A0A087WWJ8_HUMAN Loading...

Serpin family B member 11

AlphaFold DB , UniProt , Accession A0A087WWJ8, Species HUMAN (Homo sapiens, Human), Gene SERPINB11, Length 181 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
1M49.5Very low85.1Confident207 Ų20753.3 Ų53.3100%1.0231%0.31SS*.  0140.80-82.5169.4172.400107.8
2G66.4Low86.1Confident41 Ų4152.4 Ų52.442%0.42331%0.308SS..  trans-66.7161.1175.600000111L4 S5 T6G2-L4 VanDerWaalsContact C-N 3.32Å; G2-L4 PolarHBondContact O-N 3.48Å; G2-S5 PolarHBondContact O-N 2.91Å; G2-S5 VanDerWaalsContact O-N 3.14Å; G2-T6 PolarHBondContact O-N 2.94Å
3S77.6Confident87Confident24 Ų2455.5 Ų55.517%0.16832%0.322CS..Hα-helixtrans-61.5-41.9-176.193.60000111.3S5 T6 A7 T63 E86S3-S5 PolarHBondContact O-N 3.09Å; S3-T6 PolarHBondContact O-N 3.44Å; S3-A7 PolarHBondContact O-N 3.2Å; S3-T63 WeakPolarHBondContact OG-CG2 3.06Å; S3-E86 PolarHBondContact OG-OE1 2.58Å; S3-E86 PolarHBondContact OG-OE2 2.96Å
4L86.6Confident87.7Confident7 Ų756.2 Ų56.24%0.03732%0.324CS..Hα-helixtrans-62.7-36.7172.9-176.860.2000114.4G2 A7 N8 L36 F60 I83 E86 F87 E90G2-L4 VanDerWaalsContact C-N 3.32Å; G2-L4 PolarHBondContact O-N 3.48Å; L4-A7 PolarHBondContact O-N 2.98Å; L4-N8 WeakPolarHBondContact O-CB 3.42Å; L4-N8 PolarHBondContact O-N 3.02Å; L4-L36 HydrophobicContact CD1-CD2 3.69Å; L4-F60 HydrophobicContact CD1-CE1 4.17Å; L4-F60 HydrophobicContact CD1-CZ 4.49Å; L4-I83 HydrophobicContact CB-CD1 4.49Å; L4-I83 HydrophobicContact CD1-CD1 4.24Å; L4-E86 HydrophobicContact CB-CB 4.35Å; L4-E86 WeakPolarHBondContact CB-OE2 3.33Å; L4-E86 HydrophobicContact CD2-CB 4.2Å; L4-E86 PolarHBondContact N-OE2 3.22Å; L4-F87 HydrophobicContact CD1-CD1 4.42Å; L4-F87 HydrophobicContact CD1-CD2 4.21Å; L4-F87 HydrophobicContact CD1-CE1 3.84Å; L4-F87 HydrophobicContact CD1-CE2 3.58Å; L4-F87 HydrophobicContact CD1-CZ 3.37Å; L4-F87 HydrophobicContact CD2-CD1 4.01Å; L4-F87 HydrophobicContact CD2-CD2 4.35Å; L4-F87 HydrophobicContact CD2-CE1 4.17Å; L4-F87 HydrophobicContact CD2-CE2 4.49Å; L4-F87 HydrophobicContact CD2-CG 4.12Å; L4-F87 HydrophobicContact CD2-CZ 4.41Å; L4-E90 HydrophobicContact CD2-CB 4.24Å; L4-E90 HydrophobicContact CD2-CG 4.5Å
5S89.4Confident88.4Confident45 Ų4554.3 Ų54.332%0.31531%0.313SS..Hα-helixtrans-67.5-40.3-179.1-460000111.7G2 S3 N8 V9G2-S5 PolarHBondContact O-N 2.91Å; G2-S5 VanDerWaalsContact O-N 3.14Å; S3-S5 PolarHBondContact O-N 3.09Å; S5-N8 PolarHBondContact O-N 3Å; S5-V9 WeakPolarHBondContact O-CG2 3.42Å; S5-V9 PolarHBondContact O-N 2.76Å; S5-V9 VanDerWaalsContact O-N 3.1Å
6T90.7Very high88.9Confident61 Ų6156.6 Ų56.637%0.37432%0.319SS..Hα-helixtrans-63.2-49.6175.9-58.40000110.6G2 S3 N8 V9 E10G2-T6 PolarHBondContact O-N 2.94Å; S3-T6 PolarHBondContact O-N 3.44Å; T6-N8 VanDerWaalsContact C-N 3.29Å; T6-N8 PolarHBondContact O-N 2.62Å; T6-V9 PolarHBondContact O-N 3.19Å; T6-E10 PolarHBondContact O-N 3.04Å
7A92.1Very high89.4Confident0 Ų060.5 Ų60.50%033%0.331CS..Hα-helixtrans-57.2-42177.100000112.2S3 L4 V9 E10 F11 H59 F60S3-A7 PolarHBondContact O-N 3.2Å; L4-A7 PolarHBondContact O-N 2.98Å; A7-V9 VanDerWaalsContact C-N 3.34Å; A7-V9 PolarHBondContact O-N 2.89Å; A7-E10 PolarHBondContact O-N 3.36Å; A7-F11 VanDerWaalsContact O-CB 3.22Å; A7-F11 WeakPolarHBondContact O-CB 3.26Å; A7-F11 PolarHBondContact O-N 3.48Å; A7-H59 HydrophobicContact CB-CB 4.13Å; A7-F60 HydrophobicContact CB-CD1 3.99Å; A7-F60 HydrophobicContact CB-CE1 3.97Å
8N94.9Very high89.7Confident32 Ų3264 Ų6417%0.17135%0.345CS..Hα-helixtrans-63.4-37.3176.1-174.238000112.9L4 S5 T6 C12 S32 L33 L36L4-N8 WeakPolarHBondContact O-CB 3.42Å; L4-N8 PolarHBondContact O-N 3.02Å; S5-N8 PolarHBondContact O-N 3Å; T6-N8 VanDerWaalsContact C-N 3.29Å; T6-N8 PolarHBondContact O-N 2.62Å; N8-C12 WeakPolarHBondContact O-CB 3.3Å; N8-C12 PolarHBondContact O-N 2.85Å; N8-S32 PolarHBondContact O-OG 3.42Å; N8-S32 WeakPolarHBondContact OD1-CB 3.47Å; N8-S32 PolarHBondContact OD1-OG 3.09Å; N8-L33 PolarHBondContact OD1-N 3.44Å; N8-L36 HydrophobicContact CB-CD2 3.89Å
9V96Very high90Very high81 Ų8163.9 Ų63.949%0.49134%0.344SS..Hα-helixtrans-69-45.3177.1170.20000110.9S5 T6 A7 C12 L13S5-V9 WeakPolarHBondContact O-CG2 3.42Å; S5-V9 PolarHBondContact O-N 2.76Å; S5-V9 VanDerWaalsContact O-N 3.1Å; T6-V9 PolarHBondContact O-N 3.19Å; A7-V9 VanDerWaalsContact C-N 3.34Å; A7-V9 PolarHBondContact O-N 2.89Å; V9-C12 WeakPolarHBondContact O-CB 3.39Å; V9-C12 PolarHBondContact O-N 2.96Å; V9-L13 HydrophobicContact CG1-CD1 4.32Å; V9-L13 WeakPolarHBondContact O-CG 3.11Å; V9-L13 PolarHBondContact O-N 3.45Å
10E95.9Very high90.3Very high78 Ų7864.4 Ų64.436%0.36435%0.346SS..Hα-helixtrans-62.6-47.1178.2-69.1175.4165.600111T6 A7 C12 L13 D14 H59T6-E10 PolarHBondContact O-N 3.04Å; A7-E10 PolarHBondContact O-N 3.36Å; E10-C12 VanDerWaalsContact C-N 3.35Å; E10-C12 PolarHBondContact O-N 3.25Å; E10-L13 PolarHBondContact O-N 3.27Å; E10-D14 PolarHBondContact O-N 2.89Å; E10-H59 HydrophobicContact CB-CB 4.31Å; E10-H59 IonicContact OE2-CG 2.61Å; E10-H59 IonicContact OE2-ND1 3.63Å
11F96.6Very high90.4Very high10 Ų1065.1 Ų65.14%0.04436%0.357CS..Hα-helixtrans-58.7-43.7173.8179.5-113.5000112.3A7 L13 D14 V15 S32 L35 L36 L39 V57 L58 H59A7-F11 VanDerWaalsContact O-CB 3.22Å; A7-F11 WeakPolarHBondContact O-CB 3.26Å; A7-F11 PolarHBondContact O-N 3.48Å; F11-L13 VanDerWaalsContact C-N 3.32Å; F11-L13 PolarHBondContact O-N 3.47Å; F11-D14 PolarHBondContact O-N 2.97Å; F11-V15 HydrophobicContact CD1-CG2 4.3Å; F11-V15 HydrophobicContact CD2-CG2 4.09Å; F11-V15 HydrophobicContact CE1-CG2 3.88Å; F11-V15 HydrophobicContact CE2-CG2 3.64Å; F11-V15 HydrophobicContact CG-CG2 4.4Å; F11-V15 HydrophobicContact CZ-CG2 3.52Å; F11-V15 WeakPolarHBondContact O-CG2 3.3Å; F11-V15 PolarHBondContact O-N 3.41Å; F11-S32 WeakPolarHBondContact CD1-OG 3.46Å; F11-L35 HydrophobicContact CE1-CB 3.82Å; F11-L35 HydrophobicContact CZ-CB 4.28Å; F11-L36 HydrophobicContact CB-CD1 4.18Å; F11-L36 HydrophobicContact CD1-CD1 3.7Å; F11-L36 HydrophobicContact CE1-CD1 4.27Å; F11-L36 HydrophobicContact CG-CD1 3.96Å; F11-L39 HydrophobicContact CE2-CD1 4.35Å; F11-L39 HydrophobicContact CZ-CD1 3.8Å; F11-V57 HydrophobicContact CD2-CG1 4.43Å; F11-V57 WeakPolarHBondContact CD2-O 3.36Å; F11-V57 HydrophobicContact CE2-CG1 4.07Å; F11-L58 HydrophobicContact CD2-CD2 4.37Å; F11-L58 HydrophobicContact CE2-CD2 4.16Å; F11-L58 HydrophobicContact CZ-CD2 4.34Å; F11-H59 PolarHBondContact N-CD2 3.25Å
12C97.9Very high92.3Very high43 Ų4360.7 Ų60.729%0.29134%0.337SS..Hα-helixtrans-57-45.8176.5-176.20000111.8N8 V9 E10 D14 F16 S32N8-C12 WeakPolarHBondContact O-CB 3.3Å; N8-C12 PolarHBondContact O-N 2.85Å; V9-C12 WeakPolarHBondContact O-CB 3.39Å; V9-C12 PolarHBondContact O-N 2.96Å; E10-C12 VanDerWaalsContact C-N 3.35Å; E10-C12 PolarHBondContact O-N 3.25Å; C12-D14 VanDerWaalsContact C-N 3.34Å; C12-D14 PolarHBondContact O-N 2.88Å; C12-F16 VanDerWaalsContact O-CB 3.28Å; C12-F16 WeakPolarHBondContact O-CB 3.31Å; C12-F16 PolarHBondContact O-N 2.61Å; C12-S32 WeakPolarHBondContact CA-OG 3.36Å; C12-S32 WeakPolarHBondContact CB-OG 3.44Å; C12-S32 PolarHBondContact N-OG 3.07Å
13L97.6Very high93.5Very high93 Ų9361.6 Ų61.649%0.48733%0.332SS..Hα-helixtrans-65.9-37.8-180-68.9174000111.8V9 E10 F11 K17V9-L13 HydrophobicContact CG1-CD1 4.32Å; V9-L13 WeakPolarHBondContact O-CG 3.11Å; V9-L13 PolarHBondContact O-N 3.45Å; E10-L13 PolarHBondContact O-N 3.27Å; F11-L13 VanDerWaalsContact C-N 3.32Å; F11-L13 PolarHBondContact O-N 3.47Å; L13-K17 VanDerWaalsContact O-CG 3.26Å; L13-K17 WeakPolarHBondContact O-CG 3.39Å; L13-K17 PolarHBondContact O-N 3.19Å
14D97.3Very high94.1Very high65 Ų6567.5 Ų67.535%0.34836%0.36SS..Hα-helixtrans-70.3-44.5177.9-70.3-17.3000112E10 F11 C12 F16 K17 E18 H59E10-D14 PolarHBondContact O-N 2.89Å; F11-D14 PolarHBondContact O-N 2.97Å; C12-D14 VanDerWaalsContact C-N 3.34Å; C12-D14 PolarHBondContact O-N 2.88Å; D14-F16 VanDerWaalsContact C-N 3.32Å; D14-F16 PolarHBondContact O-N 3.17Å; D14-K17 PolarHBondContact O-N 3.12Å; D14-K17 IonicContact OD1-NZ 2.91Å; D14-K17 PolarHBondContact OD1-NZ 3.34Å; D14-E18 PolarHBondContact O-N 3.01Å; D14-E18 VanDerWaalsContact O-N 3.11Å; D14-H59 IonicContact OD2-CE1 3.63Å; D14-H59 PolarHBondContact OD2-CE1 3.38Å; D14-H59 VanDerWaalsContact OD2-CE1 3.27Å; D14-H59 IonicContact OD2-NE2 2.7Å; D14-H59 PolarHBondContact OD2-NE2 2.83Å
15V97.4Very high94.4Very high28 Ų2871 Ų7117%0.1740%0.398CS..Hα-helixtrans-59.5-43.8172.8172.70000110.8F11 K17 E18 L19 F30 L35F11-V15 HydrophobicContact CD1-CG2 4.3Å; F11-V15 HydrophobicContact CD2-CG2 4.09Å; F11-V15 HydrophobicContact CE1-CG2 3.88Å; F11-V15 HydrophobicContact CE2-CG2 3.64Å; F11-V15 HydrophobicContact CG-CG2 4.4Å; F11-V15 HydrophobicContact CZ-CG2 3.52Å; F11-V15 WeakPolarHBondContact O-CG2 3.3Å; F11-V15 PolarHBondContact O-N 3.41Å; V15-K17 PolarHBondContact O-N 2.83Å; V15-E18 PolarHBondContact O-N 3.21Å; V15-L19 HydrophobicContact CG1-CD1 3.8Å; V15-L19 HydrophobicContact CG1-CG 4.19Å; V15-L19 WeakPolarHBondContact O-CB 3.25Å; V15-L19 WeakPolarHBondContact O-CG 3.48Å; V15-L19 PolarHBondContact O-N 2.95Å; V15-F30 HydrophobicContact CB-CE2 4.01Å; V15-F30 HydrophobicContact CB-CZ 4.17Å; V15-F30 HydrophobicContact CG1-CD2 4.03Å; V15-F30 HydrophobicContact CG1-CE1 4.42Å; V15-F30 HydrophobicContact CG1-CE2 3.64Å; V15-F30 HydrophobicContact CG1-CZ 3.86Å; V15-L35 HydrophobicContact CG1-CD1 4.32Å
16F97.2Very high94.7Very high91 Ų9174.1 Ų74.140%0.39941%0.411SS..Hα-helixtrans-61.6-43.8178.6177.1-102.8000112.3C12 D14 E18 L19 N20 I28 F30C12-F16 VanDerWaalsContact O-CB 3.28Å; C12-F16 WeakPolarHBondContact O-CB 3.31Å; C12-F16 PolarHBondContact O-N 2.61Å; D14-F16 VanDerWaalsContact C-N 3.32Å; D14-F16 PolarHBondContact O-N 3.17Å; F16-E18 VanDerWaalsContact C-N 3.32Å; F16-E18 PolarHBondContact O-N 2.99Å; F16-L19 PolarHBondContact O-N 3.31Å; F16-N20 HydrophobicContact CE1-CB 4.42Å; F16-N20 HydrophobicContact CZ-CB 4.34Å; F16-N20 WeakPolarHBondContact O-CB 3.3Å; F16-N20 PolarHBondContact O-N 3.37Å; F16-I28 HydrophobicContact CD2-CG2 4.02Å; F16-I28 HydrophobicContact CE2-CB 4.34Å; F16-I28 HydrophobicContact CE2-CD1 4.09Å; F16-I28 HydrophobicContact CE2-CG2 4.19Å; F16-F30 HydrophobicContact CB-CE1 4.15Å; F16-F30 HydrophobicContact CB-CZ 4.03Å; F16-F30 HydrophobicContact CD2-CE1 4.26Å
17K96.3Very high95Very high123 Ų12379.4 Ų79.454%0.53544%0.437SS..Hα-helixtrans-59.9-43176.7-73.3166.6-167.2159.90111.7L13 D14 V15 S21L13-K17 VanDerWaalsContact O-CG 3.26Å; L13-K17 WeakPolarHBondContact O-CG 3.39Å; L13-K17 PolarHBondContact O-N 3.19Å; D14-K17 PolarHBondContact O-N 3.12Å; D14-K17 IonicContact OD1-NZ 2.91Å; D14-K17 PolarHBondContact OD1-NZ 3.34Å; V15-K17 PolarHBondContact O-N 2.83Å; K17-S21 PolarHBondContact O-N 2.86Å; K17-S21 VanDerWaalsContact O-N 3.12Å; K17-S21 PolarHBondContact O-OG 2.97Å
18E95.8Very high95.2Very high123 Ų12381.7 Ų81.758%0.57545%0.449SS*.Hα-helixtrans-66.8-45.1179.1-172.855.5-139.200111.6D14 V15 F16 S21 N22D14-E18 PolarHBondContact O-N 3.01Å; D14-E18 VanDerWaalsContact O-N 3.11Å; V15-E18 PolarHBondContact O-N 3.21Å; F16-E18 VanDerWaalsContact C-N 3.32Å; F16-E18 PolarHBondContact O-N 2.99Å; E18-S21 PolarHBondContact O-N 3.2Å; E18-N22 PolarHBondContact O-ND2 2.86Å; E18-N22 PolarHBondContact OE1-ND2 2.94Å; E18-N22 VanDerWaalsContact OE1-ND2 3.15Å
19L95.6Very high95.3Very high62 Ų6289.8 Ų89.833%0.32548%0.483SS..Hα-helixtrans-63.7-44.3176.2-69.4177.2000111.7V15 F16 S21 N22 N23 I28 F30V15-L19 HydrophobicContact CG1-CD1 3.8Å; V15-L19 HydrophobicContact CG1-CG 4.19Å; V15-L19 WeakPolarHBondContact O-CB 3.25Å; V15-L19 WeakPolarHBondContact O-CG 3.48Å; V15-L19 PolarHBondContact O-N 2.95Å; F16-L19 PolarHBondContact O-N 3.31Å; L19-S21 VanDerWaalsContact C-N 3.29Å; L19-S21 PolarHBondContact O-N 3.35Å; L19-N22 PolarHBondContact O-N 3.37Å; L19-N22 VanDerWaalsContact O-N 3.11Å; L19-N23 WeakPolarHBondContact O-CB 3.27Å; L19-N23 PolarHBondContact O-N 3.16Å; L19-N23 VanDerWaalsContact O-N 3.1Å; L19-N23 PolarHBondContact O-ND2 3.39Å; L19-I28 HydrophobicContact CB-CD1 4.43Å; L19-I28 HydrophobicContact CB-CG2 4.34Å; L19-I28 HydrophobicContact CD1-CG2 4.15Å; L19-F30 HydrophobicContact CD1-CD1 3.74Å; L19-F30 HydrophobicContact CD1-CE1 4Å; L19-F30 HydrophobicContact CD1-CG 4.25Å
20N94.4Very high95.3Very high74 Ų7488.4 Ų88.440%0.39647%0.47SS..Hα-helixtrans-65.6-32.3-177.7-174.768.7000113F16 N22 N23 I28F16-N20 HydrophobicContact CE1-CB 4.42Å; F16-N20 HydrophobicContact CZ-CB 4.34Å; F16-N20 WeakPolarHBondContact O-CB 3.3Å; F16-N20 PolarHBondContact O-N 3.37Å; N20-N22 PolarHBondContact O-N 2.9Å; N20-N23 PolarHBondContact O-N 3.17Å; N20-I28 HydrophobicContact CB-CD1 3.85Å
21S93.7Very high95.3Very high80 Ų8087.9 Ų87.956%0.55948%0.476SS*.Hα-helixtrans-64.7-25176.3-58.70000112.6K17 E18 L19K17-S21 PolarHBondContact O-N 2.86Å; K17-S21 VanDerWaalsContact O-N 3.12Å; K17-S21 PolarHBondContact O-OG 2.97Å; E18-S21 PolarHBondContact O-N 3.2Å; L19-S21 VanDerWaalsContact C-N 3.29Å; L19-S21 PolarHBondContact O-N 3.35Å
22N90.1Very high95.4Very high113 Ų11387.9 Ų87.960%0.60448%0.477SS*.Hα-helixtrans-105.8-9.3-176.1-66-58.1000114.1E18 L19 N20E18-N22 PolarHBondContact O-ND2 2.86Å; E18-N22 PolarHBondContact OE1-ND2 2.94Å; E18-N22 VanDerWaalsContact OE1-ND2 3.15Å; L19-N22 PolarHBondContact O-N 3.37Å; L19-N22 VanDerWaalsContact O-N 3.11Å; N20-N22 PolarHBondContact O-N 2.9Å
23N90.6Very high95.2Very high61 Ų6187.7 Ų87.733%0.32647%0.473SS..  trans-132.347.2-171.8-62.1-84.9000111.6L19 N20 G25 D26 I28L19-N23 WeakPolarHBondContact O-CB 3.27Å; L19-N23 PolarHBondContact O-N 3.16Å; L19-N23 VanDerWaalsContact O-N 3.1Å; L19-N23 PolarHBondContact O-ND2 3.39Å; N20-N23 PolarHBondContact O-N 3.17Å; N23-G25 PolarHBondContact O-N 3.49Å; N23-D26 HydrophobicContact CB-CB 4.27Å; N23-D26 PolarHBondContact O-N 2.85Å; N23-I28 HydrophobicContact CB-CD1 4.46Å; N23-I28 HydrophobicContact CB-CG1 4.46Å
24I90.9Very high95.2Very high147 Ų14784.6 Ų84.675%0.75446%0.459SS*.THydrogen-bonded Turntrans-63.9118.6-175.3-58.6174.7000110.3
25G91.7Very high95.2Very high81 Ų8184.9 Ų84.984%0.83546%0.46SS*.THydrogen-bonded Turntrans90.6-2.817800000114.6N23N23-G25 PolarHBondContact O-N 3.49Å
26D96.4Very high95.1Very high110 Ų11083.5 Ų83.559%0.58845%0.452SS*.SBendtrans-95.9162.2176.5-67.2-40.4000112.3N23N23-D26 HydrophobicContact CB-CB 4.27Å; N23-D26 PolarHBondContact O-N 2.85Å
27N96.7Very high95Very high173 Ų17379.2 Ų79.293%0.92543%0.433SS*.  trans-73.8131.8172.8-68-41.8000110.5
28I96.9Very high95Very high47 Ų4774.5 Ų74.524%0.24142%0.417CS..  trans-113.9122.5175.3-62.1170.7000109F16 L19 N20 N23 F30F16-I28 HydrophobicContact CD2-CG2 4.02Å; F16-I28 HydrophobicContact CE2-CB 4.34Å; F16-I28 HydrophobicContact CE2-CD1 4.09Å; F16-I28 HydrophobicContact CE2-CG2 4.19Å; L19-I28 HydrophobicContact CB-CD1 4.43Å; L19-I28 HydrophobicContact CB-CG2 4.34Å; L19-I28 HydrophobicContact CD1-CG2 4.15Å; N20-I28 HydrophobicContact CB-CD1 3.85Å; N23-I28 HydrophobicContact CB-CD1 4.46Å; N23-I28 HydrophobicContact CB-CG1 4.46Å; I28-F30 HydrophobicContact CG2-CD1 3.93Å; I28-F30 HydrophobicContact CG2-CE1 4.05Å
29F95.9Very high95.1Very high202 Ų20271.5 Ų71.589%0.88640%0.404SS*.  trans-144.2126.9175.4-178.7-99.4000110
30F96.4Very high95.1Very high52 Ų5268.5 Ų68.523%0.22839%0.389CS..  trans-156.1161.217765.1-82.1000110.7V15 F16 L19 I28 L35V15-F30 HydrophobicContact CB-CE2 4.01Å; V15-F30 HydrophobicContact CB-CZ 4.17Å; V15-F30 HydrophobicContact CG1-CD2 4.03Å; V15-F30 HydrophobicContact CG1-CE1 4.42Å; V15-F30 HydrophobicContact CG1-CE2 3.64Å; V15-F30 HydrophobicContact CG1-CZ 3.86Å; F16-F30 HydrophobicContact CB-CE1 4.15Å; F16-F30 HydrophobicContact CB-CZ 4.03Å; F16-F30 HydrophobicContact CD2-CE1 4.26Å; L19-F30 HydrophobicContact CD1-CD1 3.74Å; L19-F30 HydrophobicContact CD1-CE1 4Å; L19-F30 HydrophobicContact CD1-CG 4.25Å; I28-F30 HydrophobicContact CG2-CD1 3.93Å; I28-F30 HydrophobicContact CG2-CE1 4.05Å; F30-L35 HydrophobicContact CD2-CD1 4.17Å
31S96.9Very high95.2Very high68 Ų6865 Ų6548%0.47637%0.37SS..  trans-102.7102.1171.9176.80000109.7L33 S34 L35S31-L33 PolarHBondContact O-N 3.24Å; S31-S34 WeakPolarHBondContact O-CB 2.97Å; S31-S34 PolarHBondContact O-N 3.39Å; S31-S34 WeakPolarHBondContact OG-CB 3.33Å; S31-S34 PolarHBondContact OG-N 3.48Å; S31-L35 PolarHBondContact O-N 3.03Å
32S97Very high95.3Very high10 Ų1064 Ų647%0.0736%0.36CS..Hα-helixtrans-56.7-41.5175.8-177.70000111.7N8 F11 C12 S34 L35 L36N8-S32 PolarHBondContact O-OG 3.42Å; N8-S32 WeakPolarHBondContact OD1-CB 3.47Å; N8-S32 PolarHBondContact OD1-OG 3.09Å; F11-S32 WeakPolarHBondContact CD1-OG 3.46Å; C12-S32 WeakPolarHBondContact CA-OG 3.36Å; C12-S32 WeakPolarHBondContact CB-OG 3.44Å; C12-S32 PolarHBondContact N-OG 3.07Å; S32-S34 VanDerWaalsContact C-N 3.34Å; S32-S34 PolarHBondContact O-N 2.88Å; S32-L35 PolarHBondContact O-N 3.5Å; S32-L36 WeakPolarHBondContact O-CB 3.15Å; S32-L36 PolarHBondContact O-N 3.2Å
33L95.4Very high95.5Very high38 Ų3858.8 Ų58.820%0.19933%0.333CS..Hα-helixtrans-63-41.6-179.7-17361.3000111.5N8 S31 L35 L36 Y37 I94N8-L33 PolarHBondContact OD1-N 3.44Å; S31-L33 PolarHBondContact O-N 3.24Å; L33-L35 PolarHBondContact O-N 3.28Å; L33-L36 WeakPolarHBondContact O-CB 3.43Å; L33-L36 PolarHBondContact O-N 3.11Å; L33-Y37 HydrophobicContact CD1-CD2 3.94Å; L33-Y37 HydrophobicContact CD1-CE2 3.75Å; L33-Y37 HydrophobicContact CD2-CE2 4.35Å; L33-Y37 HydrophobicContact CG-CD2 3.94Å; L33-Y37 HydrophobicContact CG-CE2 3.87Å; L33-Y37 WeakPolarHBondContact O-CD2 3.5Å; L33-Y37 PolarHBondContact O-N 3.47Å; L33-I94 HydrophobicContact CD2-CD1 3.68Å
34S96.3Very high95.7Very high28 Ų2856.2 Ų56.220%0.19632%0.319CS..Hα-helixtrans-59.6-47.5177.8177.70000112.2S31 S32 L36 Y37 A38 N180S31-S34 WeakPolarHBondContact O-CB 2.97Å; S31-S34 PolarHBondContact O-N 3.39Å; S31-S34 WeakPolarHBondContact OG-CB 3.33Å; S31-S34 PolarHBondContact OG-N 3.48Å; S32-S34 VanDerWaalsContact C-N 3.34Å; S32-S34 PolarHBondContact O-N 2.88Å; S34-L36 VanDerWaalsContact C-N 3.32Å; S34-L36 PolarHBondContact O-N 3.43Å; S34-Y37 PolarHBondContact O-N 3.03Å; S34-A38 PolarHBondContact O-N 3.36Å; S34-A38 VanDerWaalsContact O-N 3.08Å; S34-N180 WeakPolarHBondContact CA-OD1 3.41Å; S34-N180 WeakPolarHBondContact CB-OD1 3.48Å; S34-N180 PolarHBondContact OG-OD1 3.02Å
35L96.8Very high95.7Very high71 Ų7151.4 Ų51.437%0.37231%0.306SS..Hα-helixtrans-60.6-43175.3-67.9175.7000111.3F11 V15 F30 S31 S32 L33 Y37 A38 L39F11-L35 HydrophobicContact CE1-CB 3.82Å; F11-L35 HydrophobicContact CZ-CB 4.28Å; V15-L35 HydrophobicContact CG1-CD1 4.32Å; F30-L35 HydrophobicContact CD2-CD1 4.17Å; S31-L35 PolarHBondContact O-N 3.03Å; S32-L35 PolarHBondContact O-N 3.5Å; L33-L35 PolarHBondContact O-N 3.28Å; L35-Y37 PolarHBondContact O-N 3.1Å; L35-A38 PolarHBondContact O-N 2.92Å; L35-L39 WeakPolarHBondContact O-CB 3.32Å; L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 3.18Å
36L95.1Very high95.8Very high0 Ų048 Ų480%027%0.269CS..Hα-helixtrans-61.2-43.8178.9-157.780.1000111.6L4 N8 F11 S32 L33 S34 S40 L58 F60 F87L4-L36 HydrophobicContact CD1-CD2 3.69Å; N8-L36 HydrophobicContact CB-CD2 3.89Å; F11-L36 HydrophobicContact CB-CD1 4.18Å; F11-L36 HydrophobicContact CD1-CD1 3.7Å; F11-L36 HydrophobicContact CE1-CD1 4.27Å; F11-L36 HydrophobicContact CG-CD1 3.96Å; S32-L36 WeakPolarHBondContact O-CB 3.15Å; S32-L36 PolarHBondContact O-N 3.2Å; L33-L36 WeakPolarHBondContact O-CB 3.43Å; L33-L36 PolarHBondContact O-N 3.11Å; S34-L36 VanDerWaalsContact C-N 3.32Å; S34-L36 PolarHBondContact O-N 3.43Å; L36-S40 WeakPolarHBondContact O-CB 3.47Å; L36-S40 PolarHBondContact O-N 2.79Å; L36-S40 PolarHBondContact O-OG 2.81Å; L36-L58 HydrophobicContact CD1-CB 4.3Å; L36-L58 HydrophobicContact CD1-CD2 3.62Å; L36-F60 HydrophobicContact CD1-CE1 4.44Å; L36-F60 HydrophobicContact CD1-CZ 4.23Å; L36-F60 HydrophobicContact CD2-CZ 4.45Å; L36-F60 HydrophobicContact CG-CZ 4.24Å; L36-F87 HydrophobicContact CD2-CE1 4.02Å; L36-F87 HydrophobicContact CD2-CZ 3.76Å; L36-F87 HydrophobicContact CG-CE1 4.24Å; L36-F87 HydrophobicContact CG-CZ 3.88Å
37Y96.3Very high95.5Very high0 Ų048.4 Ų48.40%026%0.263CS..Hα-helixtrans-60-49174.3-94.6-96.8000111.9L33 S34 L35 S40 M41 F87 F91 I105 N107 Y129L33-Y37 HydrophobicContact CD1-CD2 3.94Å; L33-Y37 HydrophobicContact CD1-CE2 3.75Å; L33-Y37 HydrophobicContact CD2-CE2 4.35Å; L33-Y37 HydrophobicContact CG-CD2 3.94Å; L33-Y37 HydrophobicContact CG-CE2 3.87Å; L33-Y37 WeakPolarHBondContact O-CD2 3.5Å; L33-Y37 PolarHBondContact O-N 3.47Å; S34-Y37 PolarHBondContact O-N 3.03Å; L35-Y37 PolarHBondContact O-N 3.1Å; Y37-S40 PolarHBondContact O-N 2.84Å; Y37-M41 WeakPolarHBondContact O-CG 3.22Å; Y37-M41 PolarHBondContact O-N 3.09Å; Y37-M41 VanDerWaalsContact O-N 3.11Å; Y37-F87 AromaticContact CD1-CD1 3.96Å; Y37-F87 HydrophobicContact CD1-CD1 3.96Å; Y37-F87 AromaticContact CD2-CD1 3.81Å; Y37-F87 HydrophobicContact CD2-CD1 3.81Å; Y37-F87 AromaticContact CD2-CE1 3.83Å; Y37-F87 HydrophobicContact CD2-CE1 3.83Å; Y37-F87 HydrophobicContact CE1-CB 4.26Å; Y37-F87 AromaticContact CE1-CD1 3.77Å; Y37-F87 HydrophobicContact CE1-CD1 3.77Å; Y37-F87 HydrophobicContact CE1-CG 4.5Å; Y37-F87 AromaticContact CE2-CD1 3.65Å; Y37-F87 HydrophobicContact CE2-CD1 3.65Å; Y37-F87 HydrophobicContact CE2-CE1 4.02Å; Y37-F87 AromaticContact CG-CD1 3.97Å; Y37-F87 HydrophobicContact CG-CD1 3.97Å; Y37-F87 HydrophobicContact CG-CE1 4.12Å; Y37-F87 AromaticContact CZ-CD1 3.62Å; Y37-F87 PolarHBondContact OH-O 3.12Å; Y37-F87 VanDerWaalsContact OH-O 3.1Å; Y37-F91 HydrophobicContact CE1-CB 4.28Å; Y37-F91 HydrophobicContact CE1-CD2 4.09Å; Y37-F91 WeakPolarHBondContact OH-CA 3.28Å; Y37-F91 PolarHBondContact OH-N 3.03Å; Y37-I105 HydrophobicContact CD1-CD1 4.25Å; Y37-I105 HydrophobicContact CD2-CD1 3.58Å; Y37-I105 HydrophobicContact CE1-CD1 4.3Å; Y37-I105 HydrophobicContact CE2-CD1 3.58Å; Y37-I105 HydrophobicContact CG-CD1 3.92Å; Y37-N107 WeakPolarHBondContact CD1-ND2 3.33Å; Y37-Y129 AromaticContact CD1-CD1 3.65Å; Y37-Y129 HydrophobicContact CD1-CD1 3.65Å; Y37-Y129 HydrophobicContact CD1-CE1 4.07Å; Y37-Y129 HydrophobicContact CE1-CD1 4Å; Y37-Y129 HydrophobicContact CE1-CE1 4.42Å
38A96.8Very high95.2Very high24 Ų2442 Ų4220%0.19824%0.238CC..Hα-helixtrans-60.9-48.6-179.300000112S34 L35 S40 M41 V42 N180S34-A38 PolarHBondContact O-N 3.36Å; S34-A38 VanDerWaalsContact O-N 3.08Å; L35-A38 PolarHBondContact O-N 2.92Å; A38-S40 VanDerWaalsContact C-N 3.35Å; A38-S40 PolarHBondContact O-N 3.15Å; A38-M41 PolarHBondContact O-N 3.17Å; A38-V42 PolarHBondContact O-N 3.36Å; A38-N180 HydrophobicContact CB-CB 4.42Å
39L97.1Very high95Very high60 Ų6047 Ų4731%0.31426%0.26SS..Hα-helixtrans-69.4-31.9179.7-68.2171.9000112.5F11 L35 M41 V42 L43 L58F11-L39 HydrophobicContact CE2-CD1 4.35Å; F11-L39 HydrophobicContact CZ-CD1 3.8Å; L35-L39 WeakPolarHBondContact O-CB 3.32Å; L35-L39 WeakPolarHBondContact O-CG 3.49Å; L35-L39 PolarHBondContact O-N 3.18Å; L39-M41 VanDerWaalsContact C-N 3.32Å; L39-M41 PolarHBondContact O-N 2.8Å; L39-V42 WeakPolarHBondContact O-CA 3.45Å; L39-V42 WeakPolarHBondContact O-CB 3.48Å; L39-V42 PolarHBondContact O-N 2.86Å; L39-V42 VanDerWaalsContact O-N 3.08Å; L39-L43 PolarHBondContact O-N 2.9Å; L39-L58 HydrophobicContact CB-CD1 4.11Å; L39-L58 HydrophobicContact CB-CD2 3.77Å; L39-L58 HydrophobicContact CD1-CD2 3.83Å; L39-L58 HydrophobicContact CG-CD2 4.47Å
40S95.3Very high95Very high0 Ų041.2 Ų41.20%024%0.242CC..Hα-helixtrans-71-28.8176.4-57.20000112.6L36 Y37 A38 V42 L43 L44 F60 H84 F87 Y129L36-S40 WeakPolarHBondContact O-CB 3.47Å; L36-S40 PolarHBondContact O-N 2.79Å; L36-S40 PolarHBondContact O-OG 2.81Å; Y37-S40 PolarHBondContact O-N 2.84Å; A38-S40 VanDerWaalsContact C-N 3.35Å; A38-S40 PolarHBondContact O-N 3.15Å; S40-V42 VanDerWaalsContact C-N 3.27Å; S40-L43 PolarHBondContact O-N 3.13Å; S40-L44 PolarHBondContact O-N 2.93Å; S40-F60 WeakPolarHBondContact OG-CE2 3.32Å; S40-F60 WeakPolarHBondContact OG-CZ 3.45Å; S40-H84 PolarHBondContact O-CE1 2.84Å; S40-H84 VanDerWaalsContact O-CE1 3.28Å; S40-F87 WeakPolarHBondContact OG-CE2 3.49Å; S40-F87 WeakPolarHBondContact OG-CZ 3.34Å; S40-Y129 WeakPolarHBondContact CB-OH 3.27Å
41M96.3Very high94.7Very high0 Ų040.9 Ų40.90%024%0.241CC..Hα-helixtrans-68.9-26.3169-69.6-173.5-71.500112.6Y37 A38 L39 N107 L109 Y121 Y129 A131 L178Y37-M41 WeakPolarHBondContact O-CG 3.22Å; Y37-M41 PolarHBondContact O-N 3.09Å; Y37-M41 VanDerWaalsContact O-N 3.11Å; A38-M41 PolarHBondContact O-N 3.17Å; L39-M41 VanDerWaalsContact C-N 3.32Å; L39-M41 PolarHBondContact O-N 2.8Å; M41-N107 HydrophobicContact CE-CB 4.08Å; M41-N107 HydrophobicContact SD-CB 4.03Å; M41-L109 HydrophobicContact SD-CD2 4.05Å; M41-Y121 WeakPolarHBondContact O-CE2 3.33Å; M41-Y121 PolarHBondContact O-OH 3.03Å; M41-Y129 HydrophobicContact CG-CD1 3.85Å; M41-Y129 HydrophobicContact CG-CD2 3.66Å; M41-Y129 HydrophobicContact CG-CE1 4.26Å; M41-Y129 HydrophobicContact CG-CE2 4.1Å; M41-Y129 HydrophobicContact CG-CG 3.52Å; M41-Y129 HydrophobicContact SD-CG 4.11Å; M41-A131 HydrophobicContact SD-CB 3.41Å; M41-A131 WeakPolarHBondContact SD-CB 3.32Å; M41-L178 HydrophobicContact CB-CD2 3.45Å; M41-L178 VanDerWaalsContact CB-CD2 3.45Å; M41-L178 HydrophobicContact CE-CB 4.33Å; M41-L178 HydrophobicContact CE-CD2 4.46Å
42V96.6Very high94.4Very high59 Ų5943.9 Ų43.936%0.35825%0.247SC..Hα-helixtrans-73.4-48.1170.2-178.50000109.9A38 L39 S40 L44 G45 A46 L54 L178A38-V42 PolarHBondContact O-N 3.36Å; L39-V42 WeakPolarHBondContact O-CA 3.45Å; L39-V42 WeakPolarHBondContact O-CB 3.48Å; L39-V42 PolarHBondContact O-N 2.86Å; L39-V42 VanDerWaalsContact O-N 3.08Å; S40-V42 VanDerWaalsContact C-N 3.27Å; V42-L44 PolarHBondContact O-N 2.97Å; V42-G45 PolarHBondContact O-N 3.36Å; V42-A46 PolarHBondContact O-N 3.41Å; V42-A46 VanDerWaalsContact O-N 3.11Å; V42-L54 HydrophobicContact CB-CD1 4.44Å; V42-L54 HydrophobicContact CG1-CD1 3.93Å; V42-L178 HydrophobicContact CG2-CD1 4.14Å; V42-L178 HydrophobicContact CG2-CD2 4.02Å
43L94.5Very high94.3Very high4 Ų449.6 Ų49.62%0.02127%0.273CS..Hα-helixtrans-53.1-41.1177175.362.7000112L39 S40 G45 A46 E51 L54 E55 L58 F60L39-L43 PolarHBondContact O-N 2.9Å; S40-L43 PolarHBondContact O-N 3.13Å; L43-G45 PolarHBondContact O-N 3.37Å; L43-A46 PolarHBondContact O-N 3.05Å; L43-E51 HydrophobicContact CD1-CB 4.4Å; L43-E51 HydrophobicContact CD1-CG 3.84Å; L43-L54 HydrophobicContact CB-CB 4.38Å; L43-L54 HydrophobicContact CB-CD1 4.22Å; L43-L54 HydrophobicContact CD1-CB 3.88Å; L43-L54 HydrophobicContact CD1-CD1 4.49Å; L43-E55 HydrophobicContact CD1-CG 3.75Å; L43-E55 HydrophobicContact CD2-CG 4.09Å; L43-L58 HydrophobicContact CD2-CD1 4.28Å; L43-F60 HydrophobicContact CD2-CD2 3.51Å; L43-F60 HydrophobicContact CD2-CE2 3.78Å
44L93.7Very high94.2Very high7 Ų749.2 Ų49.24%0.03727%0.271CS..THydrogen-bonded Turntrans-50.7-35.1177.417862.3000113.3S40 V42 R47 A80 Y121 C124 Y129S40-L44 PolarHBondContact O-N 2.93Å; V42-L44 PolarHBondContact O-N 2.97Å; L44-R47 PolarHBondContact O-NH1 3.25Å; L44-A80 HydrophobicContact CD1-CB 3.32Å; L44-Y121 HydrophobicContact CB-CD2 4.4Å; L44-Y121 HydrophobicContact CB-CE2 4Å; L44-Y121 HydrophobicContact CD2-CD2 4.07Å; L44-Y121 HydrophobicContact CD2-CE2 3.95Å; L44-Y121 HydrophobicContact CG-CD2 3.88Å; L44-Y121 HydrophobicContact CG-CE2 3.91Å; L44-C124 HydrophobicContact CD1-CB 3.97Å; L44-C124 HydrophobicContact CD2-CB 4.03Å; L44-C124 HydrophobicContact CG-CB 4.5Å; L44-Y129 HydrophobicContact CD2-CD2 4.4Å; L44-Y129 HydrophobicContact CD2-CE2 4.26Å
45G92.6Very high94Very high46 Ų4650.5 Ų50.547%0.47427%0.274SS..THydrogen-bonded Turntrans-100-8.9178.700000115V42 L43V42-G45 PolarHBondContact O-N 3.36Å; L43-G45 PolarHBondContact O-N 3.37Å
46A92.8Very high93.8Very high9 Ų954.3 Ų54.37%0.07429%0.287CS..  trans-77.8150.9-178.200000111.6V42 L43 T50 E51 L54V42-A46 PolarHBondContact O-N 3.41Å; V42-A46 VanDerWaalsContact O-N 3.11Å; L43-A46 PolarHBondContact O-N 3.05Å; A46-T50 HydrophobicContact CB-CG2 3.92Å; A46-E51 HydrophobicContact CB-CB 4.18Å; A46-L54 HydrophobicContact CB-CD1 3.88Å
47R89.8Confident93.8Very high118 Ų11858.4 Ų58.445%0.44531%0.312SS..  trans-141.7155.8174.9-65.4-63.9-179-90.90.4110.5L44 E51L44-R47 PolarHBondContact O-NH1 3.25Å; R47-E51 WeakPolarHBondContact CA-OE2 3.38Å
48G90.3Very high93.7Very high40 Ų4058.4 Ų58.441%0.41231%0.312SS..THydrogen-bonded Turntrans64.5-138.3174.900000111.9T50 E51 E52G48-T50 PolarHBondContact O-N 2.78Å; G48-T50 VanDerWaalsContact O-N 3.15Å; G48-E51 WeakPolarHBondContact O-CB 3.17Å; G48-E51 PolarHBondContact O-N 3.25Å; G48-E52 PolarHBondContact O-N 3.36Å
49E93.6Very high93.5Very high151 Ų15158.9 Ų58.971%0.70631%0.31SS*.Hα-helixtrans-56.9-34.6-176.4-63-177.8170.900113.4E52 Q53E49-E52 PolarHBondContact O-N 3.44Å; E49-Q53 WeakPolarHBondContact O-CB 3.27Å; E49-Q53 VanDerWaalsContact O-CG 3.27Å; E49-Q53 WeakPolarHBondContact O-CG 3.47Å; E49-Q53 PolarHBondContact O-N 3.44Å
50T94.8Very high93Very high81 Ų8156 Ų5650%0.49730%0.295SS..Hα-helixtrans-65.7-39.8177.3-52.40000111.9A46 G48 L54A46-T50 HydrophobicContact CB-CG2 3.92Å; G48-T50 PolarHBondContact O-N 2.78Å; G48-T50 VanDerWaalsContact O-N 3.15Å; T50-L54 HydrophobicContact CG2-CD1 4.26Å; T50-L54 WeakPolarHBondContact O-CB 3.36Å; T50-L54 WeakPolarHBondContact O-CG 3.16Å; T50-L54 PolarHBondContact O-N 3.47Å
51E91.5Very high92.1Very high44 Ų4458.3 Ų58.321%0.20631%0.311CS..Hα-helixtrans-65.2-49.7176.2-179.3174.7-15300109.9L43 A46 R47 G48 Q53 L54 E55L43-E51 HydrophobicContact CD1-CB 4.4Å; L43-E51 HydrophobicContact CD1-CG 3.84Å; A46-E51 HydrophobicContact CB-CB 4.18Å; R47-E51 WeakPolarHBondContact CA-OE2 3.38Å; G48-E51 WeakPolarHBondContact O-CB 3.17Å; G48-E51 PolarHBondContact O-N 3.25Å; E51-Q53 VanDerWaalsContact C-N 3.35Å; E51-Q53 PolarHBondContact O-N 3.29Å; E51-L54 PolarHBondContact O-N 3.3Å; E51-L54 VanDerWaalsContact O-N 3.16Å; E51-E55 WeakPolarHBondContact O-CG 3.23Å; E51-E55 PolarHBondContact O-N 3.3Å
52E89.9Confident90.6Very high131 Ų13164.7 Ų64.761%0.61234%0.341SS*.Hα-helixtrans-59-42.3179.9-67.2176.4-17200112.9G48 E49 K56G48-E52 PolarHBondContact O-N 3.36Å; E49-E52 PolarHBondContact O-N 3.44Å; E52-K56 WeakPolarHBondContact O-CB 3.28Å; E52-K56 PolarHBondContact O-N 2.79Å
53Q94.8Very high88.7Confident131 Ų13162.5 Ų62.561%0.61233%0.328SS*.Hα-helixtrans-65-43.1177.3-73.8176.78.600111.8E49 E51 K56 V57E49-Q53 WeakPolarHBondContact O-CB 3.27Å; E49-Q53 VanDerWaalsContact O-CG 3.27Å; E49-Q53 WeakPolarHBondContact O-CG 3.47Å; E49-Q53 PolarHBondContact O-N 3.44Å; E51-Q53 VanDerWaalsContact C-N 3.35Å; E51-Q53 PolarHBondContact O-N 3.29Å; Q53-K56 PolarHBondContact O-N 3.11Å; Q53-V57 WeakPolarHBondContact O-CG2 3.39Å; Q53-V57 PolarHBondContact O-N 3.02Å
54L94.1Very high86.8Confident30 Ų3065.7 Ų65.716%0.15735%0.347CS..Hα-helixtrans-66.1-46.2177.5-75170.8000111.3V42 L43 A46 T50 E51 K56 V57 L58V42-L54 HydrophobicContact CB-CD1 4.44Å; V42-L54 HydrophobicContact CG1-CD1 3.93Å; L43-L54 HydrophobicContact CB-CB 4.38Å; L43-L54 HydrophobicContact CB-CD1 4.22Å; L43-L54 HydrophobicContact CD1-CB 3.88Å; L43-L54 HydrophobicContact CD1-CD1 4.49Å; A46-L54 HydrophobicContact CB-CD1 3.88Å; T50-L54 HydrophobicContact CG2-CD1 4.26Å; T50-L54 WeakPolarHBondContact O-CB 3.36Å; T50-L54 WeakPolarHBondContact O-CG 3.16Å; T50-L54 PolarHBondContact O-N 3.47Å; E51-L54 PolarHBondContact O-N 3.3Å; E51-L54 VanDerWaalsContact O-N 3.16Å; L54-K56 VanDerWaalsContact C-N 3.26Å; L54-K56 PolarHBondContact O-N 2.91Å; L54-V57 PolarHBondContact O-N 3.4Å; L54-L58 HydrophobicContact CB-CD1 4.42Å; L54-L58 VanDerWaalsContact O-CB 3.26Å; L54-L58 WeakPolarHBondContact O-CB 3.45Å; L54-L58 WeakPolarHBondContact O-CD1 3.18Å; L54-L58 WeakPolarHBondContact O-CG 3.35Å; L54-L58 PolarHBondContact O-N 2.93Å
55E91.7Very high84.7Confident54 Ų5472.4 Ų72.425%0.25238%0.383SS..Hα-helixtrans-59.1-39.2177.5-73.1-168.8144.600112.3L43 E51 H59 F60 S61L43-E55 HydrophobicContact CD1-CG 3.75Å; L43-E55 HydrophobicContact CD2-CG 4.09Å; E51-E55 WeakPolarHBondContact O-CG 3.23Å; E51-E55 PolarHBondContact O-N 3.3Å; E55-H59 PolarHBondContact O-N 3.08Å; E55-F60 HydrophobicContact CB-CB 4.47Å; E55-F60 PolarHBondContact O-N 3.32Å; E55-S61 PolarHBondContact O-N 3.23Å
56K92.6Very high82.5Confident152 Ų15274.4 Ų74.466%0.66139%0.39SS*.Hα-helixtrans-66.6-49.6177.1-177.9178178.5-179.20112E52 Q53 L54 L58 H59E52-K56 WeakPolarHBondContact O-CB 3.28Å; E52-K56 PolarHBondContact O-N 2.79Å; Q53-K56 PolarHBondContact O-N 3.11Å; L54-K56 VanDerWaalsContact C-N 3.26Å; L54-K56 PolarHBondContact O-N 2.91Å; K56-L58 VanDerWaalsContact C-N 3.32Å; K56-L58 PolarHBondContact O-N 3.39Å; K56-H59 PolarHBondContact O-N 3.32Å
57V95.3Very high80.5Confident85 Ų8575 Ų7552%0.51539%0.391SS..Hα-helixtrans-66.7-35.4-178.3170.40000111.6F11 Q53 L54 H59F11-V57 HydrophobicContact CD2-CG1 4.43Å; F11-V57 WeakPolarHBondContact CD2-O 3.36Å; F11-V57 HydrophobicContact CE2-CG1 4.07Å; Q53-V57 WeakPolarHBondContact O-CG2 3.39Å; Q53-V57 PolarHBondContact O-N 3.02Å; L54-V57 PolarHBondContact O-N 3.4Å; V57-H59 PolarHBondContact O-CD2 2.88Å; V57-H59 PolarHBondContact O-N 3.43Å
58L93.6Very high78.4Confident1 Ų177.9 Ų77.91%0.00541%0.407CS..THydrogen-bonded Turntrans-82.72.6179.1-60.9170000113.1F11 L36 L39 L43 L54 K56 F60F11-L58 HydrophobicContact CD2-CD2 4.37Å; F11-L58 HydrophobicContact CE2-CD2 4.16Å; F11-L58 HydrophobicContact CZ-CD2 4.34Å; L36-L58 HydrophobicContact CD1-CB 4.3Å; L36-L58 HydrophobicContact CD1-CD2 3.62Å; L39-L58 HydrophobicContact CB-CD1 4.11Å; L39-L58 HydrophobicContact CB-CD2 3.77Å; L39-L58 HydrophobicContact CD1-CD2 3.83Å; L39-L58 HydrophobicContact CG-CD2 4.47Å; L43-L58 HydrophobicContact CD2-CD1 4.28Å; L54-L58 HydrophobicContact CB-CD1 4.42Å; L54-L58 VanDerWaalsContact O-CB 3.26Å; L54-L58 WeakPolarHBondContact O-CB 3.45Å; L54-L58 WeakPolarHBondContact O-CD1 3.18Å; L54-L58 WeakPolarHBondContact O-CG 3.35Å; L54-L58 PolarHBondContact O-N 2.93Å; K56-L58 VanDerWaalsContact C-N 3.32Å; K56-L58 PolarHBondContact O-N 3.39Å; L58-F60 VanDerWaalsContact C-N 3.25Å; L58-F60 HydrophobicContact CB-CD1 4.27Å; L58-F60 HydrophobicContact CB-CD2 3.81Å; L58-F60 HydrophobicContact CB-CE1 4.14Å; L58-F60 HydrophobicContact CB-CE2 3.67Å; L58-F60 HydrophobicContact CB-CG 4.1Å; L58-F60 HydrophobicContact CB-CZ 3.83Å; L58-F60 HydrophobicContact CD1-CD2 4.18Å; L58-F60 HydrophobicContact CD1-CE2 3.68Å; L58-F60 HydrophobicContact CD1-CZ 4.32Å; L58-F60 HydrophobicContact CG-CE2 4.28Å; L58-F60 VanDerWaalsContact O-CD1 3.25Å; L58-F60 WeakPolarHBondContact O-CD1 3.15Å; L58-F60 WeakPolarHBondContact O-CE1 3.46Å; L58-F60 PolarHBondContact O-N 3.49Å
59H92.8Very high76Confident33 Ų3382.6 Ų82.615%0.15343%0.43CS..THydrogen-bonded Turntrans57.933-177.8-62.9-82.2000113.8A7 E10 F11 D14 E55 K56 V57 T63A7-H59 HydrophobicContact CB-CB 4.13Å; E10-H59 HydrophobicContact CB-CB 4.31Å; E10-H59 IonicContact OE2-CG 2.61Å; E10-H59 IonicContact OE2-ND1 3.63Å; F11-H59 PolarHBondContact N-CD2 3.25Å; D14-H59 IonicContact OD2-CE1 3.63Å; D14-H59 PolarHBondContact OD2-CE1 3.38Å; D14-H59 VanDerWaalsContact OD2-CE1 3.27Å; D14-H59 IonicContact OD2-NE2 2.7Å; D14-H59 PolarHBondContact OD2-NE2 2.83Å; E55-H59 PolarHBondContact O-N 3.08Å; K56-H59 PolarHBondContact O-N 3.32Å; V57-H59 PolarHBondContact O-CD2 2.88Å; V57-H59 PolarHBondContact O-N 3.43Å; H59-T63 PolarHBondContact O-OG1 3.49Å
60F87.5Confident73.6Confident0 Ų078.5 Ų78.50%043%0.429CS..  trans-87.2-23.4177-62.7-20.8000113.2L4 A7 L36 S40 L43 E55 L58 H62 T63 V64 I83 F87L4-F60 HydrophobicContact CD1-CE1 4.17Å; L4-F60 HydrophobicContact CD1-CZ 4.49Å; A7-F60 HydrophobicContact CB-CD1 3.99Å; A7-F60 HydrophobicContact CB-CE1 3.97Å; L36-F60 HydrophobicContact CD1-CE1 4.44Å; L36-F60 HydrophobicContact CD1-CZ 4.23Å; L36-F60 HydrophobicContact CD2-CZ 4.45Å; L36-F60 HydrophobicContact CG-CZ 4.24Å; S40-F60 WeakPolarHBondContact OG-CE2 3.32Å; S40-F60 WeakPolarHBondContact OG-CZ 3.45Å; L43-F60 HydrophobicContact CD2-CD2 3.51Å; L43-F60 HydrophobicContact CD2-CE2 3.78Å; E55-F60 HydrophobicContact CB-CB 4.47Å; E55-F60 PolarHBondContact O-N 3.32Å; L58-F60 VanDerWaalsContact C-N 3.25Å; L58-F60 HydrophobicContact CB-CD1 4.27Å; L58-F60 HydrophobicContact CB-CD2 3.81Å; L58-F60 HydrophobicContact CB-CE1 4.14Å; L58-F60 HydrophobicContact CB-CE2 3.67Å; L58-F60 HydrophobicContact CB-CG 4.1Å; L58-F60 HydrophobicContact CB-CZ 3.83Å; L58-F60 HydrophobicContact CD1-CD2 4.18Å; L58-F60 HydrophobicContact CD1-CE2 3.68Å; L58-F60 HydrophobicContact CD1-CZ 4.32Å; L58-F60 HydrophobicContact CG-CE2 4.28Å; L58-F60 VanDerWaalsContact O-CD1 3.25Å; L58-F60 WeakPolarHBondContact O-CD1 3.15Å; L58-F60 WeakPolarHBondContact O-CE1 3.46Å; L58-F60 PolarHBondContact O-N 3.49Å; F60-H62 VanDerWaalsContact C-N 3.3Å; F60-H62 PolarHBondContact O-N 3.35Å; F60-T63 WeakPolarHBondContact O-CA 3.41Å; F60-T63 VanDerWaalsContact O-CB 3.29Å; F60-T63 WeakPolarHBondContact O-CB 3.32Å; F60-T63 PolarHBondContact O-N 3.29Å; F60-V64 WeakPolarHBondContact O-CG2 3.48Å; F60-V64 PolarHBondContact O-N 3.08Å; F60-I83 HydrophobicContact CD1-CD1 4.02Å; F60-I83 HydrophobicContact CD1-CG1 3.79Å; F60-I83 HydrophobicContact CD2-CG1 4.07Å; F60-I83 HydrophobicContact CD2-CG2 4.06Å; F60-I83 HydrophobicContact CE1-CD1 4.11Å; F60-I83 HydrophobicContact CE1-CG1 3.8Å; F60-I83 HydrophobicContact CE2-CG1 4.07Å; F60-I83 HydrophobicContact CE2-CG2 4.3Å; F60-I83 HydrophobicContact CG-CG1 3.95Å; F60-I83 HydrophobicContact CZ-CG1 3.95Å; F60-F87 HydrophobicContact CE2-CE2 4.31Å; F60-F87 AromaticContact CZ-CE2 3.76Å; F60-F87 HydrophobicContact CZ-CE2 3.76Å; F60-F87 AromaticContact CZ-CZ 3.83Å; F60-F87 HydrophobicContact CZ-CZ 3.83Å
61S75.5Confident71.3Confident48 Ų4882 Ų8234%0.33644%0.438SS..Hα-helixtrans-55.1-39.9-179.653.60000113.9E55 T63E55-S61 PolarHBondContact O-N 3.23Å; S61-T63 VanDerWaalsContact C-N 3.29Å
62H64Low69Low135 Ų13590 Ų9063%0.62547%0.472SS*.Hα-helixtrans-81.3-13.4178.2-61.2-63.6000113.4F60F60-H62 VanDerWaalsContact C-N 3.3Å; F60-H62 PolarHBondContact O-N 3.35Å
63T57Low67.2Low13 Ų1385 Ų858%0.0845%0.449CS..Hα-helixtrans-92.2-33.4-168.7-49.50000110.2S3 H59 F60 S61 D65 S66 L67 I83S3-T63 WeakPolarHBondContact OG-CG2 3.06Å; H59-T63 PolarHBondContact O-OG1 3.49Å; F60-T63 WeakPolarHBondContact O-CA 3.41Å; F60-T63 VanDerWaalsContact O-CB 3.29Å; F60-T63 WeakPolarHBondContact O-CB 3.32Å; F60-T63 PolarHBondContact O-N 3.29Å; S61-T63 VanDerWaalsContact C-N 3.29Å; T63-D65 VanDerWaalsContact C-N 3.33Å; T63-D65 PolarHBondContact O-N 3.33Å; T63-S66 PolarHBondContact O-N 3.46Å; T63-S66 VanDerWaalsContact O-N 3.11Å; T63-L67 WeakPolarHBondContact O-CG 3.36Å; T63-I83 HydrophobicContact CG2-CD1 4.24Å
64V54.5Low65.2Low71 Ų7180.8 Ų80.843%0.4344%0.435SS..Hα-helixtrans-60.2-38.3177.6-1720000112.6F60 S66 L67F60-V64 WeakPolarHBondContact O-CG2 3.48Å; F60-V64 PolarHBondContact O-N 3.08Å; V64-S66 VanDerWaalsContact C-N 3.27Å; V64-S66 PolarHBondContact O-N 3.13Å; V64-L67 PolarHBondContact O-N 3.47Å
65D49.3Very low63.4Low147 Ų14785.1 Ų85.179%0.78646%0.464SS*.THydrogen-bonded Turntrans-67.4-26.1177.8-72.5-25.5000113.2T63T63-D65 VanDerWaalsContact C-N 3.33Å; T63-D65 PolarHBondContact O-N 3.33Å
66S46.8Very low62.2Low88 Ų8889.6 Ų89.662%0.61548%0.483SS*.THydrogen-bonded Turntrans-85.7-10.2-176.9-62.90000113.4T63 V64 K68T63-S66 PolarHBondContact O-N 3.46Å; T63-S66 VanDerWaalsContact O-N 3.11Å; V64-S66 VanDerWaalsContact C-N 3.27Å; V64-S66 PolarHBondContact O-N 3.13Å; S66-K68 PolarHBondContact O-N 3.14Å
67L52.3Low61.2Low22 Ų2282.6 Ų82.612%0.11545%0.453CS..SBendtrans-81.7105.2-176-66.1172.8000109.8T63 V64 R82 E86T63-L67 WeakPolarHBondContact O-CG 3.36Å; V64-L67 PolarHBondContact O-N 3.47Å; L67-R82 VanDerWaalsContact C-NH1 3.27Å; L67-R82 VanDerWaalsContact CB-CZ 3.43Å; L67-R82 HydrophobicContact CD1-CB 3.65Å; L67-R82 PolarHBondContact O-NH1 3.19Å; L67-E86 WeakPolarHBondContact CD2-OE1 3.31Å
68K44.1Very low59.5Low179 Ų17981.6 Ų81.678%0.77845%0.45SS*.  trans-57.3145.8176.9-68-177.3179.7179.70112.9S66 G70 R82S66-K68 PolarHBondContact O-N 3.14Å; K68-G70 PolarHBondContact O-N 3.2Å; K68-R82 PolarHBondContact O-NH1 3.35Å; K68-R82 PolarHBondContact O-NH2 2.98Å
69P40.7Very low57.6Low138 Ų13887.9 Ų87.990%0.89648%0.479SS*.THydrogen-bonded Turntrans-71.535.3-168.729.3-37.1000117.4
70G43.5Very low55.8Low66 Ų6686.9 Ų86.968%0.6848%0.477SS*.THydrogen-bonded Turntrans-99.8-16.1-16900000118K68K68-G70 PolarHBondContact O-N 3.2Å
71F45.3Very low54.7Low155 Ų15588.3 Ų88.368%0.6849%0.491SS*.  trans-105.8108.1-176.5-95-98.2000110.9D73F71-D73 PolarHBondContact O-N 2.91Å
72K43.7Very low54.5Low210 Ų21089.2 Ų89.291%0.91349%0.487SS*.  trans-78.496.3170.2-68.5-177.8-179.8179.90108
73D53.1Low55.3Low26 Ų2683.1 Ų83.114%0.13946%0.459CS..  trans-56.2150.7166-79.6-44.8000110.3F71 W128F71-D73 PolarHBondContact O-N 2.91Å; D73-W128 VanDerWaalsContact OD1-CZ2 3.24Å; D73-W128 WeakPolarHBondContact OD1-CZ2 3.46Å
74S51.3Low56.9Low44 Ų4482.6 Ų82.631%0.30846%0.456SS..  trans-61.5144.1173.979.90000108.9K76 C77 S78S74-K76 PolarHBondContact O-N 2.59Å; S74-C77 PolarHBondContact O-N 2.95Å; S74-S78 PolarHBondContact O-N 3.06Å
75P57.8Low58.5Low121 Ų12179.9 Ų79.979%0.78644%0.44SS*.THydrogen-bonded Turntrans-58.8-14.7-17419.8-31.6000113.9S78P75-S78 PolarHBondContact O-OG 3.41Å
76K64.9Low60.3Low148 Ų14875.2 Ų75.264%0.64341%0.414SS*.THydrogen-bonded Turntrans-81.9-31176.4-69.2-172.9177.7-177.30114.1S74 Q120S74-K76 PolarHBondContact O-N 2.59Å; K76-Q120 WeakPolarHBondContact O-CG 3.22Å; K76-Q120 PolarHBondContact O-NE2 2.72Å
77C73.2Confident62.5Low4 Ų471 Ų713%0.02738%0.384CS..THydrogen-bonded Turntrans-114.90.4-177.9-59.10000113S74 Q79 A80 C124S74-C77 PolarHBondContact O-N 2.95Å; C77-Q79 PolarHBondContact O-N 2.74Å; C77-A80 VanDerWaalsContact O-CB 3.25Å; C77-A80 WeakPolarHBondContact O-CB 3.26Å; C77-A80 PolarHBondContact O-N 3.04Å; C77-C124 WeakPolarHBondContact CA-SG 3.36Å; C77-C124 HydrophobicContact CB-CB 4Å; C77-C124 WeakPolarHBondContact CB-SG 3.33Å; C77-C124 WeakPolarHBondContact SG-CA 3.33Å; C77-C124 WeakPolarHBondContact SG-CB 3.29Å; C77-C124 CovalentContact SG-SG 2.04Å; C77-C124 PolarHBondContact SG-SG 3.4Å
78S59.3Low64.3Low64 Ų6470.4 Ų70.445%0.44838%0.383SS..G310 helixtrans-60.7-23.7178.554.40000113.8S74 P75 A80S74-S78 PolarHBondContact O-N 3.06Å; P75-S78 PolarHBondContact O-OG 3.41Å; S78-A80 VanDerWaalsContact C-N 3.32Å
79Q53.6Low66.6Low134 Ų13465.4 Ų65.463%0.62637%0.367SS*.G310 helixtrans-80.5-12.9177.4-160170.417.900113.2C77 G81C77-Q79 PolarHBondContact O-N 2.74Å; Q79-G81 PolarHBondContact O-N 3.48Å
80A55.6Low69Low12 Ų1261.5 Ų61.510%0.09934%0.337CS..G310 helixtrans-73.7-15.8177.700000112.6L44 C77 S78 H84L44-A80 HydrophobicContact CD1-CB 3.32Å; C77-A80 VanDerWaalsContact O-CB 3.25Å; C77-A80 WeakPolarHBondContact O-CB 3.26Å; C77-A80 PolarHBondContact O-N 3.04Å; S78-A80 VanDerWaalsContact C-N 3.32Å; A80-H84 VanDerWaalsContact CB-CD2 3.5Å; A80-H84 WeakPolarHBondContact CB-CD2 3.36Å; A80-H84 PolarHBondContact O-CD2 2.91Å; A80-H84 PolarHBondContact O-NE2 3.06Å
81G64.1Low71.4Confident30 Ų3059.6 Ų59.631%0.30931%0.31SS..  trans89.5154.3-17200000112.2Q79 I83 H84Q79-G81 PolarHBondContact O-N 3.48Å; G81-I83 VanDerWaalsContact C-N 3.29Å; G81-I83 PolarHBondContact O-N 3.46Å; G81-H84 PolarHBondContact O-CD2 2.75Å
82R70.3Confident73.6Confident67 Ų6755.5 Ų55.525%0.25330%0.301SS..THydrogen-bonded Turntrans-74.1-20-166.8-66.5178.360.9-171.6-8113.6L67 K68 H84 S85L67-R82 VanDerWaalsContact C-NH1 3.27Å; L67-R82 VanDerWaalsContact CB-CZ 3.43Å; L67-R82 HydrophobicContact CD1-CB 3.65Å; L67-R82 PolarHBondContact O-NH1 3.19Å; K68-R82 PolarHBondContact O-NH1 3.35Å; K68-R82 PolarHBondContact O-NH2 2.98Å; R82-H84 VanDerWaalsContact C-N 3.3Å; R82-H84 PolarHBondContact O-N 3Å; R82-S85 PolarHBondContact O-N 3.04Å; R82-S85 PolarHBondContact O-OG 3.16Å
83I82.1Confident75.9Confident7 Ų750.7 Ų50.74%0.03628%0.282CS..Hα-helixtrans-62.8-35.3-177.3-165.665.5000112.1L4 F60 T63 G81 S85 E86 F87L4-I83 HydrophobicContact CB-CD1 4.49Å; L4-I83 HydrophobicContact CD1-CD1 4.24Å; F60-I83 HydrophobicContact CD1-CD1 4.02Å; F60-I83 HydrophobicContact CD1-CG1 3.79Å; F60-I83 HydrophobicContact CD2-CG1 4.07Å; F60-I83 HydrophobicContact CD2-CG2 4.06Å; F60-I83 HydrophobicContact CE1-CD1 4.11Å; F60-I83 HydrophobicContact CE1-CG1 3.8Å; F60-I83 HydrophobicContact CE2-CG1 4.07Å; F60-I83 HydrophobicContact CE2-CG2 4.3Å; F60-I83 HydrophobicContact CG-CG1 3.95Å; F60-I83 HydrophobicContact CZ-CG1 3.95Å; T63-I83 HydrophobicContact CG2-CD1 4.24Å; G81-I83 VanDerWaalsContact C-N 3.29Å; G81-I83 PolarHBondContact O-N 3.46Å; I83-S85 PolarHBondContact O-N 3.07Å; I83-E86 WeakPolarHBondContact O-CB 3.37Å; I83-E86 PolarHBondContact O-N 2.85Å; I83-E86 VanDerWaalsContact O-N 3.1Å; I83-F87 HydrophobicContact CG1-CE2 4.11Å; I83-F87 WeakPolarHBondContact O-CD2 3.46Å; I83-F87 PolarHBondContact O-N 3.42Å
84H89.7Confident77.8Confident1 Ų150.3 Ų50.31%0.00528%0.279CS..Hα-helixtrans-62.4-32.2178.1-58.6-72.4000112.7S40 A80 G81 R82 E86 F87 G88 W128 Y129S40-H84 PolarHBondContact O-CE1 2.84Å; S40-H84 VanDerWaalsContact O-CE1 3.28Å; A80-H84 VanDerWaalsContact CB-CD2 3.5Å; A80-H84 WeakPolarHBondContact CB-CD2 3.36Å; A80-H84 PolarHBondContact O-CD2 2.91Å; A80-H84 PolarHBondContact O-NE2 3.06Å; G81-H84 PolarHBondContact O-CD2 2.75Å; R82-H84 VanDerWaalsContact C-N 3.3Å; R82-H84 PolarHBondContact O-N 3Å; H84-E86 VanDerWaalsContact C-N 3.29Å; H84-E86 PolarHBondContact O-N 3.15Å; H84-F87 WeakPolarHBondContact O-CB 3.27Å; H84-F87 PolarHBondContact O-N 3.42Å; H84-G88 PolarHBondContact O-N 3.3Å; H84-W128 HydrophobicContact CB-CB 4.26Å; H84-W128 HydrophobicContact CB-CG 4.02Å; H84-W128 WeakPolarHBondContact O-CB 3.41Å; H84-Y129 HydrophobicContact CB-CE2 4.35Å; H84-Y129 AromaticContact ND1-CE2 3.55Å; H84-Y129 AromaticContact ND1-CZ 3.52Å; H84-Y129 PolarHBondContact ND1-OH 3.27Å
85S87.3Confident79.9Confident14 Ų1450.8 Ų50.810%0.09828%0.278CS..Hα-helixtrans-65.7-33.8177.374.90000112.2R82 I83 G88 V89R82-S85 PolarHBondContact O-N 3.04Å; R82-S85 PolarHBondContact O-OG 3.16Å; I83-S85 PolarHBondContact O-N 3.07Å; S85-G88 PolarHBondContact O-N 3.5Å; S85-V89 PolarHBondContact O-N 3.24Å
86E88.1Confident81.6Confident49 Ų4950.9 Ų50.923%0.22927%0.269CS..Hα-helixtrans-66.6-39.2176.2-59.5-15916800111.5S3 L4 L67 I83 H84 G88 V89 E90S3-E86 PolarHBondContact OG-OE1 2.58Å; S3-E86 PolarHBondContact OG-OE2 2.96Å; L4-E86 HydrophobicContact CB-CB 4.35Å; L4-E86 WeakPolarHBondContact CB-OE2 3.33Å; L4-E86 HydrophobicContact CD2-CB 4.2Å; L4-E86 PolarHBondContact N-OE2 3.22Å; L67-E86 WeakPolarHBondContact CD2-OE1 3.31Å; I83-E86 WeakPolarHBondContact O-CB 3.37Å; I83-E86 PolarHBondContact O-N 2.85Å; I83-E86 VanDerWaalsContact O-N 3.1Å; H84-E86 VanDerWaalsContact C-N 3.29Å; H84-E86 PolarHBondContact O-N 3.15Å; E86-G88 VanDerWaalsContact C-N 3.27Å; E86-G88 PolarHBondContact O-N 3.47Å; E86-V89 PolarHBondContact O-N 2.96Å; E86-E90 WeakPolarHBondContact O-CB 3.42Å; E86-E90 PolarHBondContact O-N 3.11Å
87F92.1Very high82.8Confident0 Ų050.4 Ų50.40%028%0.28CS..Hα-helixtrans-58.7-38.8172.1-77.5-82.1000112.4L4 L36 Y37 S40 F60 I83 H84 V89 E90 F91 Y129L4-F87 HydrophobicContact CD1-CD1 4.42Å; L4-F87 HydrophobicContact CD1-CD2 4.21Å; L4-F87 HydrophobicContact CD1-CE1 3.84Å; L4-F87 HydrophobicContact CD1-CE2 3.58Å; L4-F87 HydrophobicContact CD1-CZ 3.37Å; L4-F87 HydrophobicContact CD2-CD1 4.01Å; L4-F87 HydrophobicContact CD2-CD2 4.35Å; L4-F87 HydrophobicContact CD2-CE1 4.17Å; L4-F87 HydrophobicContact CD2-CE2 4.49Å; L4-F87 HydrophobicContact CD2-CG 4.12Å; L4-F87 HydrophobicContact CD2-CZ 4.41Å; L36-F87 HydrophobicContact CD2-CE1 4.02Å; L36-F87 HydrophobicContact CD2-CZ 3.76Å; L36-F87 HydrophobicContact CG-CE1 4.24Å; L36-F87 HydrophobicContact CG-CZ 3.88Å; Y37-F87 AromaticContact CD1-CD1 3.96Å; Y37-F87 HydrophobicContact CD1-CD1 3.96Å; Y37-F87 AromaticContact CD2-CD1 3.81Å; Y37-F87 HydrophobicContact CD2-CD1 3.81Å; Y37-F87 AromaticContact CD2-CE1 3.83Å; Y37-F87 HydrophobicContact CD2-CE1 3.83Å; Y37-F87 HydrophobicContact CE1-CB 4.26Å; Y37-F87 AromaticContact CE1-CD1 3.77Å; Y37-F87 HydrophobicContact CE1-CD1 3.77Å; Y37-F87 HydrophobicContact CE1-CG 4.5Å; Y37-F87 AromaticContact CE2-CD1 3.65Å; Y37-F87 HydrophobicContact CE2-CD1 3.65Å; Y37-F87 HydrophobicContact CE2-CE1 4.02Å; Y37-F87 AromaticContact CG-CD1 3.97Å; Y37-F87 HydrophobicContact CG-CD1 3.97Å; Y37-F87 HydrophobicContact CG-CE1 4.12Å; Y37-F87 AromaticContact CZ-CD1 3.62Å; Y37-F87 PolarHBondContact OH-O 3.12Å; Y37-F87 VanDerWaalsContact OH-O 3.1Å; S40-F87 WeakPolarHBondContact OG-CE2 3.49Å; S40-F87 WeakPolarHBondContact OG-CZ 3.34Å; F60-F87 HydrophobicContact CE2-CE2 4.31Å; F60-F87 AromaticContact CZ-CE2 3.76Å; F60-F87 HydrophobicContact CZ-CE2 3.76Å; F60-F87 AromaticContact CZ-CZ 3.83Å; F60-F87 HydrophobicContact CZ-CZ 3.83Å; I83-F87 HydrophobicContact CG1-CE2 4.11Å; I83-F87 WeakPolarHBondContact O-CD2 3.46Å; I83-F87 PolarHBondContact O-N 3.42Å; H84-F87 WeakPolarHBondContact O-CB 3.27Å; H84-F87 PolarHBondContact O-N 3.42Å; F87-V89 VanDerWaalsContact C-N 3.35Å; F87-V89 PolarHBondContact O-N 3.4Å; F87-E90 PolarHBondContact O-N 2.91Å; F87-F91 WeakPolarHBondContact O-CB 3.32Å; F87-F91 PolarHBondContact O-N 3.3Å; F87-Y129 HydrophobicContact CB-CD1 4.15Å; F87-Y129 HydrophobicContact CB-CE1 3.52Å; F87-Y129 AromaticContact CD1-CE1 3.85Å; F87-Y129 HydrophobicContact CD1-CE1 3.85Å; F87-Y129 AromaticContact CD2-CE1 3.98Å; F87-Y129 HydrophobicContact CD2-CE1 3.98Å; F87-Y129 VanDerWaalsContact CD2-OH 3.3Å; F87-Y129 WeakPolarHBondContact CD2-OH 3.24Å; F87-Y129 HydrophobicContact CG-CD1 4.48Å; F87-Y129 AromaticContact CG-CE1 3.53Å; F87-Y129 HydrophobicContact CG-CE1 3.53Å
88G91.6Very high83.7Confident9 Ų954.4 Ų54.49%0.09330%0.301CS..Hα-helixtrans-65.4-37.8176.700000113.3H84 S85 E86 S92 W128H84-G88 PolarHBondContact O-N 3.3Å; S85-G88 PolarHBondContact O-N 3.5Å; E86-G88 VanDerWaalsContact C-N 3.27Å; E86-G88 PolarHBondContact O-N 3.47Å; G88-S92 PolarHBondContact O-N 3.31Å; G88-S92 PolarHBondContact O-OG 3.26Å; G88-W128 WeakPolarHBondContact CA-O 3.49Å; G88-W128 PolarHBondContact N-O 3.25Å
89V90.6Very high85.1Confident74 Ų7456.8 Ų56.845%0.44832%0.318SS..Hα-helixtrans-66.5-50.2174.4175.60000110.2S85 E86 F87 F91 S92 Q93S85-V89 PolarHBondContact O-N 3.24Å; E86-V89 PolarHBondContact O-N 2.96Å; F87-V89 VanDerWaalsContact C-N 3.35Å; F87-V89 PolarHBondContact O-N 3.4Å; V89-F91 PolarHBondContact O-N 2.91Å; V89-S92 WeakPolarHBondContact O-CB 3.36Å; V89-S92 PolarHBondContact O-N 3.42Å; V89-S92 VanDerWaalsContact O-N 3.16Å; V89-Q93 WeakPolarHBondContact O-CG 3.4Å; V89-Q93 PolarHBondContact O-N 3.41Å
90E91.6Very high87Confident57 Ų5757.3 Ų57.327%0.26633%0.325SS..Hα-helixtrans-60.3-45.5179.7-168.171.6-161.600111.2L4 E86 F87 S92 Q93 I94L4-E90 HydrophobicContact CD2-CB 4.24Å; L4-E90 HydrophobicContact CD2-CG 4.5Å; E86-E90 WeakPolarHBondContact O-CB 3.42Å; E86-E90 PolarHBondContact O-N 3.11Å; F87-E90 PolarHBondContact O-N 2.91Å; E90-S92 PolarHBondContact O-N 3.04Å; E90-Q93 PolarHBondContact O-N 3.4Å; E90-I94 HydrophobicContact CG-CD1 3.8Å; E90-I94 HydrophobicContact CG-CG1 4.34Å; E90-I94 WeakPolarHBondContact O-CB 3.16Å; E90-I94 WeakPolarHBondContact O-CG1 3.26Å; E90-I94 PolarHBondContact O-N 3.48Å
91F93.7Very high88.8Confident26 Ų2660.2 Ų60.211%0.11434%0.344CS..Hα-helixtrans-55.4-42.5176.2-177.2-80.7000111.5Y37 F87 V89 Q93 N95 I105 Q130Y37-F91 HydrophobicContact CE1-CB 4.28Å; Y37-F91 HydrophobicContact CE1-CD2 4.09Å; Y37-F91 WeakPolarHBondContact OH-CA 3.28Å; Y37-F91 PolarHBondContact OH-N 3.03Å; F87-F91 WeakPolarHBondContact O-CB 3.32Å; F87-F91 PolarHBondContact O-N 3.3Å; V89-F91 PolarHBondContact O-N 2.91Å; F91-Q93 VanDerWaalsContact C-N 3.33Å; F91-N95 WeakPolarHBondContact CE1-ND2 3.48Å; F91-N95 WeakPolarHBondContact CE2-ND2 3.39Å; F91-N95 WeakPolarHBondContact CZ-ND2 3.16Å; F91-N95 WeakPolarHBondContact O-CB 3.48Å; F91-N95 PolarHBondContact O-N 3.11Å; F91-N95 VanDerWaalsContact O-N 3.17Å; F91-N95 PolarHBondContact O-ND2 2.99Å; F91-I105 HydrophobicContact CD2-CG2 3.62Å; F91-I105 HydrophobicContact CE2-CG2 3.81Å; F91-I105 VanDerWaalsContact CE2-O 3.24Å; F91-I105 WeakPolarHBondContact CE2-O 3.22Å; F91-I105 HydrophobicContact CG-CG2 4.35Å; F91-I105 WeakPolarHBondContact CZ-O 3.49Å; F91-Q130 HydrophobicContact CD1-CB 4.34Å; F91-Q130 HydrophobicContact CD1-CG 3.69Å; F91-Q130 HydrophobicContact CE1-CB 3.7Å; F91-Q130 HydrophobicContact CE1-CG 3.33Å; F91-Q130 HydrophobicContact CE2-CB 4.12Å; F91-Q130 HydrophobicContact CE2-CG 4.5Å; F91-Q130 HydrophobicContact CG-CG 4.44Å; F91-Q130 HydrophobicContact CZ-CB 3.56Å; F91-Q130 HydrophobicContact CZ-CG 3.79Å
92S92Very high90Very high68 Ų6865 Ų6548%0.47637%0.367SS..Hα-helixtrans-71.2-28.7-179.9-57.30000112.5G88 V89 E90 Q96G88-S92 PolarHBondContact O-N 3.31Å; G88-S92 PolarHBondContact O-OG 3.26Å; V89-S92 WeakPolarHBondContact O-CB 3.36Å; V89-S92 PolarHBondContact O-N 3.42Å; V89-S92 VanDerWaalsContact O-N 3.16Å; E90-S92 PolarHBondContact O-N 3.04Å; S92-Q96 WeakPolarHBondContact O-CG 3.43Å; S92-Q96 PolarHBondContact O-NE2 2.64Å
93Q92.3Very high91.1Very high110 Ų11066.9 Ų66.951%0.51438%0.382SS..Hα-helixtrans-78-45175.5-69.3176.36.300111.3V89 E90 F91 N95 Q96V89-Q93 WeakPolarHBondContact O-CG 3.4Å; V89-Q93 PolarHBondContact O-N 3.41Å; E90-Q93 PolarHBondContact O-N 3.4Å; F91-Q93 VanDerWaalsContact C-N 3.33Å; Q93-N95 VanDerWaalsContact C-N 3.3Å; Q93-N95 PolarHBondContact O-N 3.28Å; Q93-Q96 WeakPolarHBondContact O-CB 3.26Å; Q93-Q96 PolarHBondContact O-N 2.89Å
94I93.1Very high91.7Very high17 Ų1769 Ų699%0.08740%0.398CS..Hα-helixtrans-59.8-41.3179.7-73175000111.6L33 E90 Q96 L103 I105L33-I94 HydrophobicContact CD2-CD1 3.68Å; E90-I94 HydrophobicContact CG-CD1 3.8Å; E90-I94 HydrophobicContact CG-CG1 4.34Å; E90-I94 WeakPolarHBondContact O-CB 3.16Å; E90-I94 WeakPolarHBondContact O-CG1 3.26Å; E90-I94 PolarHBondContact O-N 3.48Å; I94-Q96 VanDerWaalsContact C-N 3.31Å; I94-Q96 PolarHBondContact O-N 3.37Å; I94-L103 HydrophobicContact CB-CD2 4.24Å; I94-L103 HydrophobicContact CG1-CD2 4.24Å; I94-L103 HydrophobicContact CG2-CD2 3.76Å; I94-L103 HydrophobicContact CG2-CG 3.76Å; I94-I105 HydrophobicContact CB-CG2 4.17Å; I94-I105 HydrophobicContact CD1-CG2 4.46Å; I94-I105 HydrophobicContact CG2-CB 3.98Å; I94-I105 HydrophobicContact CG2-CG2 3.57Å
95N94.3Very high92Very high54 Ų5469.7 Ų69.729%0.28940%0.401SS..THydrogen-bonded Turntrans-88.78.7-177.8-73.3-48.6000113.8F91 Q93 S104 I105F91-N95 WeakPolarHBondContact CE1-ND2 3.48Å; F91-N95 WeakPolarHBondContact CE2-ND2 3.39Å; F91-N95 WeakPolarHBondContact CZ-ND2 3.16Å; F91-N95 WeakPolarHBondContact O-CB 3.48Å; F91-N95 PolarHBondContact O-N 3.11Å; F91-N95 VanDerWaalsContact O-N 3.17Å; F91-N95 PolarHBondContact O-ND2 2.99Å; Q93-N95 VanDerWaalsContact C-N 3.3Å; Q93-N95 PolarHBondContact O-N 3.28Å; N95-S104 VanDerWaalsContact OD1-CA 3.24Å; N95-S104 WeakPolarHBondContact OD1-CA 3.46Å; N95-I105 WeakPolarHBondContact ND2-CG2 3.47Å; N95-I105 PolarHBondContact ND2-O 2.99Å; N95-I105 PolarHBondContact OD1-N 2.83Å; N95-I105 PolarHBondContact OD1-O 3.4Å
96Q93.6Very high92.5Very high124 Ų12469.7 Ų69.758%0.57940%0.402SS*.SBendtrans-69.7135171.7-90.2169.247.500110.3S92 Q93 I94 D98S92-Q96 WeakPolarHBondContact O-CG 3.43Å; S92-Q96 PolarHBondContact O-NE2 2.64Å; Q93-Q96 WeakPolarHBondContact O-CB 3.26Å; Q93-Q96 PolarHBondContact O-N 2.89Å; I94-Q96 VanDerWaalsContact C-N 3.31Å; I94-Q96 PolarHBondContact O-N 3.37Å; Q96-D98 PolarHBondContact O-N 2.9Å
97P91.6Very high92.9Very high137 Ų13767.8 Ų67.889%0.8939%0.393SS*.  trans-59.6128.9174.3-2232.5000110.9
98D90.8Very high93.2Very high88 Ų8871 Ų7147%0.47141%0.406SS..  trans-123.5142.3173.7-176.7-87.5000109.2Q96 N100 C101Q96-D98 PolarHBondContact O-N 2.9Å; D98-N100 WeakPolarHBondContact OD1-CA 3.32Å; D98-N100 WeakPolarHBondContact OD1-CB 3.39Å; D98-N100 PolarHBondContact OD1-N 2.99Å; D98-C101 PolarHBondContact OD1-N 3.22Å
99S89.3Confident93.6Very high114 Ų11470.6 Ų70.680%0.79740%0.401SS*.SBendtrans-80.3-16.8-176.859.90000113.8
100N94Very high93.9Very high146 Ų14667.1 Ų67.178%0.78138%0.38SS*.SBendtrans-104.2-27.3-173-56.3-46000112.5D98D98-N100 WeakPolarHBondContact OD1-CA 3.32Å; D98-N100 WeakPolarHBondContact OD1-CB 3.39Å; D98-N100 PolarHBondContact OD1-N 2.99Å
101C91.9Very high94.2Very high72 Ų7264.4 Ų64.449%0.48637%0.367SS..  trans-140.9154.817873.10000112.4D98D98-C101 PolarHBondContact OD1-N 3.22Å
102T90.6Very high94.4Very high130 Ų13063.4 Ų63.480%0.79836%0.363SS*.  trans-102.9113168.5-55.50000108
103L93.6Very high94.5Very high107 Ų10764.8 Ų64.856%0.5636%0.361SS*.  trans-121.2137.3172-17066.3000108.5I94I94-L103 HydrophobicContact CB-CD2 4.24Å; I94-L103 HydrophobicContact CG1-CD2 4.24Å; I94-L103 HydrophobicContact CG2-CD2 3.76Å; I94-L103 HydrophobicContact CG2-CG 3.76Å
104S94.5Very high94.6Very high53 Ų5363.4 Ų63.437%0.37136%0.36SS..  trans-152.6145.9177.7600000110.9N95N95-S104 VanDerWaalsContact OD1-CA 3.24Å; N95-S104 WeakPolarHBondContact OD1-CA 3.46Å
105I95.8Very high94.7Very high14 Ų1466.9 Ų66.97%0.07238%0.377CS..  trans-137.8137.5169.6-166.7171.6000109Y37 F91 I94 N95 N180 A181Y37-I105 HydrophobicContact CD1-CD1 4.25Å; Y37-I105 HydrophobicContact CD2-CD1 3.58Å; Y37-I105 HydrophobicContact CE1-CD1 4.3Å; Y37-I105 HydrophobicContact CE2-CD1 3.58Å; Y37-I105 HydrophobicContact CG-CD1 3.92Å; F91-I105 HydrophobicContact CD2-CG2 3.62Å; F91-I105 HydrophobicContact CE2-CG2 3.81Å; F91-I105 VanDerWaalsContact CE2-O 3.24Å; F91-I105 WeakPolarHBondContact CE2-O 3.22Å; F91-I105 HydrophobicContact CG-CG2 4.35Å; F91-I105 WeakPolarHBondContact CZ-O 3.49Å; I94-I105 HydrophobicContact CB-CG2 4.17Å; I94-I105 HydrophobicContact CD1-CG2 4.46Å; I94-I105 HydrophobicContact CG2-CB 3.98Å; I94-I105 HydrophobicContact CG2-CG2 3.57Å; N95-I105 WeakPolarHBondContact ND2-CG2 3.47Å; N95-I105 PolarHBondContact ND2-O 2.99Å; N95-I105 PolarHBondContact OD1-N 2.83Å; N95-I105 PolarHBondContact OD1-O 3.4Å; I105-N180 VanDerWaalsContact CD1-ND2 3.31Å; I105-N180 WeakPolarHBondContact CD1-ND2 3.38Å; I105-N180 WeakPolarHBondContact CG1-ND2 3.47Å; I105-A181 CarbonylContact C-O 3.57Å; I105-A181 WeakPolarHBondContact CA-O 3.04Å
106A96.8Very high94.8Very high15 Ų1569 Ų6912%0.12440%0.402CS..  trans-134.9138.2-179.200000110.5W152 K156 N180 A181A106-W152 HydrophobicContact CB-CH2 3.82Å; A106-W152 HydrophobicContact CB-CZ2 3.99Å; A106-K156 HydrophobicContact CB-CB 4.08Å; A106-K156 HydrophobicContact CB-CD 3.9Å; A106-K156 HydrophobicContact CB-CG 3.78Å; A106-N180 CarbonylContact O-C 3.5Å; A106-N180 WeakPolarHBondContact O-CA 3.43Å; A106-A181 PolarHBondContact N-O 2.77Å; A106-A181 PolarHBondContact O-N 3.21Å
107N98.1Very high94.9Very high8 Ų865 Ų654%0.04338%0.383CS..EExtended strand (participates in β ladder)trans-121.3148.2176.1-59.3-69.2000110.9Y37 M41 Y129 A131 V179 N180Y37-N107 WeakPolarHBondContact CD1-ND2 3.33Å; M41-N107 HydrophobicContact CE-CB 4.08Å; M41-N107 HydrophobicContact SD-CB 4.03Å; N107-Y129 WeakPolarHBondContact CB-O 3.09Å; N107-Y129 PolarHBondContact ND2-O 2.7Å; N107-A131 HydrophobicContact CB-CB 3.61Å; N107-V179 CarbonylContact C-O 3.49Å; N107-V179 VanDerWaalsContact CA-O 3.26Å; N107-V179 WeakPolarHBondContact CA-O 3.24Å; N107-N180 PolarHBondContact OD1-ND2 2.66Å
108R98.1Very high95.1Very high69 Ų6966 Ų6626%0.2638%0.375SS..EExtended strand (participates in β ladder)trans-152.1146.4171.6-176166.1-80.8-167.70.8111.2Y110 W152 V179R108-Y110 HydrophobicContact CB-CE2 4.03Å; R108-Y110 WeakPolarHBondContact CD-OH 3.4Å; R108-Y110 HydrophobicContact CG-CD2 4.08Å; R108-Y110 HydrophobicContact CG-CE1 4.42Å; R108-Y110 HydrophobicContact CG-CE2 3.62Å; R108-W152 HydrophobicContact CB-CD2 4.44Å; R108-W152 HydrophobicContact CB-CE3 4.39Å; R108-W152 HydrophobicContact CB-CH2 3.62Å; R108-W152 HydrophobicContact CB-CZ2 3.66Å; R108-W152 HydrophobicContact CB-CZ3 4.01Å; R108-V179 PolarHBondContact N-O 2.64Å; R108-V179 PolarHBondContact O-N 3.25Å
109L98.4Very high95.3Very high0 Ų068.3 Ų68.30%038%0.383CS..EExtended strand (participates in β ladder)trans-104.1134.1168.4-50.1177.5000108.7M41 Y121 L122 S125 A131 R132 L133 Q134 M176 L178M41-L109 HydrophobicContact SD-CD2 4.05Å; L109-Y121 HydrophobicContact CD1-CE1 3.75Å; L109-L122 HydrophobicContact CD1-CD2 4.3Å; L109-S125 WeakPolarHBondContact CD1-OG 3.19Å; L109-A131 HydrophobicContact CG-CB 4.27Å; L109-R132 PolarHBondContact N-O 2.84Å; L109-L133 HydrophobicContact CB-CD1 3.96Å; L109-L133 CarbonylContact O-C 3.16Å; L109-L133 WeakPolarHBondContact O-CA 3.16Å; L109-Q134 PolarHBondContact O-N 3.24Å; L109-M176 HydrophobicContact CD2-SD 4.3Å; L109-L178 HydrophobicContact CD2-CB 4.23Å; L109-L178 HydrophobicContact CD2-CD2 3.53Å; L109-L178 HydrophobicContact CD2-CG 3.62Å
110Y98.3Very high95.5Very high0 Ų067.2 Ų67.20%037%0.365CS..EExtended strand (participates in β ladder)trans-115.7112.4168-65.1-89.6000107.9R108 Q134 V136 T148 I149 W152 M176 V177 V179R108-Y110 HydrophobicContact CB-CE2 4.03Å; R108-Y110 WeakPolarHBondContact CD-OH 3.4Å; R108-Y110 HydrophobicContact CG-CD2 4.08Å; R108-Y110 HydrophobicContact CG-CE1 4.42Å; R108-Y110 HydrophobicContact CG-CE2 3.62Å; Y110-Q134 VanDerWaalsContact CA-O 3.32Å; Y110-Q134 WeakPolarHBondContact CA-O 3.32Å; Y110-Q134 HydrophobicContact CD1-CB 3.87Å; Y110-Q134 HydrophobicContact CD1-CG 4.12Å; Y110-Q134 HydrophobicContact CE1-CB 4.04Å; Y110-Q134 HydrophobicContact CE1-CG 4.15Å; Y110-Q134 VanDerWaalsContact CE1-OE1 3.23Å; Y110-V136 HydrophobicContact CD1-CG1 3.76Å; Y110-T148 HydrophobicContact CE1-CG2 4.44Å; Y110-I149 HydrophobicContact CD1-CD1 4.2Å; Y110-I149 HydrophobicContact CD1-CG1 3.74Å; Y110-I149 HydrophobicContact CD2-CD1 3.89Å; Y110-I149 HydrophobicContact CD2-CG1 3.7Å; Y110-I149 HydrophobicContact CD2-CG2 4.27Å; Y110-I149 HydrophobicContact CE1-CG1 3.73Å; Y110-I149 HydrophobicContact CE2-CB 4.22Å; Y110-I149 HydrophobicContact CE2-CD1 4.39Å; Y110-I149 HydrophobicContact CE2-CG1 3.72Å; Y110-I149 HydrophobicContact CE2-CG2 3.9Å; Y110-I149 HydrophobicContact CG-CD1 3.77Å; Y110-I149 HydrophobicContact CG-CG1 3.69Å; Y110-W152 WeakPolarHBondContact OH-CB 3.03Å; Y110-W152 VanDerWaalsContact OH-CG 3.28Å; Y110-M176 CarbonylContact O-C 3.56Å; Y110-M176 VanDerWaalsContact O-CA 3.22Å; Y110-M176 WeakPolarHBondContact O-CA 3.43Å; Y110-V177 PolarHBondContact N-O 3.41Å; Y110-V177 PolarHBondContact O-N 3.36Å; Y110-V179 HydrophobicContact CD2-CG2 4.05Å; Y110-V179 HydrophobicContact CE2-CG2 4.03Å
111G97.8Very high95.5Very high0 Ų062 Ų620%034%0.335CS..EExtended strand (participates in β ladder)trans-117.3148.9-176.100000112Q134 T135 V136 V175G111-Q134 PolarHBondContact N-O 3.32Å; G111-Q134 VanDerWaalsContact N-O 3.09Å; G111-T135 WeakPolarHBondContact O-CA 3.36Å; G111-V136 PolarHBondContact O-N 2.79Å; G111-V175 WeakPolarHBondContact CA-O 3.07Å
112T97.4Very high95.7Very high5 Ų560 Ų603%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-60.9143.3178.2-175.30000112T114 M115 V175T112-T114 PolarHBondContact O-N 2.92Å; T112-T114 PolarHBondContact OG1-N 2.93Å; T112-T114 PolarHBondContact OG1-OG1 2.92Å; T112-M115 HydrophobicContact CG2-CE 3.91Å; T112-M115 HydrophobicContact CG2-CG 3.65Å; T112-M115 HydrophobicContact CG2-SD 4.19Å; T112-V175 HydrophobicContact CG2-CG1 4.21Å; T112-V175 PolarHBondContact N-O 3.36Å
113K94.9Very high95.9Very high98 Ų9856 Ų5643%0.42630%0.296SS..THydrogen-bonded Turntrans-69.6-14.1172.970177.6-173-1780114T135 V136 D137K113-T135 VanDerWaalsContact CA-CG2 3.5Å; K113-T135 HydrophobicContact CB-CG2 3.59Å; K113-V136 PolarHBondContact N-O 3.21Å; K113-D137 HydrophobicContact CD-CB 3.95Å; K113-D137 WeakPolarHBondContact CE-OD1 3.46Å; K113-D137 VanDerWaalsContact CE-OD2 3.25Å; K113-D137 WeakPolarHBondContact CE-OD2 3.39Å; K113-D137 IonicContact NZ-OD1 3.19Å; K113-D137 IonicContact NZ-OD2 2.83Å; K113-D137 PolarHBondContact NZ-OD2 3.42Å
114T94.2Very high95.9Very high80 Ų8051 Ų5149%0.49127%0.271SS..THydrogen-bonded Turntrans-85.1-6.6-171.458.80000114.2T112 E139T112-T114 PolarHBondContact O-N 2.92Å; T112-T114 PolarHBondContact OG1-N 2.93Å; T112-T114 PolarHBondContact OG1-OG1 2.92Å; T114-E139 WeakPolarHBondContact CG2-OE1 3.1Å
115M94Very high96Very high91 Ų9148.5 Ų48.545%0.44825%0.253SS..SBendtrans-140.8158.5175.371.2-177.265.100112.6T112 F117 V175T112-M115 HydrophobicContact CG2-CE 3.91Å; T112-M115 HydrophobicContact CG2-CG 3.65Å; T112-M115 HydrophobicContact CG2-SD 4.19Å; M115-F117 HydrophobicContact CG-CE1 4.49Å; M115-F117 HydrophobicContact CG-CE2 4.36Å; M115-F117 HydrophobicContact CG-CZ 4.13Å; M115-F117 HydrophobicContact SD-CE1 4.34Å; M115-F117 HydrophobicContact SD-CZ 4.37Å; M115-V175 HydrophobicContact CE-CB 4.45Å; M115-V175 HydrophobicContact CE-CG1 3.66Å; M115-V175 HydrophobicContact CE-CG2 3.97Å; M115-V175 HydrophobicContact SD-CG1 3.51Å; M115-V175 VanDerWaalsContact SD-CG1 3.51Å
116A96.5Very high96Very high98 Ų9851.2 Ų51.281%0.8127%0.265SS*.PPolyproline II helixtrans-93.4132.5173.500000110.4
117F96.9Very high95.8Very high40 Ų4054.1 Ų54.118%0.17528%0.275CS..PPolyproline II helixtrans-88.8146.7173-64.6-80.8000110.8M115 Q119 L122 L133 V175 M176M115-F117 HydrophobicContact CG-CE1 4.49Å; M115-F117 HydrophobicContact CG-CE2 4.36Å; M115-F117 HydrophobicContact CG-CZ 4.13Å; M115-F117 HydrophobicContact SD-CE1 4.34Å; M115-F117 HydrophobicContact SD-CZ 4.37Å; F117-Q119 PolarHBondContact O-N 2.82Å; F117-L122 HydrophobicContact CB-CD1 4.14Å; F117-L122 HydrophobicContact CB-CD2 3.95Å; F117-L122 HydrophobicContact CB-CG 4.1Å; F117-L133 HydrophobicContact CD2-CD1 4.36Å; F117-L133 HydrophobicContact CD2-CD2 3.77Å; F117-L133 HydrophobicContact CE2-CD1 4.43Å; F117-L133 HydrophobicContact CE2-CD2 4.44Å; F117-V175 HydrophobicContact CE1-CG1 4.32Å; F117-V175 HydrophobicContact CZ-CG1 4.27Å; F117-M176 HydrophobicContact CD1-CE 3.32Å; F117-M176 HydrophobicContact CE1-CE 3.09Å; F117-M176 HydrophobicContact CE2-CE 4.49Å; F117-M176 HydrophobicContact CG-CE 4.15Å; F117-M176 HydrophobicContact CZ-CE 3.74Å
118H95.7Very high95.5Very high159 Ų15955.2 Ų55.274%0.73628%0.279SS*.PPolyproline II helixtrans-58.8123178.6-79-77000111.3Q120 Y121 L122H118-Q120 PolarHBondContact O-N 3.42Å; H118-Q120 VanDerWaalsContact O-N 3.13Å; H118-Y121 WeakPolarHBondContact O-CB 3.42Å; H118-Y121 PolarHBondContact O-N 3.49Å; H118-L122 PolarHBondContact O-N 3.22Å; H118-L122 VanDerWaalsContact O-N 3.14Å
119Q95Very high95.4Very high135 Ų13551.9 Ų51.963%0.63127%0.266SS*.Hα-helixtrans-59.1-31.9-176.9-17059.531.500112.9F117 S123F117-Q119 PolarHBondContact O-N 2.82Å; Q119-S123 WeakPolarHBondContact O-CB 3.48Å; Q119-S123 PolarHBondContact O-N 3.3Å; Q119-S123 PolarHBondContact O-OG 3.19Å
120Q92.3Very high95.3Very high92 Ų9256.6 Ų56.643%0.4329%0.288SS..Hα-helixtrans-63.2-47.1175.2-172.71801.600111.3K76 H118 L122 S123 C124K76-Q120 WeakPolarHBondContact O-CG 3.22Å; K76-Q120 PolarHBondContact O-NE2 2.72Å; H118-Q120 PolarHBondContact O-N 3.42Å; H118-Q120 VanDerWaalsContact O-N 3.13Å; Q120-L122 PolarHBondContact O-N 3.37Å; Q120-S123 PolarHBondContact O-N 2.94Å; Q120-C124 PolarHBondContact O-N 2.71Å; Q120-C124 PolarHBondContact O-SG 2.97Å
121Y94.5Very high95.3Very high35 Ų3556.6 Ų56.614%0.13729%0.289CS..Hα-helixtrans-58.2-49.6175.9173-100000111.1M41 L44 L109 H118 S123 C124 S125 M176M41-Y121 WeakPolarHBondContact O-CE2 3.33Å; M41-Y121 PolarHBondContact O-OH 3.03Å; L44-Y121 HydrophobicContact CB-CD2 4.4Å; L44-Y121 HydrophobicContact CB-CE2 4Å; L44-Y121 HydrophobicContact CD2-CD2 4.07Å; L44-Y121 HydrophobicContact CD2-CE2 3.95Å; L44-Y121 HydrophobicContact CG-CD2 3.88Å; L44-Y121 HydrophobicContact CG-CE2 3.91Å; L109-Y121 HydrophobicContact CD1-CE1 3.75Å; H118-Y121 WeakPolarHBondContact O-CB 3.42Å; H118-Y121 PolarHBondContact O-N 3.49Å; Y121-S123 VanDerWaalsContact C-N 3.33Å; Y121-S123 PolarHBondContact O-N 3.49Å; Y121-C124 PolarHBondContact O-N 2.86Å; Y121-S125 VanDerWaalsContact O-CB 3.29Å; Y121-S125 WeakPolarHBondContact O-CB 3.3Å; Y121-S125 PolarHBondContact O-N 2.93Å; Y121-M176 HydrophobicContact CE1-CE 4.14Å; Y121-M176 HydrophobicContact CE1-SD 4.46Å
122L96.1Very high95.3Very high30 Ų3064 Ų6416%0.15732%0.316CS..Hα-helixtrans-59.3-43.3178.6-60.4-174.9000112.4L109 F117 H118 Q120 C124 S125 E126 L133L109-L122 HydrophobicContact CD1-CD2 4.3Å; F117-L122 HydrophobicContact CB-CD1 4.14Å; F117-L122 HydrophobicContact CB-CD2 3.95Å; F117-L122 HydrophobicContact CB-CG 4.1Å; H118-L122 PolarHBondContact O-N 3.22Å; H118-L122 VanDerWaalsContact O-N 3.14Å; Q120-L122 PolarHBondContact O-N 3.37Å; L122-C124 PolarHBondContact O-N 3.11Å; L122-S125 PolarHBondContact O-N 3.25Å; L122-E126 WeakPolarHBondContact O-CB 3.44Å; L122-E126 PolarHBondContact O-N 3.31Å; L122-L133 HydrophobicContact CD1-CD2 3.9Å; L122-L133 HydrophobicContact CD2-CB 3.93Å; L122-L133 HydrophobicContact CD2-CD2 3.96Å; L122-L133 HydrophobicContact CD2-CG 4.39Å
123S94.8Very high95.3Very high46 Ų4666.1 Ų66.132%0.32233%0.328SS..Hα-helixtrans-65.4-39.6179.6-56.50000111.8Q119 Q120 Y121 K127Q119-S123 WeakPolarHBondContact O-CB 3.48Å; Q119-S123 PolarHBondContact O-N 3.3Å; Q119-S123 PolarHBondContact O-OG 3.19Å; Q120-S123 PolarHBondContact O-N 2.94Å; Y121-S123 VanDerWaalsContact C-N 3.33Å; Y121-S123 PolarHBondContact O-N 3.49Å; S123-K127 VanDerWaalsContact O-CB 3.25Å; S123-K127 WeakPolarHBondContact O-CB 3.17Å; S123-K127 PolarHBondContact O-N 2.91Å
124C93.9Very high95.4Very high3 Ų364.4 Ų64.42%0.0232%0.321CS..Hα-helixtrans-74.8-36.1178.4-59.80000112.1L44 C77 Q120 Y121 L122 K127 W128L44-C124 HydrophobicContact CD1-CB 3.97Å; L44-C124 HydrophobicContact CD2-CB 4.03Å; L44-C124 HydrophobicContact CG-CB 4.5Å; C77-C124 WeakPolarHBondContact CA-SG 3.36Å; C77-C124 HydrophobicContact CB-CB 4Å; C77-C124 WeakPolarHBondContact CB-SG 3.33Å; C77-C124 WeakPolarHBondContact SG-CA 3.33Å; C77-C124 WeakPolarHBondContact SG-CB 3.29Å; C77-C124 CovalentContact SG-SG 2.04Å; C77-C124 PolarHBondContact SG-SG 3.4Å; Q120-C124 PolarHBondContact O-N 2.71Å; Q120-C124 PolarHBondContact O-SG 2.97Å; Y121-C124 PolarHBondContact O-N 2.86Å; L122-C124 PolarHBondContact O-N 3.11Å; C124-K127 PolarHBondContact O-N 3.37Å; C124-W128 PolarHBondContact O-N 3.05Å
125S95.8Very high95.6Very high0 Ų064.9 Ų64.90%032%0.324CS..Hα-helixtrans-60.7-48.9173.7176.40000111.4L109 Y121 L122 K127 Y129 Q130 A131L109-S125 WeakPolarHBondContact CD1-OG 3.19Å; Y121-S125 VanDerWaalsContact O-CB 3.29Å; Y121-S125 WeakPolarHBondContact O-CB 3.3Å; Y121-S125 PolarHBondContact O-N 2.93Å; L122-S125 PolarHBondContact O-N 3.25Å; S125-K127 PolarHBondContact O-N 3.49Å; S125-Y129 WeakPolarHBondContact O-CA 3.43Å; S125-Y129 VanDerWaalsContact O-CB 3.3Å; S125-Y129 WeakPolarHBondContact O-CB 3.24Å; S125-Y129 PolarHBondContact O-N 2.83Å; S125-Q130 PolarHBondContact O-N 3.4Å; S125-A131 PolarHBondContact O-N 3.26Å; S125-A131 WeakPolarHBondContact OG-CB 3.42Å; S125-A131 PolarHBondContact OG-O 2.96Å
126E95.9Very high95.8Very high71 Ų7161.2 Ų61.233%0.33231%0.306SS..Hα-helixtrans-64.2-42.5176.2-176171.3179.800111.6L122 Q130 R132L122-E126 WeakPolarHBondContact O-CB 3.44Å; L122-E126 PolarHBondContact O-N 3.31Å; E126-Q130 WeakPolarHBondContact O-CA 3.07Å; E126-Q130 PolarHBondContact O-N 3.24Å; E126-Q130 PolarHBondContact O-NE2 2.91Å; E126-R132 HydrophobicContact CG-CG 3.96Å; E126-R132 IonicContact OE1-CZ 2.94Å; E126-R132 IonicContact OE1-NE 3.62Å; E126-R132 PolarHBondContact OE1-NE 3.32Å; E126-R132 IonicContact OE1-NH2 3.38Å; E126-R132 PolarHBondContact OE1-NH2 2.78Å; E126-R132 IonicContact OE2-NE 3.68Å
127K93.1Very high95.8Very high76 Ų7657.5 Ų57.533%0.3327%0.273SS..Hα-helixtrans-61-50.6-179.1-175.9-174.9-179.3-163.10112.6S123 C124 S125S123-K127 VanDerWaalsContact O-CB 3.25Å; S123-K127 WeakPolarHBondContact O-CB 3.17Å; S123-K127 PolarHBondContact O-N 2.91Å; C124-K127 PolarHBondContact O-N 3.37Å; S125-K127 PolarHBondContact O-N 3.49Å
128W92.6Very high95.8Very high31 Ų3155.6 Ų55.612%0.11727%0.265CS..Hα-helixtrans-95.5-27.4-168.4-62.7138.1000114.1D73 H84 G88 C124D73-W128 VanDerWaalsContact OD1-CZ2 3.24Å; D73-W128 WeakPolarHBondContact OD1-CZ2 3.46Å; H84-W128 HydrophobicContact CB-CB 4.26Å; H84-W128 HydrophobicContact CB-CG 4.02Å; H84-W128 WeakPolarHBondContact O-CB 3.41Å; G88-W128 WeakPolarHBondContact CA-O 3.49Å; G88-W128 PolarHBondContact N-O 3.25Å; C124-W128 PolarHBondContact O-N 3.05Å
129Y95.8Very high95.8Very high0 Ų053 Ų530%025%0.253CS..Hα-helixtrans-114.3-5.4-176.3-61.5-75.5000112.8Y37 S40 M41 L44 H84 F87 N107 S125 A131Y37-Y129 AromaticContact CD1-CD1 3.65Å; Y37-Y129 HydrophobicContact CD1-CD1 3.65Å; Y37-Y129 HydrophobicContact CD1-CE1 4.07Å; Y37-Y129 HydrophobicContact CE1-CD1 4Å; Y37-Y129 HydrophobicContact CE1-CE1 4.42Å; S40-Y129 WeakPolarHBondContact CB-OH 3.27Å; M41-Y129 HydrophobicContact CG-CD1 3.85Å; M41-Y129 HydrophobicContact CG-CD2 3.66Å; M41-Y129 HydrophobicContact CG-CE1 4.26Å; M41-Y129 HydrophobicContact CG-CE2 4.1Å; M41-Y129 HydrophobicContact CG-CG 3.52Å; M41-Y129 HydrophobicContact SD-CG 4.11Å; L44-Y129 HydrophobicContact CD2-CD2 4.4Å; L44-Y129 HydrophobicContact CD2-CE2 4.26Å; H84-Y129 HydrophobicContact CB-CE2 4.35Å; H84-Y129 AromaticContact ND1-CE2 3.55Å; H84-Y129 AromaticContact ND1-CZ 3.52Å; H84-Y129 PolarHBondContact ND1-OH 3.27Å; F87-Y129 HydrophobicContact CB-CD1 4.15Å; F87-Y129 HydrophobicContact CB-CE1 3.52Å; F87-Y129 AromaticContact CD1-CE1 3.85Å; F87-Y129 HydrophobicContact CD1-CE1 3.85Å; F87-Y129 AromaticContact CD2-CE1 3.98Å; F87-Y129 HydrophobicContact CD2-CE1 3.98Å; F87-Y129 VanDerWaalsContact CD2-OH 3.3Å; F87-Y129 WeakPolarHBondContact CD2-OH 3.24Å; F87-Y129 HydrophobicContact CG-CD1 4.48Å; F87-Y129 AromaticContact CG-CE1 3.53Å; F87-Y129 HydrophobicContact CG-CE1 3.53Å; N107-Y129 WeakPolarHBondContact CB-O 3.09Å; N107-Y129 PolarHBondContact ND2-O 2.7Å; S125-Y129 WeakPolarHBondContact O-CA 3.43Å; S125-Y129 VanDerWaalsContact O-CB 3.3Å; S125-Y129 WeakPolarHBondContact O-CB 3.24Å; S125-Y129 PolarHBondContact O-N 2.83Å; Y129-A131 PolarHBondContact O-N 3.33Å; Y129-A131 VanDerWaalsContact O-N 3.11Å
130Q96.3Very high95.9Very high98 Ų9853.7 Ų53.746%0.45826%0.256SS..  trans53.326.3-167.9-61-64.4-49.300112F91 S125 E126 R132F91-Q130 HydrophobicContact CD1-CB 4.34Å; F91-Q130 HydrophobicContact CD1-CG 3.69Å; F91-Q130 HydrophobicContact CE1-CB 3.7Å; F91-Q130 HydrophobicContact CE1-CG 3.33Å; F91-Q130 HydrophobicContact CE2-CB 4.12Å; F91-Q130 HydrophobicContact CE2-CG 4.5Å; F91-Q130 HydrophobicContact CG-CG 4.44Å; F91-Q130 HydrophobicContact CZ-CB 3.56Å; F91-Q130 HydrophobicContact CZ-CG 3.79Å; S125-Q130 PolarHBondContact O-N 3.4Å; E126-Q130 WeakPolarHBondContact O-CA 3.07Å; E126-Q130 PolarHBondContact O-N 3.24Å; E126-Q130 PolarHBondContact O-NE2 2.91Å; Q130-R132 PolarHBondContact O-N 3.47Å
131A97.6Very high96.1Very high1 Ų151.3 Ų51.31%0.00825%0.249CC..  trans-95.992.9-175.300000109.8M41 N107 L109 S125 Y129M41-A131 HydrophobicContact SD-CB 3.41Å; M41-A131 WeakPolarHBondContact SD-CB 3.32Å; N107-A131 HydrophobicContact CB-CB 3.61Å; L109-A131 HydrophobicContact CG-CB 4.27Å; S125-A131 PolarHBondContact O-N 3.26Å; S125-A131 WeakPolarHBondContact OG-CB 3.42Å; S125-A131 PolarHBondContact OG-O 2.96Å; Y129-A131 PolarHBondContact O-N 3.33Å; Y129-A131 VanDerWaalsContact O-N 3.11Å
132R97.1Very high96.2Very high154 Ų15450.8 Ų50.858%0.58125%0.25SC*.EExtended strand (participates in β ladder)trans-76.8146.7173.2-71.5-177.4174.2172.20.5111.2L109 E126 Q130L109-R132 PolarHBondContact N-O 2.84Å; E126-R132 HydrophobicContact CG-CG 3.96Å; E126-R132 IonicContact OE1-CZ 2.94Å; E126-R132 IonicContact OE1-NE 3.62Å; E126-R132 PolarHBondContact OE1-NE 3.32Å; E126-R132 IonicContact OE1-NH2 3.38Å; E126-R132 PolarHBondContact OE1-NH2 2.78Å; E126-R132 IonicContact OE2-NE 3.68Å; Q130-R132 PolarHBondContact O-N 3.47Å
133L98.1Very high96.3Very high51 Ų5152.3 Ų52.327%0.26726%0.256SS..EExtended strand (participates in β ladder)trans-76129.2168.8-178.169.4000110.8L109 F117 L122L109-L133 HydrophobicContact CB-CD1 3.96Å; L109-L133 CarbonylContact O-C 3.16Å; L109-L133 WeakPolarHBondContact O-CA 3.16Å; F117-L133 HydrophobicContact CD2-CD1 4.36Å; F117-L133 HydrophobicContact CD2-CD2 3.77Å; F117-L133 HydrophobicContact CE2-CD1 4.43Å; F117-L133 HydrophobicContact CE2-CD2 4.44Å; L122-L133 HydrophobicContact CD1-CD2 3.9Å; L122-L133 HydrophobicContact CD2-CB 3.93Å; L122-L133 HydrophobicContact CD2-CD2 3.96Å; L122-L133 HydrophobicContact CD2-CG 4.39Å
134Q98Very high96.4Very high61 Ų6155.2 Ų55.229%0.28527%0.265SS..EExtended strand (participates in β ladder)trans-109.4116.7160.8-178.2172.7-16.300108.4L109 Y110 G111 V136L109-Q134 PolarHBondContact O-N 3.24Å; Y110-Q134 VanDerWaalsContact CA-O 3.32Å; Y110-Q134 WeakPolarHBondContact CA-O 3.32Å; Y110-Q134 HydrophobicContact CD1-CB 3.87Å; Y110-Q134 HydrophobicContact CD1-CG 4.12Å; Y110-Q134 HydrophobicContact CE1-CB 4.04Å; Y110-Q134 HydrophobicContact CE1-CG 4.15Å; Y110-Q134 VanDerWaalsContact CE1-OE1 3.23Å; G111-Q134 PolarHBondContact N-O 3.32Å; G111-Q134 VanDerWaalsContact N-O 3.09Å; Q134-V136 HydrophobicContact CG-CG1 4.18Å
135T97.9Very high96.5Very high90 Ų9055.4 Ų55.455%0.55227%0.266SS*.EExtended strand (participates in β ladder)trans-71.5130.3174-53.90000109.8G111 K113G111-T135 WeakPolarHBondContact O-CA 3.36Å; K113-T135 VanDerWaalsContact CA-CG2 3.5Å; K113-T135 HydrophobicContact CB-CG2 3.59Å
136V97.6Very high96.7Very high14 Ų1456.2 Ų56.29%0.08527%0.269CS..EExtended strand (participates in β ladder)trans-134.1168-179-65.60000111.2Y110 G111 K113 Q134 F138 T145Y110-V136 HydrophobicContact CD1-CG1 3.76Å; G111-V136 PolarHBondContact O-N 2.79Å; K113-V136 PolarHBondContact N-O 3.21Å; Q134-V136 HydrophobicContact CG-CG1 4.18Å; V136-F138 HydrophobicContact CG2-CD1 4.27Å; V136-F138 HydrophobicContact CG2-CD2 3.98Å; V136-F138 HydrophobicContact CG2-CE1 3.81Å; V136-F138 HydrophobicContact CG2-CE2 3.49Å; V136-F138 VanDerWaalsContact CG2-CE2 3.49Å; V136-F138 HydrophobicContact CG2-CG 4.36Å; V136-F138 HydrophobicContact CG2-CZ 3.39Å; V136-T145 HydrophobicContact CB-CG2 3.69Å; V136-T145 HydrophobicContact CG1-CG2 4.09Å; V136-T145 HydrophobicContact CG2-CG2 3.66Å
137D97.3Very high96.8Very high21 Ų2158.5 Ų58.511%0.11228%0.278CS..  trans-113.588.2-178.6-173.8-1000109.9K113 E139 Q140 S141 T145K113-D137 HydrophobicContact CD-CB 3.95Å; K113-D137 WeakPolarHBondContact CE-OD1 3.46Å; K113-D137 VanDerWaalsContact CE-OD2 3.25Å; K113-D137 WeakPolarHBondContact CE-OD2 3.39Å; K113-D137 IonicContact NZ-OD1 3.19Å; K113-D137 IonicContact NZ-OD2 2.83Å; K113-D137 PolarHBondContact NZ-OD2 3.42Å; D137-E139 VanDerWaalsContact C-N 3.27Å; D137-E139 PolarHBondContact O-N 2.89Å; D137-E139 PolarHBondContact OD1-N 3.41Å; D137-Q140 PolarHBondContact OD1-N 2.99Å; D137-Q140 WeakPolarHBondContact OD2-CB 3.35Å; D137-S141 CarbonylContact O-C 3.57Å; D137-S141 WeakPolarHBondContact O-CA 3.36Å; D137-S141 PolarHBondContact O-N 3.1Å; D137-T145 PolarHBondContact O-OG1 3.03Å
138F97.3Very high97Very high0 Ų057.8 Ų57.80%028%0.28CS..THydrogen-bonded Turntrans-68-28.7177.6-66.5-63.4000112V136 T142 T145 I149 I170 P172 S174 V177V136-F138 HydrophobicContact CG2-CD1 4.27Å; V136-F138 HydrophobicContact CG2-CD2 3.98Å; V136-F138 HydrophobicContact CG2-CE1 3.81Å; V136-F138 HydrophobicContact CG2-CE2 3.49Å; V136-F138 VanDerWaalsContact CG2-CE2 3.49Å; V136-F138 HydrophobicContact CG2-CG 4.36Å; V136-F138 HydrophobicContact CG2-CZ 3.39Å; F138-T142 VanDerWaalsContact O-CB 3.31Å; F138-T142 WeakPolarHBondContact O-CB 3.25Å; F138-T142 PolarHBondContact O-OG1 3.43Å; F138-T145 HydrophobicContact CD1-CG2 3.63Å; F138-T145 HydrophobicContact CE1-CG2 3.42Å; F138-T145 VanDerWaalsContact CE1-CG2 3.42Å; F138-T145 HydrophobicContact CZ-CG2 4.3Å; F138-I149 HydrophobicContact CE1-CD1 4.42Å; F138-I170 HydrophobicContact CD1-CG2 3.46Å; F138-I170 VanDerWaalsContact CD1-CG2 3.46Å; F138-I170 HydrophobicContact CE1-CG2 3.66Å; F138-P172 WeakPolarHBondContact O-CA 3.44Å; F138-S174 WeakPolarHBondContact CD2-O 3.4Å; F138-S174 WeakPolarHBondContact CG-O 3.45Å; F138-V177 HydrophobicContact CE1-CG2 3.94Å; F138-V177 HydrophobicContact CZ-CB 4.41Å; F138-V177 HydrophobicContact CZ-CG2 3.78Å
139E95.7Very high97.2Very high104 Ų10456.3 Ų56.349%0.48627%0.274SS..THydrogen-bonded Turntrans-79.6-50.3-173.6-70.6176.6-149.800113.3T114 D137 P172T114-E139 WeakPolarHBondContact CG2-OE1 3.1Å; D137-E139 VanDerWaalsContact C-N 3.27Å; D137-E139 PolarHBondContact O-N 2.89Å; D137-E139 PolarHBondContact OD1-N 3.41Å; E139-P172 VanDerWaalsContact CG-O 3.3Å; E139-P172 WeakPolarHBondContact CG-O 3.32Å
140Q96.6Very high97.4Very high150 Ų15056.5 Ų56.570%0.70128%0.275SS*.THydrogen-bonded Turntrans-101.3-17.8-173.3-52.9178.6-29.300113D137D137-Q140 PolarHBondContact OD1-N 2.99Å; D137-Q140 WeakPolarHBondContact OD2-CB 3.35Å
141S96.5Very high97.5Very high41 Ų4154.5 Ų54.529%0.28728%0.275SS..SBendtrans-132.342.2-175.6-51.80000111.4D137 E143 E144 T145D137-S141 CarbonylContact O-C 3.57Å; D137-S141 WeakPolarHBondContact O-CA 3.36Å; D137-S141 PolarHBondContact O-N 3.1Å; S141-E143 PolarHBondContact O-N 3.05Å; S141-E144 PolarHBondContact O-N 2.95Å; S141-T145 VanDerWaalsContact O-CB 3.27Å; S141-T145 WeakPolarHBondContact O-CB 3.25Å; S141-T145 PolarHBondContact O-N 2.7Å; S141-T145 PolarHBondContact O-OG1 2.76Å
142T96.6Very high97.5Very high24 Ų2455.8 Ų55.815%0.14728%0.28CS..Hα-helixtrans-58.3-47.7-173.2-35.30000112.5F138 T145 R146 I170F138-T142 VanDerWaalsContact O-CB 3.31Å; F138-T142 WeakPolarHBondContact O-CB 3.25Å; F138-T142 PolarHBondContact O-OG1 3.43Å; T142-T145 PolarHBondContact O-N 3.36Å; T142-R146 WeakPolarHBondContact O-CB 3.37Å; T142-R146 PolarHBondContact O-N 3.31Å; T142-I170 HydrophobicContact CG2-CG2 4.07Å; T142-I170 VanDerWaalsContact CG2-O 3.3Å; T142-I170 WeakPolarHBondContact CG2-O 3.47Å
143E97.1Very high97.5Very high62 Ų6248.6 Ų48.629%0.2925%0.253SS..Hα-helixtrans-71.7-37.3-177.7-83.4-61.9138.800112.2S141 R146 K147S141-E143 PolarHBondContact O-N 3.05Å; E143-R146 PolarHBondContact O-N 3.4Å; E143-R146 IonicContact OE1-NE 4Å; E143-R146 IonicContact OE2-CZ 3.27Å; E143-R146 IonicContact OE2-NE 2.75Å; E143-R146 PolarHBondContact OE2-NE 3.32Å; E143-R146 IonicContact OE2-NH2 3.3Å; E143-R146 PolarHBondContact OE2-NH2 3.45Å; E143-K147 VanDerWaalsContact O-CG 3.3Å; E143-K147 WeakPolarHBondContact O-CG 3.5Å; E143-K147 PolarHBondContact O-N 3.16Å
144E97.1Very high97.5Very high107 Ų10750.1 Ų50.150%0.526%0.259SS..Hα-helixtrans-61.9-46.4171.8-6967-149.600110.4S141 R146 K147 T148S141-E144 PolarHBondContact O-N 2.95Å; E144-R146 PolarHBondContact O-N 3.43Å; E144-K147 PolarHBondContact O-N 3.27Å; E144-T148 PolarHBondContact O-N 3.27Å; E144-T148 PolarHBondContact O-OG1 3.49Å; E144-T148 VanDerWaalsContact O-OG1 3.12Å
145T97.6Very high97.5Very high7 Ų752.7 Ų52.74%0.04328%0.275CS..Hα-helixtrans-58.7-48176.4-65.30000110.8V136 D137 F138 S141 T142 K147 T148 I149V136-T145 HydrophobicContact CB-CG2 3.69Å; V136-T145 HydrophobicContact CG1-CG2 4.09Å; V136-T145 HydrophobicContact CG2-CG2 3.66Å; D137-T145 PolarHBondContact O-OG1 3.03Å; F138-T145 HydrophobicContact CD1-CG2 3.63Å; F138-T145 HydrophobicContact CE1-CG2 3.42Å; F138-T145 VanDerWaalsContact CE1-CG2 3.42Å; F138-T145 HydrophobicContact CZ-CG2 4.3Å; S141-T145 VanDerWaalsContact O-CB 3.27Å; S141-T145 WeakPolarHBondContact O-CB 3.25Å; S141-T145 PolarHBondContact O-N 2.7Å; S141-T145 PolarHBondContact O-OG1 2.76Å; T142-T145 PolarHBondContact O-N 3.36Å; T145-K147 VanDerWaalsContact C-N 3.34Å; T145-K147 PolarHBondContact O-N 2.94Å; T145-T148 WeakPolarHBondContact O-CB 3.45Å; T145-T148 PolarHBondContact O-N 2.9Å; T145-T148 VanDerWaalsContact O-N 3.16Å; T145-I149 HydrophobicContact CG2-CD1 4.04Å; T145-I149 WeakPolarHBondContact O-CG1 3.48Å; T145-I149 PolarHBondContact O-N 3.48Å
146R98Very high97.4Very high18 Ų1852.4 Ų52.47%0.06827%0.266CS..Hα-helixtrans-56.9-45.4175.2-173.1-166.163.877.96112.1T142 E143 E144 I149 N150 F165 G166 I170T142-R146 WeakPolarHBondContact O-CB 3.37Å; T142-R146 PolarHBondContact O-N 3.31Å; E143-R146 PolarHBondContact O-N 3.4Å; E143-R146 IonicContact OE1-NE 4Å; E143-R146 IonicContact OE2-CZ 3.27Å; E143-R146 IonicContact OE2-NE 2.75Å; E143-R146 PolarHBondContact OE2-NE 3.32Å; E143-R146 IonicContact OE2-NH2 3.3Å; E143-R146 PolarHBondContact OE2-NH2 3.45Å; E144-R146 PolarHBondContact O-N 3.43Å; R146-I149 PolarHBondContact O-N 3.28Å; R146-N150 PolarHBondContact NH1-ND2 3.47Å; R146-N150 WeakPolarHBondContact O-CB 3.4Å; R146-N150 PolarHBondContact O-N 3.1Å; R146-F165 HydrophobicContact CG-CB 3.92Å; R146-F165 PolarHBondContact NH1-O 2.68Å; R146-G166 WeakPolarHBondContact CD-O 3.33Å; R146-I170 HydrophobicContact CB-CD1 4.11Å; R146-I170 HydrophobicContact CG-CD1 4.14Å
147K97.9Very high97.4Very high118 Ų11852.5 Ų52.551%0.51327%0.266SS..Hα-helixtrans-63.4-41.1176.4-72.3170.8-173.9170.50111.9E143 E144 T145 N150 A151E143-K147 VanDerWaalsContact O-CG 3.3Å; E143-K147 WeakPolarHBondContact O-CG 3.5Å; E143-K147 PolarHBondContact O-N 3.16Å; E144-K147 PolarHBondContact O-N 3.27Å; T145-K147 VanDerWaalsContact C-N 3.34Å; T145-K147 PolarHBondContact O-N 2.94Å; K147-N150 PolarHBondContact O-N 3.36Å; K147-A151 VanDerWaalsContact O-CB 3.27Å; K147-A151 WeakPolarHBondContact O-CB 3.4Å; K147-A151 PolarHBondContact O-N 2.81Å
148T97.8Very high97.3Very high61 Ų6157.3 Ų57.337%0.37429%0.292SS..Hα-helixtrans-59.8-46175.5-64.90000111.4Y110 E144 T145 A151 W152Y110-T148 HydrophobicContact CE1-CG2 4.44Å; E144-T148 PolarHBondContact O-N 3.27Å; E144-T148 PolarHBondContact O-OG1 3.49Å; E144-T148 VanDerWaalsContact O-OG1 3.12Å; T145-T148 WeakPolarHBondContact O-CB 3.45Å; T145-T148 PolarHBondContact O-N 2.9Å; T145-T148 VanDerWaalsContact O-N 3.16Å; T148-A151 PolarHBondContact O-N 3.1Å; T148-W152 PolarHBondContact O-N 3.22Å; T148-W152 VanDerWaalsContact O-N 3.09Å
149I98.1Very high97.2Very high0 Ų059.3 Ų59.30%031%0.313CS..Hα-helixtrans-63.7-48.6178.9-63175.3000110.4Y110 F138 T145 R146 A151 W152 V153 F165 I170 V177 V179Y110-I149 HydrophobicContact CD1-CD1 4.2Å; Y110-I149 HydrophobicContact CD1-CG1 3.74Å; Y110-I149 HydrophobicContact CD2-CD1 3.89Å; Y110-I149 HydrophobicContact CD2-CG1 3.7Å; Y110-I149 HydrophobicContact CD2-CG2 4.27Å; Y110-I149 HydrophobicContact CE1-CG1 3.73Å; Y110-I149 HydrophobicContact CE2-CB 4.22Å; Y110-I149 HydrophobicContact CE2-CD1 4.39Å; Y110-I149 HydrophobicContact CE2-CG1 3.72Å; Y110-I149 HydrophobicContact CE2-CG2 3.9Å; Y110-I149 HydrophobicContact CG-CD1 3.77Å; Y110-I149 HydrophobicContact CG-CG1 3.69Å; F138-I149 HydrophobicContact CE1-CD1 4.42Å; T145-I149 HydrophobicContact CG2-CD1 4.04Å; T145-I149 WeakPolarHBondContact O-CG1 3.48Å; T145-I149 PolarHBondContact O-N 3.48Å; R146-I149 PolarHBondContact O-N 3.28Å; I149-A151 PolarHBondContact O-N 3.25Å; I149-W152 WeakPolarHBondContact O-CB 3.3Å; I149-W152 PolarHBondContact O-N 3.36Å; I149-V153 WeakPolarHBondContact O-CG2 3.36Å; I149-V153 PolarHBondContact O-N 2.98Å; I149-F165 HydrophobicContact CG2-CD2 3.78Å; I149-F165 HydrophobicContact CG2-CE2 3.65Å; I149-I170 HydrophobicContact CD1-CD1 3.68Å; I149-V177 HydrophobicContact CD1-CB 4.21Å; I149-V177 HydrophobicContact CD1-CG1 4.27Å; I149-V177 HydrophobicContact CD1-CG2 4.37Å; I149-V179 HydrophobicContact CG2-CG2 3.88Å
150N98.3Very high97.3Very high5 Ų563 Ų633%0.02733%0.327CS..Hα-helixtrans-60.9-43.2178.7-77-15.6000112.7R146 K147 W152 V153 E154 L164 F165R146-N150 PolarHBondContact NH1-ND2 3.47Å; R146-N150 WeakPolarHBondContact O-CB 3.4Å; R146-N150 PolarHBondContact O-N 3.1Å; K147-N150 PolarHBondContact O-N 3.36Å; N150-W152 VanDerWaalsContact C-N 3.27Å; N150-W152 PolarHBondContact O-N 2.04Å; N150-V153 PolarHBondContact O-N 2.96Å; N150-E154 VanDerWaalsContact O-CB 3.32Å; N150-E154 WeakPolarHBondContact O-CB 3.42Å; N150-E154 PolarHBondContact O-N 3.07Å; N150-L164 PolarHBondContact OD1-N 3.46Å; N150-F165 PolarHBondContact ND2-O 3.15Å; N150-F165 PolarHBondContact OD1-N 3.46Å
151A98.3Very high97.2Very high55 Ų5558.6 Ų58.646%0.45531%0.311SS..Hα-helixtrans-63.2-35.617800000112K147 T148 I149 N155K147-A151 VanDerWaalsContact O-CB 3.27Å; K147-A151 WeakPolarHBondContact O-CB 3.4Å; K147-A151 PolarHBondContact O-N 2.81Å; T148-A151 PolarHBondContact O-N 3.1Å; I149-A151 PolarHBondContact O-N 3.25Å; A151-N155 WeakPolarHBondContact O-CB 3.47Å; A151-N155 PolarHBondContact O-N 2.82Å
152W98.3Very high97.1Very high29 Ų2958.9 Ų58.911%0.1132%0.315CS..Hα-helixtrans-66.9-45.1174.4-17983.1000112A106 R108 Y110 T148 I149 N150 N155 K156 V179 A181A106-W152 HydrophobicContact CB-CH2 3.82Å; A106-W152 HydrophobicContact CB-CZ2 3.99Å; R108-W152 HydrophobicContact CB-CD2 4.44Å; R108-W152 HydrophobicContact CB-CE3 4.39Å; R108-W152 HydrophobicContact CB-CH2 3.62Å; R108-W152 HydrophobicContact CB-CZ2 3.66Å; R108-W152 HydrophobicContact CB-CZ3 4.01Å; Y110-W152 WeakPolarHBondContact OH-CB 3.03Å; Y110-W152 VanDerWaalsContact OH-CG 3.28Å; T148-W152 PolarHBondContact O-N 3.22Å; T148-W152 VanDerWaalsContact O-N 3.09Å; I149-W152 WeakPolarHBondContact O-CB 3.3Å; I149-W152 PolarHBondContact O-N 3.36Å; N150-W152 VanDerWaalsContact C-N 3.27Å; N150-W152 PolarHBondContact O-N 2.04Å; W152-N155 PolarHBondContact O-N 3.49Å; W152-K156 HydrophobicContact CD2-CG 4.06Å; W152-K156 HydrophobicContact CE3-CG 4.39Å; W152-K156 HydrophobicContact CH2-CG 4.13Å; W152-K156 HydrophobicContact CZ2-CD 4.47Å; W152-K156 HydrophobicContact CZ2-CG 3.78Å; W152-K156 HydrophobicContact CZ3-CG 4.41Å; W152-K156 WeakPolarHBondContact O-CG 3.08Å; W152-K156 PolarHBondContact O-N 3.43Å; W152-V179 HydrophobicContact CE3-CG1 4.31Å; W152-V179 HydrophobicContact CZ3-CB 4.14Å; W152-V179 HydrophobicContact CZ3-CG1 3.81Å; W152-A181 HydrophobicContact CZ3-CB 4.26Å
153V97.9Very high97Very high3 Ų363 Ų632%0.01834%0.336CS..Hα-helixtrans-62.1-46.5176.6173.70000111.1I149 N150 N155 K156 T157 V161 L164 V179 A181I149-V153 WeakPolarHBondContact O-CG2 3.36Å; I149-V153 PolarHBondContact O-N 2.98Å; N150-V153 PolarHBondContact O-N 2.96Å; V153-N155 VanDerWaalsContact C-N 3.29Å; V153-N155 PolarHBondContact O-N 3.04Å; V153-K156 PolarHBondContact O-N 3.37Å; V153-K156 VanDerWaalsContact O-N 3.13Å; V153-T157 HydrophobicContact CG1-CG2 4.27Å; V153-T157 WeakPolarHBondContact O-CB 3.42Å; V153-T157 WeakPolarHBondContact O-CG2 3.44Å; V153-T157 PolarHBondContact O-N 3.17Å; V153-T157 PolarHBondContact O-OG1 3.05Å; V153-V161 HydrophobicContact CG1-CB 4.01Å; V153-V161 HydrophobicContact CG1-CG1 3.82Å; V153-L164 HydrophobicContact CG1-CB 4.26Å; V153-L164 HydrophobicContact CG1-CD2 4.24Å; V153-L164 HydrophobicContact CG2-CD2 3.88Å; V153-V179 HydrophobicContact CG2-CG1 3.47Å; V153-V179 VanDerWaalsContact CG2-CG1 3.47Å; V153-A181 HydrophobicContact CG1-CB 4.16Å
154E98.2Very high97Very high82 Ų8263.9 Ų63.938%0.38334%0.343SS..Hα-helixtrans-59.3-42.8178.8-172.8175.9-178.600110.8N150 T157 N158 G159 V161 A162N150-E154 VanDerWaalsContact O-CB 3.32Å; N150-E154 WeakPolarHBondContact O-CB 3.42Å; N150-E154 PolarHBondContact O-N 3.07Å; E154-T157 PolarHBondContact O-N 2.86Å; E154-T157 PolarHBondContact O-OG1 3.27Å; E154-N158 PolarHBondContact O-N 3.21Å; E154-G159 WeakPolarHBondContact O-CA 3.39Å; E154-G159 PolarHBondContact O-N 3.31Å; E154-V161 VanDerWaalsContact CA-O 3.28Å; E154-V161 WeakPolarHBondContact CA-O 3.25Å; E154-V161 PolarHBondContact N-O 2.92Å; E154-A162 HydrophobicContact CG-CB 4.31Å
155N97.8Very high96.9Very high115 Ų11560.8 Ų60.862%0.61533%0.328SS*.Hα-helixtrans-61.8-46.7174-176-71.6000112.2A151 W152 V153 T157 N158A151-N155 WeakPolarHBondContact O-CB 3.47Å; A151-N155 PolarHBondContact O-N 2.82Å; W152-N155 PolarHBondContact O-N 3.49Å; V153-N155 VanDerWaalsContact C-N 3.29Å; V153-N155 PolarHBondContact O-N 3.04Å; N155-T157 VanDerWaalsContact C-N 3.27Å; N155-T157 PolarHBondContact O-N 3.2Å; N155-N158 PolarHBondContact O-N 3.16Å
156K96.3Very high96.8Very high85 Ų8562 Ų6237%0.3734%0.342SS..Hα-helixtrans-68.6-24.5-178.5-68.9-53.2-177.1-174.30114.3A106 W152 V153 A181A106-K156 HydrophobicContact CB-CB 4.08Å; A106-K156 HydrophobicContact CB-CD 3.9Å; A106-K156 HydrophobicContact CB-CG 3.78Å; W152-K156 HydrophobicContact CD2-CG 4.06Å; W152-K156 HydrophobicContact CE3-CG 4.39Å; W152-K156 HydrophobicContact CH2-CG 4.13Å; W152-K156 HydrophobicContact CZ2-CD 4.47Å; W152-K156 HydrophobicContact CZ2-CG 3.78Å; W152-K156 HydrophobicContact CZ3-CG 4.41Å; W152-K156 WeakPolarHBondContact O-CG 3.08Å; W152-K156 PolarHBondContact O-N 3.43Å; V153-K156 PolarHBondContact O-N 3.37Å; V153-K156 VanDerWaalsContact O-N 3.13Å; K156-A181 HydrophobicContact CB-CB 4.19Å
157T95.9Very high96.6Very high15 Ų1569.2 Ų69.29%0.09237%0.374CS..THydrogen-bonded Turntrans-98.814.1177.860.20000113V153 E154 N155 G159 K160 V161 A181V153-T157 HydrophobicContact CG1-CG2 4.27Å; V153-T157 WeakPolarHBondContact O-CB 3.42Å; V153-T157 WeakPolarHBondContact O-CG2 3.44Å; V153-T157 PolarHBondContact O-N 3.17Å; V153-T157 PolarHBondContact O-OG1 3.05Å; E154-T157 PolarHBondContact O-N 2.86Å; E154-T157 PolarHBondContact O-OG1 3.27Å; N155-T157 VanDerWaalsContact C-N 3.27Å; N155-T157 PolarHBondContact O-N 3.2Å; T157-G159 PolarHBondContact O-N 3.5Å; T157-K160 VanDerWaalsContact O-CB 3.27Å; T157-K160 WeakPolarHBondContact O-CB 3.14Å; T157-K160 VanDerWaalsContact O-CG 3.23Å; T157-K160 WeakPolarHBondContact O-CG 3.19Å; T157-K160 PolarHBondContact O-N 2.98Å; T157-V161 HydrophobicContact CG2-CB 3.95Å; T157-V161 HydrophobicContact CG2-CG2 3.89Å; T157-V161 PolarHBondContact OG1-N 3.18Å; T157-A181 HydrophobicContact CG2-CB 3.97Å
158N95.5Very high96.3Very high122 Ų12268.7 Ų68.765%0.65239%0.385SS*.THydrogen-bonded Turntrans5340.6-177.8-57.6-61.5000112.9E154 N155 K160E154-N158 PolarHBondContact O-N 3.21Å; N155-N158 PolarHBondContact O-N 3.16Å; N158-K160 VanDerWaalsContact C-N 3.3Å; N158-K160 PolarHBondContact O-N 2.76Å
159G96.6Very high96.1Very high42 Ų4270 Ų7043%0.43339%0.393SS..THydrogen-bonded Turntrans78.54.118000000115.2E154 T157E154-G159 WeakPolarHBondContact O-CA 3.39Å; E154-G159 PolarHBondContact O-N 3.31Å; T157-G159 PolarHBondContact O-N 3.5Å
160K95.9Very high96Very high181 Ų18170.4 Ų70.479%0.78740%0.395SS*.SBendtrans-77.8-34.3-176.2-63.5-63.9-175.6178.60113.4T157 N158T157-K160 VanDerWaalsContact O-CB 3.27Å; T157-K160 WeakPolarHBondContact O-CB 3.14Å; T157-K160 VanDerWaalsContact O-CG 3.23Å; T157-K160 WeakPolarHBondContact O-CG 3.19Å; T157-K160 PolarHBondContact O-N 2.98Å; N158-K160 VanDerWaalsContact C-N 3.3Å; N158-K160 PolarHBondContact O-N 2.76Å
161V95.9Very high95.8Very high59 Ų5973.1 Ų73.136%0.35841%0.41SS..SBendtrans-112.192176.4-175.80000108.4V153 E154 T157 L164V153-V161 HydrophobicContact CG1-CB 4.01Å; V153-V161 HydrophobicContact CG1-CG1 3.82Å; E154-V161 VanDerWaalsContact CA-O 3.28Å; E154-V161 WeakPolarHBondContact CA-O 3.25Å; E154-V161 PolarHBondContact N-O 2.92Å; T157-V161 HydrophobicContact CG2-CB 3.95Å; T157-V161 HydrophobicContact CG2-CG2 3.89Å; T157-V161 PolarHBondContact OG1-N 3.18Å; V161-L164 HydrophobicContact CG1-CB 4.26Å; V161-L164 HydrophobicContact CG1-CD1 4.19Å
162A94.8Very high95.7Very high47 Ų4773.9 Ų73.939%0.38841%0.41SS..  trans-95.2146.9171.900000110E154 L164E154-A162 HydrophobicContact CG-CB 4.31Å; A162-L164 PolarHBondContact O-N 3.31Å
163N94.3Very high95.6Very high110 Ų11076.8 Ų76.859%0.58844%0.435SS*.  trans54.443.4175.4-59.3-63.7000114.9F165N163-F165 PolarHBondContact O-N 3.25Å; N163-F165 VanDerWaalsContact O-N 3.17Å
164L96.1Very high95.5Very high81 Ų8177.9 Ų77.942%0.42444%0.442SS..SBendtrans-45.8-48177.4178.566.2000112.2N150 V153 V161 A162 V179N150-L164 PolarHBondContact OD1-N 3.46Å; V153-L164 HydrophobicContact CG1-CB 4.26Å; V153-L164 HydrophobicContact CG1-CD2 4.24Å; V153-L164 HydrophobicContact CG2-CD2 3.88Å; V161-L164 HydrophobicContact CG1-CB 4.26Å; V161-L164 HydrophobicContact CG1-CD1 4.19Å; A162-L164 PolarHBondContact O-N 3.31Å; L164-V179 HydrophobicContact CD2-CG1 4.15Å
165F96.5Very high95.5Very high41 Ų4177.1 Ų77.118%0.1844%0.443CS..SBendtrans-97.5117.9173-63.3-70.1000111R146 I149 N150 N163 T169 I170 V177 V179R146-F165 HydrophobicContact CG-CB 3.92Å; R146-F165 PolarHBondContact NH1-O 2.68Å; I149-F165 HydrophobicContact CG2-CD2 3.78Å; I149-F165 HydrophobicContact CG2-CE2 3.65Å; N150-F165 PolarHBondContact ND2-O 3.15Å; N150-F165 PolarHBondContact OD1-N 3.46Å; N163-F165 PolarHBondContact O-N 3.25Å; N163-F165 VanDerWaalsContact O-N 3.17Å; F165-T169 HydrophobicContact CD1-CG2 3.79Å; F165-I170 HydrophobicContact CB-CD1 4.34Å; F165-I170 HydrophobicContact CB-CG1 4.38Å; F165-I170 HydrophobicContact CD1-CG1 4.4Å; F165-I170 HydrophobicContact CD2-CD1 4.13Å; F165-I170 HydrophobicContact CG-CD1 4.12Å; F165-I170 HydrophobicContact CG-CG1 4.25Å; F165-V177 HydrophobicContact CE2-CG1 3.83Å; F165-V177 HydrophobicContact CZ-CG1 3.64Å; F165-V179 HydrophobicContact CE2-CG2 4.27Å
166G95.4Very high95.4Very high34 Ų3473.9 Ų73.935%0.35143%0.425SS..PPolyproline II helixtrans-66.6167.9170.400000112.4R146 S168 T169R146-G166 WeakPolarHBondContact CD-O 3.33Å; G166-S168 PolarHBondContact O-N 2.71Å; G166-T169 PolarHBondContact N-OG1 3.18Å; G166-T169 WeakPolarHBondContact O-CB 3.47Å; G166-T169 PolarHBondContact O-N 3.18Å; G166-T169 PolarHBondContact O-OG1 3.3Å
167K93.6Very high95.5Very high169 Ų16970.7 Ų70.774%0.73541%0.412SS*.THydrogen-bonded Turntrans-55.9142.2173.2-68.5-175.9180-179.60109.5T169K167-T169 PolarHBondContact O-N 3.34Å; K167-T169 VanDerWaalsContact O-N 3.09Å
168S91.3Very high95.6Very high106 Ų10672 Ų7274%0.74142%0.419SS*.THydrogen-bonded Turntrans63.95.7179.1-47.70000116G166G166-S168 PolarHBondContact O-N 2.71Å
169T93.8Very high95.6Very high90 Ų9066.4 Ų66.455%0.55239%0.389SS*.SBendtrans-74.8-29.7173.2-48.50000112.4F165 G166 K167F165-T169 HydrophobicContact CD1-CG2 3.79Å; G166-T169 PolarHBondContact N-OG1 3.18Å; G166-T169 WeakPolarHBondContact O-CB 3.47Å; G166-T169 PolarHBondContact O-N 3.18Å; G166-T169 PolarHBondContact O-OG1 3.3Å; K167-T169 PolarHBondContact O-N 3.34Å; K167-T169 VanDerWaalsContact O-N 3.09Å
170I95.2Very high95.6Very high8 Ų865.3 Ų65.34%0.04137%0.373CS..SBendtrans-102.2132.6170.9-60.6-177.6000107.2F138 T142 R146 I149 F165 V177F138-I170 HydrophobicContact CD1-CG2 3.46Å; F138-I170 VanDerWaalsContact CD1-CG2 3.46Å; F138-I170 HydrophobicContact CE1-CG2 3.66Å; T142-I170 HydrophobicContact CG2-CG2 4.07Å; T142-I170 VanDerWaalsContact CG2-O 3.3Å; T142-I170 WeakPolarHBondContact CG2-O 3.47Å; R146-I170 HydrophobicContact CB-CD1 4.11Å; R146-I170 HydrophobicContact CG-CD1 4.14Å; I149-I170 HydrophobicContact CD1-CD1 3.68Å; F165-I170 HydrophobicContact CB-CD1 4.34Å; F165-I170 HydrophobicContact CB-CG1 4.38Å; F165-I170 HydrophobicContact CD1-CG1 4.4Å; F165-I170 HydrophobicContact CD2-CD1 4.13Å; F165-I170 HydrophobicContact CG-CD1 4.12Å; F165-I170 HydrophobicContact CG-CG1 4.25Å; I170-V177 HydrophobicContact CD1-CG2 4.33Å
171D94.3Very high95.4Very high62 Ų6258.3 Ų58.333%0.33235%0.349SS..  trans-119.7161.2-174102.4100.3000111.9S173 S174D171-S173 VanDerWaalsContact CG-N 3.28Å; D171-S173 PolarHBondContact O-N 3.14Å; D171-S173 WeakPolarHBondContact OD1-CA 3.32Å; D171-S173 VanDerWaalsContact OD1-CB 3.26Å; D171-S173 WeakPolarHBondContact OD1-CB 3.35Å; D171-S173 PolarHBondContact OD1-N 3.43Å; D171-S173 PolarHBondContact OD1-OG 3.19Å; D171-S173 PolarHBondContact OD2-N 3.2Å; D171-S173 PolarHBondContact OD2-OG 3.21Å; D171-S174 PolarHBondContact N-OG 3.17Å; D171-S174 WeakPolarHBondContact O-CB 3.29Å; D171-S174 PolarHBondContact O-N 2.86Å; D171-S174 PolarHBondContact O-OG 3.06Å; D171-S174 PolarHBondContact OD2-N 2.88Å; D171-S174 PolarHBondContact OD2-OG 3.03Å
172P96.1Very high95.4Very high70 Ų7058.3 Ų58.346%0.45535%0.349SS..THydrogen-bonded Turntrans-55.8-28.5176.4-28.838000115.9F138 E139 S174F138-P172 WeakPolarHBondContact O-CA 3.44Å; E139-P172 VanDerWaalsContact CG-O 3.3Å; E139-P172 WeakPolarHBondContact CG-O 3.32Å; P172-S174 VanDerWaalsContact C-N 3.31Å
173S96Very high95.4Very high91 Ų9158.9 Ų58.964%0.63635%0.347SS*.THydrogen-bonded Turntrans-84.1-1.7177.573.10000114.2D171 V175D171-S173 VanDerWaalsContact CG-N 3.28Å; D171-S173 PolarHBondContact O-N 3.14Å; D171-S173 WeakPolarHBondContact OD1-CA 3.32Å; D171-S173 VanDerWaalsContact OD1-CB 3.26Å; D171-S173 WeakPolarHBondContact OD1-CB 3.35Å; D171-S173 PolarHBondContact OD1-N 3.43Å; D171-S173 PolarHBondContact OD1-OG 3.19Å; D171-S173 PolarHBondContact OD2-N 3.2Å; D171-S173 PolarHBondContact OD2-OG 3.21Å; S173-V175 PolarHBondContact O-N 3.11Å
174S96.7Very high95.5Very high25 Ų2556.1 Ų56.118%0.17533%0.333CS..  trans-60.8128.5178.4-67.60000110.9F138 D171 P172F138-S174 WeakPolarHBondContact CD2-O 3.4Å; F138-S174 WeakPolarHBondContact CG-O 3.45Å; D171-S174 PolarHBondContact N-OG 3.17Å; D171-S174 WeakPolarHBondContact O-CB 3.29Å; D171-S174 PolarHBondContact O-N 2.86Å; D171-S174 PolarHBondContact O-OG 3.06Å; D171-S174 PolarHBondContact OD2-N 2.88Å; D171-S174 PolarHBondContact OD2-OG 3.03Å; P172-S174 VanDerWaalsContact C-N 3.31Å
175V96.8Very high95.5Very high66 Ų6654.6 Ų54.640%0.433%0.328SS..  trans-96.8-43.8-179173.40000111.6G111 T112 M115 F117 S173G111-V175 WeakPolarHBondContact CA-O 3.07Å; T112-V175 HydrophobicContact CG2-CG1 4.21Å; T112-V175 PolarHBondContact N-O 3.36Å; M115-V175 HydrophobicContact CE-CB 4.45Å; M115-V175 HydrophobicContact CE-CG1 3.66Å; M115-V175 HydrophobicContact CE-CG2 3.97Å; M115-V175 HydrophobicContact SD-CG1 3.51Å; M115-V175 VanDerWaalsContact SD-CG1 3.51Å; F117-V175 HydrophobicContact CE1-CG1 4.32Å; F117-V175 HydrophobicContact CZ-CG1 4.27Å; S173-V175 PolarHBondContact O-N 3.11Å
176M97.3Very high95.4Very high48 Ų4855.4 Ų55.424%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-149.2139.5-180-172.6-178.4-6300110.8L109 Y110 F117 Y121 L178L109-M176 HydrophobicContact CD2-SD 4.3Å; Y110-M176 CarbonylContact O-C 3.56Å; Y110-M176 VanDerWaalsContact O-CA 3.22Å; Y110-M176 WeakPolarHBondContact O-CA 3.43Å; F117-M176 HydrophobicContact CD1-CE 3.32Å; F117-M176 HydrophobicContact CE1-CE 3.09Å; F117-M176 HydrophobicContact CE2-CE 4.49Å; F117-M176 HydrophobicContact CG-CE 4.15Å; F117-M176 HydrophobicContact CZ-CE 3.74Å; Y121-M176 HydrophobicContact CE1-CE 4.14Å; Y121-M176 HydrophobicContact CE1-SD 4.46Å; M176-L178 HydrophobicContact CG-CD1 3.92Å; M176-L178 HydrophobicContact CG-CG 4.31Å; M176-L178 HydrophobicContact SD-CD1 3.75Å; M176-L178 HydrophobicContact SD-CD2 4.37Å; M176-L178 HydrophobicContact SD-CG 3.94Å
177V97.7Very high95.4Very high17 Ų1756.9 Ų56.910%0.10334%0.336CS..EExtended strand (participates in β ladder)trans-116.7120.9167-179.80000108.2Y110 F138 I149 F165 I170 V179Y110-V177 PolarHBondContact N-O 3.41Å; Y110-V177 PolarHBondContact O-N 3.36Å; F138-V177 HydrophobicContact CE1-CG2 3.94Å; F138-V177 HydrophobicContact CZ-CB 4.41Å; F138-V177 HydrophobicContact CZ-CG2 3.78Å; I149-V177 HydrophobicContact CD1-CB 4.21Å; I149-V177 HydrophobicContact CD1-CG1 4.27Å; I149-V177 HydrophobicContact CD1-CG2 4.37Å; F165-V177 HydrophobicContact CE2-CG1 3.83Å; F165-V177 HydrophobicContact CZ-CG1 3.64Å; I170-V177 HydrophobicContact CD1-CG2 4.33Å; V177-V179 HydrophobicContact CG1-CG2 3.76Å
178L97.3Very high95.5Very high44 Ų4448.9 Ų48.923%0.2331%0.308CS..EExtended strand (participates in β ladder)trans-99.8128.2173.7-60.691.2000108.6M41 V42 L109 M176M41-L178 HydrophobicContact CB-CD2 3.45Å; M41-L178 VanDerWaalsContact CB-CD2 3.45Å; M41-L178 HydrophobicContact CE-CB 4.33Å; M41-L178 HydrophobicContact CE-CD2 4.46Å; V42-L178 HydrophobicContact CG2-CD1 4.14Å; V42-L178 HydrophobicContact CG2-CD2 4.02Å; L109-L178 HydrophobicContact CD2-CB 4.23Å; L109-L178 HydrophobicContact CD2-CD2 3.53Å; L109-L178 HydrophobicContact CD2-CG 3.62Å; M176-L178 HydrophobicContact CG-CD1 3.92Å; M176-L178 HydrophobicContact CG-CG 4.31Å; M176-L178 HydrophobicContact SD-CD1 3.75Å; M176-L178 HydrophobicContact SD-CD2 4.37Å; M176-L178 HydrophobicContact SD-CG 3.94Å
179V96.7Very high95.9Very high4 Ų444.5 Ų44.52%0.02427%0.274CS..EExtended strand (participates in β ladder)trans-125.6130-175.3-171.60000109.9N107 R108 Y110 I149 W152 V153 L164 F165 V177N107-V179 CarbonylContact C-O 3.49Å; N107-V179 VanDerWaalsContact CA-O 3.26Å; N107-V179 WeakPolarHBondContact CA-O 3.24Å; R108-V179 PolarHBondContact N-O 2.64Å; R108-V179 PolarHBondContact O-N 3.25Å; Y110-V179 HydrophobicContact CD2-CG2 4.05Å; Y110-V179 HydrophobicContact CE2-CG2 4.03Å; I149-V179 HydrophobicContact CG2-CG2 3.88Å; W152-V179 HydrophobicContact CE3-CG1 4.31Å; W152-V179 HydrophobicContact CZ3-CB 4.14Å; W152-V179 HydrophobicContact CZ3-CG1 3.81Å; V153-V179 HydrophobicContact CG2-CG1 3.47Å; V153-V179 VanDerWaalsContact CG2-CG1 3.47Å; L164-V179 HydrophobicContact CD2-CG1 4.15Å; F165-V179 HydrophobicContact CE2-CG2 4.27Å; V177-V179 HydrophobicContact CG1-CG2 3.76Å
180N97.1Very high96Very high19 Ų1940.7 Ų40.710%0.10225%0.251CS..EExtended strand (participates in β ladder)trans-114139.2163.4179.5-88.7000108.8S34 A38 I105 A106 N107S34-N180 WeakPolarHBondContact CA-OD1 3.41Å; S34-N180 WeakPolarHBondContact CB-OD1 3.48Å; S34-N180 PolarHBondContact OG-OD1 3.02Å; A38-N180 HydrophobicContact CB-CB 4.42Å; I105-N180 VanDerWaalsContact CD1-ND2 3.31Å; I105-N180 WeakPolarHBondContact CD1-ND2 3.38Å; I105-N180 WeakPolarHBondContact CG1-ND2 3.47Å; A106-N180 CarbonylContact O-C 3.5Å; A106-N180 WeakPolarHBondContact O-CA 3.43Å; N107-N180 PolarHBondContact OD1-ND2 2.66Å
181A91.4Very high96.1Very high34 Ų3443.6 Ų43.628%0.28127%0.27SS..  trans-147.40-177.400000111.6I105 A106 W152 V153 K156 T157I105-A181 CarbonylContact C-O 3.57Å; I105-A181 WeakPolarHBondContact CA-O 3.04Å; A106-A181 PolarHBondContact N-O 2.77Å; A106-A181 PolarHBondContact O-N 3.21Å; W152-A181 HydrophobicContact CZ3-CB 4.26Å; V153-A181 HydrophobicContact CG1-CB 4.16Å; K156-A181 HydrophobicContact CB-CB 4.19Å; T157-A181 HydrophobicContact CG2-CB 3.97Å

Retrieved 181 of 181 residues in 119 ms (Link to these results)

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