-CD1 3.82Å; V42-A64 HydrophobicContact CG2-CB 3.91Å; V42-R65 PolarHBondContact N-O 3.31Å; V42-Y67 PolarHBondContact O-N 2.87Å; V42-I121 CarbonylContact C-O 3.57Å; V42-I121 VanDerWaalsContact CA-O 3.3Å; V42-I121 WeakPolarHBondContact CA-O 3.28Å; V42-I121 HydrophobicContact CB-CB 4.28Å; V42-I121 HydrophobicContact CG1-CB 3.79Å; V42-I121 HydrophobicContact CG1-CG2 4.03Å; V42-I121 HydrophobicContact CG2-CB 3.95Å; V42-I121 HydrophobicContact CG2-CD1 4Å; V42-I121 HydrophobicContact CG2-CG1 4.21Å
43V98.9Very high95.7Very high0 Ų034.4 Ų34.40%021%0.208CC..EExtended strand (participates in β ladder)trans-111.9130.6171.21730000109.4Y67 A69 F108 F112 L119 I121 L122 I123V43-Y67 HydrophobicContact CG2-CG 4.42Å; V43-A69 HydrophobicContact CG1-CB 4.22Å; V43-F108 HydrophobicContact CG1-CE1 4.2Å; V43-F108 HydrophobicContact CG1-CZ 3.78Å; V43-F108 HydrophobicContact CG2-CZ 4.46Å; V43-F112 HydrophobicContact CG2-CD2 3.99Å; V43-F112 HydrophobicContact CG2-CE1 4.45Å; V43-F112 HydrophobicContact CG2-CE2 3.45Å; V43-F112 VanDerWaalsContact CG2-CE2 3.45Å; V43-F112 HydrophobicContact CG2-CZ 3.74Å; V43-L119 HydrophobicContact CB-CD1 4.09Å; V43-L119 HydrophobicContact CG2-CD1 3.69Å; V43-I121 PolarHBondContact N-O 2.89Å; V43-L122 HydrophobicContact CB-CD1 3.96Å; V43-L122 HydrophobicContact CG1-CD1 3.84Å; V43-I123 PolarHBondContact O-N 3.38Å
44I98.9Very high96Very high0 Ų035.4 Ų35.40%021%0.211CC..EExtended strand (participates in β ladder)trans-129.2118.7178.1-47.8172.5000109.2V42 A47 T55 A56 L59 V66 Y67 A69 I123 N125V42-I44 HydrophobicContact CG1-CD1 4.27Å; V42-I44 HydrophobicContact CG1-CG1 3.87Å; I44-A47 HydrophobicContact CB-CB 3.85Å; I44-A47 HydrophobicContact CG2-CB 3.71Å; I44-T55 HydrophobicContact CD1-CG2 4.2Å; I44-A56 HydrophobicContact CD1-CB 3.8Å; I44-L59 HydrophobicContact CD1-CD1 3.78Å; I44-V66 HydrophobicContact CD1-CG1 3.92Å; I44-V66 HydrophobicContact CG1-CG1 4.47Å; I44-Y67 PolarHBondContact N-O 2.83Å; I44-A69 PolarHBondContact O-N 2.86Å; I44-I123 HydrophobicContact CB-CB 4.42Å; I44-I123 HydrophobicContact CD1-CD1 4.42Å; I44-I123 HydrophobicContact CG1-CB 4.2Å; I44-I123 HydrophobicContact CG1-CD1 4.21Å; I44-I123 HydrophobicContact CG1-CG1 4.35Å; I44-I123 HydrophobicContact CG2-CB 4.08Å; I44-I123 HydrophobicContact CG2-CG2 4.27Å; I44-N125 HydrophobicContact CG2-CB 4.21Å
45T98.8Very high96.2Very high0 Ų028.6 Ų28.60%017%0.174CC..EExtended strand (participates in β ladder)trans-77.7136.2175.968.50000110.7A47 A69 L97 I123 N125 A126 H151 L154T45-A47 PolarHBondContact O-N 3.27Å; T45-A69 CarbonylContact C-O 3.19Å; T45-A69 WeakPolarHBondContact CA-O 3.15Å; T45-L97 HydrophobicContact CG2-CD2 3.64Å; T45-I123 PolarHBondContact N-O 3.38Å; T45-I123 PolarHBondContact OG1-O 3.04Å; T45-N125 WeakPolarHBondContact O-CB 3.19Å; T45-N125 PolarHBondContact O-ND2 3.07Å; T45-N125 PolarHBondContact OG1-N 2.83Å; T45-A126 PolarHBondContact O-N 3.47Å; T45-A126 VanDerWaalsContact O-N 3.11Å; T45-A126 WeakPolarHBondContact OG1-CB 3.31Å; T45-A126 PolarHBondContact OG1-N 3.35Å; T45-H151 PolarHBondContact OG1-NE2 2.89Å; T45-L154 HydrophobicContact CG2-CD2 3.44Å; T45-L154 VanDerWaalsContact CG2-CD2 3.44Å
46G94.5Very high96.3Very high17 Ų1727 Ų2718%0.17517%0.165CC..THydrogen-bonded Turntrans65.736.3177.400000113.8N48 A69 N125G46-N48 VanDerWaalsContact C-N 3.33Å; G46-A69 PolarHBondContact N-O 2.89Å; G46-N125 PolarHBondContact O-ND2 3.36Å
47A94.1Very high96.4Very high0 Ų023.7 Ų23.70%015%0.147CC..THydrogen-bonded Turntrans-88.911.8-179.200000115.1I44 T45 K53 A56 I68I44-A47 HydrophobicContact CB-CB 3.85Å; I44-A47 HydrophobicContact CG2-CB 3.71Å; T45-A47 PolarHBondContact O-N 3.27Å; A47-K53 WeakPolarHBondContact O-CA 3.42Å; A47-K53 WeakPolarHBondContact O-CB 3.48Å; A47-K53 PolarHBondContact O-N 2.88Å; A47-A56 HydrophobicContact CB-CB 4.15Å; A47-I68 HydrophobicContact CB-CB 4.33Å; A47-I68 HydrophobicContact CB-CG1 4.07Å; A47-I68 HydrophobicContact CB-CG2 3.98Å
48N90.2Very high96.4Very high29 Ų2925.5 Ų25.516%0.15516%0.155CC..THydrogen-bonded Turntrans-78.5-18.4176.161.9-56.5000113.1G46 C70 K75 A79G46-N48 VanDerWaalsContact C-N 3.33Å; N48-C70 HydrophobicContact CB-CB 4.14Å; N48-K75 HydrophobicContact CB-CB 4.47Å; N48-A79 WeakPolarHBondContact O-CB 3.37Å
49T90.1Very high96.5Very high41 Ų4120.9 Ų20.925%0.25213%0.125SC..SBendtrans-145.4169.917769.20000112.2G52 K53T49-G52 PolarHBondContact O-N 3.33Å; T49-K53 PolarHBondContact O-N 3.41Å
50G92.2Very high96.7Very high24 Ų2418.2 Ų18.225%0.24710%0.097CC..Hα-helixtrans54.6-139.2166.800000114.8G52 K53 E54G50-G52 VanDerWaalsContact C-N 3.27Å; G50-G52 PolarHBondContact O-N 3.48Å; G50-K53 PolarHBondContact O-N 3.43Å; G50-E54 PolarHBondContact O-N 3.1Å; G50-E54 VanDerWaalsContact O-N 3.16Å
51I93.4Very high96.7Very high14 Ų1417.4 Ų17.47%0.07210%0.101CC..Hα-helixtrans-57.3-41.3-175.4-61.5160.6000111.5E54 T55 P230 V233 A262I51-E54 PolarHBondContact O-N 3.02Å; I51-T55 WeakPolarHBondContact O-CB 3.44Å; I51-T55 PolarHBondContact O-N 3.39Å; I51-T55 PolarHBondContact O-OG1 3.33Å; I51-P230 HydrophobicContact CD1-CB 3.68Å; I51-P230 HydrophobicContact CD1-CG 3.82Å; I51-V233 HydrophobicContact CD1-CB 3.91Å; I51-V233 HydrophobicContact CD1-CG1 3.95Å; I51-V233 HydrophobicContact CD1-CG2 3.88Å; I51-V233 HydrophobicContact CG1-CB 4.27Å; I51-V233 HydrophobicContact CG1-CG1 3.74Å; I51-V233 HydrophobicContact CG1-CG2 4.28Å; I51-A262 HydrophobicContact CG2-CB 4.24Å
52G96.2Very high96.7Very high1 Ų118.1 Ų18.11%0.0110%0.103CC..Hα-helixtrans-63.5-42.9-179.700000112.1T49 G50 T55 A56 N125T49-G52 PolarHBondContact O-N 3.33Å; G50-G52 VanDerWaalsContact C-N 3.27Å; G50-G52 PolarHBondContact O-N 3.48Å; G52-T55 PolarHBondContact O-N 3.39Å; G52-A56 WeakPolarHBondContact O-CB 3.25Å; G52-A56 PolarHBondContact O-N 3.08Å; G52-N125 WeakPolarHBondContact CA-ND2 3.38Å
53K97.8Very high96.6Very high30 Ų3019.8 Ų19.813%0.1312%0.12CC..Hα-helixtrans-62.7-44.5176.7-174.6177.6176.5175.60112.1A47 T49 G50 T55 A56 R57 A79 E82 I83A47-K53 WeakPolarHBondContact O-CA 3.42Å; A47-K53 WeakPolarHBondContact O-CB 3.48Å; A47-K53 PolarHBondContact O-N 2.88Å; T49-K53 PolarHBondContact O-N 3.41Å; G50-K53 PolarHBondContact O-N 3.43Å; K53-T55 VanDerWaalsContact C-N 3.34Å; K53-T55 PolarHBondContact O-N 2.81Å; K53-A56 WeakPolarHBondContact O-CB 3.48Å; K53-A56 PolarHBondContact O-N 3.08Å; K53-R57 PolarHBondContact O-N 2.84Å; K53-A79 HydrophobicContact CD-CB 3.95Å; K53-A79 HydrophobicContact CG-CB 4.3Å; K53-E82 IonicContact NZ-OE1 2.64Å; K53-E82 PolarHBondContact NZ-OE1 3.47Å; K53-E82 IonicContact NZ-OE2 3.38Å; K53-E82 PolarHBondContact NZ-OE2 2.81Å; K53-I83 HydrophobicContact CG-CD1 4.08Å
54E98.1Very high96.6Very high45 Ų4519.8 Ų19.821%0.2112%0.12CC..Hα-helixtrans-66.7-36.4176.7-64.5-59.3148.500112.3G50 I51 R57 E58 A258 R259 A262G50-E54 PolarHBondContact O-N 3.1Å; G50-E54 VanDerWaalsContact O-N 3.16Å; I51-E54 PolarHBondContact O-N 3.02Å; E54-R57 PolarHBondContact O-N 3.16Å; E54-R57 IonicContact OE1-CZ 3.53Å; E54-R57 IonicContact OE1-NH1 2.96Å; E54-R57 PolarHBondContact OE1-NH1 2.96Å; E54-R57 IonicContact OE2-NH1 2.79Å; E54-R57 PolarHBondContact OE2-NH1 2.81Å; E54-E58 PolarHBondContact O-N 3.41Å; E54-A258 HydrophobicContact CG-CB 3.57Å; E54-R259 HydrophobicContact CG-CB 4.33Å; E54-A262 HydrophobicContact CB-CB 4.04Å
55T98.4Very high96.6Very high0 Ų022.9 Ų22.90%013%0.131CC..Hα-helixtrans-64.2-44173.8-53.50000110.6I44 I51 G52 K53 E58 L59 I123 A262 L266I44-T55 HydrophobicContact CD1-CG2 4.2Å; I51-T55 WeakPolarHBondContact O-CB 3.44Å; I51-T55 PolarHBondContact O-N 3.39Å; I51-T55 PolarHBondContact O-OG1 3.33Å; G52-T55 PolarHBondContact O-N 3.39Å; K53-T55 VanDerWaalsContact C-N 3.34Å; K53-T55 PolarHBondContact O-N 2.81Å; T55-E58 PolarHBondContact O-N 3.36Å; T55-L59 HydrophobicContact CG2-CD1 3.88Å; T55-L59 WeakPolarHBondContact O-CD1 3.28Å; T55-L59 VanDerWaalsContact O-CG 3.28Å; T55-L59 WeakPolarHBondContact O-CG 3.45Å; T55-L59 PolarHBondContact O-N 3.11Å; T55-L59 VanDerWaalsContact O-N 3.08Å; T55-I123 HydrophobicContact CG2-CD1 3.56Å; T55-A262 WeakPolarHBondContact OG1-CB 3.29Å; T55-L266 HydrophobicContact CG2-CD2 4.02Å; T55-L266 HydrophobicContact CG2-CG 4.32Å
56A98.8Very high96.6Very high0 Ų022.9 Ų22.90%013%0.131CC..Hα-helixtrans-61.1-44.4175.200000111.9I44 A47 G52 K53 L59 A60 V66 I68 I83I44-A56 HydrophobicContact CD1-CB 3.8Å; A47-A56 HydrophobicContact CB-CB 4.15Å; G52-A56 WeakPolarHBondContact O-CB 3.25Å; G52-A56 PolarHBondContact O-N 3.08Å; K53-A56 WeakPolarHBondContact O-CB 3.48Å; K53-A56 PolarHBondContact O-N 3.08Å; A56-L59 PolarHBondContact O-N 3.22Å; A56-A60 VanDerWaalsContact O-CB 3.26Å; A56-A60 WeakPolarHBondContact O-CB 3.38Å; A56-A60 PolarHBondContact O-N 3.19Å; A56-V66 HydrophobicContact CB-CG1 3.93Å; A56-I68 HydrophobicContact CB-CG1 4.44Å; A56-I83 HydrophobicContact CB-CD1 3.83Å
57R98.6Very high96.8Very high50 Ų5022 Ų2219%0.18912%0.123CC..Hα-helixtrans-58.9-48.8178.1-172.4-175.5-78.3119.2-6.4112K53 E54 A60 S61 I83 D86 T87K53-R57 PolarHBondContact O-N 2.84Å; E54-R57 PolarHBondContact O-N 3.16Å; E54-R57 IonicContact OE1-CZ 3.53Å; E54-R57 IonicContact OE1-NH1 2.96Å; E54-R57 PolarHBondContact OE1-NH1 2.96Å; E54-R57 IonicContact OE2-NH1 2.79Å; E54-R57 PolarHBondContact OE2-NH1 2.81Å; R57-A60 PolarHBondContact O-N 3.01Å; R57-S61 PolarHBondContact O-N 2.93Å; R57-S61 PolarHBondContact O-OG 3.2Å; R57-I83 HydrophobicContact CB-CD1 4.46Å; R57-I83 HydrophobicContact CB-CG1 4.07Å; R57-I83 HydrophobicContact CB-CG2 4.33Å; R57-I83 HydrophobicContact CG-CG1 4.45Å; R57-I83 HydrophobicContact CG-CG2 4.4Å; R57-D86 IonicContact CZ-OD2 2.83Å; R57-D86 IonicContact NE-OD2 2.66Å; R57-D86 PolarHBondContact NE-OD2 3.15Å; R57-D86 IonicContact NH2-OD2 2.77Å; R57-D86 PolarHBondContact NH2-OD2 3.23Å; R57-T87 HydrophobicContact CG-CG2 3.86Å; R57-T87 WeakPolarHBondContact O-CG2 3.5Å
58E98.4Very high97.1Very high51 Ų5122 Ų2224%0.23812%0.123CC..Hα-helixtrans-68.6-34-178.7-178.566-159.500112.7E54 T55 S61 R62 L266E54-E58 PolarHBondContact O-N 3.41Å; T55-E58 PolarHBondContact O-N 3.36Å; E58-S61 PolarHBondContact O-OG 3.02Å; E58-R62 WeakPolarHBondContact O-CD 3.16Å; E58-R62 VanDerWaalsContact O-CG 3.3Å; E58-R62 WeakPolarHBondContact O-CG 3.22Å; E58-R62 PolarHBondContact O-N 3.3Å; E58-R62 IonicContact OE1-CZ 3.43Å; E58-R62 VanDerWaalsContact OE1-CZ 3.22Å; E58-R62 IonicContact OE1-NE 2.81Å; E58-R62 PolarHBondContact OE1-NE 3.03Å; E58-R62 IonicContact OE1-NH2 3.22Å; E58-R62 PolarHBondContact OE1-NH2 2.83Å; E58-L266 HydrophobicContact CB-CD1 3.88Å; E58-L266 HydrophobicContact CB-CD2 3.79Å; E58-L266 HydrophobicContact CB-CG 4.49Å; E58-L266 HydrophobicContact CG-CD1 3.7Å; E58-L266 HydrophobicContact CG-CD2 3.68Å; E58-L266 HydrophobicContact CG-CG 4.3Å
59L98.7Very high97.5Very high0 Ų020.7 Ų20.70%012%0.116CC..Hα-helixtrans-72.9-37.9175.8-66.9166.9000111.3L37 V42 I44 T55 A56 R62 A64 V66 I123 L266 L270L37-L59 HydrophobicContact CD1-CB 4.4Å; L37-L59 HydrophobicContact CD1-CD2 3.45Å; L37-L59 VanDerWaalsContact CD1-CD2 3.45Å; V42-L59 HydrophobicContact CG1-CD1 3.82Å; I44-L59 HydrophobicContact CD1-CD1 3.78Å; T55-L59 HydrophobicContact CG2-CD1 3.88Å; T55-L59 WeakPolarHBondContact O-CD1 3.28Å; T55-L59 VanDerWaalsContact O-CG 3.28Å; T55-L59 WeakPolarHBondContact O-CG 3.45Å; T55-L59 PolarHBondContact O-N 3.11Å; T55-L59 VanDerWaalsContact O-N 3.08Å; A56-L59 PolarHBondContact O-N 3.22Å; L59-R62 PolarHBondContact O-N 3.37Å; L59-A64 HydrophobicContact CB-CB 4.31Å; L59-A64 WeakPolarHBondContact O-CB 3.35Å; L59-A64 PolarHBondContact O-N 3.46Å; L59-A64 VanDerWaalsContact O-N 3.15Å; L59-V66 HydrophobicContact CB-CG2 4.11Å; L59-I123 HydrophobicContact CD1-CD1 3.77Å; L59-L266 HydrophobicContact CD2-CD2 4.1Å; L59-L266 HydrophobicContact CG-CD2 3.93Å; L59-L270 HydrophobicContact CD2-CD1 4.23Å; L59-L270 HydrophobicContact CD2-CD2 3.79Å; L59-L270 HydrophobicContact CD2-CG 4.1Å
60A98.7Very high97.8Very high1 Ų118.9 Ų18.91%0.00811%0.105CC..Hα-helixtrans-66.6-39.9174.800000112.2A56 R57 R62 G63 V66 I83 T87 N89 V92A56-A60 VanDerWaalsContact O-CB 3.26Å; A56-A60 WeakPolarHBondContact O-CB 3.38Å; A56-A60 PolarHBondContact O-N 3.19Å; R57-A60 PolarHBondContact O-N 3.01Å; A60-R62 PolarHBondContact O-N 3.33Å; A60-G63 PolarHBondContact O-N 2.93Å; A60-V66 HydrophobicContact CB-CG2 4.07Å; A60-I83 HydrophobicContact CB-CG2 3.72Å; A60-T87 HydrophobicContact CB-CG2 4.19Å; A60-N89 PolarHBondContact O-ND2 3.26Å; A60-V92 HydrophobicContact CB-CG2 3.75Å
61S98.3Very high98Very high56 Ų5625 Ų2539%0.39212%0.121SC..Hα-helixtrans-62.9-23.1175.968.40000113.1R57 E58 G63R57-S61 PolarHBondContact O-N 2.93Å; R57-S61 PolarHBondContact O-OG 3.2Å; E58-S61 PolarHBondContact O-OG 3.02Å; S61-G63 VanDerWaalsContact C-N 3.29Å
62R98.3Very high98.1Very high22 Ų2227.2 Ų27.28%0.08313%0.133CC..THydrogen-bonded Turntrans-85.94.2173.4-66.9167.3-176.3-102.5-1.2113.4T33 V35 Q36 L37 E58 L59 A60T33-R62 VanDerWaalsContact O-CZ 3.3Å; T33-R62 PolarHBondContact O-NH1 2.9Å; T33-R62 PolarHBondContact O-NH2 3Å; V35-R62 WeakPolarHBondContact O-CD 3.33Å; V35-R62 PolarHBondContact O-NH1 2.99Å; Q36-R62 PolarHBondContact OE1-O 3.03Å; L37-R62 WeakPolarHBondContact CA-O 3.38Å; L37-R62 HydrophobicContact CB-CB 4.3Å; L37-R62 HydrophobicContact CG-CB 4.3Å; L37-R62 PolarHBondContact N-O 2.87Å; E58-R62 WeakPolarHBondContact O-CD 3.16Å; E58-R62 VanDerWaalsContact O-CG 3.3Å; E58-R62 WeakPolarHBondContact O-CG 3.22Å; E58-R62 PolarHBondContact O-N 3.3Å; E58-R62 IonicContact OE1-CZ 3.43Å; E58-R62 VanDerWaalsContact OE1-CZ 3.22Å; E58-R62 IonicContact OE1-NE 2.81Å; E58-R62 PolarHBondContact OE1-NE 3.03Å; E58-R62 IonicContact OE1-NH2 3.22Å; E58-R62 PolarHBondContact OE1-NH2 2.83Å; L59-R62 PolarHBondContact O-N 3.37Å; A60-R62 PolarHBondContact O-N 3.33Å
63G98.3Very high98.2Very high34 Ų3429.8 Ų29.835%0.35115%0.148SC..THydrogen-bonded Turntrans87.911177.300000115.4L37 A60 S61L37-G63 CarbonylContact O-C 3.46Å; A60-G63 PolarHBondContact O-N 2.93Å; S61-G63 VanDerWaalsContact C-N 3.29Å
64A98.7Very high98.2Very high0 Ų035.3 Ų35.30%018%0.178CC..  trans-68.6150.4175.400000111.9L37 K40 V42 L59 V66 N89L37-A64 HydrophobicContact CB-CB 3.77Å; L37-A64 HydrophobicContact CD1-CB 3.84Å; L37-A64 WeakPolarHBondContact O-CA 3.44Å; L37-A64 PolarHBondContact O-N 2.88Å; K40-A64 WeakPolarHBondContact O-CA 3.48Å; V42-A64 HydrophobicContact CG2-CB 3.91Å; L59-A64 HydrophobicContact CB-CB 4.31Å; L59-A64 WeakPolarHBondContact O-CB 3.35Å; L59-A64 PolarHBondContact O-N 3.46Å; L59-A64 VanDerWaalsContact O-N 3.15Å; A64-V66 HydrophobicContact CB-CG2 3.91Å; A64-N89 PolarHBondContact O-ND2 2.82Å
65R98.8Very high98.1Very high65 Ų6538.5 Ų38.525%0.24519%0.191CC..EExtended strand (participates in β ladder)trans-86.1111.5162.7178163.4169.9117.5-7.6108.5K40 V41 V42 Y67 Q91 L93 E116K40-R65 PolarHBondContact O-N 3.49Å; V41-R65 WeakPolarHBondContact CA-O 3.41Å; V42-R65 PolarHBondContact N-O 3.31Å; R65-Y67 HydrophobicContact CG-CE2 4.18Å; R65-Y67 PolarHBondContact NH2-OH 2.91Å; R65-Q91 CarbonylContact C-O 3.52Å; R65-Q91 WeakPolarHBondContact CA-O 3.31Å; R65-Q91 HydrophobicContact CB-CB 4.01Å; R65-Q91 HydrophobicContact CG-CB 4.03Å; R65-L93 HydrophobicContact CG-CD1 3.71Å; R65-E116 IonicContact CZ-OE1 3.11Å; R65-E116 IonicContact NE-OE1 3.05Å; R65-E116 PolarHBondContact NE-OE1 2.84Å; R65-E116 IonicContact NH2-OE1 2.79Å; R65-E116 PolarHBondContact NH2-OE1 2.77Å
66V98.9Very high98.1Very high0 Ų038.5 Ų38.50%019%0.191CC..EExtended strand (participates in β ladder)trans-110.4123.8-168.7-178.40000111I44 A56 L59 A60 A64 Q91 V92 L93I44-V66 HydrophobicContact CD1-CG1 3.92Å; I44-V66 HydrophobicContact CG1-CG1 4.47Å; A56-V66 HydrophobicContact CB-CG1 3.93Å; L59-V66 HydrophobicContact CB-CG2 4.11Å; A60-V66 HydrophobicContact CB-CG2 4.07Å; A64-V66 HydrophobicContact CB-CG2 3.91Å; V66-Q91 PolarHBondContact N-O 3.5Å; V66-V92 CarbonylContact O-C 3.43Å; V66-V92 WeakPolarHBondContact O-CA 3.43Å; V66-L93 PolarHBondContact O-N 3.21Å
67Y98.8Very high98.1Very high0 Ų041.8 Ų41.80%021%0.207CC..EExtended strand (participates in β ladder)trans-96.7109.8170.8-79.3-100.1000110.1V41 V42 V43 I44 R65 A69 L93 R95 F112 E115 E116V41-Y67 HydrophobicContact CG1-CD2 4.13Å; V41-Y67 HydrophobicContact CG1-CE2 4.11Å; V42-Y67 PolarHBondContact O-N 2.87Å; V43-Y67 HydrophobicContact CG2-CG 4.42Å; I44-Y67 PolarHBondContact N-O 2.83Å; R65-Y67 HydrophobicContact CG-CE2 4.18Å; R65-Y67 PolarHBondContact NH2-OH 2.91Å; Y67-A69 PolarHBondContact O-N 2.85Å; Y67-L93 CarbonylContact C-O 3.6Å; Y67-L93 WeakPolarHBondContact CA-O 3.35Å; Y67-L93 HydrophobicContact CD1-CB 4.21Å; Y67-L93 HydrophobicContact CD2-CD1 4.35Å; Y67-L93 HydrophobicContact CE1-CB 4.14Å; Y67-L93 HydrophobicContact CE2-CD1 3.92Å; Y67-R95 HydrophobicContact CD1-CG 3.74Å; Y67-R95 HydrophobicContact CE1-CG 3.93Å; Y67-F112 HydrophobicContact CD1-CD2 4.04Å; Y67-F112 HydrophobicContact CD1-CE2 4.28Å; Y67-F112 HydrophobicContact CD2-CD2 4.39Å; Y67-F112 AromaticContact CD2-CE2 3.81Å; Y67-F112 HydrophobicContact CD2-CE2 3.81Å; Y67-F112 HydrophobicContact CE1-CD2 4.05Å; Y67-F112 HydrophobicContact CE1-CE2 4.35Å; Y67-F112 HydrophobicContact CE2-CD2 4.41Å; Y67-F112 AromaticContact CE2-CE2 3.89Å; Y67-F112 HydrophobicContact CE2-CE2 3.89Å; Y67-F112 HydrophobicContact CG-CD2 4.22Å; Y67-F112 HydrophobicContact CG-CE2 4.02Å; Y67-E115 PolarHBondContact OH-OE2 3.23Å; Y67-E116 HydrophobicContact CE2-CG 3.67Å; Y67-E116 WeakPolarHBondContact CE2-OE1 3.22Å; Y67-E116 VanDerWaalsContact OH-CG 3.24Å; Y67-E116 WeakPolarHBondContact OH-CG 3.34Å; Y67-E116 PolarHBondContact OH-OE1 2.83Å
68I98.7Very high98Very high0 Ų042.6 Ų42.60%022%0.22CC..EExtended strand (participates in β ladder)trans-78.6101.3167.1-62.5-176.6000107.4A47 A56 C70 A80 I83 V92 L93 V94 R95A47-I68 HydrophobicContact CB-CB 4.33Å; A47-I68 HydrophobicContact CB-CG1 4.07Å; A47-I68 HydrophobicContact CB-CG2 3.98Å; A56-I68 HydrophobicContact CB-CG1 4.44Å; I68-C70 HydrophobicContact CG2-CB 4.49Å; I68-A80 HydrophobicContact CD1-CB 4.04Å; I68-I83 HydrophobicContact CD1-CD1 3.99Å; I68-V92 HydrophobicContact CD1-CG1 3.83Å; I68-V92 HydrophobicContact CG1-CG1 4.14Å; I68-L93 PolarHBondContact N-O 3.35Å; I68-V94 HydrophobicContact CB-CG2 4.34Å; I68-V94 WeakPolarHBondContact O-CA 3.31Å; I68-R95 PolarHBondContact O-N 3.31Å
69A98.6Very high98Very high1 Ų140.3 Ų40.31%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-95.5106.2177.900000109.5V43 I44 T45 G46 Y67 R95 L97 F108V43-A69 HydrophobicContact CG1-CB 4.22Å; I44-A69 PolarHBondContact O-N 2.86Å; T45-A69 CarbonylContact C-O 3.19Å; T45-A69 WeakPolarHBondContact CA-O 3.15Å; G46-A69 PolarHBondContact N-O 2.89Å; Y67-A69 PolarHBondContact O-N 2.85Å; A69-R95 WeakPolarHBondContact CA-O 3.46Å; A69-L97 HydrophobicContact CB-CB 3.95Å; A69-L97 HydrophobicContact CB-CD2 3.63Å; A69-L97 HydrophobicContact CB-CG 4.45Å; A69-F108 HydrophobicContact CB-CD2 4.31Å; A69-F108 HydrophobicContact CB-CE2 3.48Å; A69-F108 VanDerWaalsContact CB-CE2 3.48Å; A69-F108 HydrophobicContact CB-CZ 3.71Å
70C97.4Very high98Very high3 Ų340.3 Ų40.32%0.0221%0.209CC..EExtended strand (participates in β ladder)trans-146.8159-175.462.20000113.3N48 I68 D72 R95 K96 L97N48-C70 HydrophobicContact CB-CB 4.14Å; I68-C70 HydrophobicContact CG2-CB 4.49Å; C70-D72 PolarHBondContact SG-O 2.83Å; C70-R95 PolarHBondContact N-O 3.35Å; C70-R95 VanDerWaalsContact N-O 3.14Å; C70-K96 WeakPolarHBondContact O-CA 3.4Å; C70-L97 CarbonylContact C-O 3.49Å; C70-L97 PolarHBondContact O-N 2.97Å
71R95.4Very high98Very high153 Ų15343.1 Ų43.158%0.57723%0.229SC*.SBendtrans-70.8-43.4-178.9-177.7178.867.2-175.23.5112.7L97 D98R71-L97 WeakPolarHBondContact CA-O 3.47Å; R71-L97 PolarHBondContact N-O 3.09Å; R71-D98 HydrophobicContact CB-CB 4.5Å; R71-D98 WeakPolarHBondContact CD-OD2 3.31Å; R71-D98 HydrophobicContact CG-CB 4.11Å; R71-D98 WeakPolarHBondContact CG-OD2 3.13Å
72D96.8Very high98Very high60 Ų6044.4 Ų44.432%0.32123%0.229SC..  trans-93.998.3-179.6-174.9-25.3000109C70 L74 K75 G76C70-D72 PolarHBondContact SG-O 2.83Å; D72-L74 VanDerWaalsContact C-N 3.34Å; D72-L74 PolarHBondContact OD1-N 3.21Å; D72-K75 HydrophobicContact CB-CB 4.21Å; D72-K75 HydrophobicContact CB-CD 4.45Å; D72-K75 HydrophobicContact CB-CG 4.47Å; D72-K75 PolarHBondContact OD1-N 3.33Å; D72-K75 WeakPolarHBondContact OD2-CD 3.24Å; D72-K75 VanDerWaalsContact OD2-CE 3.27Å; D72-K75 WeakPolarHBondContact OD2-CE 3.44Å; D72-K75 VanDerWaalsContact OD2-CG 3.3Å; D72-K75 WeakPolarHBondContact OD2-CG 3.03Å; D72-G76 PolarHBondContact O-N 2.89Å
73V97.6Very high98Very high55 Ų5543.3 Ų43.333%0.33323%0.225SC..Hα-helixtrans-67.4-35.7-175.61780000111.4G76 E77 V94 K96V73-G76 CarbonylContact O-C 3.59Å; V73-G76 WeakPolarHBondContact O-CA 3.47Å; V73-G76 PolarHBondContact O-N 2.89Å; V73-G76 VanDerWaalsContact O-N 3.13Å; V73-E77 HydrophobicContact CG1-CG 4.4Å; V73-E77 PolarHBondContact O-N 3.32Å; V73-V94 HydrophobicContact CG1-CG1 4.15Å; V73-K96 HydrophobicContact CG2-CB 3.73Å; V73-K96 HydrophobicContact CG2-CG 4.12Å
74L97.7Very high98.1Very high146 Ų14645.2 Ų45.276%0.76422%0.221SC*.Hα-helixtrans-65.3-45.5179.8-65.7176.8000111D72 G76 E77 S78D72-L74 VanDerWaalsContact C-N 3.34Å; D72-L74 PolarHBondContact OD1-N 3.21Å; L74-G76 VanDerWaalsContact C-N 3.28Å; L74-G76 PolarHBondContact O-N 3.43Å; L74-E77 PolarHBondContact O-N 3.46Å; L74-S78 PolarHBondContact O-N 3.5Å
75K96.1Very high98Very high111 Ų11150.3 Ų50.348%0.48325%0.252SS..Hα-helixtrans-64.4-35.8171.7-71.6-173.8-171.9-177.60112.1N48 D72 A79N48-K75 HydrophobicContact CB-CB 4.47Å; D72-K75 HydrophobicContact CB-CB 4.21Å; D72-K75 HydrophobicContact CB-CD 4.45Å; D72-K75 HydrophobicContact CB-CG 4.47Å; D72-K75 PolarHBondContact OD1-N 3.33Å; D72-K75 WeakPolarHBondContact OD2-CD 3.24Å; D72-K75 VanDerWaalsContact OD2-CE 3.27Å; D72-K75 WeakPolarHBondContact OD2-CE 3.44Å; D72-K75 VanDerWaalsContact OD2-CG 3.3Å; D72-K75 WeakPolarHBondContact OD2-CG 3.03Å; K75-A79 PolarHBondContact O-N 3.3Å
76G97.9Very high98Very high0 Ų051.7 Ų51.70%027%0.265CS..Hα-helixtrans-57.7-48.4172.900000112.3D72 V73 L74 A79 A80 V94D72-G76 PolarHBondContact O-N 2.89Å; V73-G76 CarbonylContact O-C 3.59Å; V73-G76 WeakPolarHBondContact O-CA 3.47Å; V73-G76 PolarHBondContact O-N 2.89Å; V73-G76 VanDerWaalsContact O-N 3.13Å; L74-G76 VanDerWaalsContact C-N 3.28Å; L74-G76 PolarHBondContact O-N 3.43Å; G76-A79 PolarHBondContact O-N 3.15Å; G76-A80 WeakPolarHBondContact O-CB 3.3Å; G76-A80 PolarHBondContact O-N 2.83Å; G76-V94 VanDerWaalsContact C-CG2 3.48Å; G76-V94 WeakPolarHBondContact O-CG2 3.28Å
77E98.5Very high98Very high70 Ų7052.9 Ų52.933%0.32727%0.272SS..Hα-helixtrans-69-36.8-178.6-76.9-62.4166.200112.6V73 L74 A80 S81 R84 V94V73-E77 HydrophobicContact CG1-CG 4.4Å; V73-E77 PolarHBondContact O-N 3.32Å; L74-E77 PolarHBondContact O-N 3.46Å; E77-A80 PolarHBondContact O-N 3.12Å; E77-S81 VanDerWaalsContact O-CB 3.31Å; E77-S81 WeakPolarHBondContact O-CB 3.15Å; E77-S81 PolarHBondContact O-N 2.94Å; E77-R84 IonicContact OE2-CZ 3.01Å; E77-R84 IonicContact OE2-NH1 3.95Å; E77-R84 IonicContact OE2-NH2 2.65Å; E77-R84 PolarHBondContact OE2-NH2 3.06Å; E77-V94 VanDerWaalsContact CD-CG2 3.48Å; E77-V94 HydrophobicContact CG-CB 4.22Å; E77-V94 HydrophobicContact CG-CG2 4Å; E77-V94 VanDerWaalsContact OE1-CB 3.3Å; E77-V94 WeakPolarHBondContact OE1-CB 3.25Å; E77-V94 WeakPolarHBondContact OE1-CG2 3.47Å
78S98.4Very high97.9Very high67 Ų6762.3 Ų62.347%0.46931%0.313SS..Hα-helixtrans-58.8-48.1170.3172.10000111.1L74 S81 E82L74-S78 PolarHBondContact O-N 3.5Å; S78-S81 PolarHBondContact O-N 3.17Å; S78-E82 PolarHBondContact O-N 3.19Å; S78-E82 VanDerWaalsContact O-N 3.11Å
79A98.1Very high97.9Very high2 Ų263.3 Ų63.32%0.01732%0.318CS..Hα-helixtrans-64.4-41.6177.100000112.7N48 K53 K75 G76 E82 I83N48-A79 WeakPolarHBondContact O-CB 3.37Å; K53-A79 HydrophobicContact CD-CB 3.95Å; K53-A79 HydrophobicContact CG-CB 4.3Å; K75-A79 PolarHBondContact O-N 3.3Å; G76-A79 PolarHBondContact O-N 3.15Å; A79-E82 PolarHBondContact O-N 3.44Å; A79-I83 WeakPolarHBondContact O-CD1 3.27Å; A79-I83 VanDerWaalsContact O-CG1 3.25Å; A79-I83 WeakPolarHBondContact O-CG1 3.42Å; A79-I83 PolarHBondContact O-N 2.9Å
80A98.6Very high97.9Very high0 Ų067.4 Ų67.40%035%0.347CS..Hα-helixtrans-62.3-44.5176.400000111.1I68 G76 E77 E82 I83 R84 V92 V94I68-A80 HydrophobicContact CD1-CB 4.04Å; G76-A80 WeakPolarHBondContact O-CB 3.3Å; G76-A80 PolarHBondContact O-N 2.83Å; E77-A80 PolarHBondContact O-N 3.12Å; A80-E82 PolarHBondContact O-N 3.48Å; A80-I83 PolarHBondContact O-N 3.24Å; A80-R84 WeakPolarHBondContact O-CB 3.45Å; A80-R84 VanDerWaalsContact O-CG 3.26Å; A80-R84 WeakPolarHBondContact O-CG 3.43Å; A80-R84 PolarHBondContact O-N 2.97Å; A80-V92 HydrophobicContact CB-CG1 3.9Å; A80-V94 HydrophobicContact CB-CG2 3.59Å
81S98.6Very high97.9Very high60 Ų6070.8 Ų70.842%0.4236%0.362SS..Hα-helixtrans-58.5-48.4177.8-166.90000111.8E77 S78 I83 R84 V85E77-S81 VanDerWaalsContact O-CB 3.31Å; E77-S81 WeakPolarHBondContact O-CB 3.15Å; E77-S81 PolarHBondContact O-N 2.94Å; S78-S81 PolarHBondContact O-N 3.17Å; S81-I83 VanDerWaalsContact C-N 3.35Å; S81-I83 PolarHBondContact O-N 3.4Å; S81-R84 PolarHBondContact O-N 3.2Å; S81-V85 WeakPolarHBondContact O-CG2 3.13Å; S81-V85 PolarHBondContact O-N 3.48Å; S81-V85 VanDerWaalsContact O-N 3.1Å
82E98.4Very high98Very high83 Ų8363.5 Ų63.539%0.38834%0.335SS..Hα-helixtrans-58-46.6175-71.2175-123.200111.7K53 S78 A79 A80 R84 V85 D86K53-E82 IonicContact NZ-OE1 2.64Å; K53-E82 PolarHBondContact NZ-OE1 3.47Å; K53-E82 IonicContact NZ-OE2 3.38Å; K53-E82 PolarHBondContact NZ-OE2 2.81Å; S78-E82 PolarHBondContact O-N 3.19Å; S78-E82 VanDerWaalsContact O-N 3.11Å; A79-E82 PolarHBondContact O-N 3.44Å; A80-E82 PolarHBondContact O-N 3.48Å; E82-R84 PolarHBondContact O-N 2.88Å; E82-V85 PolarHBondContact O-N 2.84Å; E82-D86 WeakPolarHBondContact O-CB 3.25Å; E82-D86 VanDerWaalsContact O-CG 3.22Å; E82-D86 PolarHBondContact O-N 3.42Å
83I98.7Very high98.1Very high0 Ų062.1 Ų62.10%033%0.327CS..Hα-helixtrans-63.7-42.9179.9-66.1165000111.2K53 A56 R57 A60 I68 A79 A80 S81 V85 D86 T87 V92K53-I83 HydrophobicContact CG-CD1 4.08Å; A56-I83 HydrophobicContact CB-CD1 3.83Å; R57-I83 HydrophobicContact CB-CD1 4.46Å; R57-I83 HydrophobicContact CB-CG1 4.07Å; R57-I83 HydrophobicContact CB-CG2 4.33Å; R57-I83 HydrophobicContact CG-CG1 4.45Å; R57-I83 HydrophobicContact CG-CG2 4.4Å; A60-I83 HydrophobicContact CB-CG2 3.72Å; I68-I83 HydrophobicContact CD1-CD1 3.99Å; A79-I83 WeakPolarHBondContact O-CD1 3.27Å; A79-I83 VanDerWaalsContact O-CG1 3.25Å; A79-I83 WeakPolarHBondContact O-CG1 3.42Å; A79-I83 PolarHBondContact O-N 2.9Å; A80-I83 PolarHBondContact O-N 3.24Å; S81-I83 VanDerWaalsContact C-N 3.35Å; S81-I83 PolarHBondContact O-N 3.4Å; I83-V85 VanDerWaalsContact C-N 3.27Å; I83-V85 PolarHBondContact O-N 2.83Å; I83-D86 PolarHBondContact O-N 3.43Å; I83-T87 HydrophobicContact CG2-CG2 3.9Å; I83-T87 WeakPolarHBondContact O-CB 3.25Å; I83-T87 WeakPolarHBondContact O-CG2 3.36Å; I83-T87 PolarHBondContact O-N 2.91Å; I83-T87 PolarHBondContact O-OG1 3.1Å; I83-V92 HydrophobicContact CG2-CG1 4.45Å; I83-V92 HydrophobicContact CG2-CG2 3.88Å
84R98.7Very high98.2Very high73 Ų7359.8 Ų59.828%0.27531%0.313SS..Hα-helixtrans-58-42.2178-71.6-176.9-72.3-1204.6110.9E77 A80 S81 E82 K88 N89 V92E77-R84 IonicContact OE2-CZ 3.01Å; E77-R84 IonicContact OE2-NH1 3.95Å; E77-R84 IonicContact OE2-NH2 2.65Å; E77-R84 PolarHBondContact OE2-NH2 3.06Å; A80-R84 WeakPolarHBondContact O-CB 3.45Å; A80-R84 VanDerWaalsContact O-CG 3.26Å; A80-R84 WeakPolarHBondContact O-CG 3.43Å; A80-R84 PolarHBondContact O-N 2.97Å; S81-R84 PolarHBondContact O-N 3.2Å; E82-R84 PolarHBondContact O-N 2.88Å; R84-K88 VanDerWaalsContact O-CA 3.23Å; R84-K88 WeakPolarHBondContact O-CA 3.47Å; R84-K88 PolarHBondContact O-N 3.01Å; R84-N89 WeakPolarHBondContact CA-O 3.5Å; R84-N89 WeakPolarHBondContact CG-O 3.34Å; R84-N89 PolarHBondContact O-N 3.16Å; R84-V92 HydrophobicContact CG-CB 3.84Å; R84-V92 HydrophobicContact CG-CG2 4.11Å; R84-V92 PolarHBondContact NH1-O 3.38Å
85V98.4Very high98.2Very high107 Ų10756.1 Ų56.165%0.64829%0.289SS*.Hα-helixtrans-65.8-53.4175.8172.40000110.9S81 E82 I83 T87 K88S81-V85 WeakPolarHBondContact O-CG2 3.13Å; S81-V85 PolarHBondContact O-N 3.48Å; S81-V85 VanDerWaalsContact O-N 3.1Å; E82-V85 PolarHBondContact O-N 2.84Å; I83-V85 VanDerWaalsContact C-N 3.27Å; I83-V85 PolarHBondContact O-N 2.83Å; V85-T87 VanDerWaalsContact C-N 3.28Å; V85-T87 PolarHBondContact O-N 2.77Å; V85-K88 PolarHBondContact O-N 3.44Å
86D97.8Very high98.3Very high95 Ų9557.2 Ų57.251%0.50829%0.294SS..Hα-helixtrans-59.8-38.4-176-71.6-15.1000112.6R57 E82 I83R57-D86 IonicContact CZ-OD2 2.83Å; R57-D86 IonicContact NE-OD2 2.66Å; R57-D86 PolarHBondContact NE-OD2 3.15Å; R57-D86 IonicContact NH2-OD2 2.77Å; R57-D86 PolarHBondContact NH2-OD2 3.23Å; E82-D86 WeakPolarHBondContact O-CB 3.25Å; E82-D86 VanDerWaalsContact O-CG 3.22Å; E82-D86 PolarHBondContact O-N 3.42Å; I83-D86 PolarHBondContact O-N 3.43Å
87T98.1Very high98.4Very high25 Ų2557.5 Ų57.515%0.15330%0.295CS..Hα-helixtrans-101.3-9.7-171.664.80000113.5R57 A60 I83 V85 N89R57-T87 HydrophobicContact CG-CG2 3.86Å; R57-T87 WeakPolarHBondContact O-CG2 3.5Å; A60-T87 HydrophobicContact CB-CG2 4.19Å; I83-T87 HydrophobicContact CG2-CG2 3.9Å; I83-T87 WeakPolarHBondContact O-CB 3.25Å; I83-T87 WeakPolarHBondContact O-CG2 3.36Å; I83-T87 PolarHBondContact O-N 2.91Å; I83-T87 PolarHBondContact O-OG1 3.1Å; V85-T87 VanDerWaalsContact C-N 3.28Å; V85-T87 PolarHBondContact O-N 2.77Å; T87-N89 PolarHBondContact O-N 3.4Å; T87-N89 VanDerWaalsContact O-N 3.11Å; T87-N89 WeakPolarHBondContact OG1-CB 3.31Å; T87-N89 PolarHBondContact OG1-N 2.97Å
88K98.2Very high98.4Very high198 Ų19855.8 Ų55.886%0.86129%0.288SS*.  trans54.920-170.1-54.4179.2-179.1179.10113.6R84 V85R84-K88 VanDerWaalsContact O-CA 3.23Å; R84-K88 WeakPolarHBondContact O-CA 3.47Å; R84-K88 PolarHBondContact O-N 3.01Å; V85-K88 PolarHBondContact O-N 3.44Å
89N98Very high98.4Very high21 Ų2153.3 Ų53.311%0.11227%0.27CS..  trans-103.7112.8178.7-178.3-5.2000109.5A60 A64 R84 T87 Q91A60-N89 PolarHBondContact O-ND2 3.26Å; A64-N89 PolarHBondContact O-ND2 2.82Å; R84-N89 WeakPolarHBondContact CA-O 3.5Å; R84-N89 WeakPolarHBondContact CG-O 3.34Å; R84-N89 PolarHBondContact O-N 3.16Å; T87-N89 PolarHBondContact O-N 3.4Å; T87-N89 VanDerWaalsContact O-N 3.11Å; T87-N89 WeakPolarHBondContact OG1-CB 3.31Å; T87-N89 PolarHBondContact OG1-N 2.97Å; N89-Q91 PolarHBondContact O-N 2.93Å; N89-Q91 VanDerWaalsContact OD1-CB 3.22Å; N89-Q91 WeakPolarHBondContact OD1-CB 3.3Å; N89-Q91 PolarHBondContact OD1-N 3.14Å
90S97.7Very high98.4Very high86 Ų8654.4 Ų54.460%0.60128%0.277SS*.  trans-72.9-13.1179.162.40000113.9V92S90-V92 PolarHBondContact O-N 2.98Å
91Q98.1Very high98.4Very high74 Ų7456.6 Ų56.635%0.34629%0.289SS..  trans-85.540.1-172.3-55.3-63.1-65.100113R65 V66 N89R65-Q91 CarbonylContact C-O 3.52Å; R65-Q91 WeakPolarHBondContact CA-O 3.31Å; R65-Q91 HydrophobicContact CB-CB 4.01Å; R65-Q91 HydrophobicContact CG-CB 4.03Å; V66-Q91 PolarHBondContact N-O 3.5Å; N89-Q91 PolarHBondContact O-N 2.93Å; N89-Q91 VanDerWaalsContact OD1-CB 3.22Å; N89-Q91 WeakPolarHBondContact OD1-CB 3.3Å; N89-Q91 PolarHBondContact OD1-N 3.14Å
92V98.7Very high98.4Very high1 Ų154.8 Ų54.81%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-110.3108.3173.2-172.40000108A60 V66 I68 A80 I83 R84 S90A60-V92 HydrophobicContact CB-CG2 3.75Å; V66-V92 CarbonylContact O-C 3.43Å; V66-V92 WeakPolarHBondContact O-CA 3.43Å; I68-V92 HydrophobicContact CD1-CG1 3.83Å; I68-V92 HydrophobicContact CG1-CG1 4.14Å; A80-V92 HydrophobicContact CB-CG1 3.9Å; I83-V92 HydrophobicContact CG2-CG1 4.45Å; I83-V92 HydrophobicContact CG2-CG2 3.88Å; R84-V92 HydrophobicContact CG-CB 3.84Å; R84-V92 HydrophobicContact CG-CG2 4.11Å; R84-V92 PolarHBondContact NH1-O 3.38Å; S90-V92 PolarHBondContact O-N 2.98Å
93L98.6Very high98.4Very high31 Ų3158.5 Ų58.516%0.16229%0.291CS..EExtended strand (participates in β ladder)trans-112148.4-172.9-55.6105000110.5R65 V66 Y67 I68R65-L93 HydrophobicContact CG-CD1 3.71Å; V66-L93 PolarHBondContact O-N 3.21Å; Y67-L93 CarbonylContact C-O 3.6Å; Y67-L93 WeakPolarHBondContact CA-O 3.35Å; Y67-L93 HydrophobicContact CD1-CB 4.21Å; Y67-L93 HydrophobicContact CD2-CD1 4.35Å; Y67-L93 HydrophobicContact CE1-CB 4.14Å; Y67-L93 HydrophobicContact CE2-CD1 3.92Å; I68-L93 PolarHBondContact N-O 3.35Å
94V98.8Very high98.4Very high6 Ų659.2 Ų59.24%0.03630%0.295CS..EExtended strand (participates in β ladder)trans-110.7137.4176-172.30000109.6I68 V73 G76 E77 A80I68-V94 HydrophobicContact CB-CG2 4.34Å; I68-V94 WeakPolarHBondContact O-CA 3.31Å; V73-V94 HydrophobicContact CG1-CG1 4.15Å; G76-V94 VanDerWaalsContact C-CG2 3.48Å; G76-V94 WeakPolarHBondContact O-CG2 3.28Å; E77-V94 VanDerWaalsContact CD-CG2 3.48Å; E77-V94 HydrophobicContact CG-CB 4.22Å; E77-V94 HydrophobicContact CG-CG2 4Å; E77-V94 VanDerWaalsContact OE1-CB 3.3Å; E77-V94 WeakPolarHBondContact OE1-CB 3.25Å; E77-V94 WeakPolarHBondContact OE1-CG2 3.47Å; A80-V94 HydrophobicContact CB-CG2 3.59Å
95R98.4Very high98.5Very high69 Ų6955.8 Ų55.826%0.2628%0.282SS..EExtended strand (participates in β ladder)trans-136.9140173.7-70.4-65.9178.5-84.81.5109.3Y67 I68 A69 C70 L97 F108 E115Y67-R95 HydrophobicContact CD1-CG 3.74Å; Y67-R95 HydrophobicContact CE1-CG 3.93Å; I68-R95 PolarHBondContact O-N 3.31Å; A69-R95 WeakPolarHBondContact CA-O 3.46Å; C70-R95 PolarHBondContact N-O 3.35Å; C70-R95 VanDerWaalsContact N-O 3.14Å; R95-L97 PolarHBondContact O-N 3.5Å; R95-F108 HydrophobicContact CB-CD2 3.8Å; R95-F108 HydrophobicContact CB-CE2 3.57Å; R95-F108 HydrophobicContact CG-CE2 4.44Å; R95-E115 IonicContact CZ-OE1 2.81Å; R95-E115 IonicContact CZ-OE2 2.66Å; R95-E115 IonicContact NE-OE1 2.72Å; R95-E115 PolarHBondContact NE-OE1 3.1Å; R95-E115 VanDerWaalsContact NE-OE1 3.11Å; R95-E115 IonicContact NE-OE2 3.04Å; R95-E115 PolarHBondContact NE-OE2 2.93Å; R95-E115 VanDerWaalsContact NH2-CD 3.26Å; R95-E115 IonicContact NH2-OE1 3.35Å; R95-E115 PolarHBondContact NH2-OE1 2.93Å; R95-E115 IonicContact NH2-OE2 3.33Å; R95-E115 PolarHBondContact NH2-OE2 2.82Å
96K98.6Very high98.5Very high134 Ų13455.2 Ų55.258%0.58327%0.269SS*.EExtended strand (participates in β ladder)trans-67.3126.8179-174178.4176.4-176.70109.6C70 V73 F108C70-K96 WeakPolarHBondContact O-CA 3.4Å; V73-K96 HydrophobicContact CG2-CB 3.73Å; V73-K96 HydrophobicContact CG2-CG 4.12Å; K96-F108 WeakPolarHBondContact O-CD2 3.47Å
97L98.8Very high98.5Very high6 Ų653.4 Ų53.43%0.03127%0.267CS..  trans-145.1111.7172175.465.3000109.6T45 A69 C70 R71 R95 L99 I105 F108 L154T45-L97 HydrophobicContact CG2-CD2 3.64Å; A69-L97 HydrophobicContact CB-CB 3.95Å; A69-L97 HydrophobicContact CB-CD2 3.63Å; A69-L97 HydrophobicContact CB-CG 4.45Å; C70-L97 CarbonylContact C-O 3.49Å; C70-L97 PolarHBondContact O-N 2.97Å; R71-L97 WeakPolarHBondContact CA-O 3.47Å; R71-L97 PolarHBondContact N-O 3.09Å; R95-L97 PolarHBondContact O-N 3.5Å; L97-L99 HydrophobicContact CD1-CD2 4.47Å; L97-L99 HydrophobicContact CD2-CD2 4.25Å; L97-L99 HydrophobicContact CD2-CG 4.37Å; L97-L99 HydrophobicContact CG-CD2 4.43Å; L97-L99 HydrophobicContact CG-CG 4.33Å; L97-I105 HydrophobicContact CD1-CB 4.32Å; L97-I105 HydrophobicContact CD1-CG1 3.98Å; L97-F108 HydrophobicContact CB-CB 4.47Å; L97-F108 HydrophobicContact CB-CD2 3.93Å; L97-F108 HydrophobicContact CB-CE2 4.45Å; L97-F108 HydrophobicContact CB-CG 4.21Å; L97-F108 HydrophobicContact CD1-CB 3.86Å; L97-F108 HydrophobicContact CD1-CD1 4.28Å; L97-F108 HydrophobicContact CD1-CG 3.98Å; L97-F108 HydrophobicContact CG-CG 4.5Å; L97-L154 HydrophobicContact CD2-CD2 3.92Å
98D98.6Very high98.6Very high33 Ų3352.6 Ų52.618%0.17626%0.261CS..  trans-102.4111166.5-163.8-22.7000110.3R71 S100 D101 S104R71-D98 HydrophobicContact CB-CB 4.5Å; R71-D98 WeakPolarHBondContact CD-OD2 3.31Å; R71-D98 HydrophobicContact CG-CB 4.11Å; R71-D98 WeakPolarHBondContact CG-OD2 3.13Å; D98-S100 VanDerWaalsContact CG-OG 3.3Å; D98-S100 PolarHBondContact O-N 2.91Å; D98-S100 WeakPolarHBondContact OD1-CB 3.46Å; D98-S100 PolarHBondContact OD1-N 3.39Å; D98-S100 PolarHBondContact OD1-OG 2.91Å; D98-S100 PolarHBondContact OD2-OG 3.34Å; D98-D101 PolarHBondContact O-N 2.95Å; D98-S104 PolarHBondContact N-OG 3.34Å
99L98.8Very high98.6Very high16 Ų1643.2 Ų43.28%0.08422%0.221CC..THydrogen-bonded Turntrans-73.7-6.6178.8-70.8164.1000113.5L97 I105 A126 V146 H151L97-L99 HydrophobicContact CD1-CD2 4.47Å; L97-L99 HydrophobicContact CD2-CD2 4.25Å; L97-L99 HydrophobicContact CD2-CG 4.37Å; L97-L99 HydrophobicContact CG-CD2 4.43Å; L97-L99 HydrophobicContact CG-CG 4.33Å; L99-I105 HydrophobicContact CD2-CD1 4.3Å; L99-I105 HydrophobicContact CD2-CG1 4.38Å; L99-A126 HydrophobicContact CD1-CB 3.47Å; L99-A126 VanDerWaalsContact CD1-CB 3.47Å; L99-V146 HydrophobicContact CB-CG1 4.08Å; L99-H151 VanDerWaalsContact CD1-NE2 3.26Å; L99-H151 WeakPolarHBondContact CD1-NE2 3.3Å
100S98.3Very high98.6Very high25 Ų2549.2 Ų49.218%0.17525%0.248CC..THydrogen-bonded Turntrans-939.2173.268.30000113.6D98 T136 A137D98-S100 VanDerWaalsContact CG-OG 3.3Å; D98-S100 PolarHBondContact O-N 2.91Å; D98-S100 WeakPolarHBondContact OD1-CB 3.46Å; D98-S100 PolarHBondContact OD1-N 3.39Å; D98-S100 PolarHBondContact OD1-OG 2.91Å; D98-S100 PolarHBondContact OD2-OG 3.34Å; S100-T136 VanDerWaalsContact O-CB 3.26Å; S100-T136 WeakPolarHBondContact O-CB 3.42Å; S100-A137 WeakPolarHBondContact O-CB 3.35Å; S100-A137 PolarHBondContact O-N 2.97Å
101D98.7Very high98.7Very high46 Ų4647 Ų4725%0.24624%0.235CC..  trans-143111.4177.9174.17000110.4D98 K103 S104 I105 A137 D138D98-D101 PolarHBondContact O-N 2.95Å; D101-K103 PolarHBondContact O-N 3.42Å; D101-K103 VanDerWaalsContact OD1-CB 3.29Å; D101-K103 WeakPolarHBondContact OD1-CB 3.2Å; D101-K103 PolarHBondContact OD1-N 2.87Å; D101-S104 WeakPolarHBondContact O-CB 3.47Å; D101-S104 PolarHBondContact O-N 3.45Å; D101-I105 WeakPolarHBondContact O-CG1 3.35Å; D101-I105 PolarHBondContact O-N 3.1Å; D101-A137 HydrophobicContact CB-CB 3.99Å; D101-D138 WeakPolarHBondContact CA-OD2 3.38Å
102T98.7Very high98.7Very high22 Ų2243.6 Ų43.614%0.13522%0.219CC..Hα-helixtrans-62.1-26.5-179.668.30000113.3I105 R106 D138 F140 L153 L311T102-I105 PolarHBondContact O-N 3.36Å; T102-R106 VanDerWaalsContact O-CG 3.31Å; T102-R106 WeakPolarHBondContact O-CG 3.37Å; T102-R106 PolarHBondContact O-N 3.28Å; T102-D138 WeakPolarHBondContact CB-OD1 3.31Å; T102-D138 HydrophobicContact CG2-CB 4.31Å; T102-D138 VanDerWaalsContact CG2-CG 3.44Å; T102-D138 WeakPolarHBondContact CG2-OD1 3.4Å; T102-D138 WeakPolarHBondContact CG2-OD2 3.27Å; T102-D138 PolarHBondContact N-OD2 3.35Å; T102-D138 PolarHBondContact OG1-OD1 3.46Å; T102-F140 HydrophobicContact CG2-CE2 4.39Å; T102-L153 HydrophobicContact CG2-CD2 3.73Å; T102-L311 HydrophobicContact CG2-CD2 3.88Å
103K98.7Very high98.7Very high161 Ų16146.1 Ų46.170%0.723%0.232SC*.Hα-helixtrans-67.6-42.7173.6-61.8178.7-180176.60110.5D101 I105 R106 A107D101-K103 PolarHBondContact O-N 3.42Å; D101-K103 VanDerWaalsContact OD1-CB 3.29Å; D101-K103 WeakPolarHBondContact OD1-CB 3.2Å; D101-K103 PolarHBondContact OD1-N 2.87Å; K103-I105 VanDerWaalsContact C-N 3.3Å; K103-I105 PolarHBondContact O-N 3.12Å; K103-R106 PolarHBondContact O-N 3.37Å; K103-A107 WeakPolarHBondContact O-CB 3.33Å; K103-A107 PolarHBondContact O-N 3.02Å
104S98.8Very high98.7Very high14 Ų1448.9 Ų48.910%0.09826%0.259CS..Hα-helixtrans-61.8-38.5173.9-176.40000112D98 D101 F108D98-S104 PolarHBondContact N-OG 3.34Å; D101-S104 WeakPolarHBondContact O-CB 3.47Å; D101-S104 PolarHBondContact O-N 3.45Å; S104-F108 WeakPolarHBondContact O-CB 3.24Å; S104-F108 PolarHBondContact O-N 2.82Å
105I98.9Very high98.6Very high1 Ų152.8 Ų52.81%0.00528%0.277CS..Hα-helixtrans-66-45178.3-60.8166.9000110.6L97 L99 D101 T102 K103 F108 A109 G150 L153 L154 L157L97-I105 HydrophobicContact CD1-CB 4.32Å; L97-I105 HydrophobicContact CD1-CG1 3.98Å; L99-I105 HydrophobicContact CD2-CD1 4.3Å; L99-I105 HydrophobicContact CD2-CG1 4.38Å; D101-I105 WeakPolarHBondContact O-CG1 3.35Å; D101-I105 PolarHBondContact O-N 3.1Å; T102-I105 PolarHBondContact O-N 3.36Å; K103-I105 VanDerWaalsContact C-N 3.3Å; K103-I105 PolarHBondContact O-N 3.12Å; I105-F108 PolarHBondContact O-N 3.35Å; I105-A109 PolarHBondContact O-N 2.8Å; I105-G150 VanDerWaalsContact CD1-CA 3.48Å; I105-L153 HydrophobicContact CB-CD2 4.08Å; I105-L153 HydrophobicContact CD1-CD2 4.17Å; I105-L153 HydrophobicContact CG2-CB 4.29Å; I105-L153 HydrophobicContact CG2-CD2 3.97Å; I105-L153 HydrophobicContact CG2-CG 3.92Å; I105-L154 HydrophobicContact CG2-CB 4.01Å; I105-L154 HydrophobicContact CG2-CD1 4.27Å; I105-L157 HydrophobicContact CG2-CD1 4.04Å
106R98.8Very high98.5Very high96 Ų9650.5 Ų50.536%0.36227%0.27SS..Hα-helixtrans-63.6-46.5177.5-71.1174.5-169.5-77.82.1111.8T102 K103 F108 A109 E110 L157T102-R106 VanDerWaalsContact O-CG 3.31Å; T102-R106 WeakPolarHBondContact O-CG 3.37Å; T102-R106 PolarHBondContact O-N 3.28Å; K103-R106 PolarHBondContact O-N 3.37Å; R106-F108 VanDerWaalsContact C-N 3.33Å; R106-F108 PolarHBondContact O-N 3.11Å; R106-A109 PolarHBondContact O-N 3.17Å; R106-A109 VanDerWaalsContact O-N 3.17Å; R106-E110 WeakPolarHBondContact O-CB 3.38Å; R106-E110 PolarHBondContact O-N 3.37Å; R106-L157 HydrophobicContact CG-CD1 3.92Å
107A98.8Very high98.5Very high56 Ų5652.5 Ų52.546%0.46328%0.278SS..Hα-helixtrans-60.9-40.8177.200000112.4K103 A111K103-A107 WeakPolarHBondContact O-CB 3.33Å; K103-A107 PolarHBondContact O-N 3.02Å; A107-A111 WeakPolarHBondContact O-CB 3.5Å; A107-A111 PolarHBondContact O-N 2.66Å; A107-A111 VanDerWaalsContact O-N 3.07Å
108F98.9Very high98.4Very high8 Ų856.4 Ų56.44%0.03530%0.297CS..Hα-helixtrans-60.1-49.1173.2170.5-87.5000111.4V43 A69 R95 K96 L97 S104 I105 R106 A111 F112 L154 L158V43-F108 HydrophobicContact CG1-CE1 4.2Å; V43-F108 HydrophobicContact CG1-CZ 3.78Å; V43-F108 HydrophobicContact CG2-CZ 4.46Å; A69-F108 HydrophobicContact CB-CD2 4.31Å; A69-F108 HydrophobicContact CB-CE2 3.48Å; A69-F108 VanDerWaalsContact CB-CE2 3.48Å; A69-F108 HydrophobicContact CB-CZ 3.71Å; R95-F108 HydrophobicContact CB-CD2 3.8Å; R95-F108 HydrophobicContact CB-CE2 3.57Å; R95-F108 HydrophobicContact CG-CE2 4.44Å; K96-F108 WeakPolarHBondContact O-CD2 3.47Å; L97-F108 HydrophobicContact CB-CB 4.47Å; L97-F108 HydrophobicContact CB-CD2 3.93Å; L97-F108 HydrophobicContact CB-CE2 4.45Å; L97-F108 HydrophobicContact CB-CG 4.21Å; L97-F108 HydrophobicContact CD1-CB 3.86Å; L97-F108 HydrophobicContact CD1-CD1 4.28Å; L97-F108 HydrophobicContact CD1-CG 3.98Å; L97-F108 HydrophobicContact CG-CG 4.5Å; S104-F108 WeakPolarHBondContact O-CB 3.24Å; S104-F108 PolarHBondContact O-N 2.82Å; I105-F108 PolarHBondContact O-N 3.35Å; R106-F108 VanDerWaalsContact C-N 3.33Å; R106-F108 PolarHBondContact O-N 3.11Å; F108-A111 PolarHBondContact O-N 2.82Å; F108-F112 HydrophobicContact CE1-CB 4.37Å; F108-F112 VanDerWaalsContact O-CB 3.27Å; F108-F112 WeakPolarHBondContact O-CB 3.43Å; F108-F112 PolarHBondContact O-N 3.05Å; F108-L154 HydrophobicContact CD1-CD1 3.59Å; F108-L154 HydrophobicContact CE1-CD1 3.74Å; F108-L158 HydrophobicContact CE1-CD1 4.32Å
109A98.9Very high98.4Very high2 Ų254.9 Ų54.92%0.01729%0.288CS..Hα-helixtrans-64.9-43.4-176.900000111.6I105 R106 F112 L113 L157 L158I105-A109 PolarHBondContact O-N 2.8Å; R106-A109 PolarHBondContact O-N 3.17Å; R106-A109 VanDerWaalsContact O-N 3.17Å; A109-F112 PolarHBondContact O-N 2.78Å; A109-L113 VanDerWaalsContact O-CB 3.31Å; A109-L113 WeakPolarHBondContact O-CB 3.48Å; A109-L113 WeakPolarHBondContact O-CD1 3.35Å; A109-L113 WeakPolarHBondContact O-CG 3.33Å; A109-L113 PolarHBondContact O-N 2.89Å; A109-L157 HydrophobicContact CB-CB 3.66Å; A109-L157 HydrophobicContact CB-CD1 3.83Å; A109-L157 HydrophobicContact CB-CG 4.34Å; A109-L158 HydrophobicContact CB-CD2 4.12Å
110E98.8Very high98.5Very high147 Ų14754.6 Ų54.669%0.68729%0.286SS*.Hα-helixtrans-58.9-52176.4-177178.2-176.300111.6R106 F112 L113 A114R106-E110 WeakPolarHBondContact O-CB 3.38Å; R106-E110 PolarHBondContact O-N 3.37Å; E110-F112 PolarHBondContact O-N 3.01Å; E110-L113 PolarHBondContact O-N 2.74Å; E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 3.37Å
111A98.6Very high98.5Very high40 Ų4053.7 Ų53.733%0.33128%0.28SS..Hα-helixtrans-61.2-44.6178.100000111.9A107 F108 L113 A114 E115A107-A111 WeakPolarHBondContact O-CB 3.5Å; A107-A111 PolarHBondContact O-N 2.66Å; A107-A111 VanDerWaalsContact O-N 3.07Å; F108-A111 PolarHBondContact O-N 2.82Å; A111-L113 PolarHBondContact O-N 3.43Å; A111-A114 PolarHBondContact O-N 3.25Å; A111-E115 WeakPolarHBondContact O-CG 3.47Å; A111-E115 PolarHBondContact O-N 2.7Å; A111-E115 VanDerWaalsContact O-N 3.1Å
112F98.8Very high98.5Very high1 Ų151.5 Ų51.50%0.00427%0.268CS..Hα-helixtrans-61.1-43.7177.3177-92.5000111.8V41 V43 Y67 F108 A109 E110 A114 E115 E116 L119 L158V41-F112 HydrophobicContact CG1-CE2 4.08Å; V41-F112 HydrophobicContact CG1-CZ 3.9Å; V43-F112 HydrophobicContact CG2-CD2 3.99Å; V43-F112 HydrophobicContact CG2-CE1 4.45Å; V43-F112 HydrophobicContact CG2-CE2 3.45Å; V43-F112 VanDerWaalsContact CG2-CE2 3.45Å; V43-F112 HydrophobicContact CG2-CZ 3.74Å; Y67-F112 HydrophobicContact CD1-CD2 4.04Å; Y67-F112 HydrophobicContact CD1-CE2 4.28Å; Y67-F112 HydrophobicContact CD2-CD2 4.39Å; Y67-F112 AromaticContact CD2-CE2 3.81Å; Y67-F112 HydrophobicContact CD2-CE2 3.81Å; Y67-F112 HydrophobicContact CE1-CD2 4.05Å; Y67-F112 HydrophobicContact CE1-CE2 4.35Å; Y67-F112 HydrophobicContact CE2-CD2 4.41Å; Y67-F112 AromaticContact CE2-CE2 3.89Å; Y67-F112 HydrophobicContact CE2-CE2 3.89Å; Y67-F112 HydrophobicContact CG-CD2 4.22Å; Y67-F112 HydrophobicContact CG-CE2 4.02Å; F108-F112 HydrophobicContact CE1-CB 4.37Å; F108-F112 VanDerWaalsContact O-CB 3.27Å; F108-F112 WeakPolarHBondContact O-CB 3.43Å; F108-F112 PolarHBondContact O-N 3.05Å; A109-F112 PolarHBondContact O-N 2.78Å; E110-F112 PolarHBondContact O-N 3.01Å; F112-A114 VanDerWaalsContact C-N 3.34Å; F112-A114 PolarHBondContact O-N 3.01Å; F112-E115 PolarHBondContact O-N 3.19Å; F112-E116 HydrophobicContact CD2-CB 4.35Å; F112-E116 HydrophobicContact CD2-CG 4.12Å; F112-E116 HydrophobicContact CE1-CB 4.08Å; F112-E116 HydrophobicContact CE2-CB 3.9Å; F112-E116 HydrophobicContact CE2-CG 3.67Å; F112-E116 HydrophobicContact CZ-CB 3.74Å; F112-E116 HydrophobicContact CZ-CG 4Å; F112-E116 WeakPolarHBondContact O-CB 3.35Å; F112-E116 PolarHBondContact O-N 3.11Å; F112-L119 HydrophobicContact CE1-CB 4.08Å; F112-L119 HydrophobicContact CE1-CD1 4.44Å; F112-L119 HydrophobicContact CE1-CD2 4.09Å; F112-L119 HydrophobicContact CE1-CG 4.44Å; F112-L119 HydrophobicContact CZ-CB 4.13Å; F112-L119 HydrophobicContact CZ-CD1 3.97Å; F112-L119 HydrophobicContact CZ-CD2 4.43Å; F112-L119 HydrophobicContact CZ-CG 4.4Å; F112-L158 HydrophobicContact CD1-CD2 3.66Å; F112-L158 HydrophobicContact CE1-CD2 4.23Å
113L98.7Very high98.5Very high54 Ų5450.5 Ų50.528%0.28326%0.262SS..Hα-helixtrans-71.3-28.8-178.9-69.9170000113.1A109 E110 A111 L158 R161A109-L113 VanDerWaalsContact O-CB 3.31Å; A109-L113 WeakPolarHBondContact O-CB 3.48Å; A109-L113 WeakPolarHBondContact O-CD1 3.35Å; A109-L113 WeakPolarHBondContact O-CG 3.33Å; A109-L113 PolarHBondContact O-N 2.89Å; E110-L113 PolarHBondContact O-N 2.74Å; A111-L113 PolarHBondContact O-N 3.43Å; L113-L158 HydrophobicContact CD1-CD2 4.44Å; L113-L158 HydrophobicContact CD2-CD2 4.12Å; L113-L158 HydrophobicContact CG-CD2 4.07Å; L113-R161 HydrophobicContact CD2-CB 3.71Å; L113-R161 HydrophobicContact CD2-CG 4.11Å; L113-R161 PolarHBondContact O-NH2 3.25Å
114A98.2Very high98.5Very high89 Ų8942.8 Ų42.874%0.73623%0.228SC*.Hα-helixtrans-70.4-37.2173.100000111.8E110 A111 F112E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 3.37Å; A111-A114 PolarHBondContact O-N 3.25Å; F112-A114 VanDerWaalsContact C-N 3.34Å; F112-A114 PolarHBondContact O-N 3.01Å
115E96.6Very high98.5Very high88 Ų8843 Ų4341%0.41123%0.228SC..Hα-helixtrans-81.7-47.4-179.4-69.1175.6-166.500113.1Y67 R95 A111 F112Y67-E115 PolarHBondContact OH-OE2 3.23Å; R95-E115 IonicContact CZ-OE1 2.81Å; R95-E115 IonicContact CZ-OE2 2.66Å; R95-E115 IonicContact NE-OE1 2.72Å; R95-E115 PolarHBondContact NE-OE1 3.1Å; R95-E115 VanDerWaalsContact NE-OE1 3.11Å; R95-E115 IonicContact NE-OE2 3.04Å; R95-E115 PolarHBondContact NE-OE2 2.93Å; R95-E115 VanDerWaalsContact NH2-CD 3.26Å; R95-E115 IonicContact NH2-OE1 3.35Å; R95-E115 PolarHBondContact NH2-OE1 2.93Å; R95-E115 IonicContact NH2-OE2 3.33Å; R95-E115 PolarHBondContact NH2-OE2 2.82Å; A111-E115 WeakPolarHBondContact O-CG 3.47Å; A111-E115 PolarHBondContact O-N 2.7Å; A111-E115 VanDerWaalsContact O-N 3.1Å; F112-E115 PolarHBondContact O-N 3.19Å
116E97.5Very high98.3Very high22 Ų2243.7 Ų43.710%0.10323%0.234CC..  trans-103.3131.8-166.1-74.8-61.416000113V41 R65 Y67 F112 R161V41-E116 HydrophobicContact CG1-CG 4.27Å; R65-E116 IonicContact CZ-OE1 3.11Å; R65-E116 IonicContact NE-OE1 3.05Å; R65-E116 PolarHBondContact NE-OE1 2.84Å; R65-E116 IonicContact NH2-OE1 2.79Å; R65-E116 PolarHBondContact NH2-OE1 2.77Å; Y67-E116 HydrophobicContact CE2-CG 3.67Å; Y67-E116 WeakPolarHBondContact CE2-OE1 3.22Å; Y67-E116 VanDerWaalsContact OH-CG 3.24Å; Y67-E116 WeakPolarHBondContact OH-CG 3.34Å; Y67-E116 PolarHBondContact OH-OE1 2.83Å; F112-E116 HydrophobicContact CD2-CB 4.35Å; F112-E116 HydrophobicContact CD2-CG 4.12Å; F112-E116 HydrophobicContact CE1-CB 4.08Å; F112-E116 HydrophobicContact CE2-CB 3.9Å; F112-E116 HydrophobicContact CE2-CG 3.67Å; F112-E116 HydrophobicContact CZ-CB 3.74Å; F112-E116 HydrophobicContact CZ-CG 4Å; F112-E116 WeakPolarHBondContact O-CB 3.35Å; F112-E116 PolarHBondContact O-N 3.11Å; E116-R161 PolarHBondContact O-NH1 3.11Å; E116-R161 PolarHBondContact O-NH2 3.31Å; E116-R161 VanDerWaalsContact O-NH2 3.1Å
117K97.1Very high98.1Very high175 Ų17540.1 Ų40.176%0.76123%0.227SC*.SBendtrans-84.1-18.2178.1-70.1-172.6-178.5179.30113.3R161K117-R161 VanDerWaalsContact O-CD 3.28Å; K117-R161 WeakPolarHBondContact O-CD 3.37Å; K117-R161 PolarHBondContact O-NH1 2.94Å
118Q98.2Very high97.7Very high89 Ų8938.5 Ų38.542%0.41621%0.211SC..  trans-139.5155.8-174.4-64.1-175.1-39.700112.2V41 H120 S165V41-Q118 VanDerWaalsContact CB-O 3.31Å; V41-Q118 WeakPolarHBondContact CB-O 3.26Å; V41-Q118 WeakPolarHBondContact CG1-O 3.39Å; V41-Q118 HydrophobicContact CG2-CB 4.32Å; Q118-H120 PolarHBondContact OE1-CE1 3.46Å; Q118-H120 VanDerWaalsContact OE1-CE1 3.24Å; Q118-S165 VanDerWaalsContact CA-OG 3.26Å; Q118-S165 WeakPolarHBondContact CA-OG 3.38Å
119L98.8Very high97.3Very high0 Ų039.2 Ų39.20%022%0.215CC..  trans-148.5108.7170177.257.7000108.7V43 F112 I121 L158 R161 L162 S165V43-L119 HydrophobicContact CB-CD1 4.09Å; V43-L119 HydrophobicContact CG2-CD1 3.69Å; F112-L119 HydrophobicContact CE1-CB 4.08Å; F112-L119 HydrophobicContact CE1-CD1 4.44Å; F112-L119 HydrophobicContact CE1-CD2 4.09Å; F112-L119 HydrophobicContact CE1-CG 4.44Å; F112-L119 HydrophobicContact CZ-CB 4.13Å; F112-L119 HydrophobicContact CZ-CD1 3.97Å; F112-L119 HydrophobicContact CZ-CD2 4.43Å; F112-L119 HydrophobicContact CZ-CG 4.4Å; L119-I121 WeakPolarHBondContact CD1-O 3.42Å; L119-L158 HydrophobicContact CD2-CB 3.83Å; L119-L158 HydrophobicContact CD2-CD1 3.86Å; L119-L158 HydrophobicContact CD2-CG 4.32Å; L119-R161 HydrophobicContact CB-CB 4.26Å; L119-R161 HydrophobicContact CB-CG 3.56Å; L119-L162 HydrophobicContact CB-CD2 4.5Å; L119-L162 HydrophobicContact CD2-CD2 3.99Å; L119-L162 HydrophobicContact CD2-CG 3.92Å; L119-L162 HydrophobicContact CG-CD2 3.77Å; L119-L162 HydrophobicContact CG-CG 4.15Å; L119-S165 PolarHBondContact N-OG 3.24Å; L119-S165 WeakPolarHBondContact O-CB 3.39Å; L119-S165 PolarHBondContact O-OG 3.04Å
120H98.9Very high96.7Very high10 Ų1041.4 Ų41.45%0.04623%0.225CC..  trans-98.6-30.2-175-58.392.2000112.3K40 V41 Q118 S165 A168 R169K40-H120 HydrophobicContact CB-CB 4.41Å; K40-H120 HydrophobicContact CD-CB 3.98Å; K40-H120 VanDerWaalsContact CD-CD2 3.41Å; K40-H120 WeakPolarHBondContact CD-CD2 3.48Å; K40-H120 VanDerWaalsContact CD-CG 3.43Å; K40-H120 WeakPolarHBondContact CD-NE2 3.47Å; K40-H120 PolarHBondContact NZ-CD2 3.44Å; K40-H120 PolarHBondContact NZ-NE2 2.83Å; K40-H120 VanDerWaalsContact NZ-NE2 3.19Å; V41-H120 PolarHBondContact N-ND1 3.36Å; V41-H120 VanDerWaalsContact N-ND1 3.18Å; V41-H120 PolarHBondContact O-N 3.29Å; Q118-H120 PolarHBondContact OE1-CE1 3.46Å; Q118-H120 VanDerWaalsContact OE1-CE1 3.24Å; H120-S165 PolarHBondContact CD2-O 2.85Å; H120-A168 CarbonylContact O-C 3.5Å; H120-A168 WeakPolarHBondContact O-CA 3.36Å; H120-A168 WeakPolarHBondContact O-CB 3.38Å; H120-R169 PolarHBondContact O-N 2.69Å
121I98.9Very high96Very high7 Ų734.8 Ų34.84%0.03620%0.195CC..EExtended strand (participates in β ladder)trans-137.1122.6-177.9-51.2176000109.1L37 V41 V42 V43 L119 I123 R169 A269L37-I121 HydrophobicContact CD1-CD1 4.2Å; L37-I121 HydrophobicContact CD2-CD1 4.45Å; V41-I121 PolarHBondContact O-N 2.76Å; V42-I121 CarbonylContact C-O 3.57Å; V42-I121 VanDerWaalsContact CA-O 3.3Å; V42-I121 WeakPolarHBondContact CA-O 3.28Å; V42-I121 HydrophobicContact CB-CB 4.28Å; V42-I121 HydrophobicContact CG1-CB 3.79Å; V42-I121 HydrophobicContact CG1-CG2 4.03Å; V42-I121 HydrophobicContact CG2-CB 3.95Å; V42-I121 HydrophobicContact CG2-CD1 4Å; V42-I121 HydrophobicContact CG2-CG1 4.21Å; V43-I121 PolarHBondContact N-O 2.89Å; L119-I121 WeakPolarHBondContact CD1-O 3.42Å; I121-I123 HydrophobicContact CG2-CD1 4.08Å; I121-I123 HydrophobicContact CG2-CG1 3.71Å; I121-R169 CarbonylContact C-O 3.57Å; I121-R169 WeakPolarHBondContact CA-O 3.4Å; I121-A269 HydrophobicContact CD1-CB 4.4Å; I121-A269 HydrophobicContact CG2-CB 4.02Å
122L98.9Very high95.7Very high0 Ų035.8 Ų35.80%020%0.198CC..EExtended strand (participates in β ladder)trans-111.3120.4168.3175.561.5000108.9V43 L154 T155 L158 L162 R169 V170 V171V43-L122 HydrophobicContact CB-CD1 3.96Å; V43-L122 HydrophobicContact CG1-CD1 3.84Å; L122-L154 HydrophobicContact CD1-CD2 4.22Å; L122-T155 HydrophobicContact CD2-CG2 4.26Å; L122-L158 HydrophobicContact CD1-CD1 4.35Å; L122-L162 HydrophobicContact CB-CD2 4.29Å; L122-L162 HydrophobicContact CD2-CD1 4.3Å; L122-R169 PolarHBondContact N-O 3.07Å; L122-V170 HydrophobicContact CB-CG2 4.41Å; L122-V170 HydrophobicContact CD2-CG1 4.36Å; L122-V170 CarbonylContact O-C 3.56Å; L122-V170 WeakPolarHBondContact O-CA 3.48Å; L122-V171 PolarHBondContact O-N 2.95Å
123I98.9Very high95.5Very high0 Ų040.1 Ų40.10%022%0.215CC..EExtended strand (participates in β ladder)trans-113.5102.8176.9-51-174000109.2V43 I44 T45 T55 L59 I121 N125 V171 A269V43-I123 PolarHBondContact O-N 3.38Å; I44-I123 HydrophobicContact CB-CB 4.42Å; I44-I123 HydrophobicContact CD1-CD1 4.42Å; I44-I123 HydrophobicContact CG1-CB 4.2Å; I44-I123 HydrophobicContact CG1-CD1 4.21Å; I44-I123 HydrophobicContact CG1-CG1 4.35Å; I44-I123 HydrophobicContact CG2-CB 4.08Å; I44-I123 HydrophobicContact CG2-CG2 4.27Å; T45-I123 PolarHBondContact N-O 3.38Å; T45-I123 PolarHBondContact OG1-O 3.04Å; T55-I123 HydrophobicContact CG2-CD1 3.56Å; L59-I123 HydrophobicContact CD1-CD1 3.77Å; I121-I123 HydrophobicContact CG2-CD1 4.08Å; I121-I123 HydrophobicContact CG2-CG1 3.71Å; I123-N125 VanDerWaalsContact C-N 3.26Å; I123-N125 HydrophobicContact CG2-CB 3.91Å; I123-N125 PolarHBondContact O-N 2.88Å; I123-V171 CarbonylContact C-O 3.43Å; I123-V171 WeakPolarHBondContact CA-O 3.41Å; I123-V171 HydrophobicContact CG1-CB 4.34Å; I123-V171 HydrophobicContact CG2-CB 4.34Å; I123-V171 HydrophobicContact CG2-CG1 4.49Å; I123-A269 HydrophobicContact CD1-CB 4.26Å
124N98.9Very high95.4Very high0 Ų039.8 Ų39.80%022%0.218CC..EExtended strand (participates in β ladder)trans-78.676.5173-68.9-32.8000109H151 T155 V171 N172 V173N124-H151 HydrophobicContact CB-CB 4.05Å; N124-H151 VanDerWaalsContact CB-CD2 3.46Å; N124-H151 WeakPolarHBondContact CB-CD2 3.35Å; N124-H151 PolarHBondContact OD1-CD2 3.09Å; N124-H151 VanDerWaalsContact OD1-CD2 3.24Å; N124-T155 PolarHBondContact ND2-OG1 2.66Å; N124-V171 PolarHBondContact N-O 3.11Å; N124-N172 WeakPolarHBondContact CB-OD1 3.43Å; N124-N172 PolarHBondContact ND2-OD1 3.01Å; N124-V173 PolarHBondContact O-N 2.89Å
125N98.3Very high95.4Very high19 Ų1940.3 Ų40.310%0.10220%0.203CC..  trans-96-34.2-174158.887.3000113.8I44 T45 G46 G52 I123 V173I44-N125 HydrophobicContact CG2-CB 4.21Å; T45-N125 WeakPolarHBondContact O-CB 3.19Å; T45-N125 PolarHBondContact O-ND2 3.07Å; T45-N125 PolarHBondContact OG1-N 2.83Å; G46-N125 PolarHBondContact O-ND2 3.36Å; G52-N125 WeakPolarHBondContact CA-ND2 3.38Å; I123-N125 VanDerWaalsContact C-N 3.26Å; I123-N125 HydrophobicContact CG2-CB 3.91Å; I123-N125 PolarHBondContact O-N 2.88Å; N125-V173 HydrophobicContact CB-CG2 3.92Å
126A95.1Very high95.5Very high15 Ų1536.7 Ų36.712%0.12419%0.187CC..  trans-54.7153.9-174.300000112.2T45 L99 H151T45-A126 PolarHBondContact O-N 3.47Å; T45-A126 VanDerWaalsContact O-N 3.11Å; T45-A126 WeakPolarHBondContact OG1-CB 3.31Å; T45-A126 PolarHBondContact OG1-N 3.35Å; L99-A126 HydrophobicContact CD1-CB 3.47Å; L99-A126 VanDerWaalsContact CD1-CB 3.47Å; A126-H151 PolarHBondContact O-CE1 3.11Å
127G93.3Very high95.5Very high21 Ų2139.5 Ų39.522%0.21621%0.214CC..  trans-176.6168.1169.900000113.3N147 L237G127-N147 WeakPolarHBondContact CA-OD1 3.03Å; G127-L237 WeakPolarHBondContact O-CD2 3.26Å
128V92.4Very high95.5Very high22 Ų2233.8 Ų33.813%0.13319%0.192CC..  trans-126151174-64.30000109.1T142 H143 V146 N147 Y200V128-T142 HydrophobicContact CG2-CG2 3.9Å; V128-H143 PolarHBondContact O-CD2 3.47Å; V128-V146 HydrophobicContact CG1-CG1 4.15Å; V128-V146 HydrophobicContact CG2-CB 3.94Å; V128-V146 HydrophobicContact CG2-CG1 4.1Å; V128-V146 HydrophobicContact CG2-CG2 4.36Å; V128-N147 PolarHBondContact N-OD1 3.45Å; V128-N147 PolarHBondContact O-ND2 3.28Å; V128-N147 PolarHBondContact O-OD1 3.12Å; V128-Y200 VanDerWaalsContact O-CD2 3.27Å; V128-Y200 WeakPolarHBondContact O-CD2 3.13Å; V128-Y200 WeakPolarHBondContact O-CE2 3.46Å
129M89.4Confident95.5Very high23 Ų2330.9 Ų30.911%0.11319%0.186CC..  trans-145.9143-173.6178.2175.585.200109.7C131 Y200 L237 V238 L244M129-C131 PolarHBondContact O-N 3.1Å; M129-C131 VanDerWaalsContact O-N 3.15Å; M129-Y200 HydrophobicContact CB-CD1 4.48Å; M129-Y200 HydrophobicContact CB-CD2 3.83Å; M129-Y200 HydrophobicContact CB-CE1 4.43Å; M129-Y200 HydrophobicContact CB-CE2 3.78Å; M129-Y200 HydrophobicContact CB-CG 4.18Å; M129-Y200 HydrophobicContact CG-CD1 3.7Å; M129-Y200 HydrophobicContact CG-CD2 3.93Å; M129-Y200 HydrophobicContact CG-CE1 3.8Å; M129-Y200 HydrophobicContact CG-CE2 4.02Å; M129-Y200 HydrophobicContact CG-CG 3.76Å; M129-Y200 HydrophobicContact SD-CD1 3.86Å; M129-Y200 HydrophobicContact SD-CE1 3.44Å; M129-Y200 WeakPolarHBondContact SD-CE1 3.45Å; M129-Y200 HydrophobicContact SD-CE2 4.4Å; M129-Y200 HydrophobicContact SD-CG 4.49Å; M129-L237 HydrophobicContact CB-CB 4.12Å; M129-L237 HydrophobicContact CB-CD2 4.44Å; M129-L237 HydrophobicContact CE-CB 4.02Å; M129-V238 HydrophobicContact CE-CB 4.38Å; M129-V238 HydrophobicContact CE-CG1 3.46Å; M129-V238 VanDerWaalsContact CE-CG1 3.46Å; M129-L244 HydrophobicContact CE-CD1 4.42Å
130M85.7Confident95.5Very high47 Ų4731.7 Ų31.723%0.23219%0.189CC..SBendtrans56.926.3176.3-64.5-66.4-75.300114H143 R196 G197 L244M130-H143 PolarHBondContact N-NE2 2.93Å; M130-R196 HydrophobicContact CE-CB 4.46Å; M130-R196 WeakPolarHBondContact O-CD 3.5Å; M130-R196 HydrophobicContact SD-CB 4.12Å; M130-G197 WeakPolarHBondContact SD-CA 3.45Å; M130-G197 PolarHBondContact SD-N 3.45Å; M130-L244 HydrophobicContact CE-CD1 4.46Å; M130-L244 HydrophobicContact CG-CD1 4.03Å
131C84.9Confident95.4Very high8 Ų831.4 Ų31.45%0.05419%0.188CC..PPolyproline II helixtrans-66.2147.2175.6-62.90000111M129 T142 H143 Y194 R196M129-C131 PolarHBondContact O-N 3.1Å; M129-C131 VanDerWaalsContact O-N 3.15Å; C131-T142 HydrophobicContact CB-CG2 4.44Å; C131-H143 PolarHBondContact N-CE1 3.12Å; C131-H143 VanDerWaalsContact N-CE1 3.33Å; C131-H143 PolarHBondContact N-NE2 3.43Å; C131-Y194 PolarHBondContact O-OH 3.39Å; C131-R196 WeakPolarHBondContact O-CB 3.38Å; C131-R196 VanDerWaalsContact O-CD 3.28Å; C131-R196 WeakPolarHBondContact O-CD 3.25Å; C131-R196 WeakPolarHBondContact O-CG 3.28Å
132P91.1Very high95.4Very high61 Ų6131.9 Ų31.940%0.39619%0.191SC..PPolyproline II helixtrans-59163.2163.529.5-34.6000110.3S134P132-S134 PolarHBondContact O-N 3.24Å; P132-S134 VanDerWaalsContact O-N 3.14Å; P132-S134 PolarHBondContact O-OG 3.07Å
133Y95.4Very high95.3Very high92 Ų9231.9 Ų31.936%0.36119%0.191SC..SBendtrans-62.3121.7176.2-178.7-105.5000109.1K135 E141 E191 Y194Y133-K135 WeakPolarHBondContact OH-CE 3.35Å; Y133-E141 HydrophobicContact CD2-CG 4.38Å; Y133-E141 HydrophobicContact CE2-CG 4.21Å; Y133-E191 VanDerWaalsContact OH-CG 3.3Å; Y133-E191 WeakPolarHBondContact OH-CG 3.46Å; Y133-Y194 VanDerWaalsContact CA-CE1 3.48Å; Y133-Y194 HydrophobicContact CD2-CD1 4.28Å; Y133-Y194 AromaticContact CD2-CD2 3.52Å; Y133-Y194 HydrophobicContact CD2-CD2 3.52Å; Y133-Y194 HydrophobicContact CD2-CE1 4.5Å; Y133-Y194 AromaticContact CD2-CE2 3.8Å; Y133-Y194 HydrophobicContact CD2-CE2 3.8Å; Y133-Y194 AromaticContact CD2-CG 3.75Å; Y133-Y194 HydrophobicContact CD2-CG 3.75Å; Y133-Y194 HydrophobicContact CE2-CD2 4.33Å; Y133-Y194 HydrophobicContact CG-CD1 4.38Å; Y133-Y194 HydrophobicContact CG-CD2 4.37Å; Y133-Y194 HydrophobicContact CG-CG 4.19Å
134S96.8Very high95.3Very high47 Ų4732.4 Ų32.433%0.32919%0.194SC..  trans-153.7167.1175.752.30000109P132 T142P132-S134 PolarHBondContact O-N 3.24Å; P132-S134 VanDerWaalsContact O-N 3.14Å; P132-S134 PolarHBondContact O-OG 3.07Å; S134-T142 VanDerWaalsContact C-OG1 3.26Å; S134-T142 PolarHBondContact O-N 3.35Å; S134-T142 VanDerWaalsContact O-N 3.11Å; S134-T142 PolarHBondContact O-OG1 3.14Å; S134-T142 PolarHBondContact OG-OG1 2.9Å
135K97.9Very high95.3Very high101 Ų10132.5 Ų32.544%0.43920%0.195SC..BIsolated β-bridgetrans-113.1149.4177-68.7-176.5170.8-164.70111.2Y133 G139 F140 E191Y133-K135 WeakPolarHBondContact OH-CE 3.35Å; K135-G139 WeakPolarHBondContact CD-O 3.4Å; K135-F140 CarbonylContact C-O 3.59Å; K135-F140 WeakPolarHBondContact CA-O 3.33Å; K135-E191 WeakPolarHBondContact CE-OE1 3.28Å; K135-E191 IonicContact NZ-OE1 2.72Å; K135-E191 PolarHBondContact NZ-OE1 3.31Å
136T98.3Very high95.3Very high12 Ų1232.3 Ų32.37%0.07419%0.194CC..  trans-67.2173.2167.462.40000110.6S100 D138 G139 F140 V146S100-T136 VanDerWaalsContact O-CB 3.26Å; S100-T136 WeakPolarHBondContact O-CB 3.42Å; T136-D138 PolarHBondContact O-N 3.39Å; T136-G139 PolarHBondContact O-N 2.71Å; T136-F140 HydrophobicContact CG2-CB 4.37Å; T136-F140 PolarHBondContact N-O 3.47Å; T136-F140 WeakPolarHBondContact OG1-CB 3.34Å; T136-F140 PolarHBondContact OG1-N 3.08Å; T136-F140 PolarHBondContact OG1-O 3.41Å; T136-V146 HydrophobicContact CG2-CG2 4.47Å
137A97.9Very high95.4Very high80 Ų8031.6 Ų31.666%0.66119%0.188SC*.THydrogen-bonded Turntrans-56.7-32.3174.900000112S100 D101 G139S100-A137 WeakPolarHBondContact O-CB 3.35Å; S100-A137 PolarHBondContact O-N 2.97Å; D101-A137 HydrophobicContact CB-CB 3.99Å; A137-G139 VanDerWaalsContact C-N 3.34Å
138D97.8Very high95.7Very high55 Ų5530.7 Ų30.729%0.29418%0.178SC..THydrogen-bonded Turntrans-88.15.5178.4-46-90.1000114.1D101 T102 T136 F140D101-D138 WeakPolarHBondContact CA-OD2 3.38Å; T102-D138 WeakPolarHBondContact CB-OD1 3.31Å; T102-D138 HydrophobicContact CG2-CB 4.31Å; T102-D138 VanDerWaalsContact CG2-CG 3.44Å; T102-D138 WeakPolarHBondContact CG2-OD1 3.4Å; T102-D138 WeakPolarHBondContact CG2-OD2 3.27Å; T102-D138 PolarHBondContact N-OD2 3.35Å; T102-D138 PolarHBondContact OG1-OD1 3.46Å; T136-D138 PolarHBondContact O-N 3.39Å; D138-F140 HydrophobicContact CB-CD2 4.03Å; D138-F140 HydrophobicContact CB-CE2 3.63Å; D138-F140 HydrophobicContact CB-CZ 3.96Å
139G97.7Very high96Very high28 Ų2829.7 Ų29.729%0.28917%0.172SC..SBendtrans8610.117500000116.1K135 T136 A137K135-G139 WeakPolarHBondContact CD-O 3.4Å; T136-G139 PolarHBondContact O-N 2.71Å; A137-G139 VanDerWaalsContact C-N 3.34Å
140F98.4Very high96.5Very high18 Ų1828.7 Ų28.78%0.07917%0.168CC..  trans-86.3149.1178.3-48.1-42.3000112T102 K135 T136 D138 T142 L149 L310 L311T102-F140 HydrophobicContact CG2-CE2 4.39Å; K135-F140 CarbonylContact C-O 3.59Å; K135-F140 WeakPolarHBondContact CA-O 3.33Å; T136-F140 HydrophobicContact CG2-CB 4.37Å; T136-F140 PolarHBondContact N-O 3.47Å; T136-F140 WeakPolarHBondContact OG1-CB 3.34Å; T136-F140 PolarHBondContact OG1-N 3.08Å; T136-F140 PolarHBondContact OG1-O 3.41Å; D138-F140 HydrophobicContact CB-CD2 4.03Å; D138-F140 HydrophobicContact CB-CE2 3.63Å; D138-F140 HydrophobicContact CB-CZ 3.96Å; F140-T142 PolarHBondContact O-N 3.07Å; F140-L149 HydrophobicContact CB-CD1 4.05Å; F140-L149 HydrophobicContact CD1-CD1 4.1Å; F140-L149 HydrophobicContact CD2-CD1 3.59Å; F140-L149 HydrophobicContact CE1-CD1 4.47Å; F140-L149 HydrophobicContact CE2-CD1 4.03Å; F140-L149 HydrophobicContact CG-CD1 3.63Å; F140-L149 HydrophobicContact CZ-CD1 4.44Å; F140-L310 HydrophobicContact CE1-CB 4.01Å; F140-L310 HydrophobicContact CE1-CD2 4.14Å; F140-L310 HydrophobicContact CZ-CB 4.24Å; F140-L310 VanDerWaalsContact CZ-O 3.28Å; F140-L310 WeakPolarHBondContact CZ-O 3.44Å; F140-L311 HydrophobicContact CE2-CD2 4.03Å; F140-L311 HydrophobicContact CZ-CD2 4.4Å
141E98.3Very high97.1Very high4 Ų426.6 Ų26.62%0.01916%0.158CC..BIsolated β-bridgetrans-54.8133.8170.7-172-77.8140.600110.3Y133 H143 L144 G145 Q189 Y194Y133-E141 HydrophobicContact CD2-CG 4.38Å; Y133-E141 HydrophobicContact CE2-CG 4.21Å; E141-H143 PolarHBondContact O-N 3.3Å; E141-H143 IonicContact OE1-CE1 2.78Å; E141-H143 IonicContact OE1-CG 3.56Å; E141-H143 PolarHBondContact OE1-N 3.11Å; E141-H143 VanDerWaalsContact OE1-N 3.07Å; E141-H143 IonicContact OE1-ND1 3.62Å; E141-H143 PolarHBondContact OE1-ND1 2.89Å; E141-H143 WeakPolarHBondContact OE2-CA 3.34Å; E141-H143 WeakPolarHBondContact OE2-CB 3.21Å; E141-H143 PolarHBondContact OE2-N 3.48Å; E141-H143 IonicContact OE2-ND1 3.84Å; E141-L144 HydrophobicContact CB-CB 4.41Å; E141-L144 PolarHBondContact O-N 3.22Å; E141-L144 PolarHBondContact OE2-N 3.32Å; E141-G145 PolarHBondContact O-N 3.06Å; E141-Q189 VanDerWaalsContact CB-O 3.32Å; E141-Q189 WeakPolarHBondContact CB-O 3.23Å; E141-Q189 WeakPolarHBondContact CG-O 3.25Å; E141-Y194 HydrophobicContact CG-CD2 4.47Å; E141-Y194 HydrophobicContact CG-CE2 3.79Å; E141-Y194 VanDerWaalsContact OE1-CE2 3.28Å; E141-Y194 WeakPolarHBondContact OE1-CE2 3.22Å; E141-Y194 PolarHBondContact OE1-OH 2.64Å
142T97.9Very high97.8Very high17 Ų1726.3 Ų26.310%0.10416%0.156CC..Hα-helixtrans-55.8-41.1-167.8-64.50000115.2V128 C131 S134 F140 V146V128-T142 HydrophobicContact CG2-CG2 3.9Å; C131-T142 HydrophobicContact CB-CG2 4.44Å; S134-T142 VanDerWaalsContact C-OG1 3.26Å; S134-T142 PolarHBondContact O-N 3.35Å; S134-T142 VanDerWaalsContact O-N 3.11Å; S134-T142 PolarHBondContact O-OG1 3.14Å; S134-T142 PolarHBondContact OG-OG1 2.9Å; F140-T142 PolarHBondContact O-N 3.07Å; T142-V146 HydrophobicContact CG2-CG2 4.41Å; T142-V146 VanDerWaalsContact O-CB 3.29Å; T142-V146 WeakPolarHBondContact O-CB 3.46Å; T142-V146 WeakPolarHBondContact O-CG2 3.4Å; T142-V146 PolarHBondContact O-N 3.42Å
143H97.8Very high98.1Very high0 Ų023.4 Ų23.40%014%0.137CC..Hα-helixtrans-71.6-43.9178.2-58.383.8000111.7V128 M130 C131 E141 N147 Y194 A199 S203V128-H143 PolarHBondContact O-CD2 3.47Å; M130-H143 PolarHBondContact N-NE2 2.93Å; C131-H143 PolarHBondContact N-CE1 3.12Å; C131-H143 VanDerWaalsContact N-CE1 3.33Å; C131-H143 PolarHBondContact N-NE2 3.43Å; E141-H143 PolarHBondContact O-N 3.3Å; E141-H143 IonicContact OE1-CE1 2.78Å; E141-H143 IonicContact OE1-CG 3.56Å; E141-H143 PolarHBondContact OE1-N 3.11Å; E141-H143 VanDerWaalsContact OE1-N 3.07Å; E141-H143 IonicContact OE1-ND1 3.62Å; E141-H143 PolarHBondContact OE1-ND1 2.89Å; E141-H143 WeakPolarHBondContact OE2-CA 3.34Å; E141-H143 WeakPolarHBondContact OE2-CB 3.21Å; E141-H143 PolarHBondContact OE2-N 3.48Å; E141-H143 IonicContact OE2-ND1 3.84Å; H143-N147 WeakPolarHBondContact O-CB 3.45Å; H143-N147 PolarHBondContact O-N 2.97Å; H143-Y194 PolarHBondContact CE1-OH 3.33Å; H143-Y194 PolarHBondContact ND1-OH 2.64Å; H143-Y194 VanDerWaalsContact ND1-OH 3.08Å; H143-A199 HydrophobicContact CB-CB 4.47Å; H143-S203 WeakPolarHBondContact O-CB 3.44Å
144L98.4Very high98.3Very high11 Ų1119 Ų196%0.05812%0.12CC..Hα-helixtrans-61.2-48.8175.4179.568.1000111.1E141 H148 L149 L188E141-L144 HydrophobicContact CB-CB 4.41Å; E141-L144 PolarHBondContact O-N 3.22Å; E141-L144 PolarHBondContact OE2-N 3.32Å; L144-H148 HydrophobicContact CD1-CB 4.4Å; L144-H148 WeakPolarHBondContact O-CB 3.5Å; L144-H148 PolarHBondContact O-N 2.95Å; L144-L149 HydrophobicContact CD2-CD1 4.17Å; L144-L149 HydrophobicContact CG-CD1 3.98Å; L144-L149 HydrophobicContact CG-CG 4.17Å; L144-L149 PolarHBondContact O-N 3.45Å; L144-L188 HydrophobicContact CD2-CD2 4.22Å; L144-L188 HydrophobicContact CD2-CG 3.78Å
145G98.4Very high98.4Very high1 Ų116.8 Ų16.81%0.0110%0.104CC..Iπ-helixtrans-58.7-56.2179.800000112E141 L149 G150E141-G145 PolarHBondContact O-N 3.06Å; G145-L149 PolarHBondContact O-N 2.89Å; G145-G150 PolarHBondContact O-N 3.31Å
146V98.3Very high98.4Very high15 Ų1515.3 Ų15.39%0.09110%0.096CC..Iπ-helixtrans-76.2-48.8-175.3174.30000112.6L99 V128 T136 T142L99-V146 HydrophobicContact CB-CG1 4.08Å; V128-V146 HydrophobicContact CG1-CG1 4.15Å; V128-V146 HydrophobicContact CG2-CB 3.94Å; V128-V146 HydrophobicContact CG2-CG1 4.1Å; V128-V146 HydrophobicContact CG2-CG2 4.36Å; T136-V146 HydrophobicContact CG2-CG2 4.47Å; T142-V146 HydrophobicContact CG2-CG2 4.41Å; T142-V146 VanDerWaalsContact O-CB 3.29Å; T142-V146 WeakPolarHBondContact O-CB 3.46Å; T142-V146 WeakPolarHBondContact O-CG2 3.4Å; T142-V146 PolarHBondContact O-N 3.42Å
147N98.4Very high98.5Very high0 Ų016.7 Ų16.70%010%0.103CC..Iπ-helixtrans-79.1-27.6-168.7-58.9-17000112.7G127 V128 H143 H151 S203 N207G127-N147 WeakPolarHBondContact CA-OD1 3.03Å; V128-N147 PolarHBondContact N-OD1 3.45Å; V128-N147 PolarHBondContact O-ND2 3.28Å; V128-N147 PolarHBondContact O-OD1 3.12Å; H143-N147 WeakPolarHBondContact O-CB 3.45Å; H143-N147 PolarHBondContact O-N 2.97Å; N147-H151 PolarHBondContact O-ND1 3.33Å; N147-S203 PolarHBondContact ND2-OG 2.96Å; N147-N207 PolarHBondContact O-ND2 2.89Å; N147-N207 PolarHBondContact O-OD1 2.96Å; N147-N207 VanDerWaalsContact O-OD1 3.04Å
148H98.8Very high98.5Very high2 Ų212.9 Ų12.91%0.0097%0.072CC..Iπ-helixtrans-119.1-65.5-174.8175.371.3000112.5L144 G150 H151 F152 A206 S307L144-H148 HydrophobicContact CD1-CB 4.4Å; L144-H148 WeakPolarHBondContact O-CB 3.5Å; L144-H148 PolarHBondContact O-N 2.95Å; H148-G150 PolarHBondContact O-N 2.94Å; H148-H151 PolarHBondContact O-N 2.99Å; H148-F152 WeakPolarHBondContact O-CB 3.48Å; H148-F152 PolarHBondContact O-N 2.92Å; H148-A206 HydrophobicContact CB-CB 4.01Å; H148-S307 PolarHBondContact NE2-OG 3.42Å
149L98.9Very high98.5Very high1 Ų110.6 Ų10.61%0.0056%0.059CC..Iπ-helixtrans-63.1-39.1-172-66.3173.9000113F140 L144 G145 F152 L153 L310 L311F140-L149 HydrophobicContact CB-CD1 4.05Å; F140-L149 HydrophobicContact CD1-CD1 4.1Å; F140-L149 HydrophobicContact CD2-CD1 3.59Å; F140-L149 HydrophobicContact CE1-CD1 4.47Å; F140-L149 HydrophobicContact CE2-CD1 4.03Å; F140-L149 HydrophobicContact CG-CD1 3.63Å; F140-L149 HydrophobicContact CZ-CD1 4.44Å; L144-L149 HydrophobicContact CD2-CD1 4.17Å; L144-L149 HydrophobicContact CG-CD1 3.98Å; L144-L149 HydrophobicContact CG-CG 4.17Å; L144-L149 PolarHBondContact O-N 3.45Å; G145-L149 PolarHBondContact O-N 2.89Å; L149-F152 WeakPolarHBondContact O-CB 3.42Å; L149-F152 PolarHBondContact O-N 3.17Å; L149-L153 PolarHBondContact O-N 3.07Å; L149-L310 HydrophobicContact CD1-CD1 4.1Å; L149-L310 HydrophobicContact CD2-CD1 4.38Å; L149-L311 HydrophobicContact CB-CD2 4.37Å; L149-L311 HydrophobicContact CD2-CD1 4.27Å; L149-L311 HydrophobicContact CD2-CG 4.43Å
150G98.8Very high98.5Very high3 Ų314.8 Ų14.83%0.0317%0.071CC..Hα-helixtrans-63.9-42.8177.500000112.2I105 G145 H148 L154I105-G150 VanDerWaalsContact CD1-CA 3.48Å; G145-G150 PolarHBondContact O-N 3.31Å; H148-G150 PolarHBondContact O-N 2.94Å; G150-L154 WeakPolarHBondContact O-CB 3.43Å; G150-L154 PolarHBondContact O-N 3.5Å
151H98.9Very high98.6Very high3 Ų316.5 Ų16.51%0.0148%0.077CC..Hα-helixtrans-70.6-34.5174.4-69.3124.1000112.9T45 L99 N124 A126 N147 H148 L154 T155T45-H151 PolarHBondContact OG1-NE2 2.89Å; L99-H151 VanDerWaalsContact CD1-NE2 3.26Å; L99-H151 WeakPolarHBondContact CD1-NE2 3.3Å; N124-H151 HydrophobicContact CB-CB 4.05Å; N124-H151 VanDerWaalsContact CB-CD2 3.46Å; N124-H151 WeakPolarHBondContact CB-CD2 3.35Å; N124-H151 PolarHBondContact OD1-CD2 3.09Å; N124-H151 VanDerWaalsContact OD1-CD2 3.24Å; A126-H151 PolarHBondContact O-CE1 3.11Å; N147-H151 PolarHBondContact O-ND1 3.33Å; H148-H151 PolarHBondContact O-N 2.99Å; H151-L154 PolarHBondContact O-N 3.4Å; H151-T155 VanDerWaalsContact O-CB 3.31Å; H151-T155 WeakPolarHBondContact O-CB 3.39Å; H151-T155 PolarHBondContact O-N 3.27Å; H151-T155 PolarHBondContact O-OG1 3.03Å
152F98.9Very high98.6Very high1 Ų116.3 Ų16.30%0.0048%0.076CC..Hα-helixtrans-59.5-51.4174.3-171.4-82.1000110H148 L149 T155 Y156 F210 W304 L311 I313 W315H148-F152 WeakPolarHBondContact O-CB 3.48Å; H148-F152 PolarHBondContact O-N 2.92Å; L149-F152 WeakPolarHBondContact O-CB 3.42Å; L149-F152 PolarHBondContact O-N 3.17Å; F152-T155 PolarHBondContact O-N 3.42Å; F152-Y156 WeakPolarHBondContact O-CB 3.26Å; F152-Y156 PolarHBondContact O-N 2.88Å; F152-F210 AromaticContact CD2-CD2 3.34Å; F152-F210 HydrophobicContact CD2-CD2 3.34Å; F152-F210 AromaticContact CD2-CE2 3.32Å; F152-F210 HydrophobicContact CD2-CE2 3.32Å; F152-F210 HydrophobicContact CD2-CG 4.21Å; F152-F210 HydrophobicContact CD2-CZ 4.17Å; F152-F210 AromaticContact CE2-CD2 3.62Å; F152-F210 HydrophobicContact CE2-CD2 3.62Å; F152-F210 AromaticContact CE2-CE2 3.63Å; F152-F210 HydrophobicContact CE2-CE2 3.63Å; F152-F210 HydrophobicContact CG-CD2 4.46Å; F152-F210 HydrophobicContact CG-CE2 4.15Å; F152-W304 AromaticContact CE2-CD2 3.7Å; F152-W304 HydrophobicContact CE2-CD2 3.7Å; F152-W304 AromaticContact CE2-CE3 3.64Å; F152-W304 HydrophobicContact CE2-CE3 3.64Å; F152-W304 HydrophobicContact CE2-CG 4.25Å; F152-W304 HydrophobicContact CE2-CH2 4.36Å; F152-W304 HydrophobicContact CE2-CZ2 4.41Å; F152-W304 AromaticContact CE2-CZ3 3.98Å; F152-W304 HydrophobicContact CE2-CZ3 3.98Å; F152-W304 AromaticContact CZ-CD2 3.79Å; F152-W304 HydrophobicContact CZ-CD2 3.79Å; F152-W304 AromaticContact CZ-CE2 3.78Å; F152-W304 HydrophobicContact CZ-CE3 4.19Å; F152-W304 HydrophobicContact CZ-CG 4.12Å; F152-W304 HydrophobicContact CZ-CZ2 4.24Å; F152-L311 HydrophobicContact CB-CD1 4.29Å; F152-L311 HydrophobicContact CD1-CD1 3.54Å; F152-L311 HydrophobicContact CE1-CD1 4.33Å; F152-L311 HydrophobicContact CG-CD1 4.28Å; F152-I313 HydrophobicContact CD1-CD1 4.09Å; F152-I313 HydrophobicContact CE1-CD1 3.82Å; F152-W315 HydrophobicContact CD1-CE3 4.24Å; F152-W315 AromaticContact CD1-CZ3 3.86Å; F152-W315 HydrophobicContact CD1-CZ3 3.86Å; F152-W315 HydrophobicContact CD2-CZ3 4.45Å; F152-W315 AromaticContact CE1-CE3 3.46Å; F152-W315 HydrophobicContact CE1-CE3 3.46Å; F152-W315 VanDerWaalsContact CE1-CE3 3.46Å; F152-W315 AromaticContact CE1-CZ3 3.52Å; F152-W315 HydrophobicContact CE1-CZ3 3.52Å; F152-W315 HydrophobicContact CE2-CE3 4.38Å; F152-W315 HydrophobicContact CE2-CZ3 4.13Å; F152-W315 HydrophobicContact CG-CZ3 4.32Å; F152-W315 AromaticContact CZ-CE3 3.53Å; F152-W315 HydrophobicContact CZ-CE3 3.53Å; F152-W315 AromaticContact CZ-CZ3 3.66Å; F152-W315 HydrophobicContact CZ-CZ3 3.66Å
153L98.9Very high98.6Very high0 Ų018.4 Ų18.40%08%0.084CC..Hα-helixtrans-62.4-45176.6-178.360.3000111.9T102 I105 L149 T155 Y156 L157 L311 I313T102-L153 HydrophobicContact CG2-CD2 3.73Å; I105-L153 HydrophobicContact CB-CD2 4.08Å; I105-L153 HydrophobicContact CD1-CD2 4.17Å; I105-L153 HydrophobicContact CG2-CB 4.29Å; I105-L153 HydrophobicContact CG2-CD2 3.97Å; I105-L153 HydrophobicContact CG2-CG 3.92Å; L149-L153 PolarHBondContact O-N 3.07Å; L153-T155 VanDerWaalsContact C-N 3.32Å; L153-T155 PolarHBondContact O-N 3.4Å; L153-Y156 HydrophobicContact CD1-CD1 4.3Å; L153-Y156 WeakPolarHBondContact O-CB 3.38Å; L153-Y156 PolarHBondContact O-N 3.01Å; L153-L157 HydrophobicContact CD1-CD1 4.01Å; L153-L157 HydrophobicContact CD1-CG 4.08Å; L153-L157 HydrophobicContact CG-CD1 3.87Å; L153-L157 HydrophobicContact CG-CG 4.38Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.31Å; L153-L157 PolarHBondContact O-N 2.82Å; L153-L311 HydrophobicContact CB-CD1 3.98Å; L153-L311 HydrophobicContact CB-CD2 4.17Å; L153-L311 HydrophobicContact CD2-CD2 4.27Å; L153-I313 HydrophobicContact CD1-CD1 4.35Å; L153-I313 HydrophobicContact CD1-CG2 4.03Å
154L98.9Very high98.6Very high0 Ų023.8 Ų23.80%012%0.116CC..Hα-helixtrans-59.2-45.1178-179.465.5000111.6T45 L97 I105 F108 L122 G150 H151 L157 L158T45-L154 HydrophobicContact CG2-CD2 3.44Å; T45-L154 VanDerWaalsContact CG2-CD2 3.44Å; L97-L154 HydrophobicContact CD2-CD2 3.92Å; I105-L154 HydrophobicContact CG2-CB 4.01Å; I105-L154 HydrophobicContact CG2-CD1 4.27Å; F108-L154 HydrophobicContact CD1-CD1 3.59Å; F108-L154 HydrophobicContact CE1-CD1 3.74Å; L122-L154 HydrophobicContact CD1-CD2 4.22Å; G150-L154 WeakPolarHBondContact O-CB 3.43Å; G150-L154 PolarHBondContact O-N 3.5Å; H151-L154 PolarHBondContact O-N 3.4Å; L154-L157 PolarHBondContact O-N 2.71Å; L154-L158 HydrophobicContact CD1-CD1 3.74Å; L154-L158 HydrophobicContact CD1-CG 4.27Å; L154-L158 HydrophobicContact CG-CD1 4.05Å; L154-L158 WeakPolarHBondContact O-CG 3.31Å; L154-L158 PolarHBondContact O-N 3.45Å; L154-L158 VanDerWaalsContact O-N 3.12Å
155T98.9Very high98.6Very high0 Ų023.4 Ų23.40%012%0.115CC..Hα-helixtrans-65.8-40.3179.5-53.80000111L122 N124 H151 F152 L153 L158 L159 V170 F210 L214 W315L122-T155 HydrophobicContact CD2-CG2 4.26Å; N124-T155 PolarHBondContact ND2-OG1 2.66Å; H151-T155 VanDerWaalsContact O-CB 3.31Å; H151-T155 WeakPolarHBondContact O-CB 3.39Å; H151-T155 PolarHBondContact O-N 3.27Å; H151-T155 PolarHBondContact O-OG1 3.03Å; F152-T155 PolarHBondContact O-N 3.42Å; L153-T155 VanDerWaalsContact C-N 3.32Å; L153-T155 PolarHBondContact O-N 3.4Å; T155-L158 PolarHBondContact O-N 2.87Å; T155-L159 WeakPolarHBondContact O-CA 3.22Å; T155-L159 WeakPolarHBondContact O-CB 3.37Å; T155-L159 PolarHBondContact O-N 3.45Å; T155-L159 VanDerWaalsContact O-N 3.08Å; T155-V170 HydrophobicContact CG2-CG1 4.21Å; T155-V170 HydrophobicContact CG2-CG2 4.38Å; T155-F210 HydrophobicContact CG2-CZ 3.98Å; T155-L214 HydrophobicContact CG2-CD1 4.46Å; T155-L214 HydrophobicContact CG2-CD2 3.93Å; T155-W315 HydrophobicContact CG2-CH2 4.27Å
156Y98.8Very high98.6Very high70 Ų7025.5 Ų25.528%0.27513%0.132SC..Hα-helixtrans-56.7-52.1173.6173-106.9000111.5F152 L153 L158 L159 I313 R314 W315F152-Y156 WeakPolarHBondContact O-CB 3.26Å; F152-Y156 PolarHBondContact O-N 2.88Å; L153-Y156 HydrophobicContact CD1-CD1 4.3Å; L153-Y156 WeakPolarHBondContact O-CB 3.38Å; L153-Y156 PolarHBondContact O-N 3.01Å; Y156-L158 VanDerWaalsContact C-N 3.27Å; Y156-L158 PolarHBondContact O-N 2.91Å; Y156-L159 VanDerWaalsContact O-CB 3.25Å; Y156-L159 WeakPolarHBondContact O-CB 3.27Å; Y156-L159 PolarHBondContact O-N 3.29Å; Y156-I313 HydrophobicContact CD1-CB 4.32Å; Y156-I313 HydrophobicContact CD1-CD1 3.76Å; Y156-I313 HydrophobicContact CD1-CG2 4.15Å; Y156-I313 HydrophobicContact CD2-CD1 4.06Å; Y156-I313 HydrophobicContact CE1-CB 3.98Å; Y156-I313 HydrophobicContact CE1-CD1 4.27Å; Y156-I313 HydrophobicContact CE1-CG2 3.89Å; Y156-I313 HydrophobicContact CG-CD1 3.65Å; Y156-R314 VanDerWaalsContact CE2-O 3.31Å; Y156-R314 WeakPolarHBondContact CE2-O 3.49Å; Y156-R314 PolarHBondContact OH-O 3.18Å; Y156-R314 VanDerWaalsContact OH-O 3.1Å; Y156-W315 VanDerWaalsContact CB-CZ3 3.43Å; Y156-W315 HydrophobicContact CD2-CB 4.49Å; Y156-W315 AromaticContact CD2-CD2 3.69Å; Y156-W315 HydrophobicContact CD2-CD2 3.69Å; Y156-W315 AromaticContact CD2-CE3 3.58Å; Y156-W315 HydrophobicContact CD2-CE3 3.58Å; Y156-W315 HydrophobicContact CD2-CG 4.14Å; Y156-W315 HydrophobicContact CD2-CZ3 4.07Å; Y156-W315 HydrophobicContact CE2-CB 4.49Å; Y156-W315 HydrophobicContact CE2-CD2 4.46Å; Y156-W315 HydrophobicContact CE2-CG 4.47Å; Y156-W315 HydrophobicContact CG-CE3 4.09Å; Y156-W315 HydrophobicContact CG-CZ3 4.2Å
157L98.8Very high98.5Very high42 Ų4229.5 Ų29.522%0.2216%0.158CC..Hα-helixtrans-66.5-29.1-175.4-66.3168.4000113I105 R106 A109 L153 L154I105-L157 HydrophobicContact CG2-CD1 4.04Å; R106-L157 HydrophobicContact CG-CD1 3.92Å; A109-L157 HydrophobicContact CB-CB 3.66Å; A109-L157 HydrophobicContact CB-CD1 3.83Å; A109-L157 HydrophobicContact CB-CG 4.34Å; L153-L157 HydrophobicContact CD1-CD1 4.01Å; L153-L157 HydrophobicContact CD1-CG 4.08Å; L153-L157 HydrophobicContact CG-CD1 3.87Å; L153-L157 HydrophobicContact CG-CG 4.38Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.31Å; L153-L157 PolarHBondContact O-N 2.82Å; L154-L157 PolarHBondContact O-N 2.71Å
158L98.8Very high98.5Very high0 Ų029.5 Ų29.50%016%0.159CC..THydrogen-bonded Turntrans-962.1180-61.3179.6000113.4F108 A109 F112 L113 L119 L122 L154 T155 Y156 E160 R161 L162F108-L158 HydrophobicContact CE1-CD1 4.32Å; A109-L158 HydrophobicContact CB-CD2 4.12Å; F112-L158 HydrophobicContact CD1-CD2 3.66Å; F112-L158 HydrophobicContact CE1-CD2 4.23Å; L113-L158 HydrophobicContact CD1-CD2 4.44Å; L113-L158 HydrophobicContact CD2-CD2 4.12Å; L113-L158 HydrophobicContact CG-CD2 4.07Å; L119-L158 HydrophobicContact CD2-CB 3.83Å; L119-L158 HydrophobicContact CD2-CD1 3.86Å; L119-L158 HydrophobicContact CD2-CG 4.32Å; L122-L158 HydrophobicContact CD1-CD1 4.35Å; L154-L158 HydrophobicContact CD1-CD1 3.74Å; L154-L158 HydrophobicContact CD1-CG 4.27Å; L154-L158 HydrophobicContact CG-CD1 4.05Å; L154-L158 WeakPolarHBondContact O-CG 3.31Å; L154-L158 PolarHBondContact O-N 3.45Å; L154-L158 VanDerWaalsContact O-N 3.12Å; T155-L158 PolarHBondContact O-N 2.87Å; Y156-L158 VanDerWaalsContact C-N 3.27Å; Y156-L158 PolarHBondContact O-N 2.91Å; L158-E160 PolarHBondContact O-N 3.42Å; L158-R161 WeakPolarHBondContact O-CB 3.3Å; L158-R161 PolarHBondContact O-N 3.34Å; L158-L162 PolarHBondContact O-N 3.04Å; L158-L162 VanDerWaalsContact O-N 3.08Å
159L98.4Very high98.5Very high7 Ų730.7 Ų30.74%0.03716%0.163CC..Hα-helixtrans-62.2-48-168.8-166.166.2000112.8T155 Y156 R161 L162 K163 L214 L218 W315T155-L159 WeakPolarHBondContact O-CA 3.22Å; T155-L159 WeakPolarHBondContact O-CB 3.37Å; T155-L159 PolarHBondContact O-N 3.45Å; T155-L159 VanDerWaalsContact O-N 3.08Å; Y156-L159 VanDerWaalsContact O-CB 3.25Å; Y156-L159 WeakPolarHBondContact O-CB 3.27Å; Y156-L159 PolarHBondContact O-N 3.29Å; L159-R161 PolarHBondContact O-N 2.94Å; L159-L162 WeakPolarHBondContact O-CB 3.42Å; L159-L162 PolarHBondContact O-N 3.02Å; L159-L162 VanDerWaalsContact O-N 3.11Å; L159-K163 WeakPolarHBondContact O-CG 3.35Å; L159-K163 PolarHBondContact O-N 3.37Å; L159-L214 HydrophobicContact CD1-CD1 4.39Å; L159-L218 HydrophobicContact CD1-CD1 4.25Å; L159-L218 HydrophobicContact CD1-CD2 3.84Å; L159-L218 HydrophobicContact CD2-CD2 4.49Å; L159-L218 HydrophobicContact CG-CD2 4.39Å; L159-W315 HydrophobicContact CD1-CZ2 4.13Å; L159-W315 HydrophobicContact CD2-CZ2 3.69Å; L159-W315 HydrophobicContact CG-CZ2 4.43Å
160E98.1Very high98.5Very high116 Ų11630.6 Ų30.654%0.54216%0.163SC..Hα-helixtrans-63.3-35.2-179.6-64.8-49.2117.700111.3L158 L162 K163 V164L158-E160 PolarHBondContact O-N 3.42Å; E160-L162 PolarHBondContact O-N 2.9Å; E160-K163 PolarHBondContact O-N 2.72Å; E160-K163 WeakPolarHBondContact OE1-CD 3.43Å; E160-K163 WeakPolarHBondContact OE1-CE 3.26Å; E160-K163 IonicContact OE1-NZ 2.72Å; E160-K163 PolarHBondContact OE1-NZ 3.18Å; E160-K163 IonicContact OE2-NZ 3.69Å; E160-V164 WeakPolarHBondContact O-CG2 3.46Å; E160-V164 PolarHBondContact O-N 3.24Å
161R98.5Very high98.5Very high53 Ų5330.5 Ų30.520%0.216%0.161CC..Hα-helixtrans-64.2-41.7174.2-168.763.558.8151.621.1112.2L113 E116 K117 L119 L158 L159 K163 S165L113-R161 HydrophobicContact CD2-CB 3.71Å; L113-R161 HydrophobicContact CD2-CG 4.11Å; L113-R161 PolarHBondContact O-NH2 3.25Å; E116-R161 PolarHBondContact O-NH1 3.11Å; E116-R161 PolarHBondContact O-NH2 3.31Å; E116-R161 VanDerWaalsContact O-NH2 3.1Å; K117-R161 VanDerWaalsContact O-CD 3.28Å; K117-R161 WeakPolarHBondContact O-CD 3.37Å; K117-R161 PolarHBondContact O-NH1 2.94Å; L119-R161 HydrophobicContact CB-CB 4.26Å; L119-R161 HydrophobicContact CB-CG 3.56Å; L158-R161 WeakPolarHBondContact O-CB 3.3Å; L158-R161 PolarHBondContact O-N 3.34Å; L159-R161 PolarHBondContact O-N 2.94Å; R161-K163 VanDerWaalsContact C-N 3.35Å; R161-S165 VanDerWaalsContact O-CB 3.28Å; R161-S165 WeakPolarHBondContact O-CB 3.42Å; R161-S165 PolarHBondContact O-N 2.95Å; R161-S165 PolarHBondContact O-OG 3.05Å
162L98.8Very high98.5Very high0 Ų030.4 Ų30.40%016%0.161CC..Hα-helixtrans-61.4-43.6175.1-73.2158.8000111L119 L122 L158 L159 E160 S165 A166 A168 V170 V223L119-L162 HydrophobicContact CB-CD2 4.5Å; L119-L162 HydrophobicContact CD2-CD2 3.99Å; L119-L162 HydrophobicContact CD2-CG 3.92Å; L119-L162 HydrophobicContact CG-CD2 3.77Å; L119-L162 HydrophobicContact CG-CG 4.15Å; L122-L162 HydrophobicContact CB-CD2 4.29Å; L122-L162 HydrophobicContact CD2-CD1 4.3Å; L158-L162 PolarHBondContact O-N 3.04Å; L158-L162 VanDerWaalsContact O-N 3.08Å; L159-L162 WeakPolarHBondContact O-CB 3.42Å; L159-L162 PolarHBondContact O-N 3.02Å; L159-L162 VanDerWaalsContact O-N 3.11Å; E160-L162 PolarHBondContact O-N 2.9Å; L162-S165 CarbonylContact O-C 3.5Å; L162-S165 PolarHBondContact O-N 3.21Å; L162-A166 PolarHBondContact O-N 3.14Å; L162-A168 HydrophobicContact CB-CB 4.33Å; L162-A168 HydrophobicContact CD2-CB 3.96Å; L162-A168 VanDerWaalsContact O-CB 3.3Å; L162-A168 WeakPolarHBondContact O-CB 3.34Å; L162-V170 HydrophobicContact CD1-CG2 3.67Å; L162-V170 HydrophobicContact CD2-CG2 4.38Å; L162-V223 HydrophobicContact CB-CG1 4.22Å; L162-V223 HydrophobicContact CB-CG2 4.23Å
163K98.4Very high98.5Very high61 Ų6130.8 Ų30.827%0.26516%0.163SC..Hα-helixtrans-62.8-48.3178.2-68.5175-178.8168.20111.9L159 E160 R161 S165 A166 V223L159-K163 WeakPolarHBondContact O-CG 3.35Å; L159-K163 PolarHBondContact O-N 3.37Å; E160-K163 PolarHBondContact O-N 2.72Å; E160-K163 WeakPolarHBondContact OE1-CD 3.43Å; E160-K163 WeakPolarHBondContact OE1-CE 3.26Å; E160-K163 IonicContact OE1-NZ 2.72Å; E160-K163 PolarHBondContact OE1-NZ 3.18Å; E160-K163 IonicContact OE2-NZ 3.69Å; R161-K163 VanDerWaalsContact C-N 3.35Å; K163-S165 PolarHBondContact O-N 3.17Å; K163-A166 VanDerWaalsContact O-CB 3.24Å; K163-A166 WeakPolarHBondContact O-CB 3.33Å; K163-A166 PolarHBondContact O-N 3.26Å; K163-A166 VanDerWaalsContact O-N 3.13Å; K163-V223 HydrophobicContact CB-CG2 4.48Å; K163-V223 HydrophobicContact CG-CG2 4.13Å
164V98Very high98.4Very high113 Ų11330.8 Ų30.869%0.68516%0.163SC*.Hα-helixtrans-62.2-28.4176.8170.50000112E160 A166E160-V164 WeakPolarHBondContact O-CG2 3.46Å; E160-V164 PolarHBondContact O-N 3.24Å; V164-A166 VanDerWaalsContact C-N 3.34Å
165S98.4Very high98Very high4 Ų431.4 Ų31.43%0.02817%0.168CC..THydrogen-bonded Turntrans-93.710.7-179.6-49.60000113.4Q118 L119 H120 R161 L162 K163 P167Q118-S165 VanDerWaalsContact CA-OG 3.26Å; Q118-S165 WeakPolarHBondContact CA-OG 3.38Å; L119-S165 PolarHBondContact N-OG 3.24Å; L119-S165 WeakPolarHBondContact O-CB 3.39Å; L119-S165 PolarHBondContact O-OG 3.04Å; H120-S165 PolarHBondContact CD2-O 2.85Å; R161-S165 VanDerWaalsContact O-CB 3.28Å; R161-S165 WeakPolarHBondContact O-CB 3.42Å; R161-S165 PolarHBondContact O-N 2.95Å; R161-S165 PolarHBondContact O-OG 3.05Å; L162-S165 CarbonylContact O-C 3.5Å; L162-S165 PolarHBondContact O-N 3.21Å; K163-S165 PolarHBondContact O-N 3.17Å; S165-P167 CarbonylContact O-C 3.39Å
166A97.3Very high97.5Very high44 Ų4434.7 Ų34.736%0.36419%0.188SC..  trans-55.7140.6-178.800000111.2L162 K163 V164 T221L162-A166 PolarHBondContact O-N 3.14Å; K163-A166 VanDerWaalsContact O-CB 3.24Å; K163-A166 WeakPolarHBondContact O-CB 3.33Å; K163-A166 PolarHBondContact O-N 3.26Å; K163-A166 VanDerWaalsContact O-N 3.13Å; V164-A166 VanDerWaalsContact C-N 3.34Å; A166-T221 WeakPolarHBondContact CB-O 3.42Å
167P97.6Very high97Very high99 Ų9933.3 Ų33.364%0.64319%0.186SC*.SBendcis-71.7130.32.529.5-34.9000112.8S165 G222S165-P167 CarbonylContact O-C 3.39Å; P167-G222 WeakPolarHBondContact CA-O 3.49Å
168A98.6Very high96.7Very high1 Ų131.3 Ų31.31%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-135.1159.8-178.400000112.1H120 L162 G222 V223 T224H120-A168 CarbonylContact O-C 3.5Å; H120-A168 WeakPolarHBondContact O-CA 3.36Å; H120-A168 WeakPolarHBondContact O-CB 3.38Å; L162-A168 HydrophobicContact CB-CB 4.33Å; L162-A168 HydrophobicContact CD2-CB 3.96Å; L162-A168 VanDerWaalsContact O-CB 3.3Å; L162-A168 WeakPolarHBondContact O-CB 3.34Å; A168-G222 PolarHBondContact N-O 3.26Å; A168-V223 HydrophobicContact CB-CG1 4.38Å; A168-V223 HydrophobicContact CB-CG2 4.29Å; A168-V223 WeakPolarHBondContact O-CA 3.49Å; A168-T224 PolarHBondContact O-N 3.4Å
169R98.7Very high96.4Very high26 Ų2635.3 Ų35.310%0.09819%0.194CC..EExtended strand (participates in β ladder)trans-136135.9-171.5-56.2-169.8175-172.82.5112.6H120 I121 L122 T224 C268 A269 A271 E275H120-R169 PolarHBondContact O-N 2.69Å; I121-R169 CarbonylContact C-O 3.57Å; I121-R169 WeakPolarHBondContact CA-O 3.4Å; L122-R169 PolarHBondContact N-O 3.07Å; R169-T224 CarbonylContact C-O 3.53Å; R169-T224 WeakPolarHBondContact CA-O 3.48Å; R169-C268 WeakPolarHBondContact CD-O 3.36Å; R169-C268 PolarHBondContact NH1-O 3Å; R169-A269 WeakPolarHBondContact CD-O 3.36Å; R169-A271 VanDerWaalsContact CZ-O 3.24Å; R169-A271 PolarHBondContact NH1-O 3.2Å; R169-A271 PolarHBondContact NH2-O 3.48Å; R169-E275 IonicContact CZ-OE1 3.24Å; R169-E275 IonicContact NH2-OE1 3.5Å; R169-E275 PolarHBondContact NH2-OE1 3.07Å
170V98.9Very high96.1Very high0 Ų039.9 Ų39.90%022%0.218CC..EExtended strand (participates in β ladder)trans-113.5115171-176.60000109.9L122 T155 L162 L214 V223 T224 T225 Y226L122-V170 HydrophobicContact CB-CG2 4.41Å; L122-V170 HydrophobicContact CD2-CG1 4.36Å; L122-V170 CarbonylContact O-C 3.56Å; L122-V170 WeakPolarHBondContact O-CA 3.48Å; T155-V170 HydrophobicContact CG2-CG1 4.21Å; T155-V170 HydrophobicContact CG2-CG2 4.38Å; L162-V170 HydrophobicContact CD1-CG2 3.67Å; L162-V170 HydrophobicContact CD2-CG2 4.38Å; V170-L214 HydrophobicContact CB-CD2 4.3Å; V170-L214 HydrophobicContact CG1-CD2 4.14Å; V170-L214 HydrophobicContact CG2-CD2 4.48Å; V170-V223 HydrophobicContact CG2-CG1 4.35Å; V170-T224 PolarHBondContact N-O 3.2Å; V170-T225 CarbonylContact O-C 3.53Å; V170-T225 WeakPolarHBondContact O-CA 3.13Å; V170-T225 PolarHBondContact O-OG1 2.94Å; V170-Y226 PolarHBondContact O-N 3.05Å
171V98.9Very high95.9Very high0 Ų034.4 Ų34.40%019%0.192CC..EExtended strand (participates in β ladder)trans-107.5117.8179-178.20000109.9L122 I123 N124 Y226 V228 C268 A269L122-V171 PolarHBondContact O-N 2.95Å; I123-V171 CarbonylContact C-O 3.43Å; I123-V171 WeakPolarHBondContact CA-O 3.41Å; I123-V171 HydrophobicContact CG1-CB 4.34Å; I123-V171 HydrophobicContact CG2-CB 4.34Å; I123-V171 HydrophobicContact CG2-CG1 4.49Å; N124-V171 PolarHBondContact N-O 3.11Å; V171-Y226 WeakPolarHBondContact CA-O 3.4Å; V171-V228 HydrophobicContact CG1-CB 4.48Å; V171-V228 HydrophobicContact CG1-CG1 3.76Å; V171-V228 HydrophobicContact CG1-CG2 3.83Å; V171-C268 HydrophobicContact CG1-CB 4.35Å; V171-C268 HydrophobicContact CG2-CB 3.99Å; V171-A269 HydrophobicContact CG2-CB 4.29Å
172N98.9Very high95.7Very high2 Ų237.3 Ų37.31%0.01121%0.206CC..EExtended strand (participates in β ladder)trans-104.8116-179.2-64.4-46.5000111N124 S174 T211 Y226 A227 V228N124-N172 WeakPolarHBondContact CB-OD1 3.43Å; N124-N172 PolarHBondContact ND2-OD1 3.01Å; N172-S174 PolarHBondContact O-N 2.98Å; N172-T211 WeakPolarHBondContact CB-OG1 3.13Å; N172-T211 PolarHBondContact ND2-OG1 3.49Å; N172-Y226 PolarHBondContact N-O 3.38Å; N172-A227 CarbonylContact O-C 3.56Å; N172-A227 WeakPolarHBondContact O-CA 3.34Å; N172-V228 PolarHBondContact O-N 2.99Å
173V98.3Very high95.7Very high8 Ų838.3 Ų38.35%0.04821%0.211CC..EExtended strand (participates in β ladder)trans-77.6111.2178.7-179.10000110.5N124 N125 K204 N207 V228 P230N124-V173 PolarHBondContact O-N 2.89Å; N125-V173 HydrophobicContact CB-CG2 3.92Å; V173-K204 PolarHBondContact O-NZ 3.47Å; V173-N207 PolarHBondContact O-ND2 2.79Å; V173-V228 HydrophobicContact CB-CG2 4.25Å; V173-V228 HydrophobicContact CG2-CG2 3.75Å; V173-P230 HydrophobicContact CG1-CG 4.22Å
174S96.4Very high95.5Very high1 Ų137.6 Ų37.61%0.00721%0.207CC..  trans-105.5-155.4173-175.80000110.2N172 K204 I208 V228N172-S174 PolarHBondContact O-N 2.98Å; S174-K204 PolarHBondContact OG-O 3.41Å; S174-I208 WeakPolarHBondContact OG-CD1 3.31Å; S174-I208 WeakPolarHBondContact OG-CG1 3.26Å; S174-V228 CarbonylContact C-O 3.54Å; S174-V228 WeakPolarHBondContact CA-O 3.02Å; S174-V228 PolarHBondContact N-O 3.01Å
175S90.6Very high95.4Very high13 Ų1334.5 Ų34.59%0.09118%0.184CC..  trans-161.5157.5179.2177.70000111.6V177 H178 H229 Y281S175-V177 PolarHBondContact O-N 2.97Å; S175-V177 VanDerWaalsContact O-N 3.17Å; S175-V177 PolarHBondContact OG-N 3.3Å; S175-H178 WeakPolarHBondContact O-CB 3.26Å; S175-H178 PolarHBondContact O-N 2.78Å; S175-H178 VanDerWaalsContact O-N 3.13Å; S175-H178 PolarHBondContact O-ND1 2.79Å; S175-H229 WeakPolarHBondContact CA-ND1 3.48Å; S175-Y281 PolarHBondContact O-OH 2.85Å
176V88.6Confident95.3Very high69 Ų6940.8 Ų40.842%0.41821%0.213SC..G310 helixtrans-56.5-26.3172.268.60000112.6H178 H179 H229 Y281V176-H178 PolarHBondContact O-N 2.82Å; V176-H179 PolarHBondContact O-CD2 3.26Å; V176-H179 VanDerWaalsContact O-CD2 3.26Å; V176-H179 PolarHBondContact O-N 3.31Å; V176-H179 VanDerWaalsContact O-N 3.13Å; V176-H229 PolarHBondContact N-ND1 3Å; V176-Y281 PolarHBondContact N-OH 3.15Å
177V88.3Confident95.2Very high40 Ų4039.2 Ų39.224%0.24220%0.199CC..G310 helixtrans-64.4-10.9178.7-54.60000113.5S175 H179 I180 G181 Y200 C201 K204S175-V177 PolarHBondContact O-N 2.97Å; S175-V177 VanDerWaalsContact O-N 3.17Å; S175-V177 PolarHBondContact OG-N 3.3Å; V177-H179 PolarHBondContact O-N 3.03Å; V177-H179 VanDerWaalsContact O-N 3.12Å; V177-I180 PolarHBondContact O-N 3.12Å; V177-G181 PolarHBondContact O-N 2.81Å; V177-Y200 HydrophobicContact CG2-CD1 3.86Å; V177-Y200 HydrophobicContact CG2-CE1 3.72Å; V177-C201 HydrophobicContact CG2-CB 4.42Å; V177-K204 HydrophobicContact CG2-CB 4.36Å; V177-K204 HydrophobicContact CG2-CG 4.41Å
178H91.8Very high95.1Very high0 Ų036 Ų360%018%0.176CC..G310 helixtrans-56.8-23.8171.282.7-88.7000113.1S175 V176 I180 G181 L205 I208 Y281 S291S175-H178 WeakPolarHBondContact O-CB 3.26Å; S175-H178 PolarHBondContact O-N 2.78Å; S175-H178 VanDerWaalsContact O-N 3.13Å; S175-H178 PolarHBondContact O-ND1 2.79Å; V176-H178 PolarHBondContact O-N 2.82Å; H178-I180 PolarHBondContact O-N 3.13Å; H178-G181 PolarHBondContact O-N 2.98Å; H178-G181 VanDerWaalsContact O-N 3.09Å; H178-L205 HydrophobicContact CB-CB 4.27Å; H178-I208 HydrophobicContact CB-CD1 3.71Å; H178-I208 WeakPolarHBondContact CD2-CD1 3.49Å; H178-Y281 AromaticContact CE1-CZ 3.79Å; H178-Y281 AromaticContact ND1-CZ 3.95Å; H178-Y281 PolarHBondContact ND1-OH 3.2Å; H178-S291 PolarHBondContact NE2-N 3.06Å
179H92.3Very high94.9Very high85 Ų8537.4 Ų37.439%0.39418%0.182SC..G310 helixtrans-61-30.4175.6-79.4-87000112.8V176 V177V176-H179 PolarHBondContact O-CD2 3.26Å; V176-H179 VanDerWaalsContact O-CD2 3.26Å; V176-H179 PolarHBondContact O-N 3.31Å; V176-H179 VanDerWaalsContact O-N 3.13Å; V177-H179 PolarHBondContact O-N 3.03Å; V177-H179 VanDerWaalsContact O-N 3.12Å
180I92.6Very high94.7Very high103 Ų10336.4 Ų36.453%0.52818%0.179SC..THydrogen-bonded Turntrans-90.1-17178.1-54173.4000110.8V177 H178 F198V177-I180 PolarHBondContact O-N 3.12Å; H178-I180 PolarHBondContact O-N 3.13Å; I180-F198 HydrophobicContact CG2-CD1 3.93Å; I180-F198 HydrophobicContact CG2-CE1 3.56Å
181G93.4Very high94.4Very high0 Ų042 Ų420%021%0.205CC..  trans-62.5148.7-179.900000113.9V177 H178 L205V177-G181 PolarHBondContact O-N 2.81Å; H178-G181 PolarHBondContact O-N 2.98Å; H178-G181 VanDerWaalsContact O-N 3.09Å; G181-L205 VanDerWaalsContact C-CD2 3.48Å; G181-L205 WeakPolarHBondContact O-CD2 3.44Å
182K95.8Very high94Very high115 Ų11550.1 Ų50.150%0.524%0.24SC..  trans-145.9126.6172-175.6176.6179.4-179.80109.2R184 H202K182-R184 HydrophobicContact CG-CG 4.34Å; K182-R184 PolarHBondContact O-N 3.27Å; K182-H202 PolarHBondContact N-CE1 2.79Å; K182-H202 PolarHBondContact N-ND1 3.22Å; K182-H202 PolarHBondContact O-CD2 3.28Å; K182-H202 VanDerWaalsContact O-CD2 3.3Å; K182-H202 PolarHBondContact O-CE1 3.17Å; K182-H202 PolarHBondContact O-ND1 3.13Å; K182-H202 PolarHBondContact O-NE2 3.43Å
183I97.4Very high93.5Very high21 Ų2159.3 Ų59.311%0.10828%0.275CS..  trans-76.9114.7171.8-53-54.6000108.2F185 L188 L205 A206 L209 T299 L303I183-F185 HydrophobicContact CB-CE2 4.41Å; I183-F185 HydrophobicContact CB-CZ 4.4Å; I183-F185 HydrophobicContact CG2-CD1 4.03Å; I183-F185 HydrophobicContact CG2-CD2 4.2Å; I183-F185 HydrophobicContact CG2-CE1 3.63Å; I183-F185 HydrophobicContact CG2-CE2 3.81Å; I183-F185 HydrophobicContact CG2-CG 4.3Å; I183-F185 HydrophobicContact CG2-CZ 3.51Å; I183-L188 HydrophobicContact CG2-CD1 3.92Å; I183-L205 HydrophobicContact CD1-CD2 4.16Å; I183-L205 HydrophobicContact CD1-CG 4.23Å; I183-L205 HydrophobicContact CG1-CD2 4.02Å; I183-L205 HydrophobicContact CG1-CG 4.36Å; I183-A206 HydrophobicContact CD1-CB 4.14Å; I183-L209 HydrophobicContact CD1-CD1 4.2Å; I183-L209 HydrophobicContact CG1-CD1 3.59Å; I183-T299 HydrophobicContact CB-CG2 4.06Å; I183-T299 HydrophobicContact CG1-CG2 4.05Å; I183-L303 HydrophobicContact CD1-CD2 4.19Å; I183-L303 HydrophobicContact CG1-CD2 4.37Å; I183-L303 HydrophobicContact CG2-CD1 4.2Å
184R94.8Very high93.3Very high46 Ų4661.6 Ų61.617%0.17428%0.283CS..  trans-105.885.9-179.5-64.7-174.5-68174.84.2109.1K182 H186 D187 L188 S190 R193 H202K182-R184 HydrophobicContact CG-CG 4.34Å; K182-R184 PolarHBondContact O-N 3.27Å; R184-H186 PolarHBondContact O-N 3.31Å; R184-H186 VanDerWaalsContact O-N 3.15Å; R184-D187 CarbonylContact O-C 3.57Å; R184-D187 PolarHBondContact O-N 2.86Å; R184-L188 WeakPolarHBondContact O-CA 3.5Å; R184-L188 PolarHBondContact O-N 3.29Å; R184-S190 PolarHBondContact NH2-OG 3.33Å; R184-S190 VanDerWaalsContact NH2-OG 3.11Å; R184-R193 PolarHBondContact NH2-O 3.2Å; R184-H202 PolarHBondContact NE-NE2 3.18Å
185F96.4Very high93.2Very high47 Ų4763.9 Ų63.921%0.20630%0.299CS..G310 helixtrans-60.3-27.2-175.7-65.8-73.6000114.5I183 D187 T299 R302 L303 V306I183-F185 HydrophobicContact CB-CE2 4.41Å; I183-F185 HydrophobicContact CB-CZ 4.4Å; I183-F185 HydrophobicContact CG2-CD1 4.03Å; I183-F185 HydrophobicContact CG2-CD2 4.2Å; I183-F185 HydrophobicContact CG2-CE1 3.63Å; I183-F185 HydrophobicContact CG2-CE2 3.81Å; I183-F185 HydrophobicContact CG2-CG 4.3Å; I183-F185 HydrophobicContact CG2-CZ 3.51Å; F185-D187 VanDerWaalsContact C-N 3.26Å; F185-D187 PolarHBondContact O-N 3.45Å; F185-T299 HydrophobicContact CE2-CG2 4.02Å; F185-T299 HydrophobicContact CZ-CG2 4.03Å; F185-R302 HydrophobicContact CD1-CG 4.05Å; F185-R302 HydrophobicContact CE1-CB 4.12Å; F185-R302 HydrophobicContact CE1-CG 3.63Å; F185-R302 HydrophobicContact CE2-CB 4.35Å; F185-R302 HydrophobicContact CE2-CG 4.14Å; F185-R302 HydrophobicContact CG-CG 4.47Å; F185-R302 HydrophobicContact CZ-CB 3.77Å; F185-R302 HydrophobicContact CZ-CG 3.68Å; F185-L303 HydrophobicContact CE1-CB 4.17Å; F185-L303 HydrophobicContact CE1-CD1 4.47Å; F185-L303 HydrophobicContact CZ-CB 4.21Å; F185-V306 HydrophobicContact CD1-CG2 4.36Å
186H94.9Very high93.3Very high136 Ų13668.9 Ų68.963%0.6332%0.316SS*.G310 helixtrans-77-9.5176.562.2-95.9000114.2R184R184-H186 PolarHBondContact O-N 3.31Å; R184-H186 VanDerWaalsContact O-N 3.15Å
187D95.6Very high93.3Very high12 Ų1266.7 Ų66.76%0.06431%0.307CS..G310 helixtrans-154.750-177.8-173.333.5000109R184 F185 Q189 S190 E191 K192 R193R184-D187 CarbonylContact O-C 3.57Å; R184-D187 PolarHBondContact O-N 2.86Å; F185-D187 VanDerWaalsContact C-N 3.26Å; F185-D187 PolarHBondContact O-N 3.45Å; D187-Q189 VanDerWaalsContact C-N 3.25Å; D187-Q189 PolarHBondContact O-N 3.46Å; D187-S190 PolarHBondContact O-N 3.31Å; D187-S190 WeakPolarHBondContact OD1-CA 3.36Å; D187-S190 PolarHBondContact OD1-N 3.47Å; D187-E191 PolarHBondContact OD1-N 2.83Å; D187-K192 PolarHBondContact OD1-N 3.21Å; D187-K192 VanDerWaalsContact OD1-N 3.07Å; D187-R193 PolarHBondContact OD2-N 3.34Å
188L95.5Very high93.5Very high31 Ų3170 Ų7016%0.16232%0.318CS..THydrogen-bonded Turntrans-65.7-35.3-170.9-172.163.1000111L144 I183 R184 S190 V306 L310L144-L188 HydrophobicContact CD2-CD2 4.22Å; L144-L188 HydrophobicContact CD2-CG 3.78Å; I183-L188 HydrophobicContact CG2-CD1 3.92Å; R184-L188 WeakPolarHBondContact O-CA 3.5Å; R184-L188 PolarHBondContact O-N 3.29Å; L188-S190 PolarHBondContact O-N 3.34Å; L188-V306 HydrophobicContact CD2-CG1 3.61Å; L188-L310 HydrophobicContact CD2-CD1 4.17Å
189Q95.6Very high93.7Very high30 Ų3070.1 Ų70.114%0.1432%0.32CS..THydrogen-bonded Turntrans-78.5-2.3174.1-55.5-66.114.600113.4E141 D187 E191E141-Q189 VanDerWaalsContact CB-O 3.32Å; E141-Q189 WeakPolarHBondContact CB-O 3.23Å; E141-Q189 WeakPolarHBondContact CG-O 3.25Å; D187-Q189 VanDerWaalsContact C-N 3.25Å; D187-Q189 PolarHBondContact O-N 3.46Å; Q189-E191 HydrophobicContact CB-CG 3.97Å; Q189-E191 PolarHBondContact O-N 3.43Å
190S93.3Very high93.8Very high5 Ų567 Ų674%0.03531%0.305CS..  trans54.136.3-178.3-57.50000114R184 D187 L188R184-S190 PolarHBondContact NH2-OG 3.33Å; R184-S190 VanDerWaalsContact NH2-OG 3.11Å; D187-S190 PolarHBondContact O-N 3.31Å; D187-S190 WeakPolarHBondContact OD1-CA 3.36Å; D187-S190 PolarHBondContact OD1-N 3.47Å; L188-S190 PolarHBondContact O-N 3.34Å
191E92.1Very high93.9Very high118 Ų11862.7 Ų62.755%0.55128%0.283SS*.SBendtrans-71.3-31.5179.1-77.6179.9166.600111.8Y133 K135 D187 Q189Y133-E191 VanDerWaalsContact OH-CG 3.3Å; Y133-E191 WeakPolarHBondContact OH-CG 3.46Å; K135-E191 WeakPolarHBondContact CE-OE1 3.28Å; K135-E191 IonicContact NZ-OE1 2.72Å; K135-E191 PolarHBondContact NZ-OE1 3.31Å; D187-E191 PolarHBondContact OD1-N 2.83Å; Q189-E191 HydrophobicContact CB-CG 3.97Å; Q189-E191 PolarHBondContact O-N 3.43Å
192K91.3Very high94.1Very high170 Ų17063.9 Ų63.974%0.73929%0.289SS*.SBendtrans-81.3-42.5180-60.3-177-179.1-178.70112.2D187D187-K192 PolarHBondContact OD1-N 3.21Å; D187-K192 VanDerWaalsContact OD1-N 3.07Å
193R89.3Confident94.2Very high196 Ų19658.5 Ų58.574%0.7427%0.266SS*.SBendtrans-146.3108.9-179.9-172.5176.8177.8-176.50.8111.6R184 D187R184-R193 PolarHBondContact NH2-O 3.2Å; D187-R193 PolarHBondContact OD2-N 3.34Å
194Y94.2Very high94.2Very high56 Ų5657.8 Ų57.822%0.2226%0.262CS..  trans-98.8134.6178.7-166.9-110.2000113.3C131 Y133 E141 H143 R196 A199C131-Y194 PolarHBondContact O-OH 3.39Å; Y133-Y194 VanDerWaalsContact CA-CE1 3.48Å; Y133-Y194 HydrophobicContact CD2-CD1 4.28Å; Y133-Y194 AromaticContact CD2-CD2 3.52Å; Y133-Y194 HydrophobicContact CD2-CD2 3.52Å; Y133-Y194 HydrophobicContact CD2-CE1 4.5Å; Y133-Y194 AromaticContact CD2-CE2 3.8Å; Y133-Y194 HydrophobicContact CD2-CE2 3.8Å; Y133-Y194 AromaticContact CD2-CG 3.75Å; Y133-Y194 HydrophobicContact CD2-CG 3.75Å; Y133-Y194 HydrophobicContact CE2-CD2 4.33Å; Y133-Y194 HydrophobicContact CG-CD1 4.38Å; Y133-Y194 HydrophobicContact CG-CD2 4.37Å; Y133-Y194 HydrophobicContact CG-CG 4.19Å; E141-Y194 HydrophobicContact CG-CD2 4.47Å; E141-Y194 HydrophobicContact CG-CE2 3.79Å; E141-Y194 VanDerWaalsContact OE1-CE2 3.28Å; E141-Y194 WeakPolarHBondContact OE1-CE2 3.22Å; E141-Y194 PolarHBondContact OE1-OH 2.64Å; H143-Y194 PolarHBondContact CE1-OH 3.33Å; H143-Y194 PolarHBondContact ND1-OH 2.64Å; H143-Y194 VanDerWaalsContact ND1-OH 3.08Å; Y194-R196 HydrophobicContact CD1-CG 4.42Å; Y194-R196 HydrophobicContact CE1-CB 4.34Å; Y194-R196 HydrophobicContact CE1-CG 3.83Å; Y194-A199 HydrophobicContact CD2-CB 4.31Å; Y194-A199 HydrophobicContact CE2-CB 3.54Å
195S94.3Very high94.4Very high48 Ų4855.6 Ų55.634%0.33625%0.254SS..  trans-139.6124.2163.7163.10000108G197 F198 A199S195-G197 PolarHBondContact O-N 2.93Å; S195-F198 PolarHBondContact O-N 3.43Å; S195-F198 VanDerWaalsContact O-N 3.15Å; S195-F198 WeakPolarHBondContact OG-CD2 3.12Å; S195-A199 WeakPolarHBondContact O-CB 3.18Å; S195-A199 PolarHBondContact O-N 2.9Å
196R91.3Very high94.5Very high118 Ų11853.4 Ų53.445%0.44524%0.244SC..Hα-helixtrans-55.1-42.7-174.7-43.7-171.4179169.4-0.8111.8M130 C131 Y194 Y200M130-R196 HydrophobicContact CE-CB 4.46Å; M130-R196 WeakPolarHBondContact O-CD 3.5Å; M130-R196 HydrophobicContact SD-CB 4.12Å; C131-R196 WeakPolarHBondContact O-CB 3.38Å; C131-R196 VanDerWaalsContact O-CD 3.28Å; C131-R196 WeakPolarHBondContact O-CD 3.25Å; C131-R196 WeakPolarHBondContact O-CG 3.28Å; Y194-R196 HydrophobicContact CD1-CG 4.42Å; Y194-R196 HydrophobicContact CE1-CB 4.34Å; Y194-R196 HydrophobicContact CE1-CG 3.83Å; R196-Y200 PolarHBondContact O-N 3.5Å
197G88.9Confident94.6Very high23 Ų2347 Ų4724%0.23722%0.215CC..Hα-helixtrans-68.6-46.7178.500000112.6M130 S195 Y200 C201M130-G197 WeakPolarHBondContact SD-CA 3.45Å; M130-G197 PolarHBondContact SD-N 3.45Å; S195-G197 PolarHBondContact O-N 2.93Å; G197-Y200 PolarHBondContact O-N 3.41Å; G197-C201 PolarHBondContact O-N 3.33Å; G197-C201 PolarHBondContact O-SG 3.45Å
198F93.6Very high94.8Very high109 Ų10946.6 Ų46.648%0.47821%0.212SC..Hα-helixtrans-67.4-40.5179.6-71.9-56.8000112.3I180 S195 Y200 C201 H202I180-F198 HydrophobicContact CG2-CD1 3.93Å; I180-F198 HydrophobicContact CG2-CE1 3.56Å; S195-F198 PolarHBondContact O-N 3.43Å; S195-F198 VanDerWaalsContact O-N 3.15Å; S195-F198 WeakPolarHBondContact OG-CD2 3.12Å; F198-Y200 VanDerWaalsContact C-N 3.31Å; F198-Y200 PolarHBondContact O-N 3.16Å; F198-C201 CarbonylContact O-C 3.53Å; F198-C201 WeakPolarHBondContact O-CB 3.41Å; F198-C201 PolarHBondContact O-N 3.31Å; F198-C201 VanDerWaalsContact O-N 3.09Å; F198-H202 PolarHBondContact O-CE1 2.66Å; F198-H202 PolarHBondContact O-N 2.89Å; F198-H202 PolarHBondContact O-ND1 3.3Å
199A95.3Very high94.9Very high3 Ų345.2 Ų45.23%0.02521%0.205CC..Hα-helixtrans-56.8-45.7175.100000111.3H143 Y194 S195 C201 H202 S203H143-A199 HydrophobicContact CB-CB 4.47Å; Y194-A199 HydrophobicContact CD2-CB 4.31Å; Y194-A199 HydrophobicContact CE2-CB 3.54Å; S195-A199 WeakPolarHBondContact O-CB 3.18Å; S195-A199 PolarHBondContact O-N 2.9Å; A199-C201 PolarHBondContact O-N 3.37Å; A199-H202 PolarHBondContact O-N 3.28Å; A199-S203 PolarHBondContact O-N 3.04Å
200Y94.2Very high95.1Very high21 Ų2144 Ų448%0.08220%0.199CC..Hα-helixtrans-59.2-47.7172.4-179.9-115.7000112.5V128 M129 V177 R196 G197 F198 H202 S203 K204V128-Y200 VanDerWaalsContact O-CD2 3.27Å; V128-Y200 WeakPolarHBondContact O-CD2 3.13Å; V128-Y200 WeakPolarHBondContact O-CE2 3.46Å; M129-Y200 HydrophobicContact CB-CD1 4.48Å; M129-Y200 HydrophobicContact CB-CD2 3.83Å; M129-Y200 HydrophobicContact CB-CE1 4.43Å; M129-Y200 HydrophobicContact CB-CE2 3.78Å; M129-Y200 HydrophobicContact CB-CG 4.18Å; M129-Y200 HydrophobicContact CG-CD1 3.7Å; M129-Y200 HydrophobicContact CG-CD2 3.93Å; M129-Y200 HydrophobicContact CG-CE1 3.8Å; M129-Y200 HydrophobicContact CG-CE2 4.02Å; M129-Y200 HydrophobicContact CG-CG 3.76Å; M129-Y200 HydrophobicContact SD-CD1 3.86Å; M129-Y200 HydrophobicContact SD-CE1 3.44Å; M129-Y200 WeakPolarHBondContact SD-CE1 3.45Å; M129-Y200 HydrophobicContact SD-CE2 4.4Å; M129-Y200 HydrophobicContact SD-CG 4.49Å; V177-Y200 HydrophobicContact CG2-CD1 3.86Å; V177-Y200 HydrophobicContact CG2-CE1 3.72Å; R196-Y200 PolarHBondContact O-N 3.5Å; G197-Y200 PolarHBondContact O-N 3.41Å; F198-Y200 VanDerWaalsContact C-N 3.31Å; F198-Y200 PolarHBondContact O-N 3.16Å; Y200-H202 VanDerWaalsContact C-N 3.28Å; Y200-H202 PolarHBondContact O-N 3.1Å; Y200-S203 PolarHBondContact O-N 2.81Å; Y200-S203 PolarHBondContact O-OG 2.89Å; Y200-K204 HydrophobicContact CD2-CG 4.26Å; Y200-K204 HydrophobicContact CE1-CG 4.19Å; Y200-K204 HydrophobicContact CE2-CD 4.13Å; Y200-K204 HydrophobicContact CE2-CG 3.82Å; Y200-K204 PolarHBondContact O-N 3.46Å; Y200-K204 WeakPolarHBondContact OH-CE 3.38Å
201C94.9Very high95.4Very high11 Ų1143.8 Ų43.87%0.07420%0.197CC..Hα-helixtrans-58.2-40177.1-62.30000112.3V177 G197 F198 A199 K204 L205V177-C201 HydrophobicContact CG2-CB 4.42Å; G197-C201 PolarHBondContact O-N 3.33Å; G197-C201 PolarHBondContact O-SG 3.45Å; F198-C201 CarbonylContact O-C 3.53Å; F198-C201 WeakPolarHBondContact O-CB 3.41Å; F198-C201 PolarHBondContact O-N 3.31Å; F198-C201 VanDerWaalsContact O-N 3.09Å; A199-C201 PolarHBondContact O-N 3.37Å; C201-K204 PolarHBondContact O-N 3.03Å; C201-L205 PolarHBondContact O-N 2.89Å
202H97.1Very high95.7Very high25 Ų2540.5 Ų40.512%0.11618%0.18CC..Hα-helixtrans-64.7-44.9177.6-62.30.7000110.8K182 R184 F198 A199 Y200 K204 L205 A206K182-H202 PolarHBondContact N-CE1 2.79Å; K182-H202 PolarHBondContact N-ND1 3.22Å; K182-H202 PolarHBondContact O-CD2 3.28Å; K182-H202 VanDerWaalsContact O-CD2 3.3Å; K182-H202 PolarHBondContact O-CE1 3.17Å; K182-H202 PolarHBondContact O-ND1 3.13Å; K182-H202 PolarHBondContact O-NE2 3.43Å; R184-H202 PolarHBondContact NE-NE2 3.18Å; F198-H202 PolarHBondContact O-CE1 2.66Å; F198-H202 PolarHBondContact O-N 2.89Å; F198-H202 PolarHBondContact O-ND1 3.3Å; A199-H202 PolarHBondContact O-N 3.28Å; Y200-H202 VanDerWaalsContact C-N 3.28Å; Y200-H202 PolarHBondContact O-N 3.1Å; H202-K204 VanDerWaalsContact C-N 3.32Å; H202-K204 PolarHBondContact O-N 3.24Å; H202-L205 WeakPolarHBondContact O-CB 3.47Å; H202-L205 PolarHBondContact O-N 2.9Å; H202-A206 PolarHBondContact O-N 3.41Å
203S97.8Very high96Very high2 Ų233 Ų331%0.01415%0.148CC..Hα-helixtrans-62.1-37.4176.778.30000112.8H143 N147 A199 Y200 A206 N207H143-S203 WeakPolarHBondContact O-CB 3.44Å; N147-S203 PolarHBondContact ND2-OG 2.96Å; A199-S203 PolarHBondContact O-N 3.04Å; Y200-S203 PolarHBondContact O-N 2.81Å; Y200-S203 PolarHBondContact O-OG 2.89Å; S203-A206 WeakPolarHBondContact O-CB 3.29Å; S203-A206 PolarHBondContact O-N 3.35Å; S203-N207 PolarHBondContact O-N 2.74Å; S203-N207 VanDerWaalsContact O-N 3.14Å; S203-N207 PolarHBondContact O-OD1 2.82Å
204K97.6Very high96.5Very high6 Ų623.7 Ų23.73%0.02611%0.113CC..Hα-helixtrans-75-29.6178.3-64.1-64175.5-172.10112.8V173 S174 V177 Y200 C201 H202V173-K204 PolarHBondContact O-NZ 3.47Å; S174-K204 PolarHBondContact OG-O 3.41Å; V177-K204 HydrophobicContact CG2-CB 4.36Å; V177-K204 HydrophobicContact CG2-CG 4.41Å; Y200-K204 HydrophobicContact CD2-CG 4.26Å; Y200-K204 HydrophobicContact CE1-CG 4.19Å; Y200-K204 HydrophobicContact CE2-CD 4.13Å; Y200-K204 HydrophobicContact CE2-CG 3.82Å; Y200-K204 PolarHBondContact O-N 3.46Å; Y200-K204 WeakPolarHBondContact OH-CE 3.38Å; C201-K204 PolarHBondContact O-N 3.03Å; H202-K204 VanDerWaalsContact C-N 3.32Å; H202-K204 PolarHBondContact O-N 3.24Å
205L98.4Very high96.7Very high1 Ų121.6 Ų21.61%0.00511%0.107CC..Hα-helixtrans-65-42.6166.3174.762.3000111.6H178 G181 I183 C201 H202 N207 I208 L209 R293 A294H178-L205 HydrophobicContact CB-CB 4.27Å; G181-L205 VanDerWaalsContact C-CD2 3.48Å; G181-L205 WeakPolarHBondContact O-CD2 3.44Å; I183-L205 HydrophobicContact CD1-CD2 4.16Å; I183-L205 HydrophobicContact CD1-CG 4.23Å; I183-L205 HydrophobicContact CG1-CD2 4.02Å; I183-L205 HydrophobicContact CG1-CG 4.36Å; C201-L205 PolarHBondContact O-N 2.89Å; H202-L205 WeakPolarHBondContact O-CB 3.47Å; H202-L205 PolarHBondContact O-N 2.9Å; L205-N207 VanDerWaalsContact C-N 3.3Å; L205-N207 PolarHBondContact O-N 2.75Å; L205-I208 PolarHBondContact O-N 3.38Å; L205-I208 VanDerWaalsContact O-N 3.1Å; L205-L209 HydrophobicContact CD1-CD1 4.34Å; L205-L209 HydrophobicContact CD1-CG 4.35Å; L205-L209 HydrophobicContact CG-CD1 4.05Å; L205-L209 PolarHBondContact O-N 3.39Å; L205-L209 VanDerWaalsContact O-N 3.11Å; L205-R293 HydrophobicContact CD2-CB 4.31Å; L205-A294 HydrophobicContact CD1-CB 3.57Å
206A98.7Very high96.8Very high0 Ų022.9 Ų22.90%011%0.106CC..Hα-helixtrans-56.4-43177.500000111.7H148 I183 H202 S203 I208 L209 F210 L303H148-A206 HydrophobicContact CB-CB 4.01Å; I183-A206 HydrophobicContact CD1-CB 4.14Å; H202-A206 PolarHBondContact O-N 3.41Å; S203-A206 WeakPolarHBondContact O-CB 3.29Å; S203-A206 PolarHBondContact O-N 3.35Å; A206-I208 VanDerWaalsContact C-N 3.3Å; A206-I208 PolarHBondContact O-N 2.72Å; A206-L209 PolarHBondContact O-N 2.84Å; A206-F210 WeakPolarHBondContact O-CB 3.5Å; A206-F210 PolarHBondContact O-N 2.93Å; A206-L303 HydrophobicContact CB-CD2 3.78Å
207N98.8Very high97.1Very high3 Ų321.3 Ų21.32%0.01610%0.1CC..Hα-helixtrans-59.5-34.8176.5-69.66.9000113.6N147 V173 S203 L205 T211N147-N207 PolarHBondContact O-ND2 2.89Å; N147-N207 PolarHBondContact O-OD1 2.96Å; N147-N207 VanDerWaalsContact O-OD1 3.04Å; V173-N207 PolarHBondContact O-ND2 2.79Å; S203-N207 PolarHBondContact O-N 2.74Å; S203-N207 VanDerWaalsContact O-N 3.14Å; S203-N207 PolarHBondContact O-OD1 2.82Å; L205-N207 VanDerWaalsContact C-N 3.3Å; L205-N207 PolarHBondContact O-N 2.75Å; N207-T211 WeakPolarHBondContact O-CB 3.28Å; N207-T211 PolarHBondContact O-N 3.41Å; N207-T211 PolarHBondContact O-OG1 3.4Å
208I98.7Very high97.5Very high3 Ų320.5 Ų20.52%0.0159%0.09CC..Hα-helixtrans-73.5-43.2177.2-60.8174000110.6S174 H178 L205 A206 F210 T211 R212 A227 Y281 V290 A294S174-I208 WeakPolarHBondContact OG-CD1 3.31Å; S174-I208 WeakPolarHBondContact OG-CG1 3.26Å; H178-I208 HydrophobicContact CB-CD1 3.71Å; H178-I208 WeakPolarHBondContact CD2-CD1 3.49Å; L205-I208 PolarHBondContact O-N 3.38Å; L205-I208 VanDerWaalsContact O-N 3.1Å; A206-I208 VanDerWaalsContact C-N 3.3Å; A206-I208 PolarHBondContact O-N 2.72Å; I208-F210 VanDerWaalsContact C-N 3.32Å; I208-T211 PolarHBondContact O-N 2.97Å; I208-R212 WeakPolarHBondContact O-CG 3.21Å; I208-R212 PolarHBondContact O-N 3.24Å; I208-A227 HydrophobicContact CG1-CB 4.13Å; I208-Y281 HydrophobicContact CD1-CD2 3.74Å; I208-Y281 HydrophobicContact CD1-CE2 3.69Å; I208-Y281 HydrophobicContact CG1-CD2 3.97Å; I208-Y281 HydrophobicContact CG1-CE2 4.19Å; I208-V290 HydrophobicContact CD1-CG1 4.2Å; I208-V290 HydrophobicContact CG2-CG1 4.19Å; I208-A294 HydrophobicContact CB-CB 4.48Å; I208-A294 HydrophobicContact CG2-CB 3.93Å
209L98.8Very high97.7Very high1 Ų122.6 Ų22.61%0.00510%0.102CC..Hα-helixtrans-61.9-43.1176.3-68.2169.3000111I183 L205 A206 R212 E213 T299 A300 L303I183-L209 HydrophobicContact CD1-CD1 4.2Å; I183-L209 HydrophobicContact CG1-CD1 3.59Å; L205-L209 HydrophobicContact CD1-CD1 4.34Å; L205-L209 HydrophobicContact CD1-CG 4.35Å; L205-L209 HydrophobicContact CG-CD1 4.05Å; L205-L209 PolarHBondContact O-N 3.39Å; L205-L209 VanDerWaalsContact O-N 3.11Å; A206-L209 PolarHBondContact O-N 2.84Å; L209-R212 PolarHBondContact O-N 3.45Å; L209-E213 WeakPolarHBondContact O-CB 3.28Å; L209-E213 PolarHBondContact O-N 3.13Å; L209-T299 HydrophobicContact CD1-CG2 3.83Å; L209-A300 HydrophobicContact CB-CB 4.17Å; L209-A300 HydrophobicContact CD2-CB 3.91Å; L209-L303 HydrophobicContact CB-CD2 4.04Å; L209-L303 HydrophobicContact CD1-CD2 3.91Å
210F98.8Very high97.7Very high5 Ų526.7 Ų26.72%0.02214%0.144CC..Hα-helixtrans-57.1-52.5173.4174.1-126.7000111.9F152 T155 A206 I208 R212 E213 L214 W304 W315F152-F210 AromaticContact CD2-CD2 3.34Å; F152-F210 HydrophobicContact CD2-CD2 3.34Å; F152-F210 AromaticContact CD2-CE2 3.32Å; F152-F210 HydrophobicContact CD2-CE2 3.32Å; F152-F210 HydrophobicContact CD2-CG 4.21Å; F152-F210 HydrophobicContact CD2-CZ 4.17Å; F152-F210 AromaticContact CE2-CD2 3.62Å; F152-F210 HydrophobicContact CE2-CD2 3.62Å; F152-F210 AromaticContact CE2-CE2 3.63Å; F152-F210 HydrophobicContact CE2-CE2 3.63Å; F152-F210 HydrophobicContact CG-CD2 4.46Å; F152-F210 HydrophobicContact CG-CE2 4.15Å; T155-F210 HydrophobicContact CG2-CZ 3.98Å; A206-F210 WeakPolarHBondContact O-CB 3.5Å; A206-F210 PolarHBondContact O-N 2.93Å; I208-F210 VanDerWaalsContact C-N 3.32Å; F210-R212 VanDerWaalsContact C-N 3.28Å; F210-R212 PolarHBondContact O-N 3.05Å; F210-E213 PolarHBondContact O-N 3.44Å; F210-L214 HydrophobicContact CE1-CD2 4.22Å; F210-L214 HydrophobicContact CE2-CB 4.27Å; F210-L214 HydrophobicContact CE2-CD2 4.36Å; F210-L214 HydrophobicContact CZ-CD2 3.88Å; F210-L214 WeakPolarHBondContact O-CB 3.42Å; F210-L214 PolarHBondContact O-N 3.35Å; F210-W304 AromaticContact CD2-CE3 3.95Å; F210-W304 HydrophobicContact CD2-CE3 3.95Å; F210-W304 HydrophobicContact CD2-CH2 4.28Å; F210-W304 AromaticContact CD2-CZ3 3.45Å; F210-W304 HydrophobicContact CD2-CZ3 3.45Å; F210-W304 VanDerWaalsContact CD2-CZ3 3.45Å; F210-W304 HydrophobicContact CE2-CE3 4.33Å; F210-W304 AromaticContact CE2-CH2 3.89Å; F210-W304 HydrophobicContact CE2-CH2 3.89Å; F210-W304 AromaticContact CE2-CZ3 3.53Å; F210-W304 HydrophobicContact CE2-CZ3 3.53Å; F210-W315 HydrophobicContact CE2-CH2 4.24Å; F210-W315 HydrophobicContact CE2-CZ3 4.42Å; F210-W315 HydrophobicContact CZ-CH2 4.44Å
211T98.8Very high97.9Very high0 Ų027.6 Ų27.60%015%0.152CC..Hα-helixtrans-55.5-45178.6-57.90000111.4N172 N207 I208 A215 T225 A227N172-T211 WeakPolarHBondContact CB-OG1 3.13Å; N172-T211 PolarHBondContact ND2-OG1 3.49Å; N207-T211 WeakPolarHBondContact O-CB 3.28Å; N207-T211 PolarHBondContact O-N 3.41Å; N207-T211 PolarHBondContact O-OG1 3.4Å; I208-T211 PolarHBondContact O-N 2.97Å; T211-A215 WeakPolarHBondContact O-CB 3.42Å; T211-A215 PolarHBondContact O-N 2.97Å; T211-T225 HydrophobicContact CG2-CG2 4.04Å; T211-T225 WeakPolarHBondContact O-CG2 3.41Å; T211-A227 HydrophobicContact CG2-CB 3.92Å; T211-A227 VanDerWaalsContact CG2-N 3.33Å
212R98.5Very high98Very high49 Ų4929.1 Ų29.119%0.18517%0.169CC..Hα-helixtrans-64.6-42.5-179.5-74.3174.457.967.42.9112.5I208 L209 F210 K216 G279 A294 N297I208-R212 WeakPolarHBondContact O-CG 3.21Å; I208-R212 PolarHBondContact O-N 3.24Å; L209-R212 PolarHBondContact O-N 3.45Å; F210-R212 VanDerWaalsContact C-N 3.28Å; F210-R212 PolarHBondContact O-N 3.05Å; R212-K216 PolarHBondContact O-N 2.91Å; R212-G279 VanDerWaalsContact CG-O 3.24Å; R212-G279 WeakPolarHBondContact CG-O 3.29Å; R212-A294 WeakPolarHBondContact CD-O 3.37Å; R212-A294 PolarHBondContact NE-O 3.27Å; R212-N297 PolarHBondContact NH2-OD1 2.95Å; R212-N297 VanDerWaalsContact NH2-OD1 3.15Å
213E98.6Very high98.1Very high14 Ų1428.1 Ų28.17%0.06517%0.165CC..Hα-helixtrans-74.4-40.3-178.5-168.756.5-153.700111.6L209 F210 A215 K216 R217 A300 W304L209-E213 WeakPolarHBondContact O-CB 3.28Å; L209-E213 PolarHBondContact O-N 3.13Å; F210-E213 PolarHBondContact O-N 3.44Å; E213-A215 VanDerWaalsContact C-N 3.28Å; E213-A215 PolarHBondContact O-N 2.57Å; E213-K216 WeakPolarHBondContact O-CB 3.31Å; E213-K216 PolarHBondContact O-N 3.35Å; E213-K216 VanDerWaalsContact O-N 3.12Å; E213-K216 IonicContact OE2-NZ 2.71Å; E213-K216 PolarHBondContact OE2-NZ 2.98Å; E213-R217 PolarHBondContact O-N 3.34Å; E213-R217 VanDerWaalsContact O-N 3.12Å; E213-R217 IonicContact OE1-NE 3.9Å; E213-R217 PolarHBondContact OE1-NE 2.9Å; E213-A300 HydrophobicContact CB-CB 4.29Å; E213-W304 HydrophobicContact CB-CD2 4.47Å; E213-W304 HydrophobicContact CB-CE3 3.6Å; E213-W304 HydrophobicContact CB-CZ3 3.93Å; E213-W304 HydrophobicContact CG-CB 4.14Å; E213-W304 HydrophobicContact CG-CD2 3.82Å; E213-W304 HydrophobicContact CG-CE3 3.43Å; E213-W304 VanDerWaalsContact CG-CE3 3.43Å; E213-W304 HydrophobicContact CG-CG 4.15Å; E213-W304 HydrophobicContact CG-CZ3 4.04Å
214L98.6Very high98.2Very high0 Ų028.7 Ų28.70%017%0.168CC..Hα-helixtrans-57.9-42.1172.9-178.366.1000111T155 L159 V170 F210 K216 R217 L218 T225 W304 W315T155-L214 HydrophobicContact CG2-CD1 4.46Å; T155-L214 HydrophobicContact CG2-CD2 3.93Å; L159-L214 HydrophobicContact CD1-CD1 4.39Å; V170-L214 HydrophobicContact CB-CD2 4.3Å; V170-L214 HydrophobicContact CG1-CD2 4.14Å; V170-L214 HydrophobicContact CG2-CD2 4.48Å; F210-L214 HydrophobicContact CE1-CD2 4.22Å; F210-L214 HydrophobicContact CE2-CB 4.27Å; F210-L214 HydrophobicContact CE2-CD2 4.36Å; F210-L214 HydrophobicContact CZ-CD2 3.88Å; F210-L214 WeakPolarHBondContact O-CB 3.42Å; F210-L214 PolarHBondContact O-N 3.35Å; L214-K216 VanDerWaalsContact C-N 3.3Å; L214-K216 PolarHBondContact O-N 3.42Å; L214-R217 PolarHBondContact O-N 3.44Å; L214-L218 HydrophobicContact CD1-CD1 3.65Å; L214-L218 HydrophobicContact CD1-CG 4Å; L214-L218 HydrophobicContact CD2-CD1 4.32Å; L214-L218 HydrophobicContact CG-CD1 3.67Å; L214-L218 HydrophobicContact CG-CG 4.3Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 WeakPolarHBondContact O-CG 3.35Å; L214-L218 PolarHBondContact O-N 3.07Å; L214-T225 HydrophobicContact CB-CG2 4.18Å; L214-T225 HydrophobicContact CD2-CG2 4.23Å; L214-T225 HydrophobicContact CG-CG2 4.17Å; L214-W304 HydrophobicContact CB-CH2 3.93Å; L214-W304 HydrophobicContact CB-CZ3 3.84Å; L214-W304 HydrophobicContact CD1-CH2 3.79Å; L214-W304 HydrophobicContact CG-CH2 4.48Å; L214-W315 HydrophobicContact CD1-CH2 4.14Å; L214-W315 HydrophobicContact CD1-CZ2 3.66Å
215A98.4Very high98.2Very high11 Ų1128.4 Ų28.49%0.09117%0.167CC..Hα-helixtrans-60.9-36.7177.200000113.4T211 E213 Q219 T225T211-A215 WeakPolarHBondContact O-CB 3.42Å; T211-A215 PolarHBondContact O-N 2.97Å; E213-A215 VanDerWaalsContact C-N 3.28Å; E213-A215 PolarHBondContact O-N 2.57Å; A215-Q219 WeakPolarHBondContact O-CG 3.22Å; A215-T225 HydrophobicContact CB-CG2 3.5Å
216K97.8Very high98.2Very high75 Ų7528.3 Ų28.333%0.32617%0.167SC..Hα-helixtrans-68.3-44176.3-64.7177.3-163.8157.20110.8R212 E213 L214 L218 Q219 N297R212-K216 PolarHBondContact O-N 2.91Å; E213-K216 WeakPolarHBondContact O-CB 3.31Å; E213-K216 PolarHBondContact O-N 3.35Å; E213-K216 VanDerWaalsContact O-N 3.12Å; E213-K216 IonicContact OE2-NZ 2.71Å; E213-K216 PolarHBondContact OE2-NZ 2.98Å; L214-K216 VanDerWaalsContact C-N 3.3Å; L214-K216 PolarHBondContact O-N 3.42Å; K216-L218 VanDerWaalsContact C-N 3.27Å; K216-L218 PolarHBondContact O-N 3.15Å; K216-Q219 WeakPolarHBondContact O-CB 3.37Å; K216-Q219 VanDerWaalsContact O-CG 3.31Å; K216-Q219 WeakPolarHBondContact O-CG 3.43Å; K216-Q219 PolarHBondContact O-N 2.92Å; K216-N297 PolarHBondContact NZ-OD1 2.76Å
217R97.6Very high98.2Very high86 Ų8628.3 Ų28.333%0.32517%0.167SC..Hα-helixtrans-70.4-22.8-178.1-69.1172.9174.4-100.63.3113.3E213 L214 W304 W315E213-R217 PolarHBondContact O-N 3.34Å; E213-R217 VanDerWaalsContact O-N 3.12Å; E213-R217 IonicContact OE1-NE 3.9Å; E213-R217 PolarHBondContact OE1-NE 2.9Å; L214-R217 PolarHBondContact O-N 3.44Å; R217-W304 VanDerWaalsContact CD-CE2 3.48Å; R217-W315 PolarHBondContact NH1-O 2.8Å
218L97.6Very high98.2Very high5 Ų528.2 Ų28.23%0.02617%0.166CC..THydrogen-bonded Turntrans-96.710.9177.2-66.8178.9000114.1L159 L214 K216 G220 T221 V223L159-L218 HydrophobicContact CD1-CD1 4.25Å; L159-L218 HydrophobicContact CD1-CD2 3.84Å; L159-L218 HydrophobicContact CD2-CD2 4.49Å; L159-L218 HydrophobicContact CG-CD2 4.39Å; L214-L218 HydrophobicContact CD1-CD1 3.65Å; L214-L218 HydrophobicContact CD1-CG 4Å; L214-L218 HydrophobicContact CD2-CD1 4.32Å; L214-L218 HydrophobicContact CG-CD1 3.67Å; L214-L218 HydrophobicContact CG-CG 4.3Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 WeakPolarHBondContact O-CG 3.35Å; L214-L218 PolarHBondContact O-N 3.07Å; K216-L218 VanDerWaalsContact C-N 3.27Å; K216-L218 PolarHBondContact O-N 3.15Å; L218-G220 PolarHBondContact O-N 3.3Å; L218-T221 HydrophobicContact CD2-CG2 4.3Å; L218-T221 PolarHBondContact O-N 3.33Å; L218-T221 PolarHBondContact O-OG1 3Å; L218-T221 VanDerWaalsContact O-OG1 3.1Å; L218-V223 HydrophobicContact CD1-CB 3.97Å; L218-V223 HydrophobicContact CD1-CG1 3.74Å
219Q96.8Very high97.9Very high154 Ų15428.8 Ų28.872%0.7217%0.169SC*.THydrogen-bonded Turntrans-58.6133.1174.2-73.5-179.61.500110.5A215 K216 T221A215-Q219 WeakPolarHBondContact O-CG 3.22Å; K216-Q219 WeakPolarHBondContact O-CB 3.37Å; K216-Q219 VanDerWaalsContact O-CG 3.31Å; K216-Q219 WeakPolarHBondContact O-CG 3.43Å; K216-Q219 PolarHBondContact O-N 2.92Å; Q219-T221 VanDerWaalsContact C-N 3.26Å; Q219-T221 PolarHBondContact O-N 3.47Å
220G96.4Very high97.2Very high89 Ų8929.3 Ų29.392%0.91817%0.172SC*.THydrogen-bonded Turntrans80.4-9.2-179.500000115.5L218L218-G220 PolarHBondContact O-N 3.3Å
221T97.6Very high96.3Very high39 Ų3929.7 Ų29.724%0.23918%0.177CC..THydrogen-bonded Turntrans-88.3-3.5-177.478.50000113.9A166 L218 Q219 V223A166-T221 WeakPolarHBondContact CB-O 3.42Å; L218-T221 HydrophobicContact CD2-CG2 4.3Å; L218-T221 PolarHBondContact O-N 3.33Å; L218-T221 PolarHBondContact O-OG1 3Å; L218-T221 VanDerWaalsContact O-OG1 3.1Å; Q219-T221 VanDerWaalsContact C-N 3.26Å; Q219-T221 PolarHBondContact O-N 3.47Å; T221-V223 PolarHBondContact O-N 3.48Å; T221-V223 PolarHBondContact OG1-N 3.34Å
222G97.8Very high95Very high43 Ų4333.4 Ų33.444%0.44320%0.2SC..THydrogen-bonded Turntrans70.57.9-173.400000114.7P167 A168P167-G222 WeakPolarHBondContact CA-O 3.49Å; A168-G222 PolarHBondContact N-O 3.26Å
223V98.6Very high93.5Very high4 Ų431.3 Ų31.32%0.02419%0.193CC..EExtended strand (participates in β ladder)trans-102.4125.9176.3-1730000109.4L162 K163 A168 V170 L218 T221L162-V223 HydrophobicContact CB-CG1 4.22Å; L162-V223 HydrophobicContact CB-CG2 4.23Å; K163-V223 HydrophobicContact CB-CG2 4.48Å; K163-V223 HydrophobicContact CG-CG2 4.13Å; A168-V223 HydrophobicContact CB-CG1 4.38Å; A168-V223 HydrophobicContact CB-CG2 4.29Å; A168-V223 WeakPolarHBondContact O-CA 3.49Å; V170-V223 HydrophobicContact CG2-CG1 4.35Å; L218-V223 HydrophobicContact CD1-CB 3.97Å; L218-V223 HydrophobicContact CD1-CG1 3.74Å; T221-V223 PolarHBondContact O-N 3.48Å; T221-V223 PolarHBondContact OG1-N 3.34Å
224T98.8Very high91.5Very high14 Ų1437.6 Ų37.69%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-111155.8-179.659.20000111.5A168 R169 V170 Y226 E275A168-T224 PolarHBondContact O-N 3.4Å; R169-T224 CarbonylContact C-O 3.53Å; R169-T224 WeakPolarHBondContact CA-O 3.48Å; V170-T224 PolarHBondContact N-O 3.2Å; T224-Y226 WeakPolarHBondContact CB-OH 3.42Å; T224-Y226 WeakPolarHBondContact OG1-CE2 3.36Å; T224-Y226 PolarHBondContact OG1-OH 2.92Å; T224-Y226 VanDerWaalsContact OG1-OH 3.13Å; T224-E275 HydrophobicContact CG2-CB 4.11Å; T224-E275 HydrophobicContact CG2-CG 4.1Å
225T98.6Very high89.5Confident0 Ų038.6 Ų38.60%022%0.223CC..EExtended strand (participates in β ladder)trans-138.7144.2-179.8-1770000112.8V170 T211 L214 A215 S278 G279V170-T225 CarbonylContact O-C 3.53Å; V170-T225 WeakPolarHBondContact O-CA 3.13Å; V170-T225 PolarHBondContact O-OG1 2.94Å; T211-T225 HydrophobicContact CG2-CG2 4.04Å; T211-T225 WeakPolarHBondContact O-CG2 3.41Å; L214-T225 HydrophobicContact CB-CG2 4.18Å; L214-T225 HydrophobicContact CD2-CG2 4.23Å; L214-T225 HydrophobicContact CG-CG2 4.17Å; A215-T225 HydrophobicContact CB-CG2 3.5Å; T225-S278 PolarHBondContact N-OG 2.63Å; T225-S278 CarbonylContact O-C 3.56Å; T225-S278 WeakPolarHBondContact O-CA 3.1Å; T225-G279 PolarHBondContact O-N 3.46Å
226Y98.8Very high87.7Confident0 Ų042.5 Ų42.50%024%0.239CC..EExtended strand (participates in β ladder)trans-140.6141.4-175.6-49.9-78.2000111V170 V171 N172 T224 C268 L274 E275 L277 F282V170-Y226 PolarHBondContact O-N 3.05Å; V171-Y226 WeakPolarHBondContact CA-O 3.4Å; N172-Y226 PolarHBondContact N-O 3.38Å; T224-Y226 WeakPolarHBondContact CB-OH 3.42Å; T224-Y226 WeakPolarHBondContact OG1-CE2 3.36Å; T224-Y226 PolarHBondContact OG1-OH 2.92Å; T224-Y226 VanDerWaalsContact OG1-OH 3.13Å; Y226-C268 HydrophobicContact CD2-CB 3.99Å; Y226-C268 HydrophobicContact CG-CB 4.01Å; Y226-L274 HydrophobicContact CE1-CB 4.1Å; Y226-L274 VanDerWaalsContact OH-C 3.23Å; Y226-L274 PolarHBondContact OH-O 3.14Å; Y226-L274 VanDerWaalsContact OH-O 3.08Å; Y226-E275 PolarHBondContact OH-N 3.17Å; Y226-L277 WeakPolarHBondContact CE1-O 3.31Å; Y226-F282 HydrophobicContact CD1-CD2 4.4Å; Y226-F282 AromaticContact CD1-CE2 3.72Å; Y226-F282 HydrophobicContact CD1-CE2 3.72Å; Y226-F282 HydrophobicContact CD1-CZ 4.4Å; Y226-F282 HydrophobicContact CE1-CE2 4.43Å
227A98.6Very high85.8Confident0 Ų040.9 Ų40.90%023%0.234CC..EExtended strand (participates in β ladder)trans-99.8136.1171.600000108.7N172 I208 T211 K280 Y281 F282N172-A227 CarbonylContact O-C 3.56Å; N172-A227 WeakPolarHBondContact O-CA 3.34Å; I208-A227 HydrophobicContact CG1-CB 4.13Å; T211-A227 HydrophobicContact CG2-CB 3.92Å; T211-A227 VanDerWaalsContact CG2-N 3.33Å; A227-K280 PolarHBondContact N-O 3.23Å; A227-Y281 HydrophobicContact CB-CD2 3.83Å; A227-Y281 CarbonylContact O-C 3.54Å; A227-Y281 VanDerWaalsContact O-CA 3.25Å; A227-Y281 WeakPolarHBondContact O-CA 3.4Å; A227-F282 PolarHBondContact O-N 3.09Å
228V97.4Very high83.9Confident0 Ų037.2 Ų37.20%022%0.221CC..EExtended strand (participates in β ladder)trans-127.4144.5-175.3-59.10000112.3V171 N172 V173 S174 T264 C268 F282V171-V228 HydrophobicContact CG1-CB 4.48Å; V171-V228 HydrophobicContact CG1-CG1 3.76Å; V171-V228 HydrophobicContact CG1-CG2 3.83Å; N172-V228 PolarHBondContact O-N 2.99Å; V173-V228 HydrophobicContact CB-CG2 4.25Å; V173-V228 HydrophobicContact CG2-CG2 3.75Å; S174-V228 CarbonylContact C-O 3.54Å; S174-V228 WeakPolarHBondContact CA-O 3.02Å; S174-V228 PolarHBondContact N-O 3.01Å; V228-T264 HydrophobicContact CB-CG2 3.99Å; V228-T264 HydrophobicContact CG1-CG2 4.03Å; V228-C268 HydrophobicContact CG1-CB 3.99Å; V228-C268 WeakPolarHBondContact CG1-SG 3.45Å; V228-F282 CarbonylContact C-O 3.1Å; V228-F282 WeakPolarHBondContact CA-O 3.27Å; V228-F282 HydrophobicContact CG1-CB 4.44Å
229H92.3Very high82.3Confident16 Ų1642.9 Ų42.97%0.07424%0.242CC..EExtended strand (participates in β ladder)trans-107.3123.6163.7174.945.5000109.8S175 V176 G231 Y281 F282 S283S175-H229 WeakPolarHBondContact CA-ND1 3.48Å; V176-H229 PolarHBondContact N-ND1 3Å; H229-G231 VanDerWaalsContact CE1-C 3.42Å; H229-G231 WeakPolarHBondContact CE1-CA 3.4Å; H229-G231 PolarHBondContact CE1-N 2.98Å; H229-G231 VanDerWaalsContact CE1-N 3.31Å; H229-G231 PolarHBondContact CE1-O 3.42Å; H229-G231 PolarHBondContact ND1-N 3.09Å; H229-G231 VanDerWaalsContact NE2-CA 3.25Å; H229-G231 WeakPolarHBondContact NE2-CA 3.42Å; H229-G231 PolarHBondContact NE2-N 3.09Å; H229-G231 PolarHBondContact O-N 3.48Å; H229-Y281 HydrophobicContact CB-CE1 4.44Å; H229-Y281 HydrophobicContact CB-CE2 4.22Å; H229-Y281 VanDerWaalsContact CB-OH 3.26Å; H229-Y281 WeakPolarHBondContact CB-OH 3.44Å; H229-F282 PolarHBondContact N-O 3.45Å; H229-S283 PolarHBondContact CD2-OG 3.33Å
230P85.9Confident80.6Confident12 Ų1239.4 Ų39.48%0.07823%0.226CC..  trans-80.2-0.9-18032.3-36.3000113.5I51 V173 V233 K256 G261I51-P230 HydrophobicContact CD1-CB 3.68Å; I51-P230 HydrophobicContact CD1-CG 3.82Å; V173-P230 HydrophobicContact CG1-CG 4.22Å; P230-V233 HydrophobicContact CB-CG2 4.07Å; P230-V233 VanDerWaalsContact O-CG2 3.28Å; P230-V233 WeakPolarHBondContact O-CG2 3.44Å; P230-K256 WeakPolarHBondContact O-CD 3.3Å; P230-G261 VanDerWaalsContact CB-O 3.28Å; P230-G261 WeakPolarHBondContact CB-O 3.41Å; P230-G261 WeakPolarHBondContact O-CA 3.44Å
231G79.1Confident78.9Confident12 Ų1236.1 Ų36.112%0.12419%0.189CC..  trans83.9-173.8-166.300000112.7H229 V233H229-G231 VanDerWaalsContact CE1-C 3.42Å; H229-G231 WeakPolarHBondContact CE1-CA 3.4Å; H229-G231 PolarHBondContact CE1-N 2.98Å; H229-G231 VanDerWaalsContact CE1-N 3.31Å; H229-G231 PolarHBondContact CE1-O 3.42Å; H229-G231 PolarHBondContact ND1-N 3.09Å; H229-G231 VanDerWaalsContact NE2-CA 3.25Å; H229-G231 WeakPolarHBondContact NE2-CA 3.42Å; H229-G231 PolarHBondContact NE2-N 3.09Å; H229-G231 PolarHBondContact O-N 3.48Å; G231-V233 PolarHBondContact O-N 3.18Å
232V72.3Confident77.3Confident78 Ų7839.4 Ų39.447%0.47321%0.213SC..SBendtrans-83.2100.1171.1-176.40000107.6W248 V255 K256V232-W248 HydrophobicContact CG1-CZ2 4.39Å; V232-V255 HydrophobicContact CG1-CG1 4.46Å; V232-V255 HydrophobicContact CG1-CG2 4.45Å; V232-V255 WeakPolarHBondContact O-CG1 3.32Å; V232-K256 WeakPolarHBondContact O-CB 3.16Å; V232-K256 PolarHBondContact O-N 2.98Å
233V65Low75.7Confident6 Ų642.5 Ų42.54%0.03622%0.219CC..BIsolated β-bridgetrans-111135.8-173.2-178.30000110.4I51 P230 G231 S235 W248 K256I51-V233 HydrophobicContact CD1-CB 3.91Å; I51-V233 HydrophobicContact CD1-CG1 3.95Å; I51-V233 HydrophobicContact CD1-CG2 3.88Å; I51-V233 HydrophobicContact CG1-CB 4.27Å; I51-V233 HydrophobicContact CG1-CG1 3.74Å; I51-V233 HydrophobicContact CG1-CG2 4.28Å; P230-V233 HydrophobicContact CB-CG2 4.07Å; P230-V233 VanDerWaalsContact O-CG2 3.28Å; P230-V233 WeakPolarHBondContact O-CG2 3.44Å; G231-V233 PolarHBondContact O-N 3.18Å; V233-S235 PolarHBondContact O-N 3.33Å; V233-S235 PolarHBondContact O-OG 3.26Å; V233-W248 WeakPolarHBondContact O-CH2 3.28Å; V233-W248 WeakPolarHBondContact O-CZ2 3.45Å; V233-W248 WeakPolarHBondContact O-CZ3 3.3Å; V233-K256 WeakPolarHBondContact CA-O 3.45Å; V233-K256 HydrophobicContact CB-CB 4.46Å; V233-K256 HydrophobicContact CG2-CB 3.89Å
234R57.9Low73.9Confident145 Ų14544.7 Ų44.755%0.54723%0.231SC..  trans-66.797.2171.9-168.1173.1176172-5.4108.4W248 S252 V255 K256R234-W248 HydrophobicContact CG-CE3 4.28Å; R234-S252 PolarHBondContact NH1-OG 2.81Å; R234-V255 HydrophobicContact CB-CG1 3.7Å; R234-K256 PolarHBondContact N-O 3.37Å
235S56.7Low72.1Confident22 Ų2246.7 Ų46.715%0.15424%0.244CC..  trans-126.4163.7-175.755.90000111.1V233 L237 W248V233-S235 PolarHBondContact O-N 3.33Å; V233-S235 PolarHBondContact O-OG 3.26Å; S235-L237 PolarHBondContact O-N 3.48Å; S235-L237 WeakPolarHBondContact OG-CB 3.31Å; S235-W248 VanDerWaalsContact O-CZ3 3.27Å; S235-W248 WeakPolarHBondContact O-CZ3 3.39Å
236E59.7Low70.3Confident93 Ų9351.4 Ų51.444%0.43527%0.269SS..G310 helixtrans-68.9-2.5173.9-64.9-171.3163.800113.2V238 R239E236-V238 PolarHBondContact O-N 2.82Å; E236-R239 VanDerWaalsContact O-CB 3.24Å; E236-R239 WeakPolarHBondContact O-CB 3.37Å; E236-R239 WeakPolarHBondContact O-CD 3.45Å; E236-R239 WeakPolarHBondContact O-CG 3.21Å; E236-R239 PolarHBondContact O-N 3.42Å; E236-R239 IonicContact OE2-NH1 2.72Å
237L58Low68.4Low41 Ų4154.5 Ų54.522%0.21529%0.285CS..G310 helixtrans-60-26.9-179.3-68.8175.3000113.3G127 M129 S235 R239G127-L237 WeakPolarHBondContact O-CD2 3.26Å; M129-L237 HydrophobicContact CB-CB 4.12Å; M129-L237 HydrophobicContact CB-CD2 4.44Å; M129-L237 HydrophobicContact CE-CB 4.02Å; S235-L237 PolarHBondContact O-N 3.48Å; S235-L237 WeakPolarHBondContact OG-CB 3.31Å; L237-R239 VanDerWaalsContact C-N 3.29Å; L237-R239 PolarHBondContact O-N 3.09Å
238V57.2Low66.6Low9 Ų956.3 Ų56.36%0.05529%0.292CS..G310 helixtrans-81.4-3.1178.1-67.30000114.1M129 E236 H240 S241 L244 C245 W248M129-V238 HydrophobicContact CE-CB 4.38Å; M129-V238 HydrophobicContact CE-CG1 3.46Å; M129-V238 VanDerWaalsContact CE-CG1 3.46Å; E236-V238 PolarHBondContact O-N 2.82Å; V238-H240 PolarHBondContact O-N 3Å; V238-S241 PolarHBondContact O-N 3.02Å; V238-L244 HydrophobicContact CB-CB 4.01Å; V238-L244 HydrophobicContact CG1-CB 3.82Å; V238-L244 HydrophobicContact CG1-CD1 4.29Å; V238-C245 PolarHBondContact O-SG 3.2Å; V238-C245 VanDerWaalsContact O-SG 3.37Å; V238-W248 HydrophobicContact CB-CE3 4.05Å; V238-W248 HydrophobicContact CB-CH2 4.27Å; V238-W248 HydrophobicContact CB-CZ3 3.85Å; V238-W248 HydrophobicContact CG1-CD2 3.87Å; V238-W248 HydrophobicContact CG1-CE3 3.61Å; V238-W248 HydrophobicContact CG1-CH2 3.24Å; V238-W248 HydrophobicContact CG1-CZ2 3.54Å; V238-W248 HydrophobicContact CG1-CZ3 3.27Å; V238-W248 HydrophobicContact CG2-CD2 4.21Å; V238-W248 HydrophobicContact CG2-CE3 3.32Å; V238-W248 HydrophobicContact CG2-CH2 4.19Å; V238-W248 HydrophobicContact CG2-CZ3 3.3Å
239R65.8Low64.8Low123 Ų12365.9 Ų65.946%0.46433%0.328SS..G310 helixtrans-55.1-20.8-173.969.8-169.7172.2-138.1-4.3114.6E236 L237E236-R239 VanDerWaalsContact O-CB 3.24Å; E236-R239 WeakPolarHBondContact O-CB 3.37Å; E236-R239 WeakPolarHBondContact O-CD 3.45Å; E236-R239 WeakPolarHBondContact O-CG 3.21Å; E236-R239 PolarHBondContact O-N 3.42Å; E236-R239 IonicContact OE2-NH1 2.72Å; L237-R239 VanDerWaalsContact C-N 3.29Å; L237-R239 PolarHBondContact O-N 3.09Å
240H60.3Low62.9Low82 Ų8270.8 Ų70.838%0.3835%0.354SS..G310 helixtrans-91.56.2177.5-61.1-65.3000114.2V238V238-H240 PolarHBondContact O-N 3Å
241S60.3Low61.6Low20 Ų2075.6 Ų75.614%0.1437%0.374CS..  trans-136.7105.2175.51790000111.2V238 L243 L244 C245V238-S241 PolarHBondContact O-N 3.02Å; S241-L243 VanDerWaalsContact C-N 3.26Å; S241-L243 PolarHBondContact O-N 2.73Å; S241-L244 PolarHBondContact O-N 2.97Å; S241-L244 WeakPolarHBondContact OG-CG 3.39Å; S241-L244 PolarHBondContact OG-N 2.8Å; S241-C245 PolarHBondContact O-N 2.91Å; S241-C245 PolarHBondContact O-SG 3.47Å
242S65.4Low60.6Low108 Ų10877.2 Ų77.276%0.75538%0.383SS*.Hα-helixtrans-57.2-39176.248.80000112.5C245 L246S242-C245 WeakPolarHBondContact O-CB 3.44Å; S242-C245 PolarHBondContact O-N 2.82Å; S242-L246 PolarHBondContact O-N 2.8Å
243L63.3Low59.9Low108 Ų10876.8 Ų76.857%0.56538%0.383SS*.Hα-helixtrans-62.6-45.8175.7179.762.2000112.2S241 L246 L247S241-L243 VanDerWaalsContact C-N 3.26Å; S241-L243 PolarHBondContact O-N 2.73Å; L243-L246 PolarHBondContact O-N 3.32Å; L243-L247 HydrophobicContact CD1-CD1 4.2Å; L243-L247 HydrophobicContact CD1-CG 4.31Å; L243-L247 HydrophobicContact CG-CD1 3.99Å; L243-L247 WeakPolarHBondContact O-CB 3.49Å; L243-L247 VanDerWaalsContact O-CG 3.3Å; L243-L247 WeakPolarHBondContact O-CG 3.01Å; L243-L247 PolarHBondContact O-N 3.37Å
244L60.1Low59.6Low50 Ų5080.6 Ų80.626%0.26240%0.399SS..Hα-helixtrans-69-36.5178.2-69.9174.1000111.9M129 M130 V238 S241 L246 L247 W248M129-L244 HydrophobicContact CE-CD1 4.42Å; M130-L244 HydrophobicContact CE-CD1 4.46Å; M130-L244 HydrophobicContact CG-CD1 4.03Å; V238-L244 HydrophobicContact CB-CB 4.01Å; V238-L244 HydrophobicContact CG1-CB 3.82Å; V238-L244 HydrophobicContact CG1-CD1 4.29Å; S241-L244 PolarHBondContact O-N 2.97Å; S241-L244 WeakPolarHBondContact OG-CG 3.39Å; S241-L244 PolarHBondContact OG-N 2.8Å; L244-L246 VanDerWaalsContact C-N 3.31Å; L244-L246 PolarHBondContact O-N 3.1Å; L244-L247 HydrophobicContact CD2-CD1 4.38Å; L244-L247 PolarHBondContact O-N 3.37Å; L244-W248 WeakPolarHBondContact O-CB 3.46Å; L244-W248 PolarHBondContact O-N 3.06Å
245C61.2Low60.2Low55 Ų5574.2 Ų74.237%0.37238%0.376SS..Hα-helixtrans-57.9-44.1171-72.60000111.7V238 S241 S242 R249V238-C245 PolarHBondContact O-SG 3.2Å; V238-C245 VanDerWaalsContact O-SG 3.37Å; S241-C245 PolarHBondContact O-N 2.91Å; S241-C245 PolarHBondContact O-SG 3.47Å; S242-C245 WeakPolarHBondContact O-CB 3.44Å; S242-C245 PolarHBondContact O-N 2.82Å; C245-R249 PolarHBondContact O-N 3.31Å; C245-R249 VanDerWaalsContact O-N 3.17Å
246L60.9Low61.3Low100 Ų10073.7 Ų73.752%0.52437%0.371SS..Hα-helixtrans-66-47.4177.3-176.764.6000111.6S242 L243 L244 W248 R249 L250S242-L246 PolarHBondContact O-N 2.8Å; L243-L246 PolarHBondContact O-N 3.32Å; L244-L246 VanDerWaalsContact C-N 3.31Å; L244-L246 PolarHBondContact O-N 3.1Å; L246-W248 VanDerWaalsContact C-N 3.35Å; L246-W248 PolarHBondContact O-N 3.24Å; L246-R249 WeakPolarHBondContact O-CB 3.45Å; L246-R249 PolarHBondContact O-N 2.83Å; L246-R249 VanDerWaalsContact O-N 3.12Å; L246-L250 HydrophobicContact CD1-CD1 4.47Å; L246-L250 HydrophobicContact CG-CD1 4.14Å; L246-L250 WeakPolarHBondContact O-CG 3.21Å; L246-L250 PolarHBondContact O-N 3.01Å
247L59Low62.5Low64 Ų6472.2 Ų72.234%0.33537%0.368SS..Hα-helixtrans-61-41.1178.4-71.7170.3000111.9L243 L244 R249 L250 F251L243-L247 HydrophobicContact CD1-CD1 4.2Å; L243-L247 HydrophobicContact CD1-CG 4.31Å; L243-L247 HydrophobicContact CG-CD1 3.99Å; L243-L247 WeakPolarHBondContact O-CB 3.49Å; L243-L247 VanDerWaalsContact O-CG 3.3Å; L243-L247 WeakPolarHBondContact O-CG 3.01Å; L243-L247 PolarHBondContact O-N 3.37Å; L244-L247 HydrophobicContact CD2-CD1 4.38Å; L244-L247 PolarHBondContact O-N 3.37Å; L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 2.82Å; L247-L250 PolarHBondContact O-N 3.24Å; L247-F251 HydrophobicContact CD2-CD2 4.49Å; L247-F251 HydrophobicContact CD2-CE2 4.1Å; L247-F251 VanDerWaalsContact O-CD2 3.31Å; L247-F251 WeakPolarHBondContact O-CD2 3.29Å; L247-F251 PolarHBondContact O-N 2.65Å
248W61.2Low63.9Low39 Ų3971.1 Ų71.115%0.14837%0.365CS..Hα-helixtrans-67.6-29.4175.5-82.72.7000113.9V232 V233 R234 S235 V238 L244 L246 S252 V255V232-W248 HydrophobicContact CG1-CZ2 4.39Å; V233-W248 WeakPolarHBondContact O-CH2 3.28Å; V233-W248 WeakPolarHBondContact O-CZ2 3.45Å; V233-W248 WeakPolarHBondContact O-CZ3 3.3Å; R234-W248 HydrophobicContact CG-CE3 4.28Å; S235-W248 VanDerWaalsContact O-CZ3 3.27Å; S235-W248 WeakPolarHBondContact O-CZ3 3.39Å; V238-W248 HydrophobicContact CB-CE3 4.05Å; V238-W248 HydrophobicContact CB-CH2 4.27Å; V238-W248 HydrophobicContact CB-CZ3 3.85Å; V238-W248 HydrophobicContact CG1-CD2 3.87Å; V238-W248 HydrophobicContact CG1-CE3 3.61Å; V238-W248 HydrophobicContact CG1-CH2 3.24Å; V238-W248 HydrophobicContact CG1-CZ2 3.54Å; V238-W248 HydrophobicContact CG1-CZ3 3.27Å; V238-W248 HydrophobicContact CG2-CD2 4.21Å; V238-W248 HydrophobicContact CG2-CE3 3.32Å; V238-W248 HydrophobicContact CG2-CH2 4.19Å; V238-W248 HydrophobicContact CG2-CZ3 3.3Å; L244-W248 WeakPolarHBondContact O-CB 3.46Å; L244-W248 PolarHBondContact O-N 3.06Å; L246-W248 VanDerWaalsContact C-N 3.35Å; L246-W248 PolarHBondContact O-N 3.24Å; W248-S252 PolarHBondContact O-N 3.11Å; W248-V255 HydrophobicContact CG-CG2 4.47Å
249R58.4Low65.6Low200 Ų20078.5 Ų78.576%0.75539%0.392SS*.Hα-helixtrans-69.1-37.2172.6-169.2173.6172.8173.6-3.2111.2C245 L246 L247C245-R249 PolarHBondContact O-N 3.31Å; C245-R249 VanDerWaalsContact O-N 3.17Å; L246-R249 WeakPolarHBondContact O-CB 3.45Å; L246-R249 PolarHBondContact O-N 2.83Å; L246-R249 VanDerWaalsContact O-N 3.12Å; L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 2.82Å
250L53.9Low66.8Low119 Ų11974.4 Ų74.462%0.62338%0.378SS*.Hα-helixtrans-76.4-35.1179.4-67.1170.3000113.3L246 L247L246-L250 HydrophobicContact CD1-CD1 4.47Å; L246-L250 HydrophobicContact CG-CD1 4.14Å; L246-L250 WeakPolarHBondContact O-CG 3.21Å; L246-L250 PolarHBondContact O-N 3.01Å; L247-L250 PolarHBondContact O-N 3.24Å
251F57.3Low68.3Low113 Ų11370.5 Ų70.550%0.49636%0.36SS..THydrogen-bonded Turntrans-10424-178.7-66.7-77.2000113.9L247 P253 F254L247-F251 HydrophobicContact CD2-CD2 4.49Å; L247-F251 HydrophobicContact CD2-CE2 4.1Å; L247-F251 VanDerWaalsContact O-CD2 3.31Å; L247-F251 WeakPolarHBondContact O-CD2 3.29Å; L247-F251 PolarHBondContact O-N 2.65Å; F251-P253 VanDerWaalsContact C-N 3.34Å; F251-P253 WeakPolarHBondContact O-CD 3.47Å; F251-P253 VanDerWaalsContact O-N 3.11Å; F251-F254 HydrophobicContact CB-CD2 4.24Å; F251-F254 HydrophobicContact CD1-CD2 4.01Å; F251-F254 HydrophobicContact CD1-CE2 4.35Å; F251-F254 WeakPolarHBondContact O-CB 3.35Å; F251-F254 PolarHBondContact O-N 3.46Å
252S59.1Low70Confident46 Ų4669.6 Ų69.632%0.32235%0.354SS..G310 helixtrans-49.8-34.2-175.7-166.60000116.8R234 W248 F254 V255R234-S252 PolarHBondContact NH1-OG 2.81Å; W248-S252 PolarHBondContact O-N 3.11Å; S252-F254 PolarHBondContact O-N 2.99Å; S252-V255 PolarHBondContact O-N 3.48Å
253P56.5Low71.5Confident70 Ų7065.4 Ų65.446%0.45532%0.322SS..G310 helixtrans-71.9-14176.525.2-32.5000114.4R23 F251R23-P253 VanDerWaalsContact CD-O 3.26Å; R23-P253 WeakPolarHBondContact CD-O 3.37Å; F251-P253 VanDerWaalsContact C-N 3.34Å; F251-P253 WeakPolarHBondContact O-CD 3.47Å; F251-P253 VanDerWaalsContact O-N 3.11Å
254F59.1Low73.1Confident85 Ų8560.3 Ų60.337%0.37330%0.296SS..G310 helixtrans-1011.9-179.7-54.5-74.4000113.1I22 F26 F251 S252I22-F254 HydrophobicContact CG2-CD1 4.17Å; I22-F254 HydrophobicContact CG2-CE1 3.64Å; F26-F254 HydrophobicContact CD1-CB 4.23Å; F26-F254 HydrophobicContact CD1-CD1 4.48Å; F26-F254 WeakPolarHBondContact CD1-O 3.49Å; F26-F254 AromaticContact CD2-CD1 3.64Å; F26-F254 HydrophobicContact CD2-CD1 3.64Å; F26-F254 HydrophobicContact CD2-CE1 4.35Å; F26-F254 HydrophobicContact CE1-CB 4.3Å; F26-F254 HydrophobicContact CE1-CD1 4.22Å; F26-F254 AromaticContact CE2-CD1 3.38Å; F26-F254 HydrophobicContact CE2-CD1 3.38Å; F26-F254 AromaticContact CE2-CE1 3.89Å; F26-F254 HydrophobicContact CE2-CE1 3.89Å; F26-F254 HydrophobicContact CG-CB 4.41Å; F26-F254 HydrophobicContact CG-CD1 4.23Å; F26-F254 AromaticContact CZ-CD1 3.68Å; F26-F254 HydrophobicContact CZ-CD1 3.68Å; F26-F254 HydrophobicContact CZ-CE1 4.38Å; F251-F254 HydrophobicContact CB-CD2 4.24Å; F251-F254 HydrophobicContact CD1-CD2 4.01Å; F251-F254 HydrophobicContact CD1-CE2 4.35Å; F251-F254 WeakPolarHBondContact O-CB 3.35Å; F251-F254 PolarHBondContact O-N 3.46Å; S252-F254 PolarHBondContact O-N 2.99Å
255V71.1Confident74.9Confident11 Ų1158 Ų587%0.06728%0.283CS..SBendtrans-109.8131.1-177.8-1790000109.1V232 R234 W248 S252V232-V255 HydrophobicContact CG1-CG1 4.46Å; V232-V255 HydrophobicContact CG1-CG2 4.45Å; V232-V255 WeakPolarHBondContact O-CG1 3.32Å; R234-V255 HydrophobicContact CB-CG1 3.7Å; W248-V255 HydrophobicContact CG-CG2 4.47Å; S252-V255 PolarHBondContact O-N 3.48Å
256K79.6Confident76.7Confident12 Ų1255.4 Ų55.45%0.05227%0.266CS..BIsolated β-bridgetrans-65.3145177.2-69.5-173.2-177.6-165.70111.4F26 A27 P230 V232 V233 R234 E260 D284F26-K256 WeakPolarHBondContact O-CE 3.42Å; F26-K256 WeakPolarHBondContact O-CG 3.26Å; A27-K256 WeakPolarHBondContact O-CE 3.41Å; A27-K256 PolarHBondContact O-NZ 3.41Å; P230-K256 WeakPolarHBondContact O-CD 3.3Å; V232-K256 WeakPolarHBondContact O-CB 3.16Å; V232-K256 PolarHBondContact O-N 2.98Å; V233-K256 WeakPolarHBondContact CA-O 3.45Å; V233-K256 HydrophobicContact CB-CB 4.46Å; V233-K256 HydrophobicContact CG2-CB 3.89Å; R234-K256 PolarHBondContact N-O 3.37Å; K256-E260 HydrophobicContact CB-CB 4.04Å; K256-E260 HydrophobicContact CD-CB 4.29Å; K256-E260 HydrophobicContact CG-CB 4.27Å; K256-D284 IonicContact NZ-OD1 3.89Å; K256-D284 PolarHBondContact NZ-OD1 3.34Å
257T85.1Confident78.5Confident61 Ų6152.2 Ų52.237%0.37425%0.248SC..  trans-68.1162.1163.161.60000110.4R259 E260 G261T257-R259 PolarHBondContact O-N 2.91Å; T257-E260 WeakPolarHBondContact CB-OE2 3.28Å; T257-E260 WeakPolarHBondContact CG2-OE2 3.35Å; T257-E260 PolarHBondContact N-OE2 3.39Å; T257-E260 PolarHBondContact O-N 2.89Å; T257-E260 VanDerWaalsContact OG1-CD 3.23Å; T257-E260 VanDerWaalsContact OG1-CG 3.29Å; T257-E260 WeakPolarHBondContact OG1-CG 3.35Å; T257-E260 PolarHBondContact OG1-N 3.27Å; T257-E260 PolarHBondContact OG1-OE2 2.92Å; T257-G261 PolarHBondContact O-N 2.96Å
258A88.1Confident80.4Confident18 Ų1849.2 Ų49.215%0.14923%0.232CC..Hα-helixtrans-57.2-36.9173.500000112.4E54 G261 A262E54-A258 HydrophobicContact CG-CB 3.57Å; A258-G261 PolarHBondContact O-N 3.33Å; A258-A262 PolarHBondContact O-N 2.94Å
259R91.4Very high82.1Confident165 Ų16547.5 Ų47.562%0.62323%0.227SC*.Hα-helixtrans-66.4-42.6179.6-174.3179.2-179-172.41.7111.9E54 T257 G261 A262 Q263E54-R259 HydrophobicContact CG-CB 4.33Å; T257-R259 PolarHBondContact O-N 2.91Å; R259-G261 VanDerWaalsContact C-N 3.33Å; R259-A262 PolarHBondContact O-N 3.07Å; R259-Q263 WeakPolarHBondContact O-CG 3.36Å; R259-Q263 PolarHBondContact O-NE2 2.89Å
260E91.8Very high84Confident36 Ų3638.2 Ų38.217%0.16819%0.192CC..Hα-helixtrans-67-36.9173.4-70.7160.4146.900111.4R23 A27 K256 T257 A262 Q263R23-E260 IonicContact CZ-OE1 3.6Å; R23-E260 VanDerWaalsContact CZ-OE1 3.24Å; R23-E260 IonicContact CZ-OE2 3.92Å; R23-E260 IonicContact NH1-OE1 2.82Å; R23-E260 PolarHBondContact NH1-OE1 2.91Å; R23-E260 IonicContact NH1-OE2 3.12Å; R23-E260 PolarHBondContact NH1-OE2 3.37Å; R23-E260 VanDerWaalsContact NH2-CD 3.28Å; R23-E260 IonicContact NH2-OE1 3.2Å; R23-E260 PolarHBondContact NH2-OE1 3.41Å; R23-E260 IonicContact NH2-OE2 3.24Å; R23-E260 PolarHBondContact NH2-OE2 2.86Å; A27-E260 HydrophobicContact CB-CG 4.17Å; A27-E260 WeakPolarHBondContact CB-OE1 3.23Å; K256-E260 HydrophobicContact CB-CB 4.04Å; K256-E260 HydrophobicContact CD-CB 4.29Å; K256-E260 HydrophobicContact CG-CB 4.27Å; T257-E260 WeakPolarHBondContact CB-OE2 3.28Å; T257-E260 WeakPolarHBondContact CG2-OE2 3.35Å; T257-E260 PolarHBondContact N-OE2 3.39Å; T257-E260 PolarHBondContact O-N 2.89Å; T257-E260 VanDerWaalsContact OG1-CD 3.23Å; T257-E260 VanDerWaalsContact OG1-CG 3.29Å; T257-E260 WeakPolarHBondContact OG1-CG 3.35Å; T257-E260 PolarHBondContact OG1-N 3.27Å; T257-E260 PolarHBondContact OG1-OE2 2.92Å; E260-A262 VanDerWaalsContact C-N 3.32Å; E260-A262 PolarHBondContact O-N 3.02Å; E260-Q263 WeakPolarHBondContact O-CB 2.98Å; E260-Q263 WeakPolarHBondContact O-CG 3.4Å; E260-Q263 PolarHBondContact O-N 2.77Å
261G91.1Very high86.1Confident0 Ų033.2 Ų33.20%017%0.168CC..Hα-helixtrans-64.2-33.6175.100000114.3P230 T257 A258 R259 Q263P230-G261 VanDerWaalsContact CB-O 3.28Å; P230-G261 WeakPolarHBondContact CB-O 3.41Å; P230-G261 WeakPolarHBondContact O-CA 3.44Å; T257-G261 PolarHBondContact O-N 2.96Å; A258-G261 PolarHBondContact O-N 3.33Å; R259-G261 VanDerWaalsContact C-N 3.33Å; G261-Q263 VanDerWaalsContact C-N 3.26Å; G261-Q263 PolarHBondContact O-N 2.88Å
262A96Very high87.9Confident1 Ų135.4 Ų35.41%0.00818%0.179CC..Hα-helixtrans-69.9-21.5179.300000113.3I51 E54 T55 A258 R259 E260 T264 S265 L266I51-A262 HydrophobicContact CG2-CB 4.24Å; E54-A262 HydrophobicContact CB-CB 4.04Å; T55-A262 WeakPolarHBondContact OG1-CB 3.29Å; A258-A262 PolarHBondContact O-N 2.94Å; R259-A262 PolarHBondContact O-N 3.07Å; E260-A262 VanDerWaalsContact C-N 3.32Å; E260-A262 PolarHBondContact O-N 3.02Å; A262-T264 PolarHBondContact O-N 3.21Å; A262-S265 WeakPolarHBondContact O-CB 3.4Å; A262-S265 PolarHBondContact O-N 2.84Å; A262-S265 VanDerWaalsContact O-N 3.14Å; A262-L266 HydrophobicContact CB-CD1 3.94Å; A262-L266 HydrophobicContact CB-CG 4.5Å; A262-L266 WeakPolarHBondContact O-CG 3.42Å; A262-L266 PolarHBondContact O-N 2.97Å
263Q97.5Very high89.6Confident21 Ų2135.9 Ų35.910%0.09819%0.192CC..Hα-helixtrans-58.4-41.8-168.6-63.9-56.3-53.400113.6G29 C31 R259 E260 G261 L266 H267 C285G29-Q263 WeakPolarHBondContact O-CB 3.42Å; C31-Q263 WeakPolarHBondContact CB-O 3.48Å; R259-Q263 WeakPolarHBondContact O-CG 3.36Å; R259-Q263 PolarHBondContact O-NE2 2.89Å; E260-Q263 WeakPolarHBondContact O-CB 2.98Å; E260-Q263 WeakPolarHBondContact O-CG 3.4Å; E260-Q263 PolarHBondContact O-N 2.77Å; G261-Q263 VanDerWaalsContact C-N 3.26Å; G261-Q263 PolarHBondContact O-N 2.88Å; Q263-L266 PolarHBondContact O-N 3.37Å; Q263-H267 WeakPolarHBondContact O-CB 3.49Å; Q263-H267 PolarHBondContact O-N 3.43Å; Q263-C285 PolarHBondContact O-SG 3.19Å; Q263-C285 VanDerWaalsContact O-SG 3.4Å
264T97.3Very high91.4Very high1 Ų133.1 Ų33.11%0.00617%0.173CC..Hα-helixtrans-73.2-35.1-178.7-570000112V228 A262 H267 C268 F282 D284 C285V228-T264 HydrophobicContact CB-CG2 3.99Å; V228-T264 HydrophobicContact CG1-CG2 4.03Å; A262-T264 PolarHBondContact O-N 3.21Å; T264-H267 PolarHBondContact O-N 3.04Å; T264-C268 PolarHBondContact O-N 3.34Å; T264-C268 PolarHBondContact O-SG 3.02Å; T264-C268 VanDerWaalsContact O-SG 3.33Å; T264-F282 HydrophobicContact CG2-CB 3.7Å; T264-D284 PolarHBondContact OG1-N 3.49Å; T264-C285 PolarHBondContact OG1-N 3.07Å; T264-C285 VanDerWaalsContact OG1-N 3.1Å
265S98.3Very high93.2Very high0 Ų032.9 Ų32.90%017%0.173CC..Hα-helixtrans-63.1-46.4172.2-570000110.9A262 H267 C268 A269A262-S265 WeakPolarHBondContact O-CB 3.4Å; A262-S265 PolarHBondContact O-N 2.84Å; A262-S265 VanDerWaalsContact O-N 3.14Å; S265-H267 PolarHBondContact O-N 3.45Å; S265-C268 PolarHBondContact O-N 2.79Å; S265-A269 VanDerWaalsContact O-CB 3.27Å; S265-A269 WeakPolarHBondContact O-CB 3.32Å; S265-A269 PolarHBondContact O-N 3.3Å
266L98.5Very high94.5Very high2 Ų237.7 Ų37.71%0.0121%0.205CC..Hα-helixtrans-61.1-43.5175.8-71.2163.6000111.6C31 T55 E58 L59 A262 Q263 C268 A269 L270C31-L266 HydrophobicContact CB-CB 4.12Å; T55-L266 HydrophobicContact CG2-CD2 4.02Å; T55-L266 HydrophobicContact CG2-CG 4.32Å; E58-L266 HydrophobicContact CB-CD1 3.88Å; E58-L266 HydrophobicContact CB-CD2 3.79Å; E58-L266 HydrophobicContact CB-CG 4.49Å; E58-L266 HydrophobicContact CG-CD1 3.7Å; E58-L266 HydrophobicContact CG-CD2 3.68Å; E58-L266 HydrophobicContact CG-CG 4.3Å; L59-L266 HydrophobicContact CD2-CD2 4.1Å; L59-L266 HydrophobicContact CG-CD2 3.93Å; A262-L266 HydrophobicContact CB-CD1 3.94Å; A262-L266 HydrophobicContact CB-CG 4.5Å; A262-L266 WeakPolarHBondContact O-CG 3.42Å; A262-L266 PolarHBondContact O-N 2.97Å; Q263-L266 PolarHBondContact O-N 3.37Å; L266-C268 PolarHBondContact O-N 3.45Å; L266-A269 PolarHBondContact O-N 2.91Å; L266-L270 HydrophobicContact CB-CD1 4.27Å; L266-L270 HydrophobicContact CD2-CD1 4.12Å; L266-L270 WeakPolarHBondContact O-CB 3.13Å; L266-L270 VanDerWaalsContact O-CG 3.31Å; L266-L270 WeakPolarHBondContact O-CG 3.46Å; L266-L270 PolarHBondContact O-N 2.88Å
267H98.4Very high95.4Very high33 Ų3339.8 Ų39.815%0.15322%0.216CC..Hα-helixtrans-57.8-48.8175.9176.674000111.6C31 Q263 T264 S265 A269 L270 A271 C285C31-H267 HydrophobicContact CB-CB 4.17Å; C31-H267 WeakPolarHBondContact SG-CA 3.07Å; Q263-H267 WeakPolarHBondContact O-CB 3.49Å; Q263-H267 PolarHBondContact O-N 3.43Å; T264-H267 PolarHBondContact O-N 3.04Å; S265-H267 PolarHBondContact O-N 3.45Å; H267-A269 VanDerWaalsContact C-N 3.31Å; H267-A269 PolarHBondContact O-N 3.27Å; H267-L270 PolarHBondContact O-N 2.97Å; H267-A271 WeakPolarHBondContact O-CB 3.24Å; H267-A271 PolarHBondContact O-N 3.11Å; H267-C285 HydrophobicContact CB-CB 3.89Å; H267-C285 PolarHBondContact NE2-O 2.97Å
268C98.4Very high96Very high0 Ų038.3 Ų38.30%021%0.208CC..Hα-helixtrans-68.2-32.1178.3-62.40000112.6R169 V171 Y226 V228 T264 S265 L266R169-C268 WeakPolarHBondContact CD-O 3.36Å; R169-C268 PolarHBondContact NH1-O 3Å; V171-C268 HydrophobicContact CG1-CB 4.35Å; V171-C268 HydrophobicContact CG2-CB 3.99Å; Y226-C268 HydrophobicContact CD2-CB 3.99Å; Y226-C268 HydrophobicContact CG-CB 4.01Å; V228-C268 HydrophobicContact CG1-CB 3.99Å; V228-C268 WeakPolarHBondContact CG1-SG 3.45Å; T264-C268 PolarHBondContact O-N 3.34Å; T264-C268 PolarHBondContact O-SG 3.02Å; T264-C268 VanDerWaalsContact O-SG 3.33Å; S265-C268 PolarHBondContact O-N 2.79Å; L266-C268 PolarHBondContact O-N 3.45Å
269A98.3Very high96.5Very high4 Ų437.8 Ų37.83%0.03321%0.205CC..Hα-helixtrans-73.6-28.1177.600000113.6I121 I123 R169 V171 S265 L266 H267I121-A269 HydrophobicContact CD1-CB 4.4Å; I121-A269 HydrophobicContact CG2-CB 4.02Å; I123-A269 HydrophobicContact CD1-CB 4.26Å; R169-A269 WeakPolarHBondContact CD-O 3.36Å; V171-A269 HydrophobicContact CG2-CB 4.29Å; S265-A269 VanDerWaalsContact O-CB 3.27Å; S265-A269 WeakPolarHBondContact O-CB 3.32Å; S265-A269 PolarHBondContact O-N 3.3Å; L266-A269 PolarHBondContact O-N 2.91Å; H267-A269 VanDerWaalsContact C-N 3.31Å; H267-A269 PolarHBondContact O-N 3.27Å
270L98Very high96.8Very high5 Ų534 Ų343%0.02619%0.192CC..Hα-helixtrans-122.9-28.9-165.7-64.9170000115.6T33 L37 L59 L266 H267 E272T33-L270 HydrophobicContact CG2-CB 3.37Å; T33-L270 HydrophobicContact CG2-CD1 3.8Å; T33-L270 HydrophobicContact CG2-CG 4.23Å; L37-L270 HydrophobicContact CD1-CD2 3.61Å; L37-L270 HydrophobicContact CD2-CD2 3.98Å; L37-L270 HydrophobicContact CG-CD2 3.93Å; L59-L270 HydrophobicContact CD2-CD1 4.23Å; L59-L270 HydrophobicContact CD2-CD2 3.79Å; L59-L270 HydrophobicContact CD2-CG 4.1Å; L266-L270 HydrophobicContact CB-CD1 4.27Å; L266-L270 HydrophobicContact CD2-CD1 4.12Å; L266-L270 WeakPolarHBondContact O-CB 3.13Å; L266-L270 VanDerWaalsContact O-CG 3.31Å; L266-L270 WeakPolarHBondContact O-CG 3.46Å; L266-L270 PolarHBondContact O-N 2.88Å; H267-L270 PolarHBondContact O-N 2.97Å; L270-E272 PolarHBondContact O-N 2.75Å
271A96.9Very high97.2Very high13 Ų1332.7 Ų32.711%0.10719%0.186CC..  trans-71.8124.9-171.600000110.9R169 H267 L274R169-A271 VanDerWaalsContact CZ-O 3.24Å; R169-A271 PolarHBondContact NH1-O 3.2Å; R169-A271 PolarHBondContact NH2-O 3.48Å; H267-A271 WeakPolarHBondContact O-CB 3.24Å; H267-A271 PolarHBondContact O-N 3.11Å; A271-L274 HydrophobicContact CB-CD1 3.82Å; A271-L274 HydrophobicContact CB-CG 4.03Å
272E94.8Very high97.5Very high159 Ų15932.9 Ų32.974%0.74319%0.187SC*.THydrogen-bonded Turntrans-71151.5174.5-62172.5125.900110.4V35 L270 L274V35-E272 HydrophobicContact CG2-CG 4.13Å; L270-E272 PolarHBondContact O-N 2.75Å; E272-L274 VanDerWaalsContact C-N 3.31Å; E272-L274 PolarHBondContact O-N 2.85Å
273G94.6Very high97.4Very high56 Ų5633.4 Ų33.458%0.57719%0.191SC*.THydrogen-bonded Turntrans81.15.2179.600000114.8E275G273-E275 VanDerWaalsContact C-N 3.31Å; G273-E275 VanDerWaalsContact C-OE2 3.26Å; G273-E275 WeakPolarHBondContact CA-OE2 3.27Å; G273-E275 PolarHBondContact N-OE2 3.23Å
274L95.8Very high97.2Very high13 Ų1335.1 Ų35.17%0.06820%0.201CC..  trans-80.4-11.7173.8-71.9-173.2000113.3Y226 A271 E272 P276 L277 F282Y226-L274 HydrophobicContact CE1-CB 4.1Å; Y226-L274 VanDerWaalsContact OH-C 3.23Å; Y226-L274 PolarHBondContact OH-O 3.14Å; Y226-L274 VanDerWaalsContact OH-O 3.08Å; A271-L274 HydrophobicContact CB-CD1 3.82Å; A271-L274 HydrophobicContact CB-CG 4.03Å; E272-L274 VanDerWaalsContact C-N 3.31Å; E272-L274 PolarHBondContact O-N 2.85Å; L274-P276 VanDerWaalsContact C-CD 3.45Å; L274-L277 HydrophobicContact CD2-CD1 4.04Å; L274-L277 CarbonylContact O-C 3.57Å; L274-L277 VanDerWaalsContact O-CA 3.29Å; L274-L277 WeakPolarHBondContact O-CA 3.43Å; L274-L277 VanDerWaalsContact O-CB 3.26Å; L274-L277 WeakPolarHBondContact O-CB 3.46Å; L274-L277 PolarHBondContact O-N 3.11Å; L274-F282 HydrophobicContact CD2-CE1 3.95Å; L274-F282 HydrophobicContact CD2-CZ 4.05Å
275E96.9Very high97.2Very high79 Ų7935.8 Ų35.837%0.36921%0.205SC..G310 helixtrans-53.2-42.5-172.2-64.768.3-154.400113.6R169 T224 Y226 G273 L277 S278R169-E275 IonicContact CZ-OE1 3.24Å; R169-E275 IonicContact NH2-OE1 3.5Å; R169-E275 PolarHBondContact NH2-OE1 3.07Å; T224-E275 HydrophobicContact CG2-CB 4.11Å; T224-E275 HydrophobicContact CG2-CG 4.1Å; Y226-E275 PolarHBondContact OH-N 3.17Å; G273-E275 VanDerWaalsContact C-N 3.31Å; G273-E275 VanDerWaalsContact C-OE2 3.26Å; G273-E275 WeakPolarHBondContact CA-OE2 3.27Å; G273-E275 PolarHBondContact N-OE2 3.23Å; E275-L277 PolarHBondContact O-N 2.84Å; E275-L277 VanDerWaalsContact O-N 3.11Å; E275-S278 WeakPolarHBondContact O-CB 2.95Å; E275-S278 PolarHBondContact O-N 2.97Å; E275-S278 VanDerWaalsContact O-N 3.11Å
276P97.7Very high97Very high113 Ų11343.1 Ų43.173%0.73424%0.237SC*.G310 helixtrans-64.4-15174.8-21.334.8000114.2L274L274-P276 VanDerWaalsContact C-CD 3.45Å
277L98.1Very high97Very high55 Ų5548.9 Ų48.929%0.28826%0.259SS..G310 helixtrans-98.316.6178.3-53.9179.5000112.6Y226 L274 E275 G279 K280 F282Y226-L277 WeakPolarHBondContact CE1-O 3.31Å; L274-L277 HydrophobicContact CD2-CD1 4.04Å; L274-L277 CarbonylContact O-C 3.57Å; L274-L277 VanDerWaalsContact O-CA 3.29Å; L274-L277 WeakPolarHBondContact O-CA 3.43Å; L274-L277 VanDerWaalsContact O-CB 3.26Å; L274-L277 WeakPolarHBondContact O-CB 3.46Å; L274-L277 PolarHBondContact O-N 3.11Å; E275-L277 PolarHBondContact O-N 2.84Å; E275-L277 VanDerWaalsContact O-N 3.11Å; L277-G279 PolarHBondContact O-N 3.4Å; L277-K280 HydrophobicContact CB-CB 4.46Å; L277-K280 HydrophobicContact CB-CG 4.05Å; L277-K280 VanDerWaalsContact O-CB 3.23Å; L277-K280 WeakPolarHBondContact O-CB 3.5Å; L277-K280 WeakPolarHBondContact O-CG 3.32Å; L277-K280 PolarHBondContact O-N 2.78Å; L277-K280 VanDerWaalsContact O-N 3.13Å; L277-F282 HydrophobicContact CB-CE2 4.47Å; L277-F282 HydrophobicContact CB-CZ 3.97Å; L277-F282 HydrophobicContact CD1-CE1 4.35Å; L277-F282 HydrophobicContact CD1-CZ 3.86Å
278S98.6Very high96.7Very high30 Ų3049.9 Ų49.921%0.2127%0.267CS..THydrogen-bonded Turntrans-53.8138.2169.7-169.50000111.1T225 E275 K280T225-S278 PolarHBondContact N-OG 2.63Å; T225-S278 CarbonylContact O-C 3.56Å; T225-S278 WeakPolarHBondContact O-CA 3.1Å; E275-S278 WeakPolarHBondContact O-CB 2.95Å; E275-S278 PolarHBondContact O-N 2.97Å; E275-S278 VanDerWaalsContact O-N 3.11Å; S278-K280 VanDerWaalsContact C-N 3.32Å; S278-K280 PolarHBondContact O-N 2.95Å
279G98.3Very high96.5Very high7 Ų758 Ų587%0.07230%0.298CS..THydrogen-bonded Turntrans80.34.1-175.400000115R212 T225 L277R212-G279 VanDerWaalsContact CG-O 3.24Å; R212-G279 WeakPolarHBondContact CG-O 3.29Å; T225-G279 PolarHBondContact O-N 3.46Å; L277-G279 PolarHBondContact O-N 3.4Å
280K98.4Very high96.4Very high85 Ų8558.7 Ų58.737%0.3730%0.302SS..EExtended strand (participates in β ladder)trans-92.8166.8179.4-53.3-59.2178.8-173.90112.3A227 L277 S278 F282 R287A227-K280 PolarHBondContact N-O 3.23Å; L277-K280 HydrophobicContact CB-CB 4.46Å; L277-K280 HydrophobicContact CB-CG 4.05Å; L277-K280 VanDerWaalsContact O-CB 3.23Å; L277-K280 WeakPolarHBondContact O-CB 3.5Å; L277-K280 WeakPolarHBondContact O-CG 3.32Å; L277-K280 PolarHBondContact O-N 2.78Å; L277-K280 VanDerWaalsContact O-N 3.13Å; S278-K280 VanDerWaalsContact C-N 3.32Å; S278-K280 PolarHBondContact O-N 2.95Å; K280-F282 HydrophobicContact CB-CE2 3.87Å; K280-R287 HydrophobicContact CB-CG 4.37Å
281Y98.4Very high96.2Very high10 Ų1058.7 Ų58.74%0.03930%0.302CS..EExtended strand (participates in β ladder)trans-108.4138180177.8-101000110.7S175 V176 H178 I208 A227 H229 T288 V290S175-Y281 PolarHBondContact O-OH 2.85Å; V176-Y281 PolarHBondContact N-OH 3.15Å; H178-Y281 AromaticContact CE1-CZ 3.79Å; H178-Y281 AromaticContact ND1-CZ 3.95Å; H178-Y281 PolarHBondContact ND1-OH 3.2Å; I208-Y281 HydrophobicContact CD1-CD2 3.74Å; I208-Y281 HydrophobicContact CD1-CE2 3.69Å; I208-Y281 HydrophobicContact CG1-CD2 3.97Å; I208-Y281 HydrophobicContact CG1-CE2 4.19Å; A227-Y281 HydrophobicContact CB-CD2 3.83Å; A227-Y281 CarbonylContact O-C 3.54Å; A227-Y281 VanDerWaalsContact O-CA 3.25Å; A227-Y281 WeakPolarHBondContact O-CA 3.4Å; H229-Y281 HydrophobicContact CB-CE1 4.44Å; H229-Y281 HydrophobicContact CB-CE2 4.22Å; H229-Y281 VanDerWaalsContact CB-OH 3.26Å; H229-Y281 WeakPolarHBondContact CB-OH 3.44Å; Y281-T288 HydrophobicContact CD1-CG2 4.46Å; Y281-T288 HydrophobicContact CE1-CG2 4.37Å; Y281-T288 PolarHBondContact O-N 3.39Å; Y281-V290 HydrophobicContact CD1-CG1 3.56Å; Y281-V290 HydrophobicContact CD2-CG1 4.1Å; Y281-V290 HydrophobicContact CE1-CG1 4.31Å; Y281-V290 HydrophobicContact CG-CG1 3.39Å
282F98.2Very high96.2Very high3 Ų362.6 Ų62.61%0.01333%0.326CS..EExtended strand (participates in β ladder)trans-126.6142.2-176-69.8-105.8000111.4Y226 A227 V228 H229 T264 L274 L277 K280 K286 R287Y226-F282 HydrophobicContact CD1-CD2 4.4Å; Y226-F282 AromaticContact CD1-CE2 3.72Å; Y226-F282 HydrophobicContact CD1-CE2 3.72Å; Y226-F282 HydrophobicContact CD1-CZ 4.4Å; Y226-F282 HydrophobicContact CE1-CE2 4.43Å; A227-F282 PolarHBondContact O-N 3.09Å; V228-F282 CarbonylContact C-O 3.1Å; V228-F282 WeakPolarHBondContact CA-O 3.27Å; V228-F282 HydrophobicContact CG1-CB 4.44Å; H229-F282 PolarHBondContact N-O 3.45Å; T264-F282 HydrophobicContact CG2-CB 3.7Å; L274-F282 HydrophobicContact CD2-CE1 3.95Å; L274-F282 HydrophobicContact CD2-CZ 4.05Å; L277-F282 HydrophobicContact CB-CE2 4.47Å; L277-F282 HydrophobicContact CB-CZ 3.97Å; L277-F282 HydrophobicContact CD1-CE1 4.35Å; L277-F282 HydrophobicContact CD1-CZ 3.86Å; K280-F282 HydrophobicContact CB-CE2 3.87Å; F282-K286 VanDerWaalsContact CA-O 3.25Å; F282-K286 WeakPolarHBondContact CA-O 3.49Å; F282-K286 VanDerWaalsContact CD1-C 3.42Å; F282-R287 HydrophobicContact CE1-CB 4.15Å; F282-R287 HydrophobicContact CZ-CB 4.38Å
283S94.6Very high96.3Very high13 Ų1361.1 Ų61.19%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-140.3142.3169.1-1720000107.3H229 C285 K286 T288H229-S283 PolarHBondContact CD2-OG 3.33Å; S283-C285 PolarHBondContact O-N 3.09Å; S283-K286 PolarHBondContact N-O 3.47Å; S283-K286 PolarHBondContact O-N 3.26Å; S283-T288 PolarHBondContact N-OG1 3.19Å
284D93.6Very high96.4Very high57 Ų5758.5 Ų58.531%0.30529%0.286SS..THydrogen-bonded Turntrans51.843.3178.4-62.5-52.8000113G28 G29 K256 T264 K286G28-D284 VanDerWaalsContact CA-OD1 3.22Å; G28-D284 WeakPolarHBondContact CA-OD1 3.4Å; G29-D284 PolarHBondContact N-OD1 3.08Å; G29-D284 VanDerWaalsContact N-OD1 3.12Å; K256-D284 IonicContact NZ-OD1 3.89Å; K256-D284 PolarHBondContact NZ-OD1 3.34Å; T264-D284 PolarHBondContact OG1-N 3.49Å; D284-K286 PolarHBondContact O-N 3.13Å
285C95.7Very high96.4Very high15 Ų1563.6 Ų63.610%0.10131%0.305CS..THydrogen-bonded Turntrans56.426.4-177.8-53.40000114.3V30 Q263 T264 H267 S283V30-C285 VanDerWaalsContact C-SG 3.52Å; Q263-C285 PolarHBondContact O-SG 3.19Å; Q263-C285 VanDerWaalsContact O-SG 3.4Å; T264-C285 PolarHBondContact OG1-N 3.07Å; T264-C285 VanDerWaalsContact OG1-N 3.1Å; H267-C285 HydrophobicContact CB-CB 3.89Å; H267-C285 PolarHBondContact NE2-O 2.97Å; S283-C285 PolarHBondContact O-N 3.09Å
286K95.9Very high96.5Very high153 Ų15363.3 Ų63.367%0.66531%0.306SS*.EExtended strand (participates in β ladder)trans-136146.7178.3-67.2-177.9-178.5-178.30111.7F282 S283 D284 T288F282-K286 VanDerWaalsContact CA-O 3.25Å; F282-K286 WeakPolarHBondContact CA-O 3.49Å; F282-K286 VanDerWaalsContact CD1-C 3.42Å; S283-K286 PolarHBondContact N-O 3.47Å; S283-K286 PolarHBondContact O-N 3.26Å; D284-K286 PolarHBondContact O-N 3.13Å; K286-T288 PolarHBondContact O-N 3.07Å; K286-T288 PolarHBondContact O-OG1 3.46Å; K286-T288 VanDerWaalsContact O-OG1 3.12Å
287R96.7Very high96.4Very high123 Ų12361.7 Ų61.746%0.46429%0.291SS..EExtended strand (participates in β ladder)trans-58.6125171.3-174.9-174.473.389.6-5.7109.1K280 F282K280-R287 HydrophobicContact CB-CG 4.37Å; F282-R287 HydrophobicContact CE1-CB 4.15Å; F282-R287 HydrophobicContact CZ-CB 4.38Å
288T93.9Very high96.4Very high54 Ų5467.1 Ų67.133%0.33131%0.312SS..  trans-124.5153.5-176.6-59.10000110.4Y281 S283 K286Y281-T288 HydrophobicContact CD1-CG2 4.46Å; Y281-T288 HydrophobicContact CE1-CG2 4.37Å; Y281-T288 PolarHBondContact O-N 3.39Å; S283-T288 PolarHBondContact N-OG1 3.19Å; K286-T288 PolarHBondContact O-N 3.07Å; K286-T288 PolarHBondContact O-OG1 3.46Å; K286-T288 VanDerWaalsContact O-OG1 3.12Å
289W92.9Very high96.4Very high171 Ų17167.2 Ų67.265%0.64831%0.312SS*.  trans-71.7150.7176.7-70.6103.7000111.9
290V95.9Very high96.4Very high19 Ų1967 Ų6712%0.11531%0.309CS..  trans-119.2162.3175.9-620000110.1I208 Y281 A294 R295I208-V290 HydrophobicContact CD1-CG1 4.2Å; I208-V290 HydrophobicContact CG2-CG1 4.19Å; Y281-V290 HydrophobicContact CD1-CG1 3.56Å; Y281-V290 HydrophobicContact CD2-CG1 4.1Å; Y281-V290 HydrophobicContact CE1-CG1 4.31Å; Y281-V290 HydrophobicContact CG-CG1 3.39Å; V290-A294 HydrophobicContact CB-CB 3.78Å; V290-A294 HydrophobicContact CG2-CB 3.77Å; V290-R295 HydrophobicContact CG2-CG 3.62Å
291S95Very high96.4Very high4 Ų467.7 Ų67.73%0.02831%0.314CS..  trans-56.6153.9177.676.40000112.8H178 R293 A294 R295H178-S291 PolarHBondContact NE2-N 3.06Å; S291-R293 PolarHBondContact O-N 2.91Å; S291-A294 WeakPolarHBondContact O-CB 3.37Å; S291-A294 PolarHBondContact O-N 3.21Å; S291-A294 PolarHBondContact OG-N 3.42Å; S291-R295 PolarHBondContact O-N 3.46Å
292P97Very high96.4Very high95 Ų9573.8 Ų73.862%0.61734%0.337SS*.G310 helixtrans-53.8-35.8173.3-26.534.7000113A294 R295 N296P292-A294 VanDerWaalsContact C-N 3.32Å; P292-A294 PolarHBondContact O-N 3.04Å; P292-R295 PolarHBondContact O-N 2.9Å; P292-R295 VanDerWaalsContact O-N 3.11Å; P292-N296 PolarHBondContact O-N 3.26Å
293R97.1Very high96.4Very high129 Ų12973.8 Ų73.849%0.48734%0.337SS..G310 helixtrans-63-37.8176.7-63.4-175.3-176.498.26.5112.2L205 S291 R295 N296L205-R293 HydrophobicContact CD2-CB 4.31Å; S291-R293 PolarHBondContact O-N 2.91Å; R293-R295 PolarHBondContact O-N 2.9Å; R293-N296 PolarHBondContact O-N 3.11Å
294A96.4Very high96.6Very high0 Ų073.4 Ų73.40%033%0.333CS..G310 helixtrans-71.8-14.5176.700000113.6L205 I208 R212 V290 S291 P292L205-A294 HydrophobicContact CD1-CB 3.57Å; I208-A294 HydrophobicContact CB-CB 4.48Å; I208-A294 HydrophobicContact CG2-CB 3.93Å; R212-A294 WeakPolarHBondContact CD-O 3.37Å; R212-A294 PolarHBondContact NE-O 3.27Å; V290-A294 HydrophobicContact CB-CB 3.78Å; V290-A294 HydrophobicContact CG2-CB 3.77Å; S291-A294 WeakPolarHBondContact O-CB 3.37Å; S291-A294 PolarHBondContact O-N 3.21Å; S291-A294 PolarHBondContact OG-N 3.42Å; P292-A294 VanDerWaalsContact C-N 3.32Å; P292-A294 PolarHBondContact O-N 3.04Å
295R96.3Very high96.9Very high120 Ų12074 Ų7445%0.45334%0.337SS..G310 helixtrans-94.8-5.4176.3-63.8-175.5-79.7150.1-2.4113.5V290 S291 P292 R293 N297V290-R295 HydrophobicContact CG2-CG 3.62Å; S291-R295 PolarHBondContact O-N 3.46Å; P292-R295 PolarHBondContact O-N 2.9Å; P292-R295 VanDerWaalsContact O-N 3.11Å; R293-R295 PolarHBondContact O-N 2.9Å; R295-N297 PolarHBondContact O-N 2.98Å
296N97.9Very high97Very high73 Ų7374.8 Ų74.839%0.3934%0.341SS..  trans-75.5109.5-175.4-172.4-43.1000111.3P292 R293 K298 T299 A300P292-N296 PolarHBondContact O-N 3.26Å; R293-N296 PolarHBondContact O-N 3.11Å; N296-K298 WeakPolarHBondContact OD1-CB 3.2Å; N296-K298 PolarHBondContact OD1-N 3.33Å; N296-T299 VanDerWaalsContact CG-OG1 3.27Å; N296-T299 PolarHBondContact O-N 2.72Å; N296-T299 PolarHBondContact OD1-N 2.97Å; N296-T299 PolarHBondContact OD1-OG1 3.37Å; N296-A300 PolarHBondContact O-N 3Å; N296-A300 VanDerWaalsContact O-N 3.09Å
297N96.8Very high97.1Very high79 Ų7967.5 Ų67.542%0.42231%0.309SS..Hα-helixtrans-65-40.3-178.8-70.2-22.2000112.7R212 K216 R295 T299 A300 E301R212-N297 PolarHBondContact NH2-OD1 2.95Å; R212-N297 VanDerWaalsContact NH2-OD1 3.15Å; K216-N297 PolarHBondContact NZ-OD1 2.76Å; R295-N297 PolarHBondContact O-N 2.98Å; N297-T299 VanDerWaalsContact C-N 3.31Å; N297-T299 PolarHBondContact O-N 3.16Å; N297-A300 PolarHBondContact O-N 2.99Å; N297-A300 VanDerWaalsContact O-N 3.16Å; N297-E301 WeakPolarHBondContact O-CB 3.3Å; N297-E301 PolarHBondContact O-N 3.39Å
298K97.9Very high97.2Very high169 Ų16962.3 Ų62.374%0.73529%0.291SS*.Hα-helixtrans-62.2-39.7178-64.6-174.9176.2-175.40111.5N296 R302N296-K298 WeakPolarHBondContact OD1-CB 3.2Å; N296-K298 PolarHBondContact OD1-N 3.33Å; K298-R302 VanDerWaalsContact O-CB 3.25Å; K298-R302 WeakPolarHBondContact O-CB 3.47Å; K298-R302 PolarHBondContact O-N 2.7Å
299T98.2Very high97.4Very high32 Ų3266.7 Ų66.720%0.19631%0.308CS..Hα-helixtrans-66.9-40.5175.2-570000111.5I183 F185 L209 N296 N297 L303I183-T299 HydrophobicContact CB-CG2 4.06Å; I183-T299 HydrophobicContact CG1-CG2 4.05Å; F185-T299 HydrophobicContact CE2-CG2 4.02Å; F185-T299 HydrophobicContact CZ-CG2 4.03Å; L209-T299 HydrophobicContact CD1-CG2 3.83Å; N296-T299 VanDerWaalsContact CG-OG1 3.27Å; N296-T299 PolarHBondContact O-N 2.72Å; N296-T299 PolarHBondContact OD1-N 2.97Å; N296-T299 PolarHBondContact OD1-OG1 3.37Å; N297-T299 VanDerWaalsContact C-N 3.31Å; N297-T299 PolarHBondContact O-N 3.16Å; T299-L303 WeakPolarHBondContact O-CB 3.46Å; T299-L303 PolarHBondContact O-N 3.24Å
300A98.4Very high97.6Very high2 Ų261.4 Ų61.42%0.01729%0.292CS..Hα-helixtrans-63.6-48.6179.200000111.5L209 E213 N296 N297 L303 W304L209-A300 HydrophobicContact CB-CB 4.17Å; L209-A300 HydrophobicContact CD2-CB 3.91Å; E213-A300 HydrophobicContact CB-CB 4.29Å; N296-A300 PolarHBondContact O-N 3Å; N296-A300 VanDerWaalsContact O-N 3.09Å; N297-A300 PolarHBondContact O-N 2.99Å; N297-A300 VanDerWaalsContact O-N 3.16Å; A300-L303 PolarHBondContact O-N 3.24Å; A300-W304 WeakPolarHBondContact O-CB 3.28Å; A300-W304 PolarHBondContact O-N 3.15Å
301E98.2Very high97.8Very high100 Ų10061 Ų6147%0.46729%0.29SS..Hα-helixtrans-62.2-47176.9-176.3-178.3-171.100111.9N297 L303 W304 N305N297-E301 WeakPolarHBondContact O-CB 3.3Å; N297-E301 PolarHBondContact O-N 3.39Å; E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.14Å; E301-W304 VanDerWaalsContact O-CB 3.28Å; E301-W304 WeakPolarHBondContact O-CB 3.15Å; E301-W304 PolarHBondContact O-N 3.47Å; E301-W304 VanDerWaalsContact O-N 3.16Å; E301-N305 PolarHBondContact O-N 3.32Å
302R98.4Very high97.9Very high139 Ų13964.2 Ų64.253%0.52532%0.323SS..Hα-helixtrans-62.2-41176.7-174.9177175176.43112.1F185 K298 W304 N305 V306F185-R302 HydrophobicContact CD1-CG 4.05Å; F185-R302 HydrophobicContact CE1-CB 4.12Å; F185-R302 HydrophobicContact CE1-CG 3.63Å; F185-R302 HydrophobicContact CE2-CB 4.35Å; F185-R302 HydrophobicContact CE2-CG 4.14Å; F185-R302 HydrophobicContact CG-CG 4.47Å; F185-R302 HydrophobicContact CZ-CB 3.77Å; F185-R302 HydrophobicContact CZ-CG 3.68Å; K298-R302 VanDerWaalsContact O-CB 3.25Å; K298-R302 WeakPolarHBondContact O-CB 3.47Å; K298-R302 PolarHBondContact O-N 2.7Å; R302-W304 VanDerWaalsContact C-N 3.3Å; R302-N305 PolarHBondContact O-N 3.33Å; R302-V306 HydrophobicContact CG-CG2 4.49Å; R302-V306 VanDerWaalsContact O-CG2 3.31Å; R302-V306 WeakPolarHBondContact O-CG2 3.46Å; R302-V306 PolarHBondContact O-N 3.43Å
303L98.6Very high97.9Very high3 Ų360.4 Ų60.42%0.01630%0.297CS..Hα-helixtrans-65.1-36.9176.3179.764.1000111.5I183 F185 A206 L209 T299 A300 E301 S307I183-L303 HydrophobicContact CD1-CD2 4.19Å; I183-L303 HydrophobicContact CG1-CD2 4.37Å; I183-L303 HydrophobicContact CG2-CD1 4.2Å; F185-L303 HydrophobicContact CE1-CB 4.17Å; F185-L303 HydrophobicContact CE1-CD1 4.47Å; F185-L303 HydrophobicContact CZ-CB 4.21Å; A206-L303 HydrophobicContact CB-CD2 3.78Å; L209-L303 HydrophobicContact CB-CD2 4.04Å; L209-L303 HydrophobicContact CD1-CD2 3.91Å; T299-L303 WeakPolarHBondContact O-CB 3.46Å; T299-L303 PolarHBondContact O-N 3.24Å; A300-L303 PolarHBondContact O-N 3.24Å; E301-L303 VanDerWaalsContact C-N 3.33Å; E301-L303 PolarHBondContact O-N 3.14Å; L303-S307 VanDerWaalsContact O-CB 3.3Å; L303-S307 WeakPolarHBondContact O-CB 3.37Å; L303-S307 PolarHBondContact O-N 3.37Å; L303-S307 PolarHBondContact O-OG 3.17Å
304W98.6Very high97.7Very high5 Ų564.1 Ų64.12%0.01931%0.311CS..Hα-helixtrans-59.6-51.7174.2-169.2-80.9000111.7F152 F210 E213 L214 R217 A300 E301 R302 V306 S307 C308 W315F152-W304 AromaticContact CE2-CD2 3.7Å; F152-W304 HydrophobicContact CE2-CD2 3.7Å; F152-W304 AromaticContact CE2-CE3 3.64Å; F152-W304 HydrophobicContact CE2-CE3 3.64Å; F152-W304 HydrophobicContact CE2-CG 4.25Å; F152-W304 HydrophobicContact CE2-CH2 4.36Å; F152-W304 HydrophobicContact CE2-CZ2 4.41Å; F152-W304 AromaticContact CE2-CZ3 3.98Å; F152-W304 HydrophobicContact CE2-CZ3 3.98Å; F152-W304 AromaticContact CZ-CD2 3.79Å; F152-W304 HydrophobicContact CZ-CD2 3.79Å; F152-W304 AromaticContact CZ-CE2 3.78Å; F152-W304 HydrophobicContact CZ-CE3 4.19Å; F152-W304 HydrophobicContact CZ-CG 4.12Å; F152-W304 HydrophobicContact CZ-CZ2 4.24Å; F210-W304 AromaticContact CD2-CE3 3.95Å; F210-W304 HydrophobicContact CD2-CE3 3.95Å; F210-W304 HydrophobicContact CD2-CH2 4.28Å; F210-W304 AromaticContact CD2-CZ3 3.45Å; F210-W304 HydrophobicContact CD2-CZ3 3.45Å; F210-W304 VanDerWaalsContact CD2-CZ3 3.45Å; F210-W304 HydrophobicContact CE2-CE3 4.33Å; F210-W304 AromaticContact CE2-CH2 3.89Å; F210-W304 HydrophobicContact CE2-CH2 3.89Å; F210-W304 AromaticContact CE2-CZ3 3.53Å; F210-W304 HydrophobicContact CE2-CZ3 3.53Å; E213-W304 HydrophobicContact CB-CD2 4.47Å; E213-W304 HydrophobicContact CB-CE3 3.6Å; E213-W304 HydrophobicContact CB-CZ3 3.93Å; E213-W304 HydrophobicContact CG-CB 4.14Å; E213-W304 HydrophobicContact CG-CD2 3.82Å; E213-W304 HydrophobicContact CG-CE3 3.43Å; E213-W304 VanDerWaalsContact CG-CE3 3.43Å; E213-W304 HydrophobicContact CG-CG 4.15Å; E213-W304 HydrophobicContact CG-CZ3 4.04Å; L214-W304 HydrophobicContact CB-CH2 3.93Å; L214-W304 HydrophobicContact CB-CZ3 3.84Å; L214-W304 HydrophobicContact CD1-CH2 3.79Å; L214-W304 HydrophobicContact CG-CH2 4.48Å; R217-W304 VanDerWaalsContact CD-CE2 3.48Å; A300-W304 WeakPolarHBondContact O-CB 3.28Å; A300-W304 PolarHBondContact O-N 3.15Å; E301-W304 VanDerWaalsContact O-CB 3.28Å; E301-W304 WeakPolarHBondContact O-CB 3.15Å; E301-W304 PolarHBondContact O-N 3.47Å; E301-W304 VanDerWaalsContact O-N 3.16Å; R302-W304 VanDerWaalsContact C-N 3.3Å; W304-V306 PolarHBondContact O-N 3.01Å; W304-S307 WeakPolarHBondContact O-CB 3.34Å; W304-S307 PolarHBondContact O-N 3.49Å; W304-S307 VanDerWaalsContact O-N 3.14Å; W304-C308 PolarHBondContact O-N 2.89Å; W304-C308 PolarHBondContact O-SG 3.27Å; W304-W315 AromaticContact CE2-CD2 3.9Å; W304-W315 AromaticContact CE2-CG 3.99Å; W304-W315 HydrophobicContact CH2-CD2 4.11Å; W304-W315 AromaticContact CH2-CE2 3.88Å; W304-W315 HydrophobicContact CH2-CE3 4.28Å; W304-W315 HydrophobicContact CH2-CH2 4.03Å; W304-W315 AromaticContact CH2-CZ2 3.86Å; W304-W315 HydrophobicContact CH2-CZ2 3.86Å; W304-W315 HydrophobicContact CH2-CZ3 4.22Å; W304-W315 HydrophobicContact CZ2-CB 4.43Å; W304-W315 AromaticContact CZ2-CD1 3.85Å; W304-W315 AromaticContact CZ2-CD2 3.25Å; W304-W315 HydrophobicContact CZ2-CD2 3.25Å; W304-W315 AromaticContact CZ2-CE2 3.36Å; W304-W315 AromaticContact CZ2-CE3 3.61Å; W304-W315 HydrophobicContact CZ2-CE3 3.61Å; W304-W315 AromaticContact CZ2-CG 3.6Å; W304-W315 HydrophobicContact CZ2-CG 3.6Å; W304-W315 HydrophobicContact CZ2-CH2 4.13Å; W304-W315 AromaticContact CZ2-CZ2 3.83Å; W304-W315 HydrophobicContact CZ2-CZ2 3.83Å; W304-W315 HydrophobicContact CZ2-CZ3 4.01Å; W304-W315 AromaticContact CZ2-NE1 3.71Å; W304-W315 AromaticContact NE1-CG 3.78Å
305N98.4Very high97.2Very high70 Ų7065.1 Ų65.137%0.37432%0.315SS..Hα-helixtrans-61.8-47.5-179.1-64.9-11.1000111.2E301 R302 S307 C308 E309E301-N305 PolarHBondContact O-N 3.32Å; R302-N305 PolarHBondContact O-N 3.33Å; N305-S307 VanDerWaalsContact C-N 3.27Å; N305-S307 PolarHBondContact O-N 2.98Å; N305-C308 WeakPolarHBondContact O-CB 3.27Å; N305-C308 PolarHBondContact O-N 3.19Å; N305-C308 VanDerWaalsContact O-N 3.09Å; N305-E309 WeakPolarHBondContact O-CG 3.41Å; N305-E309 PolarHBondContact O-N 2.98Å
306V98.3Very high95.9Very high30 Ų3069.9 Ų69.918%0.18234%0.342CS..Hα-helixtrans-62.2-35.8176.1173.50000111.6F185 L188 R302 W304 E309 L310F185-V306 HydrophobicContact CD1-CG2 4.36Å; L188-V306 HydrophobicContact CD2-CG1 3.61Å; R302-V306 HydrophobicContact CG-CG2 4.49Å; R302-V306 VanDerWaalsContact O-CG2 3.31Å; R302-V306 WeakPolarHBondContact O-CG2 3.46Å; R302-V306 PolarHBondContact O-N 3.43Å; W304-V306 PolarHBondContact O-N 3.01Å; V306-E309 PolarHBondContact O-N 3.42Å; V306-L310 HydrophobicContact CG1-CD1 3.9Å; V306-L310 HydrophobicContact CG1-CG 4.2Å; V306-L310 WeakPolarHBondContact O-CB 3.17Å; V306-L310 WeakPolarHBondContact O-CG 3.3Å; V306-L310 PolarHBondContact O-N 2.82Å
307S98.6Very high95.8Very high1 Ų169.8 Ų69.81%0.00734%0.34CS..Hα-helixtrans-65.6-40.3175.1-57.40000111.2H148 L303 W304 N305 L311H148-S307 PolarHBondContact NE2-OG 3.42Å; L303-S307 VanDerWaalsContact O-CB 3.3Å; L303-S307 WeakPolarHBondContact O-CB 3.37Å; L303-S307 PolarHBondContact O-N 3.37Å; L303-S307 PolarHBondContact O-OG 3.17Å; W304-S307 WeakPolarHBondContact O-CB 3.34Å; W304-S307 PolarHBondContact O-N 3.49Å; W304-S307 VanDerWaalsContact O-N 3.14Å; N305-S307 VanDerWaalsContact C-N 3.27Å; N305-S307 PolarHBondContact O-N 2.98Å; S307-L311 VanDerWaalsContact O-CB 3.31Å; S307-L311 WeakPolarHBondContact O-CB 3.3Å; S307-L311 WeakPolarHBondContact O-CD1 3.5Å; S307-L311 VanDerWaalsContact O-CG 3.26Å; S307-L311 WeakPolarHBondContact O-CG 3.48Å; S307-L311 PolarHBondContact O-N 2.91Å; S307-L311 VanDerWaalsContact O-N 3.11Å
308C98.5Very high95.7Very high13 Ų1369.3 Ų69.39%0.08834%0.336CS..Hα-helixtrans-63.4-45.6174.7-64.60000111.8W304 N305 L311 G312 I313W304-C308 PolarHBondContact O-N 2.89Å; W304-C308 PolarHBondContact O-SG 3.27Å; N305-C308 WeakPolarHBondContact O-CB 3.27Å; N305-C308 PolarHBondContact O-N 3.19Å; N305-C308 VanDerWaalsContact O-N 3.09Å; C308-L311 CarbonylContact O-C 3.6Å; C308-L311 PolarHBondContact O-N 3.41Å; C308-G312 PolarHBondContact O-N 2.88Å; C308-I313 HydrophobicContact CB-CG1 4.25Å; C308-I313 WeakPolarHBondContact CB-O 3.43Å; C308-I313 PolarHBondContact O-N 3.46Å
309E98.1Very high95.6Very high146 Ų14663.7 Ų63.768%0.68231%0.313SS*.Hα-helixtrans-59.5-50.8176.6-72.6169-169.300111.7N305 V306 L311 G312N305-E309 WeakPolarHBondContact O-CG 3.41Å; N305-E309 PolarHBondContact O-N 2.98Å; V306-E309 PolarHBondContact O-N 3.42Å; E309-L311 PolarHBondContact O-N 3.17Å; E309-G312 PolarHBondContact O-N 3.04Å; E309-G312 VanDerWaalsContact O-N 3.13Å
310L98.2Very high95.5Very high60 Ų6065.6 Ų65.631%0.31432%0.32SS..Hα-helixtrans-59.8-35.2179.1-73.4172.6000112.3F140 L149 L188 V306F140-L310 HydrophobicContact CE1-CB 4.01Å; F140-L310 HydrophobicContact CE1-CD2 4.14Å; F140-L310 HydrophobicContact CZ-CB 4.24Å; F140-L310 VanDerWaalsContact CZ-O 3.28Å; F140-L310 WeakPolarHBondContact CZ-O 3.44Å; L149-L310 HydrophobicContact CD1-CD1 4.1Å; L149-L310 HydrophobicContact CD2-CD1 4.38Å; L188-L310 HydrophobicContact CD2-CD1 4.17Å; V306-L310 HydrophobicContact CG1-CD1 3.9Å; V306-L310 HydrophobicContact CG1-CG 4.2Å; V306-L310 WeakPolarHBondContact O-CB 3.17Å; V306-L310 WeakPolarHBondContact O-CG 3.3Å; V306-L310 PolarHBondContact O-N 2.82Å
311L98.4Very high95.3Very high12 Ų1269.6 Ų69.66%0.06334%0.339CS..Hα-helixtrans-90.2-4.4-178.7-68.7168.4000113.5T102 F140 L149 F152 L153 S307 C308 E309 I313T102-L311 HydrophobicContact CG2-CD2 3.88Å; F140-L311 HydrophobicContact CE2-CD2 4.03Å; F140-L311 HydrophobicContact CZ-CD2 4.4Å; L149-L311 HydrophobicContact CB-CD2 4.37Å; L149-L311 HydrophobicContact CD2-CD1 4.27Å; L149-L311 HydrophobicContact CD2-CG 4.43Å; F152-L311 HydrophobicContact CB-CD1 4.29Å; F152-L311 HydrophobicContact CD1-CD1 3.54Å; F152-L311 HydrophobicContact CE1-CD1 4.33Å; F152-L311 HydrophobicContact CG-CD1 4.28Å; L153-L311 HydrophobicContact CB-CD1 3.98Å; L153-L311 HydrophobicContact CB-CD2 4.17Å; L153-L311 HydrophobicContact CD2-CD2 4.27Å; S307-L311 VanDerWaalsContact O-CB 3.31Å; S307-L311 WeakPolarHBondContact O-CB 3.3Å; S307-L311 WeakPolarHBondContact O-CD1 3.5Å; S307-L311 VanDerWaalsContact O-CG 3.26Å; S307-L311 WeakPolarHBondContact O-CG 3.48Å; S307-L311 PolarHBondContact O-N 2.91Å; S307-L311 VanDerWaalsContact O-N 3.11Å; C308-L311 CarbonylContact O-C 3.6Å; C308-L311 PolarHBondContact O-N 3.41Å; E309-L311 PolarHBondContact O-N 3.17Å; L311-I313 VanDerWaalsContact C-N 3.29Å; L311-I313 HydrophobicContact CB-CD1 4.26Å; L311-I313 HydrophobicContact CB-CG1 4.01Å; L311-I313 HydrophobicContact CB-CG2 4.44Å; L311-I313 HydrophobicContact CD1-CD1 4.29Å; L311-I313 PolarHBondContact O-N 3.12Å
312G97.5Very high95.1Very high70 Ų7067.5 Ų67.572%0.72233%0.331SS*.THydrogen-bonded Turntrans59.136.7-175.900000113.3C308 E309C308-G312 PolarHBondContact O-N 2.88Å; E309-G312 PolarHBondContact O-N 3.04Å; E309-G312 VanDerWaalsContact O-N 3.13Å
313I97.4Very high94.9Very high16 Ų1662.4 Ų62.48%0.08232%0.317CS..  trans-117.1157.9179.862.1174.2000111.7F152 L153 Y156 C308 L311 W315F152-I313 HydrophobicContact CD1-CD1 4.09Å; F152-I313 HydrophobicContact CE1-CD1 3.82Å; L153-I313 HydrophobicContact CD1-CD1 4.35Å; L153-I313 HydrophobicContact CD1-CG2 4.03Å; Y156-I313 HydrophobicContact CD1-CB 4.32Å; Y156-I313 HydrophobicContact CD1-CD1 3.76Å; Y156-I313 HydrophobicContact CD1-CG2 4.15Å; Y156-I313 HydrophobicContact CD2-CD1 4.06Å; Y156-I313 HydrophobicContact CE1-CB 3.98Å; Y156-I313 HydrophobicContact CE1-CD1 4.27Å; Y156-I313 HydrophobicContact CE1-CG2 3.89Å; Y156-I313 HydrophobicContact CG-CD1 3.65Å; C308-I313 HydrophobicContact CB-CG1 4.25Å; C308-I313 WeakPolarHBondContact CB-O 3.43Å; C308-I313 PolarHBondContact O-N 3.46Å; L311-I313 VanDerWaalsContact C-N 3.29Å; L311-I313 HydrophobicContact CB-CD1 4.26Å; L311-I313 HydrophobicContact CB-CG1 4.01Å; L311-I313 HydrophobicContact CB-CG2 4.44Å; L311-I313 HydrophobicContact CD1-CD1 4.29Å; L311-I313 PolarHBondContact O-N 3.12Å; I313-W315 HydrophobicContact CD1-CE3 4.42Å
314R93.7Very high94.6Very high207 Ų20767 Ų6778%0.78134%0.34SS*.  trans-116.7116.9172.2-66.8-175.7-178.8-177.30.7108.6Y156Y156-R314 VanDerWaalsContact CE2-O 3.31Å; Y156-R314 WeakPolarHBondContact CE2-O 3.49Å; Y156-R314 PolarHBondContact OH-O 3.18Å; Y156-R314 VanDerWaalsContact OH-O 3.1Å
315W85.8Confident94.2Very high21 Ų2172.2 Ų72.28%0.0837%0.367CS..  trans-9893.3179.3-158.8-48.8000109.1F152 T155 Y156 L159 F210 L214 R217 W304 I313F152-W315 HydrophobicContact CD1-CE3 4.24Å; F152-W315 AromaticContact CD1-CZ3 3.86Å; F152-W315 HydrophobicContact CD1-CZ3 3.86Å; F152-W315 HydrophobicContact CD2-CZ3 4.45Å; F152-W315 AromaticContact CE1-CE3 3.46Å; F152-W315 HydrophobicContact CE1-CE3 3.46Å; F152-W315 VanDerWaalsContact CE1-CE3 3.46Å; F152-W315 AromaticContact CE1-CZ3 3.52Å; F152-W315 HydrophobicContact CE1-CZ3 3.52Å; F152-W315 HydrophobicContact CE2-CE3 4.38Å; F152-W315 HydrophobicContact CE2-CZ3 4.13Å; F152-W315 HydrophobicContact CG-CZ3 4.32Å; F152-W315 AromaticContact CZ-CE3 3.53Å; F152-W315 HydrophobicContact CZ-CE3 3.53Å; F152-W315 AromaticContact CZ-CZ3 3.66Å; F152-W315 HydrophobicContact CZ-CZ3 3.66Å; T155-W315 HydrophobicContact CG2-CH2 4.27Å; Y156-W315 VanDerWaalsContact CB-CZ3 3.43Å; Y156-W315 HydrophobicContact CD2-CB 4.49Å; Y156-W315 AromaticContact CD2-CD2 3.69Å; Y156-W315 HydrophobicContact CD2-CD2 3.69Å; Y156-W315 AromaticContact CD2-CE3 3.58Å; Y156-W315 HydrophobicContact CD2-CE3 3.58Å; Y156-W315 HydrophobicContact CD2-CG 4.14Å; Y156-W315 HydrophobicContact CD2-CZ3 4.07Å; Y156-W315 HydrophobicContact CE2-CB 4.49Å; Y156-W315 HydrophobicContact CE2-CD2 4.46Å; Y156-W315 HydrophobicContact CE2-CG 4.47Å; Y156-W315 HydrophobicContact CG-CE3 4.09Å; Y156-W315 HydrophobicContact CG-CZ3 4.2Å; L159-W315 HydrophobicContact CD1-CZ2 4.13Å; L159-W315 HydrophobicContact CD2-CZ2 3.69Å; L159-W315 HydrophobicContact CG-CZ2 4.43Å; F210-W315 HydrophobicContact CE2-CH2 4.24Å; F210-W315 HydrophobicContact CE2-CZ3 4.42Å; F210-W315 HydrophobicContact CZ-CH2 4.44Å; L214-W315 HydrophobicContact CD1-CH2 4.14Å; L214-W315 HydrophobicContact CD1-CZ2 3.66Å; R217-W315 PolarHBondContact NH1-O 2.8Å; W304-W315 AromaticContact CE2-CD2 3.9Å; W304-W315 AromaticContact CE2-CG 3.99Å; W304-W315 HydrophobicContact CH2-CD2 4.11Å; W304-W315 AromaticContact CH2-CE2 3.88Å; W304-W315 HydrophobicContact CH2-CE3 4.28Å; W304-W315 HydrophobicContact CH2-CH2 4.03Å; W304-W315 AromaticContact CH2-CZ2 3.86Å; W304-W315 HydrophobicContact CH2-CZ2 3.86Å; W304-W315 HydrophobicContact CH2-CZ3 4.22Å; W304-W315 HydrophobicContact CZ2-CB 4.43Å; W304-W315 AromaticContact CZ2-CD1 3.85Å; W304-W315 AromaticContact CZ2-CD2 3.25Å; W304-W315 HydrophobicContact CZ2-CD2 3.25Å; W304-W315 AromaticContact CZ2-CE2 3.36Å; W304-W315 AromaticContact CZ2-CE3 3.61Å; W304-W315 HydrophobicContact CZ2-CE3 3.61Å; W304-W315 AromaticContact CZ2-CG 3.6Å; W304-W315 HydrophobicContact CZ2-CG 3.6Å; W304-W315 HydrophobicContact CZ2-CH2 4.13Å; W304-W315 AromaticContact CZ2-CZ2 3.83Å; W304-W315 HydrophobicContact CZ2-CZ2 3.83Å; W304-W315 HydrophobicContact CZ2-CZ3 4.01Å; W304-W315 AromaticContact CZ2-NE1 3.71Å; W304-W315 AromaticContact NE1-CG 3.78Å; I313-W315 HydrophobicContact CD1-CE3 4.42Å
316E68.1Low93.9Very high220 Ų22072.4 Ų72.4100%1.02837%0.366SS*.  trans-71.20172.5-62.7-177.4-179.400111.4

Retrieved 316 of 316 residues in 918.1 ms (Link to these results)

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