A0A096N1U0_PAPAN Loading...

p53 apoptosis effector related to PMP-22

AlphaFold DB (A0A2K6PZK4), UniProt , Accession A0A096N1U0, Species PAPAN (Papio anubis, Olive baboon), Gene PERP, Length 193 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
1M37.7Very low44.7Very low218 Ų218133.5 Ų133.5100%1.07471%0.708SS**  094.90-78.8178.7-87.900108.4R3M1-R3 PolarHBondContact O-N 3.35Å
2I31.9Very low46.9Very low169 Ų169129 Ų12987%0.86767%0.674SS**  trans-7481.9174.9-59.3174000106.6C4I2-C4 PolarHBondContact O-N 3.45Å
3R36.8Very low49.4Very low231 Ų231126.2 Ų126.287%0.87265%0.649SS**  trans-86.551.4172.6-85.1-163.1176.8-143.12.7110.5M1M1-R3 PolarHBondContact O-N 3.35Å
4C40.8Very low52Low107 Ų107123.3 Ų123.372%0.72363%0.634SS**  trans-124.965.8157.3-1420000105.6I2 L6I2-C4 PolarHBondContact O-N 3.45Å; C4-L6 PolarHBondContact O-N 3.07Å
5G41.9Very low54.3Low68 Ų68116.5 Ų116.570%0.70160%0.599SS**  trans-58.5121.6166.900000106.4A7G5-A7 PolarHBondContact O-N 3.28Å; G5-A7 VanDerWaalsContact O-N 3.11Å
6L45Very low56.4Low125 Ų125109.6 Ų109.665%0.65456%0.564SS**  trans-45.3122.4179.5-74.889.5000109.2C4 C8 C11C4-L6 PolarHBondContact O-N 3.07Å; L6-C8 PolarHBondContact O-N 2.89Å; L6-C11 HydrophobicContact CB-CB 3.96Å; L6-C11 HydrophobicContact CD2-CB 3.64Å; L6-C11 WeakPolarHBondContact CD2-SG 3.29Å; L6-C11 HydrophobicContact CG-CB 4.45Å
7A39.9Very low58.5Low75 Ų75109.5 Ų109.562%0.6256%0.564SS**  trans-52.9111.1170.900000108.2G5 E9 R10 C11G5-A7 PolarHBondContact O-N 3.28Å; G5-A7 VanDerWaalsContact O-N 3.11Å; A7-E9 PolarHBondContact O-N 3.39Å; A7-E9 VanDerWaalsContact O-N 3.08Å; A7-R10 PolarHBondContact O-N 3.14Å; A7-C11 PolarHBondContact O-N 3.3Å
8C50.4Low60.4Low83 Ų83107.4 Ų107.456%0.56155%0.554SS**Hα-helixtrans-53.5-35.2-162.4-169.90000113.4L6 R10 R12L6-C8 PolarHBondContact O-N 2.89Å; C8-R10 PolarHBondContact O-N 3.49Å; C8-R12 PolarHBondContact O-N 3.19Å
9E52.1Low62.2Low130 Ų130101.7 Ų101.761%0.60752%0.524SS*.Hα-helixtrans-68.8-32178-74.3-68.9165.100114.2A7 R12A7-E9 PolarHBondContact O-N 3.39Å; A7-E9 VanDerWaalsContact O-N 3.08Å; E9-R12 IonicContact OE1-NH2 3.87Å; E9-R12 IonicContact OE2-CZ 3.7Å; E9-R12 IonicContact OE2-NE 3.83Å; E9-R12 IonicContact OE2-NH2 2.86Å; E9-R12 PolarHBondContact OE2-NH2 3.46Å
10R53.8Low63.9Low223 Ų223100.8 Ų100.884%0.84252%0.52SS*.Hα-helixtrans-87.7-26.1-174.2-142.4162.2-153.9162.45.7112.7A7 C8A7-R10 PolarHBondContact O-N 3.14Å; C8-R10 PolarHBondContact O-N 3.49Å
11C61Low65.4Low39 Ų3997.8 Ų97.826%0.26451%0.507SS..Hα-helixtrans-77.3-27.4174.8-169.30000112.8L6 A7 W13 I14L6-C11 HydrophobicContact CB-CB 3.96Å; L6-C11 HydrophobicContact CD2-CB 3.64Å; L6-C11 WeakPolarHBondContact CD2-SG 3.29Å; L6-C11 HydrophobicContact CG-CB 4.45Å; A7-C11 PolarHBondContact O-N 3.3Å; C11-W13 PolarHBondContact O-N 3.06Å; C11-I14 WeakPolarHBondContact O-CG2 3.46Å; C11-I14 PolarHBondContact O-N 3.29Å
12R71.7Confident68.2Low80 Ų8087.4 Ų87.430%0.30246%0.456SS..THydrogen-bonded Turntrans-54.3-31.1-178.7-167.3162.765.2150.1-18.2113.8C8 E9 L99C8-R12 PolarHBondContact O-N 3.19Å; E9-R12 IonicContact OE1-NH2 3.87Å; E9-R12 IonicContact OE2-CZ 3.7Å; E9-R12 IonicContact OE2-NE 3.83Å; E9-R12 IonicContact OE2-NH2 2.86Å; E9-R12 PolarHBondContact OE2-NH2 3.46Å; R12-L99 VanDerWaalsContact CD-O 3.24Å; R12-L99 WeakPolarHBondContact CD-O 3.28Å; R12-L99 HydrophobicContact CG-CB 3.98Å; R12-L99 HydrophobicContact CG-CD2 3.65Å; R12-L99 HydrophobicContact CG-CG 4.4Å; R12-L99 PolarHBondContact NH1-O 2.88Å
13W79.1Confident71.3Confident93 Ų9380.3 Ų80.335%0.35242%0.42SS..THydrogen-bonded Turntrans-93.2-9.9-178.3-59.8103.8000114.3C11 L15 P16 L17 F96C11-W13 PolarHBondContact O-N 3.06Å; W13-L15 PolarHBondContact O-N 2.93Å; W13-P16 WeakPolarHBondContact O-CD 3.46Å; W13-L17 HydrophobicContact CB-CD1 4.21Å; W13-L17 VanDerWaalsContact O-CB 3.3Å; W13-L17 WeakPolarHBondContact O-CB 3.29Å; W13-L17 WeakPolarHBondContact O-CD1 3.48Å; W13-L17 WeakPolarHBondContact O-CG 3.15Å; W13-L17 PolarHBondContact O-N 3.14Å; W13-F96 HydrophobicContact CH2-CD2 4.47Å; W13-F96 AromaticContact CH2-CE2 3.98Å; W13-F96 HydrophobicContact CH2-CE2 3.98Å; W13-F96 HydrophobicContact CH2-CZ 4.44Å; W13-F96 AromaticContact CZ3-CD2 3.77Å; W13-F96 HydrophobicContact CZ3-CD2 3.77Å; W13-F96 AromaticContact CZ3-CE2 3.56Å; W13-F96 HydrophobicContact CZ3-CE2 3.56Å; W13-F96 HydrophobicContact CZ3-CZ 4.44Å
14I85.9Confident74.2Confident85 Ų8571.4 Ų71.444%0.43640%0.396SS..Hα-helixtrans-67.4-39.8-173.8-156.2172.8000112C11 L17 L18C11-I14 WeakPolarHBondContact O-CG2 3.46Å; C11-I14 PolarHBondContact O-N 3.29Å; I14-L17 PolarHBondContact O-N 3.47Å; I14-L18 WeakPolarHBondContact O-CB 3.48Å; I14-L18 WeakPolarHBondContact O-CG 3.5Å; I14-L18 PolarHBondContact O-N 3.03Å
15L86.3Confident76.8Confident22 Ų2269.1 Ų69.112%0.11537%0.374CS..Hα-helixtrans-67.2-50.3177.8-86.176.1000111.8W13 L17 L18 L19 F169 F170W13-L15 PolarHBondContact O-N 2.93Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.22Å; L15-L18 WeakPolarHBondContact O-CB 3.38Å; L15-L18 PolarHBondContact O-N 3.46Å; L15-L19 PolarHBondContact O-N 3.49Å; L15-F169 HydrophobicContact CD2-CB 4.01Å; L15-F170 HydrophobicContact CB-CE1 4.13Å; L15-F170 HydrophobicContact CB-CE2 4.18Å; L15-F170 HydrophobicContact CB-CZ 3.65Å; L15-F170 HydrophobicContact CD2-CD1 3.57Å; L15-F170 HydrophobicContact CD2-CD2 3.97Å; L15-F170 HydrophobicContact CD2-CE1 3.4Å; L15-F170 VanDerWaalsContact CD2-CE1 3.4Å; L15-F170 HydrophobicContact CD2-CE2 3.77Å; L15-F170 HydrophobicContact CD2-CG 3.9Å; L15-F170 HydrophobicContact CD2-CZ 3.52Å; L15-F170 HydrophobicContact CG-CE1 4.4Å; L15-F170 HydrophobicContact CG-CE2 4.42Å; L15-F170 HydrophobicContact CG-CZ 4.17Å
16P88.1Confident79.4Confident5 Ų565.9 Ų65.93%0.03234%0.341CS..Hα-helixtrans-58.2-38.1173.7-28.335000114W13 L18 L19 L20 F92 L99W13-P16 WeakPolarHBondContact O-CD 3.46Å; P16-L18 VanDerWaalsContact C-N 3.34Å; P16-L19 PolarHBondContact O-N 3.33Å; P16-L20 PolarHBondContact O-N 3Å; P16-F92 HydrophobicContact CB-CE2 4.45Å; P16-F92 WeakPolarHBondContact O-CE2 3.1Å; P16-L99 HydrophobicContact CG-CD1 3.23Å
17L91.7Very high81.8Confident108 Ų10864 Ų6457%0.56533%0.33SS*.Hα-helixtrans-66.5-36.7176.9-73.8168.9000112W13 I14 L15 L20 S21W13-L17 HydrophobicContact CB-CD1 4.21Å; W13-L17 VanDerWaalsContact O-CB 3.3Å; W13-L17 WeakPolarHBondContact O-CB 3.29Å; W13-L17 WeakPolarHBondContact O-CD1 3.48Å; W13-L17 WeakPolarHBondContact O-CG 3.15Å; W13-L17 PolarHBondContact O-N 3.14Å; I14-L17 PolarHBondContact O-N 3.47Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.22Å; L17-L20 WeakPolarHBondContact O-CB 3.43Å; L17-L20 PolarHBondContact O-N 3.32Å; L17-S21 PolarHBondContact O-N 2.92Å
18L93.6Very high84.3Confident72 Ų7263.1 Ų63.138%0.37731%0.314SS..Hα-helixtrans-66.9-39172.1-77.1167.6000112.1I14 L15 P16 L20 S21 A22 I162I14-L18 WeakPolarHBondContact O-CB 3.48Å; I14-L18 WeakPolarHBondContact O-CG 3.5Å; I14-L18 PolarHBondContact O-N 3.03Å; L15-L18 WeakPolarHBondContact O-CB 3.38Å; L15-L18 PolarHBondContact O-N 3.46Å; P16-L18 VanDerWaalsContact C-N 3.34Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L18-L20 PolarHBondContact O-N 3.03Å; L18-S21 PolarHBondContact O-N 3.24Å; L18-S21 PolarHBondContact O-OG 3.32Å; L18-A22 WeakPolarHBondContact O-CB 3.39Å; L18-A22 PolarHBondContact O-N 3.26Å; L18-I162 HydrophobicContact CB-CG2 4.1Å; L18-I162 WeakPolarHBondContact O-CG2 3.45Å
19L94.4Very high86.4Confident0 Ų059.1 Ų59.10%029%0.288CS..Hα-helixtrans-64-37.9172.4-68.6-177.1000111.5L15 P16 A22 I23 F92 L115 C166 F170L15-L19 PolarHBondContact O-N 3.49Å; P16-L19 PolarHBondContact O-N 3.33Å; L19-A22 WeakPolarHBondContact O-CB 3.22Å; L19-A22 PolarHBondContact O-N 3.03Å; L19-I23 WeakPolarHBondContact O-CG1 3.37Å; L19-I23 PolarHBondContact O-N 3.17Å; L19-F92 HydrophobicContact CB-CB 4.42Å; L19-F92 HydrophobicContact CB-CD2 3.96Å; L19-L115 HydrophobicContact CD1-CD1 4.37Å; L19-L115 HydrophobicContact CD2-CD1 3.98Å; L19-L115 HydrophobicContact CD2-CD2 3.8Å; L19-C166 HydrophobicContact CD2-CB 3.95Å; L19-F170 HydrophobicContact CD1-CE2 3.82Å; L19-F170 HydrophobicContact CD1-CZ 4.14Å; L19-F170 HydrophobicContact CG-CE2 4.33Å
20L95.2Very high88.3Confident83 Ų8353.8 Ų53.844%0.43526%0.263SS..Hα-helixtrans-65-40.6175.9-175.266.9000112.3P16 L17 L18 A22 I23 A24 F92P16-L20 PolarHBondContact O-N 3Å; L17-L20 WeakPolarHBondContact O-CB 3.43Å; L17-L20 PolarHBondContact O-N 3.32Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L18-L20 PolarHBondContact O-N 3.03Å; L20-A22 VanDerWaalsContact C-N 3.33Å; L20-I23 HydrophobicContact CD1-CD1 4.41Å; L20-I23 WeakPolarHBondContact O-CB 3.39Å; L20-I23 PolarHBondContact O-N 2.97Å; L20-A24 PolarHBondContact O-N 2.83Å; L20-A24 VanDerWaalsContact O-N 3.12Å; L20-F92 HydrophobicContact CB-CE2 3.93Å; L20-F92 HydrophobicContact CB-CZ 4.43Å; L20-F92 HydrophobicContact CD1-CE1 4.48Å; L20-F92 HydrophobicContact CD1-CE2 4.31Å; L20-F92 HydrophobicContact CD1-CZ 4Å
21S96Very high90Very high37 Ų3746.3 Ų46.326%0.25925%0.249SC..Hα-helixtrans-66.7-36.8174660000111.7L17 L18 A24 F25L17-S21 PolarHBondContact O-N 2.92Å; L18-S21 PolarHBondContact O-N 3.24Å; L18-S21 PolarHBondContact O-OG 3.32Å; S21-A24 PolarHBondContact O-N 3.04Å; S21-F25 WeakPolarHBondContact O-CD2 3.38Å; S21-F25 VanDerWaalsContact O-CG 3.27Å; S21-F25 WeakPolarHBondContact O-CG 3.49Å; S21-F25 PolarHBondContact O-N 3.3Å
22A96.6Very high91.2Very high0 Ų044.7 Ų44.70%024%0.239CC..Hα-helixtrans-62.6-40.5172.600000112.4L18 L19 L20 A24 F25 D26 L88 I162 L163L18-A22 WeakPolarHBondContact O-CB 3.39Å; L18-A22 PolarHBondContact O-N 3.26Å; L19-A22 WeakPolarHBondContact O-CB 3.22Å; L19-A22 PolarHBondContact O-N 3.03Å; L20-A22 VanDerWaalsContact C-N 3.33Å; A22-A24 VanDerWaalsContact C-N 3.32Å; A22-A24 PolarHBondContact O-N 3.04Å; A22-F25 PolarHBondContact O-N 3.39Å; A22-D26 WeakPolarHBondContact O-CB 3.33Å; A22-D26 PolarHBondContact O-N 3.28Å; A22-L88 HydrophobicContact CB-CD1 3.86Å; A22-I162 HydrophobicContact CB-CB 4.32Å; A22-I162 HydrophobicContact CB-CG2 3.98Å; A22-L163 HydrophobicContact CB-CD1 4.23Å
23I97.1Very high91.5Very high21 Ų2145.4 Ų45.411%0.10824%0.242CC..Hα-helixtrans-54.7-49.4171.1-70.3168.8000110.3L19 L20 F25 D26 I27 F85 L88 V89 F92L19-I23 WeakPolarHBondContact O-CG1 3.37Å; L19-I23 PolarHBondContact O-N 3.17Å; L20-I23 HydrophobicContact CD1-CD1 4.41Å; L20-I23 WeakPolarHBondContact O-CB 3.39Å; L20-I23 PolarHBondContact O-N 2.97Å; I23-F25 VanDerWaalsContact C-N 3.34Å; I23-F25 PolarHBondContact O-N 3.42Å; I23-D26 PolarHBondContact O-N 3.23Å; I23-I27 HydrophobicContact CG2-CD1 3.8Å; I23-I27 HydrophobicContact CG2-CG1 4.48Å; I23-I27 VanDerWaalsContact O-CG1 3.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.27Å; I23-I27 PolarHBondContact O-N 3.35Å; I23-F85 HydrophobicContact CG2-CE2 4.03Å; I23-F85 HydrophobicContact CG2-CZ 4.46Å; I23-L88 HydrophobicContact CB-CD2 4.1Å; I23-L88 HydrophobicContact CD1-CD2 4.4Å; I23-L88 HydrophobicContact CG1-CD2 3.25Å; I23-L88 HydrophobicContact CG1-CG 4.23Å; I23-V89 HydrophobicContact CG1-CG2 4.45Å; I23-F92 HydrophobicContact CD1-CB 3.76Å; I23-F92 HydrophobicContact CD1-CD1 3.76Å; I23-F92 HydrophobicContact CD1-CD2 4.2Å; I23-F92 HydrophobicContact CD1-CE1 4.42Å; I23-F92 HydrophobicContact CD1-CG 3.63Å
24A97.1Very high91.7Very high44 Ų4441.2 Ų41.236%0.36423%0.227SC..Hα-helixtrans-62.7-41.9-179.100000111.9L20 S21 A22 I27 I28L20-A24 PolarHBondContact O-N 2.83Å; L20-A24 VanDerWaalsContact O-N 3.12Å; S21-A24 PolarHBondContact O-N 3.04Å; A22-A24 VanDerWaalsContact C-N 3.32Å; A22-A24 PolarHBondContact O-N 3.04Å; A24-I27 PolarHBondContact O-N 3.38Å; A24-I28 WeakPolarHBondContact O-CB 3.3Å; A24-I28 VanDerWaalsContact O-CG1 3.29Å; A24-I28 WeakPolarHBondContact O-CG1 3.19Å; A24-I28 PolarHBondContact O-N 3.22Å
25F96.6Very high91.8Very high58 Ų5837.1 Ų37.125%0.25421%0.206SC..Hα-helixtrans-67.2-37.9177.2-63.9-19.8000112.8S21 A22 I23 I28 A29 F155 A158 A159 I162S21-F25 WeakPolarHBondContact O-CD2 3.38Å; S21-F25 VanDerWaalsContact O-CG 3.27Å; S21-F25 WeakPolarHBondContact O-CG 3.49Å; S21-F25 PolarHBondContact O-N 3.3Å; A22-F25 PolarHBondContact O-N 3.39Å; I23-F25 VanDerWaalsContact C-N 3.34Å; I23-F25 PolarHBondContact O-N 3.42Å; F25-I28 HydrophobicContact CD1-CD1 4.49Å; F25-I28 WeakPolarHBondContact O-CB 3.32Å; F25-I28 PolarHBondContact O-N 2.93Å; F25-A29 WeakPolarHBondContact O-CB 3.41Å; F25-A29 PolarHBondContact O-N 3.05Å; F25-F155 HydrophobicContact CB-CB 4.43Å; F25-F155 HydrophobicContact CB-CD1 4.16Å; F25-F155 AromaticContact CD1-CD1 3.4Å; F25-F155 HydrophobicContact CD1-CD1 3.4Å; F25-F155 AromaticContact CD1-CE1 3.62Å; F25-F155 HydrophobicContact CD1-CE1 3.62Å; F25-F155 HydrophobicContact CD2-CD1 4.49Å; F25-F155 AromaticContact CE1-CD1 3.85Å; F25-F155 HydrophobicContact CE1-CD1 3.85Å; F25-F155 AromaticContact CE1-CE1 3.59Å; F25-F155 HydrophobicContact CE1-CE1 3.59Å; F25-F155 AromaticContact CG-CD1 3.78Å; F25-F155 HydrophobicContact CG-CD1 3.78Å; F25-F155 HydrophobicContact CG-CE1 4.38Å; F25-F155 HydrophobicContact CZ-CE1 4.33Å; F25-A158 HydrophobicContact CD2-CB 4.35Å; F25-A159 HydrophobicContact CB-CB 3.92Å; F25-I162 HydrophobicContact CD2-CD1 3.92Å; F25-I162 HydrophobicContact CE2-CD1 3.8Å
26D95.4Very high91.8Very high1 Ų136.2 Ų36.21%0.00520%0.201CC..Hα-helixtrans-67.5-38.9174.3-86-20000112.3A22 I23 I28 A29 L30 F85 Q122 A159A22-D26 WeakPolarHBondContact O-CB 3.33Å; A22-D26 PolarHBondContact O-N 3.28Å; I23-D26 PolarHBondContact O-N 3.23Å; D26-I28 VanDerWaalsContact C-N 3.3Å; D26-I28 PolarHBondContact O-N 3.47Å; D26-A29 PolarHBondContact O-N 3.34Å; D26-L30 WeakPolarHBondContact O-CB 3.49Å; D26-L30 WeakPolarHBondContact O-CG 3.24Å; D26-L30 PolarHBondContact O-N 3.41Å; D26-F85 HydrophobicContact CB-CD2 3.54Å; D26-F85 HydrophobicContact CB-CE2 4.09Å; D26-F85 HydrophobicContact CB-CG 4.46Å; D26-Q122 PolarHBondContact OD1-NE2 3.49Å; D26-Q122 PolarHBondContact OD2-NE2 3.11Å; D26-A159 VanDerWaalsContact OD1-CB 3.22Å; D26-A159 WeakPolarHBondContact OD1-CB 3.38Å
27I95.1Very high91.7Very high85 Ų8537.9 Ų37.944%0.43621%0.209SC..Hα-helixtrans-61.7-44.4173.3-68.5166.6000109.7I23 A24 A29 L30 A31 F85I23-I27 HydrophobicContact CG2-CD1 3.8Å; I23-I27 HydrophobicContact CG2-CG1 4.48Å; I23-I27 VanDerWaalsContact O-CG1 3.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.27Å; I23-I27 PolarHBondContact O-N 3.35Å; A24-I27 PolarHBondContact O-N 3.38Å; I27-A29 VanDerWaalsContact C-N 3.32Å; I27-A29 PolarHBondContact O-N 3.11Å; I27-L30 PolarHBondContact O-N 3.22Å; I27-A31 WeakPolarHBondContact O-CB 3.5Å; I27-A31 PolarHBondContact O-N 3.48Å; I27-F85 HydrophobicContact CD1-CE2 4.41Å; I27-F85 HydrophobicContact CD1-CZ 4.18Å; I27-F85 HydrophobicContact CG1-CE2 3.78Å; I27-F85 HydrophobicContact CG1-CZ 3.69Å
28I93.9Very high91.3Very high56 Ų5632.9 Ų32.929%0.28718%0.183SC..Hα-helixtrans-61.1-41.6175-73.6165.9000111A24 F25 D26 G32 W151 F155A24-I28 WeakPolarHBondContact O-CB 3.3Å; A24-I28 VanDerWaalsContact O-CG1 3.29Å; A24-I28 WeakPolarHBondContact O-CG1 3.19Å; A24-I28 PolarHBondContact O-N 3.22Å; F25-I28 HydrophobicContact CD1-CD1 4.49Å; F25-I28 WeakPolarHBondContact O-CB 3.32Å; F25-I28 PolarHBondContact O-N 2.93Å; D26-I28 VanDerWaalsContact C-N 3.3Å; D26-I28 PolarHBondContact O-N 3.47Å; I28-G32 WeakPolarHBondContact O-CA 3.42Å; I28-G32 PolarHBondContact O-N 3.46Å; I28-W151 HydrophobicContact CG2-CE3 3.89Å; I28-W151 HydrophobicContact CG2-CZ3 3.45Å; I28-W151 VanDerWaalsContact CG2-CZ3 3.45Å; I28-F155 HydrophobicContact CG2-CB 3.99Å; I28-F155 HydrophobicContact CG2-CD2 3.55Å; I28-F155 HydrophobicContact CG2-CE2 4.19Å; I28-F155 HydrophobicContact CG2-CG 3.81Å
29A93.3Very high90.5Very high0 Ų031.3 Ų31.30%018%0.178CC..Hα-helixtrans-66.4-44.6176.400000111.2F25 D26 I27 W35F25-A29 WeakPolarHBondContact O-CB 3.41Å; F25-A29 PolarHBondContact O-N 3.05Å; D26-A29 PolarHBondContact O-N 3.34Å; I27-A29 VanDerWaalsContact C-N 3.32Å; I27-A29 PolarHBondContact O-N 3.11Å; A29-W35 HydrophobicContact CB-CZ2 4.11Å; A29-W35 WeakPolarHBondContact O-CZ2 3.46Å; A29-W35 PolarHBondContact O-NE1 2.83Å
30L92.5Very high89.6Confident17 Ų1735.2 Ų35.29%0.08920%0.199CC..Hα-helixtrans-66.7-43-179.9-77.6164.6000112.8D26 I27 L47 W48 L81 F82 F85D26-L30 WeakPolarHBondContact O-CB 3.49Å; D26-L30 WeakPolarHBondContact O-CG 3.24Å; D26-L30 PolarHBondContact O-N 3.41Å; I27-L30 PolarHBondContact O-N 3.22Å; L30-L47 HydrophobicContact CD2-CD2 4.01Å; L30-W48 HydrophobicContact CD2-CZ2 4.3Å; L30-W48 PolarHBondContact O-NE1 3.23Å; L30-L81 HydrophobicContact CD2-CB 4.34Å; L30-L81 HydrophobicContact CD2-CD2 3.72Å; L30-L81 HydrophobicContact CD2-CG 4.01Å; L30-L81 HydrophobicContact CG-CD2 4.05Å; L30-L81 HydrophobicContact CG-CG 4.38Å; L30-F82 HydrophobicContact CD1-CD2 4.31Å; L30-F82 HydrophobicContact CD2-CD2 4.4Å; L30-F85 HydrophobicContact CD1-CB 4Å; L30-F85 HydrophobicContact CD1-CD1 3.98Å; L30-F85 HydrophobicContact CD1-CD2 4.39Å; L30-F85 HydrophobicContact CD1-CG 3.86Å
31A89.8Confident88.5Confident67 Ų6736.8 Ų36.855%0.55420%0.204SC*.Hα-helixtrans-90.4-18.2-178.100000113.3I27I27-A31 WeakPolarHBondContact O-CB 3.5Å; I27-A31 PolarHBondContact O-N 3.48Å
32G85Confident87.3Confident5 Ų538.5 Ų38.55%0.05221%0.209CC..  trans-68.1134.1-172.100000112.6I28 W35I28-G32 WeakPolarHBondContact O-CA 3.42Å; I28-G32 PolarHBondContact O-N 3.46Å; G32-W35 VanDerWaalsContact O-CD1 3.3Å
33R78.8Confident86.3Confident95 Ų9540.5 Ų40.536%0.35822%0.218SC..SBendtrans-83.6-22179.9-59.6-66.8172171.1-2113.6W35 S45 S58R33-W35 VanDerWaalsContact C-N 3.35Å; R33-W35 PolarHBondContact O-N 3.38Å; R33-S45 CarbonylContact O-C 3.26Å; R33-S58 PolarHBondContact NH1-O 3.4Å; R33-S58 PolarHBondContact NH2-O 3.26Å
34G82.8Confident85.6Confident4 Ų441 Ų414%0.04122%0.223CC..  trans-90.854.6-174.500000113.3N150 W151 A152G34-N150 CarbonylContact O-C 3.42Å; G34-N150 VanDerWaalsContact O-CB 3.3Å; G34-N150 WeakPolarHBondContact O-CB 3.36Å; G34-W151 PolarHBondContact O-N 3.44Å; G34-A152 WeakPolarHBondContact O-CB 3.06Å; G34-A152 PolarHBondContact O-N 2.98Å
35W88.4Confident85Confident0 Ų039 Ų390%021%0.206CC..SBendtrans-74.6-46.7169.7-8261.6000110.3A29 G32 R33 S45 L47 L81 Y129 Y149 N150 A152 Y153A29-W35 HydrophobicContact CB-CZ2 4.11Å; A29-W35 WeakPolarHBondContact O-CZ2 3.46Å; A29-W35 PolarHBondContact O-NE1 2.83Å; G32-W35 VanDerWaalsContact O-CD1 3.3Å; R33-W35 VanDerWaalsContact C-N 3.35Å; R33-W35 PolarHBondContact O-N 3.38Å; W35-S45 WeakPolarHBondContact CB-O 3.48Å; W35-S45 PolarHBondContact N-O 3.29Å; W35-S45 VanDerWaalsContact N-O 3.1Å; W35-L47 HydrophobicContact CD2-CB 4.43Å; W35-L47 HydrophobicContact CD2-CD1 4.46Å; W35-L47 HydrophobicContact CE3-CD1 4.27Å; W35-L47 HydrophobicContact CH2-CD1 3.74Å; W35-L47 HydrophobicContact CZ2-CB 4.25Å; W35-L47 HydrophobicContact CZ2-CD1 3.91Å; W35-L47 HydrophobicContact CZ2-CD2 4.28Å; W35-L47 HydrophobicContact CZ2-CG 4.37Å; W35-L47 HydrophobicContact CZ3-CD1 3.91Å; W35-L81 HydrophobicContact CH2-CD2 3.79Å; W35-L81 HydrophobicContact CZ2-CD2 3.69Å; W35-Y129 HydrophobicContact CB-CE1 4.03Å; W35-Y129 HydrophobicContact CD2-CE1 4.47Å; W35-Y129 AromaticContact CE3-CD1 3.65Å; W35-Y129 HydrophobicContact CE3-CD1 3.65Å; W35-Y129 HydrophobicContact CE3-CD2 4.2Å; W35-Y129 AromaticContact CE3-CE1 3.76Å; W35-Y129 HydrophobicContact CE3-CE1 3.76Å; W35-Y129 HydrophobicContact CE3-CE2 4.29Å; W35-Y129 AromaticContact CE3-CG 3.88Å; W35-Y129 HydrophobicContact CE3-CG 3.88Å; W35-Y129 HydrophobicContact CZ3-CD1 4.16Å; W35-Y129 HydrophobicContact CZ3-CD2 4.45Å; W35-Y129 HydrophobicContact CZ3-CG 4.04Å; W35-Y149 WeakPolarHBondContact O-CA 3.29Å; W35-N150 PolarHBondContact O-N 3.49Å; W35-N150 VanDerWaalsContact O-N 3.09Å; W35-A152 HydrophobicContact CG-CB 4.47Å; W35-Y153 HydrophobicContact CD2-CD2 4.5Å; W35-Y153 AromaticContact CE3-CD2 3.61Å; W35-Y153 HydrophobicContact CE3-CD2 3.61Å; W35-Y153 HydrophobicContact CE3-CE2 4.44Å; W35-Y153 HydrophobicContact CE3-CG 4.46Å; W35-Y153 AromaticContact CZ3-CD2 3.71Å; W35-Y153 HydrophobicContact CZ3-CD2 3.71Å; W35-Y153 HydrophobicContact CZ3-CE2 4.27Å; W35-Y153 WeakPolarHBondContact O-CB 3.43Å
36L86.9Confident84.6Confident2 Ų236.4 Ų36.41%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-143.8138.4-178.6-178.4138.6000109.4S45 Y133 Y147 I148 Y149L36-S45 PolarHBondContact N-O 3.44Å; L36-S45 PolarHBondContact O-N 3.3Å; L36-Y133 HydrophobicContact CD1-CD1 4.1Å; L36-Y133 HydrophobicContact CD1-CE1 4.2Å; L36-Y133 HydrophobicContact CD2-CD1 4.3Å; L36-Y133 HydrophobicContact CD2-CE1 3.57Å; L36-Y147 HydrophobicContact CD2-CD1 3.44Å; L36-Y147 VanDerWaalsContact CD2-CD1 3.44Å; L36-Y147 HydrophobicContact CD2-CE1 4.26Å; L36-Y147 HydrophobicContact CD2-CG 4.07Å; L36-Y147 HydrophobicContact CG-CD1 4.45Å; L36-I148 WeakPolarHBondContact CA-O 3.42Å; L36-Y149 HydrophobicContact CB-CD1 4.46Å; L36-Y149 HydrophobicContact CD1-CD1 4.07Å; L36-Y149 HydrophobicContact CD1-CE1 3.6Å
37Q85.8Confident84.3Confident41 Ų4136.4 Ų36.419%0.19220%0.195CC..EExtended strand (participates in β ladder)trans-139.1138.1-175.2-171.7175.1-6500109.7H41 Q43 T44 Y147 I148 N150Q37-H41 PolarHBondContact NE2-CE1 3.26Å; Q37-H41 PolarHBondContact NE2-ND1 3.28Å; Q37-Q43 WeakPolarHBondContact CA-O 3.26Å; Q37-T44 HydrophobicContact CG-CG2 4.1Å; Q37-Y147 WeakPolarHBondContact O-CA 3.05Å; Q37-I148 PolarHBondContact N-O 3.39Å; Q37-I148 PolarHBondContact O-N 3.48Å; Q37-N150 HydrophobicContact CB-CB 4.35Å; Q37-N150 PolarHBondContact OE1-ND2 3.48Å
38S82.4Confident84Confident3 Ų336.4 Ų36.42%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-69.1148.2171.1164.70000110.9D40 H41 Q43 V145 T146S38-D40 PolarHBondContact O-N 3.17Å; S38-D40 PolarHBondContact OG-N 2.79Å; S38-H41 PolarHBondContact O-N 2.91Å; S38-Q43 PolarHBondContact N-O 3.05Å; S38-V145 WeakPolarHBondContact OG-CG1 3.48Å; S38-T146 CarbonylContact C-O 3.15Å
39S78.3Confident83.6Confident38 Ų3836.9 Ų36.927%0.26619%0.188SC..THydrogen-bonded Turntrans-54.8-30.1173.951.80000113.2H41 T146S39-H41 PolarHBondContact O-CD2 3.3Å; S39-H41 PolarHBondContact O-N 3.34Å; S39-T146 VanDerWaalsContact CB-OG1 3.3Å; S39-T146 WeakPolarHBondContact CB-OG1 3.35Å; S39-T146 PolarHBondContact N-O 3.42Å; S39-T146 PolarHBondContact OG-N 2.93Å; S39-T146 PolarHBondContact OG-O 3.14Å; S39-T146 PolarHBondContact OG-OG1 2.86Å
40D74.7Confident83.2Confident82 Ų8238.4 Ų38.444%0.43919%0.194SC..THydrogen-bonded Turntrans-88.55.8-177.7-52.9-19.1000111.4S38 I42S38-D40 PolarHBondContact O-N 3.17Å; S38-D40 PolarHBondContact OG-N 2.79Å; D40-I42 HydrophobicContact CB-CD1 3.95Å; D40-I42 HydrophobicContact CB-CG1 4.41Å; D40-I42 WeakPolarHBondContact O-CG1 3.44Å; D40-I42 PolarHBondContact O-N 3.02Å
41H71.6Confident82.7Confident117 Ų11738.4 Ų38.454%0.54220%0.196SC..SBendtrans60.4-2-179-60.7-82.5000116.2Q37 S38 S39Q37-H41 PolarHBondContact NE2-CE1 3.26Å; Q37-H41 PolarHBondContact NE2-ND1 3.28Å; S38-H41 PolarHBondContact O-N 2.91Å; S39-H41 PolarHBondContact O-CD2 3.3Å; S39-H41 PolarHBondContact O-N 3.34Å
42I72Confident81.8Confident73 Ų7338.6 Ų38.637%0.37419%0.193SC..SBendtrans-73-34.3-178.3-65.6158.2000112.7D40 S52 Q53 E54D40-I42 HydrophobicContact CB-CD1 3.95Å; D40-I42 HydrophobicContact CB-CG1 4.41Å; D40-I42 WeakPolarHBondContact O-CG1 3.44Å; D40-I42 PolarHBondContact O-N 3.02Å; I42-S52 WeakPolarHBondContact CG2-O 3.12Å; I42-S52 CarbonylContact O-C 3.57Å; I42-S52 VanDerWaalsContact O-C 3.26Å; I42-Q53 CarbonylContact O-C 3.32Å; I42-Q53 PolarHBondContact O-N 3.13Å; I42-E54 HydrophobicContact CG1-CG 4.21Å
43Q75.4Confident80.7Confident41 Ų4145.4 Ų45.419%0.19222%0.223CC..  trans-110.9126.5-178.7-57.1-163.3-24.600111.1Q37 S38 C51 S52 Y147Q37-Q43 WeakPolarHBondContact CA-O 3.26Å; S38-Q43 PolarHBondContact N-O 3.05Å; Q43-C51 WeakPolarHBondContact CA-O 3.49Å; Q43-S52 PolarHBondContact NE2-OG 3.1Å; Q43-Y147 PolarHBondContact OE1-OH 3.27Å
44T82Confident79.4Confident33 Ų3347.8 Ų47.820%0.20224%0.238CC..EExtended strand (participates in β ladder)trans-125.2142.617553.90000109.5Q37 C51Q37-T44 HydrophobicContact CG-CG2 4.1Å; T44-C51 PolarHBondContact N-O 3Å; T44-C51 VanDerWaalsContact N-O 3.07Å; T44-C51 PolarHBondContact O-N 3.19Å; T44-C51 VanDerWaalsContact O-O 3.09Å
45S84.7Confident77.8Confident1 Ų151.2 Ų51.21%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-138.3131.2-178.2-61.60000109.7R33 W35 L36 Y133R33-S45 CarbonylContact O-C 3.26Å; W35-S45 WeakPolarHBondContact CB-O 3.48Å; W35-S45 PolarHBondContact N-O 3.29Å; W35-S45 VanDerWaalsContact N-O 3.1Å; L36-S45 PolarHBondContact N-O 3.44Å; L36-S45 PolarHBondContact O-N 3.3Å; S45-Y133 PolarHBondContact OG-OH 2.93Å
46S88.6Confident75.9Confident4 Ų454.4 Ų54.43%0.02831%0.307CS..  trans-109.6173.6176.566.50000109.3W48 W49 Y129S46-W48 PolarHBondContact O-N 3.41Å; S46-W48 VanDerWaalsContact O-N 3.14Å; S46-W48 PolarHBondContact OG-N 3.11Å; S46-W49 PolarHBondContact N-O 2.83Å; S46-W49 PolarHBondContact OG-N 3.35Å; S46-W49 PolarHBondContact OG-O 3.01Å; S46-Y129 PolarHBondContact O-OH 2.98Å
47L87.4Confident74.1Confident1 Ų155.8 Ų55.81%0.00532%0.321CS..SBendtrans-55.9-29.8173.3-16568.1000113.1L30 W35 M69 A78 L81 Y129L30-L47 HydrophobicContact CD2-CD2 4.01Å; W35-L47 HydrophobicContact CD2-CB 4.43Å; W35-L47 HydrophobicContact CD2-CD1 4.46Å; W35-L47 HydrophobicContact CE3-CD1 4.27Å; W35-L47 HydrophobicContact CH2-CD1 3.74Å; W35-L47 HydrophobicContact CZ2-CB 4.25Å; W35-L47 HydrophobicContact CZ2-CD1 3.91Å; W35-L47 HydrophobicContact CZ2-CD2 4.28Å; W35-L47 HydrophobicContact CZ2-CG 4.37Å; W35-L47 HydrophobicContact CZ3-CD1 3.91Å; L47-M69 WeakPolarHBondContact O-CE 3.38Å; L47-A78 HydrophobicContact CD2-CB 4.18Å; L47-A78 HydrophobicContact CG-CB 4.3Å; L47-L81 HydrophobicContact CD2-CD2 3.62Å; L47-Y129 HydrophobicContact CD1-CD2 3.87Å; L47-Y129 HydrophobicContact CD1-CE2 4.26Å
48W88.8Confident72.6Confident84 Ų8457.7 Ų57.732%0.31834%0.339SS..SBendtrans-104.6-31-171-53.998.5000114L30 S46 L68 M69 A78L30-W48 HydrophobicContact CD2-CZ2 4.3Å; L30-W48 PolarHBondContact O-NE1 3.23Å; S46-W48 PolarHBondContact O-N 3.41Å; S46-W48 VanDerWaalsContact O-N 3.14Å; S46-W48 PolarHBondContact OG-N 3.11Å; W48-L68 PolarHBondContact O-N 3.03Å; W48-M69 HydrophobicContact CD2-CE 4.44Å; W48-M69 HydrophobicContact CE3-CE 3.72Å; W48-M69 HydrophobicContact CE3-CG 4.02Å; W48-M69 HydrophobicContact CE3-SD 3.8Å; W48-M69 HydrophobicContact CZ3-CE 4.2Å; W48-M69 HydrophobicContact CZ3-CG 4.48Å; W48-M69 HydrophobicContact CZ3-SD 3.88Å; W48-A78 HydrophobicContact CE3-CB 4.41Å; W48-A78 HydrophobicContact CH2-CB 3.98Å; W48-A78 HydrophobicContact CZ3-CB 3.91Å
49W85.8Confident71.5Confident66 Ų6657.9 Ų57.925%0.2534%0.342CS..EExtended strand (participates in β ladder)trans-141.4144.7-167.8-54.294.4000111.7S46 G59 C65 Q66S46-W49 PolarHBondContact N-O 2.83Å; S46-W49 PolarHBondContact OG-N 3.35Å; S46-W49 PolarHBondContact OG-O 3.01Å; W49-G59 PolarHBondContact NE1-O 3.13Å; W49-C65 HydrophobicContact CB-CB 4.44Å; W49-C65 HydrophobicContact CE3-CB 4.3Å; W49-Q66 WeakPolarHBondContact CA-O 3.49Å
50K85.6Confident70.6Confident33 Ų3357.8 Ų57.814%0.14334%0.341CS..EExtended strand (participates in β ladder)trans-113.5122.5167.7173.3-179.8-176.2-178.80109C65 Q66 L68 Y133 F137K50-C65 CarbonylContact O-C 3.55Å; K50-C65 WeakPolarHBondContact O-CA 3.39Å; K50-Q66 PolarHBondContact N-O 3.42Å; K50-Q66 PolarHBondContact O-N 3.26Å; K50-L68 HydrophobicContact CB-CD1 3.52Å; K50-Y133 WeakPolarHBondContact CD-OH 3.29Å; K50-Y133 WeakPolarHBondContact CE-OH 3.29Å; K50-F137 HydrophobicContact CD-CD1 4.4Å; K50-F137 HydrophobicContact CD-CD2 4.49Å; K50-F137 HydrophobicContact CD-CE1 3.88Å; K50-F137 HydrophobicContact CD-CE2 4Å; K50-F137 HydrophobicContact CD-CZ 3.66Å; K50-F137 VanDerWaalsContact NZ-CE1 3.29Å; K50-F137 VanDerWaalsContact NZ-CG 3.34Å
51C82.9Confident69.8Low17 Ų1762.9 Ų62.912%0.11536%0.355CS..EExtended strand (participates in β ladder)trans-119.8137.8-178.4-56.30000109.8Q43 T44 C65Q43-C51 WeakPolarHBondContact CA-O 3.49Å; T44-C51 PolarHBondContact N-O 3Å; T44-C51 VanDerWaalsContact N-O 3.07Å; T44-C51 PolarHBondContact O-N 3.19Å; T44-C51 VanDerWaalsContact O-O 3.09Å; C51-C65 HydrophobicContact CB-CB 4.14Å; C51-C65 WeakPolarHBondContact CB-SG 3.45Å; C51-C65 WeakPolarHBondContact SG-CB 3.25Å; C51-C65 CovalentContact SG-SG 2.03Å; C51-C65 PolarHBondContact SG-SG 2.97Å
52S69.3Low69.1Low70 Ų7066 Ų6649%0.4937%0.37SS..  trans-108.78.2-175.3-168.90000114.7I42 Q43I42-S52 WeakPolarHBondContact CG2-O 3.12Å; I42-S52 CarbonylContact O-C 3.57Å; I42-S52 VanDerWaalsContact O-C 3.26Å; Q43-S52 PolarHBondContact NE2-OG 3.1Å
53Q62.3Low68.8Low149 Ų14966 Ų6670%0.69637%0.369SS*.SBendtrans-122.5140.4-175.6-158.816127.500112.1I42 G55I42-Q53 CarbonylContact O-C 3.32Å; I42-Q53 PolarHBondContact O-N 3.13Å; Q53-G55 PolarHBondContact O-N 3.15Å
54E51.2Low68.5Low144 Ų14467.2 Ų67.267%0.67339%0.392SS*.SBendtrans-59.1126.1169.3-92.8178.9141.900109.6I42I42-E54 HydrophobicContact CG1-CG 4.21Å
55G50.4Low68.4Low77 Ų7766 Ų6679%0.79439%0.385SS*.SBendtrans116.223.3176.800000115.8Q53 G57Q53-G55 PolarHBondContact O-N 3.15Å; G55-G57 PolarHBondContact O-N 3.02Å
56G48.2Very low68.4Low66 Ų6669.5 Ų69.568%0.6840%0.401SS*.  trans29.965.1147.900000115.1
57G49.3Very low68.3Low31 Ų3170.5 Ų70.532%0.3241%0.408SS..  trans-69177.1170.800000111.1G55 G59 E63G55-G57 PolarHBondContact O-N 3.02Å; G57-G59 PolarHBondContact O-N 3.32Å; G57-E63 VanDerWaalsContact CA-OE1 3.32Å; G57-E63 WeakPolarHBondContact CA-OE1 3.26Å; G57-E63 WeakPolarHBondContact CA-OE2 3.5Å
58S53.8Low68.3Low82 Ų8270.4 Ų70.457%0.57341%0.407SS*.SBendtrans-59.94.8178.1660000114.5R33 E63R33-S58 PolarHBondContact NH1-O 3.4Å; R33-S58 PolarHBondContact NH2-O 3.26Å; S58-E63 VanDerWaalsContact N-CD 3.27Å; S58-E63 PolarHBondContact N-OE1 3.24Å; S58-E63 PolarHBondContact N-OE2 3.31Å; S58-E63 PolarHBondContact OG-OE1 2.81Å
59G58.8Low68.4Low7 Ų768.5 Ų68.57%0.07240%0.402CS..SBendtrans63.268.5-177.400000109.4W49 G57 E63W49-G59 PolarHBondContact NE1-O 3.13Å; G57-G59 PolarHBondContact O-N 3.32Å; G59-E63 WeakPolarHBondContact CA-OE2 3.4Å; G59-E63 PolarHBondContact N-OE2 2.91Å
60S60.5Low68.5Low35 Ų3571.2 Ų71.225%0.24542%0.418CS..  trans-115.4155.7172.8-1780000110.1E62 E63S60-E62 PolarHBondContact O-N 2.96Å; S60-E62 PolarHBondContact OG-N 3.36Å; S60-E63 PolarHBondContact N-OE2 3.44Å; S60-E63 PolarHBondContact O-N 3.48Å; S60-E63 VanDerWaalsContact O-N 3.08Å
61Y57.1Low68.7Low190 Ų19072.6 Ų72.675%0.74542%0.422SS*.G310 helixtrans-56.8-31.8169.2-178.3-96000111.6E63 G64Y61-E63 PolarHBondContact O-N 3.49Å; Y61-G64 PolarHBondContact O-N 2.86Å; Y61-G64 VanDerWaalsContact O-N 3.11Å
62E56.9Low69.2Low183 Ų18375 Ų7586%0.85544%0.444SS*.G310 helixtrans-65.9-20.4177.9-63.2-173.4156.300113.5S60 G64S60-E62 PolarHBondContact O-N 2.96Å; S60-E62 PolarHBondContact OG-N 3.36Å; E62-G64 VanDerWaalsContact C-N 3.33Å
63E65Low70.3Confident73 Ų7373.3 Ų73.334%0.34143%0.427SS..G310 helixtrans-95.610.6178.3-60.6166.8169.500111.7G57 S58 G59 S60 Y61 C65G57-E63 VanDerWaalsContact CA-OE1 3.32Å; G57-E63 WeakPolarHBondContact CA-OE1 3.26Å; G57-E63 WeakPolarHBondContact CA-OE2 3.5Å; S58-E63 VanDerWaalsContact N-CD 3.27Å; S58-E63 PolarHBondContact N-OE1 3.24Å; S58-E63 PolarHBondContact N-OE2 3.31Å; S58-E63 PolarHBondContact OG-OE1 2.81Å; G59-E63 WeakPolarHBondContact CA-OE2 3.4Å; G59-E63 PolarHBondContact N-OE2 2.91Å; S60-E63 PolarHBondContact N-OE2 3.44Å; S60-E63 PolarHBondContact O-N 3.48Å; S60-E63 VanDerWaalsContact O-N 3.08Å; Y61-E63 PolarHBondContact O-N 3.49Å; E63-C65 VanDerWaalsContact C-N 3.32Å; E63-C65 PolarHBondContact O-N 2.83Å
64G69Low71.7Confident65 Ų6566.3 Ų66.367%0.6740%0.395SS*.THydrogen-bonded Turntrans7517.3179.900000114.4Y61 E62Y61-G64 PolarHBondContact O-N 2.86Å; Y61-G64 VanDerWaalsContact O-N 3.11Å; E62-G64 VanDerWaalsContact C-N 3.33Å
65C80.9Confident73.8Confident8 Ų866.2 Ų66.25%0.05439%0.388CS..PPolyproline II helixtrans-84.5135.7176.4-61.80000111.8W49 K50 C51 E63W49-C65 HydrophobicContact CB-CB 4.44Å; W49-C65 HydrophobicContact CE3-CB 4.3Å; K50-C65 CarbonylContact O-C 3.55Å; K50-C65 WeakPolarHBondContact O-CA 3.39Å; C51-C65 HydrophobicContact CB-CB 4.14Å; C51-C65 WeakPolarHBondContact CB-SG 3.45Å; C51-C65 WeakPolarHBondContact SG-CB 3.25Å; C51-C65 CovalentContact SG-SG 2.03Å; C51-C65 PolarHBondContact SG-SG 2.97Å; E63-C65 VanDerWaalsContact C-N 3.32Å; E63-C65 PolarHBondContact O-N 2.83Å
66Q84.8Confident75.8Confident75 Ų7564.5 Ų64.535%0.3537%0.367SS..EExtended strand (participates in β ladder)trans-84135.1172.8-172.5176.111.600110.5W49 K50 E70 Y71W49-Q66 WeakPolarHBondContact CA-O 3.49Å; K50-Q66 PolarHBondContact N-O 3.42Å; K50-Q66 PolarHBondContact O-N 3.26Å; Q66-E70 PolarHBondContact NE2-OE2 2.7Å; Q66-Y71 PolarHBondContact NE2-OH 3.08Å; Q66-Y71 VanDerWaalsContact NE2-OH 3.11Å
67S87Confident78Confident24 Ų2461.4 Ų61.417%0.16833%0.334CS..EExtended strand (participates in β ladder)trans-75.8127.4174.8-170.10000111.3M69S67-M69 PolarHBondContact O-N 2.94Å; S67-M69 PolarHBondContact OG-N 3.2Å
68L87.6Confident80.1Confident0 Ų060 Ų600%032%0.32CS..G310 helixtrans-73.1-13.9171.3-105.165.1000112.4W48 K50 E70 Y71 W73 Y129 Y133W48-L68 PolarHBondContact O-N 3.03Å; K50-L68 HydrophobicContact CB-CD1 3.52Å; L68-E70 PolarHBondContact O-N 2.88Å; L68-Y71 PolarHBondContact O-N 3.04Å; L68-W73 HydrophobicContact CD2-CH2 3.69Å; L68-W73 HydrophobicContact CD2-CZ3 4.16Å; L68-W73 HydrophobicContact CG-CH2 3.99Å; L68-Y129 HydrophobicContact CD2-CE2 3.81Å; L68-Y133 HydrophobicContact CD1-CE2 4.49Å; L68-Y133 HydrophobicContact CD2-CD2 4.09Å; L68-Y133 HydrophobicContact CD2-CE2 4.15Å
69M89.1Confident82.1Confident44 Ų4458.5 Ų58.522%0.21731%0.313CS..G310 helixtrans-72.6-11.1177.8-62.8-59.8113.500113.2L47 W48 S67 Y71 R75 A78L47-M69 WeakPolarHBondContact O-CE 3.38Å; W48-M69 HydrophobicContact CD2-CE 4.44Å; W48-M69 HydrophobicContact CE3-CE 3.72Å; W48-M69 HydrophobicContact CE3-CG 4.02Å; W48-M69 HydrophobicContact CE3-SD 3.8Å; W48-M69 HydrophobicContact CZ3-CE 4.2Å; W48-M69 HydrophobicContact CZ3-CG 4.48Å; W48-M69 HydrophobicContact CZ3-SD 3.88Å; S67-M69 PolarHBondContact O-N 2.94Å; S67-M69 PolarHBondContact OG-N 3.2Å; M69-Y71 PolarHBondContact O-N 3Å; M69-R75 HydrophobicContact CB-CG 4.27Å; M69-R75 WeakPolarHBondContact O-CD 3.43Å; M69-R75 WeakPolarHBondContact O-CG 3.43Å; M69-R75 HydrophobicContact SD-CG 4.06Å; M69-A78 HydrophobicContact CE-CB 3.62Å; M69-A78 HydrophobicContact SD-CB 4.02Å
70E88.3Confident83.9Confident123 Ų12360.4 Ų60.458%0.57532%0.32SS*.G310 helixtrans-64.6-30.3169.1-67.9176.3173.800111.4Q66 L68Q66-E70 PolarHBondContact NE2-OE2 2.7Å; L68-E70 PolarHBondContact O-N 2.88Å
71Y90.4Very high85.5Confident61 Ų6158.8 Ų58.824%0.23931%0.309CS..SBendtrans-87.3133.8-178.7-57.2-85000111.2Q66 L68 M69 W73 G74 R75 T136 F137Q66-Y71 PolarHBondContact NE2-OH 3.08Å; Q66-Y71 VanDerWaalsContact NE2-OH 3.11Å; L68-Y71 PolarHBondContact O-N 3.04Å; M69-Y71 PolarHBondContact O-N 3Å; Y71-W73 AromaticContact CD1-NE1 3.83Å; Y71-W73 HydrophobicContact CD2-CZ2 4.35Å; Y71-W73 HydrophobicContact CG-CZ2 4.21Å; Y71-W73 AromaticContact CG-NE1 3.71Å; Y71-W73 PolarHBondContact O-N 2.92Å; Y71-G74 PolarHBondContact O-N 2.93Å; Y71-R75 PolarHBondContact O-N 3.46Å; Y71-T136 HydrophobicContact CD1-CG2 3.94Å; Y71-T136 HydrophobicContact CE1-CG2 3.59Å; Y71-F137 HydrophobicContact CE2-CZ 4.15Å
72A92.8Very high87.3Confident69 Ų6954.6 Ų54.657%0.5729%0.294SS*.Hα-helixtrans-57.2-38.6177.700000112.6A76A72-A76 WeakPolarHBondContact O-CB 3.44Å; A72-A76 PolarHBondContact O-N 3.47Å
73W93.1Very high89.2Confident33 Ų3348.6 Ų48.613%0.12527%0.272CS..Hα-helixtrans-69.9-32.7176.664.4-100.5000112.8L68 Y71 A76 A77 I128 Y129 K132 Y133 T136 F137L68-W73 HydrophobicContact CD2-CH2 3.69Å; L68-W73 HydrophobicContact CD2-CZ3 4.16Å; L68-W73 HydrophobicContact CG-CH2 3.99Å; Y71-W73 AromaticContact CD1-NE1 3.83Å; Y71-W73 HydrophobicContact CD2-CZ2 4.35Å; Y71-W73 HydrophobicContact CG-CZ2 4.21Å; Y71-W73 AromaticContact CG-NE1 3.71Å; Y71-W73 PolarHBondContact O-N 2.92Å; W73-A76 PolarHBondContact O-N 3.19Å; W73-A77 WeakPolarHBondContact O-CB 3.47Å; W73-A77 PolarHBondContact O-N 3.49Å; W73-I128 HydrophobicContact CB-CG2 4.4Å; W73-Y129 HydrophobicContact CZ3-CD2 4.29Å; W73-K132 HydrophobicContact CB-CB 3.91Å; W73-K132 HydrophobicContact CB-CG 3.8Å; W73-K132 HydrophobicContact CD2-CB 3.46Å; W73-K132 VanDerWaalsContact CD2-CB 3.46Å; W73-K132 HydrophobicContact CD2-CG 4.36Å; W73-K132 HydrophobicContact CE3-CB 3.66Å; W73-K132 HydrophobicContact CG-CB 3.56Å; W73-K132 HydrophobicContact CG-CG 4Å; W73-K132 HydrophobicContact CZ3-CB 4.42Å; W73-Y133 AromaticContact CH2-CD2 3.88Å; W73-Y133 HydrophobicContact CH2-CD2 3.88Å; W73-Y133 HydrophobicContact CH2-CG 4.49Å; W73-T136 HydrophobicContact CZ2-CG2 4.49Å; W73-T136 PolarHBondContact NE1-OG1 3.41Å; W73-F137 HydrophobicContact CZ2-CE2 4.41Å
74G91.6Very high90.7Very high2 Ų245.1 Ų45.12%0.02126%0.256CS..Hα-helixtrans-67.1-45.917700000110.8Y71 A76 A77 A78Y71-G74 PolarHBondContact O-N 2.93Å; G74-A76 VanDerWaalsContact C-N 3.35Å; G74-A76 PolarHBondContact O-N 3.14Å; G74-A77 PolarHBondContact O-N 3.29Å; G74-A78 WeakPolarHBondContact O-CB 3.18Å; G74-A78 PolarHBondContact O-N 3Å
75R94.3Very high92Very high143 Ų14343.6 Ų43.654%0.5423%0.231SC..Hα-helixtrans-59-44171.8-67.4-174.5-69.2-154.3-2.2112.3M69 Y71 A79M69-R75 HydrophobicContact CB-CG 4.27Å; M69-R75 WeakPolarHBondContact O-CD 3.43Å; M69-R75 WeakPolarHBondContact O-CG 3.43Å; M69-R75 HydrophobicContact SD-CG 4.06Å; Y71-R75 PolarHBondContact O-N 3.46Å; R75-A79 WeakPolarHBondContact O-CB 3.41Å; R75-A79 PolarHBondContact O-N 3.46Å
76A93.9Very high92.8Very high41 Ų4146.8 Ų46.834%0.33925%0.246SC..Hα-helixtrans-63.2-45.7177.900000111.9A72 W73 G74 A79 M80A72-A76 WeakPolarHBondContact O-CB 3.44Å; A72-A76 PolarHBondContact O-N 3.47Å; W73-A76 PolarHBondContact O-N 3.19Å; G74-A76 VanDerWaalsContact C-N 3.35Å; G74-A76 PolarHBondContact O-N 3.14Å; A76-A79 PolarHBondContact O-N 2.95Å; A76-M80 WeakPolarHBondContact O-CB 3.18Å; A76-M80 WeakPolarHBondContact O-CG 3.44Å; A76-M80 PolarHBondContact O-N 3.42Å
77A94Very high93.4Very high0 Ų044.6 Ų44.60%024%0.237CC..Hα-helixtrans-62-47177.900000111.6W73 G74 M80 L81 S125 I128W73-A77 WeakPolarHBondContact O-CB 3.47Å; W73-A77 PolarHBondContact O-N 3.49Å; G74-A77 PolarHBondContact O-N 3.29Å; A77-M80 PolarHBondContact O-N 3.19Å; A77-L81 PolarHBondContact O-N 3.23Å; A77-L81 VanDerWaalsContact O-N 3.08Å; A77-S125 VanDerWaalsContact O-CB 3.32Å; A77-S125 WeakPolarHBondContact O-CB 3.37Å; A77-S125 PolarHBondContact O-OG 3.25Å; A77-I128 HydrophobicContact CB-CG2 4.33Å
78A93.9Very high93.8Very high3 Ų343.4 Ų43.43%0.02523%0.229CC..Hα-helixtrans-63.5-44.2177.300000112.3L47 W48 M69 G74 M80 L81 F82L47-A78 HydrophobicContact CD2-CB 4.18Å; L47-A78 HydrophobicContact CG-CB 4.3Å; W48-A78 HydrophobicContact CE3-CB 4.41Å; W48-A78 HydrophobicContact CH2-CB 3.98Å; W48-A78 HydrophobicContact CZ3-CB 3.91Å; M69-A78 HydrophobicContact CE-CB 3.62Å; M69-A78 HydrophobicContact SD-CB 4.02Å; G74-A78 WeakPolarHBondContact O-CB 3.18Å; G74-A78 PolarHBondContact O-N 3Å; A78-M80 PolarHBondContact O-N 3.16Å; A78-L81 PolarHBondContact O-N 3.04Å; A78-F82 VanDerWaalsContact O-CB 3.24Å; A78-F82 WeakPolarHBondContact O-CB 3.48Å; A78-F82 PolarHBondContact O-N 3.46Å
79A95.3Very high94.2Very high50 Ų5045.6 Ų45.641%0.41324%0.242SC..Hα-helixtrans-61.4-4517800000111.9R75 A76 L81 F82 C83R75-A79 WeakPolarHBondContact O-CB 3.41Å; R75-A79 PolarHBondContact O-N 3.46Å; A76-A79 PolarHBondContact O-N 2.95Å; A79-L81 PolarHBondContact O-N 3.4Å; A79-F82 PolarHBondContact O-N 3.33Å; A79-C83 VanDerWaalsContact O-CB 3.26Å; A79-C83 WeakPolarHBondContact O-CB 3.44Å; A79-C83 PolarHBondContact O-N 3.06Å; A79-C83 PolarHBondContact O-SG 3.37Å
80M95.8Very high94.5Very high47 Ų4747.6 Ų47.623%0.23225%0.253CS..Hα-helixtrans-65.5-40.8179.9-67-66.2-89.700111.8A76 A77 A78 G84 F121 I124A76-M80 WeakPolarHBondContact O-CB 3.18Å; A76-M80 WeakPolarHBondContact O-CG 3.44Å; A76-M80 PolarHBondContact O-N 3.42Å; A77-M80 PolarHBondContact O-N 3.19Å; A78-M80 PolarHBondContact O-N 3.16Å; M80-G84 PolarHBondContact O-N 3.41Å; M80-F121 HydrophobicContact CE-CB 4.38Å; M80-F121 HydrophobicContact CE-CD1 3.41Å; M80-F121 VanDerWaalsContact CE-CD1 3.41Å; M80-F121 HydrophobicContact CE-CE1 3.97Å; M80-F121 HydrophobicContact CE-CG 4.16Å; M80-F121 WeakPolarHBondContact O-CB 3.35Å; M80-F121 HydrophobicContact SD-CD1 4.13Å; M80-F121 HydrophobicContact SD-CG 4.47Å; M80-I124 HydrophobicContact CE-CB 4.04Å; M80-I124 HydrophobicContact CE-CD1 3.6Å; M80-I124 HydrophobicContact CE-CG1 4.43Å; M80-I124 HydrophobicContact CE-CG2 3.81Å; M80-I124 HydrophobicContact CG-CG2 4.41Å
81L94.7Very high94.8Very high1 Ų141.7 Ų41.71%0.00523%0.225CC..Hα-helixtrans-65.4-44.9175.9-165.767.4000111.4L30 W35 L47 A77 A78 A79 G84 F85 Q122 L126L30-L81 HydrophobicContact CD2-CB 4.34Å; L30-L81 HydrophobicContact CD2-CD2 3.72Å; L30-L81 HydrophobicContact CD2-CG 4.01Å; L30-L81 HydrophobicContact CG-CD2 4.05Å; L30-L81 HydrophobicContact CG-CG 4.38Å; W35-L81 HydrophobicContact CH2-CD2 3.79Å; W35-L81 HydrophobicContact CZ2-CD2 3.69Å; L47-L81 HydrophobicContact CD2-CD2 3.62Å; A77-L81 PolarHBondContact O-N 3.23Å; A77-L81 VanDerWaalsContact O-N 3.08Å; A78-L81 PolarHBondContact O-N 3.04Å; A79-L81 PolarHBondContact O-N 3.4Å; L81-G84 PolarHBondContact O-N 3.45Å; L81-F85 WeakPolarHBondContact O-CB 3.49Å; L81-F85 PolarHBondContact O-N 3.37Å; L81-Q122 HydrophobicContact CD1-CB 4.35Å; L81-Q122 HydrophobicContact CD1-CG 4.13Å; L81-L126 HydrophobicContact CD1-CD1 3.79Å
82F95.4Very high94.9Very high101 Ų10141.1 Ų41.144%0.44322%0.224SC..Hα-helixtrans-66.1-42179.7-166.7-106.8000112.2L30 A78 A79 F85 I86L30-F82 HydrophobicContact CD1-CD2 4.31Å; L30-F82 HydrophobicContact CD2-CD2 4.4Å; A78-F82 VanDerWaalsContact O-CB 3.24Å; A78-F82 WeakPolarHBondContact O-CB 3.48Å; A78-F82 PolarHBondContact O-N 3.46Å; A79-F82 PolarHBondContact O-N 3.33Å; F82-F85 WeakPolarHBondContact O-CB 3.47Å; F82-F85 PolarHBondContact O-N 2.91Å; F82-I86 HydrophobicContact CD1-CD1 3.69Å; F82-I86 HydrophobicContact CD1-CG1 4.45Å; F82-I86 HydrophobicContact CE1-CD1 3.55Å; F82-I86 HydrophobicContact CE1-CG1 4.31Å; F82-I86 HydrophobicContact CZ-CD1 4.33Å; F82-I86 WeakPolarHBondContact O-CG1 3.25Å; F82-I86 PolarHBondContact O-N 2.91Å
83C96.5Very high94.9Very high57 Ų5741.7 Ų41.739%0.38522%0.217SC..Hα-helixtrans-61.6-44.3173.2-75.30000111.7A79 F85 I86 I87 F121A79-C83 VanDerWaalsContact O-CB 3.26Å; A79-C83 WeakPolarHBondContact O-CB 3.44Å; A79-C83 PolarHBondContact O-N 3.06Å; A79-C83 PolarHBondContact O-SG 3.37Å; C83-F85 VanDerWaalsContact C-N 3.34Å; C83-F85 PolarHBondContact O-N 3.43Å; C83-I86 PolarHBondContact O-N 3.3Å; C83-I87 WeakPolarHBondContact O-CG1 3.42Å; C83-I87 PolarHBondContact O-N 3.46Å; C83-I87 VanDerWaalsContact O-N 3.13Å; C83-F121 HydrophobicContact CB-CD2 4.31Å
84G96.1Very high94.7Very high0 Ų043.6 Ų43.60%023%0.229CC..Hα-helixtrans-58.7-45.1174.300000112.3M80 L81 I87 L88M80-G84 PolarHBondContact O-N 3.41Å; L81-G84 PolarHBondContact O-N 3.45Å; G84-I87 PolarHBondContact O-N 2.92Å; G84-L88 WeakPolarHBondContact O-CB 3.2Å; G84-L88 PolarHBondContact O-N 2.87Å
85F96.8Very high94.5Very high34 Ų3443.5 Ų43.515%0.14923%0.228CC..Hα-helixtrans-59.8-45.1176.4174.9-110.2000112.8I23 D26 I27 L30 L81 F82 C83 I87 L88 V89I23-F85 HydrophobicContact CG2-CE2 4.03Å; I23-F85 HydrophobicContact CG2-CZ 4.46Å; D26-F85 HydrophobicContact CB-CD2 3.54Å; D26-F85 HydrophobicContact CB-CE2 4.09Å; D26-F85 HydrophobicContact CB-CG 4.46Å; I27-F85 HydrophobicContact CD1-CE2 4.41Å; I27-F85 HydrophobicContact CD1-CZ 4.18Å; I27-F85 HydrophobicContact CG1-CE2 3.78Å; I27-F85 HydrophobicContact CG1-CZ 3.69Å; L30-F85 HydrophobicContact CD1-CB 4Å; L30-F85 HydrophobicContact CD1-CD1 3.98Å; L30-F85 HydrophobicContact CD1-CD2 4.39Å; L30-F85 HydrophobicContact CD1-CG 3.86Å; L81-F85 WeakPolarHBondContact O-CB 3.49Å; L81-F85 PolarHBondContact O-N 3.37Å; F82-F85 WeakPolarHBondContact O-CB 3.47Å; F82-F85 PolarHBondContact O-N 2.91Å; C83-F85 VanDerWaalsContact C-N 3.34Å; C83-F85 PolarHBondContact O-N 3.43Å; F85-I87 VanDerWaalsContact C-N 3.34Å; F85-I87 PolarHBondContact O-N 3.31Å; F85-L88 HydrophobicContact CD2-CD2 3.99Å; F85-L88 HydrophobicContact CE2-CD2 4.3Å; F85-L88 WeakPolarHBondContact O-CB 3.15Å; F85-L88 PolarHBondContact O-N 3.5Å; F85-V89 HydrophobicContact CD2-CG2 4.36Å; F85-V89 HydrophobicContact CE1-CG2 4.09Å; F85-V89 HydrophobicContact CE2-CG2 3.93Å; F85-V89 HydrophobicContact CZ-CG2 3.78Å; F85-V89 WeakPolarHBondContact O-CG2 3.17Å; F85-V89 PolarHBondContact O-N 3.4Å
86I97.4Very high94.1Very high74 Ų7441.3 Ų41.338%0.37922%0.222SC..Hα-helixtrans-59.2-46.7177.1-69.7165.6000110.8F82 C83 L88 V89 I90F82-I86 HydrophobicContact CD1-CD1 3.69Å; F82-I86 HydrophobicContact CD1-CG1 4.45Å; F82-I86 HydrophobicContact CE1-CD1 3.55Å; F82-I86 HydrophobicContact CE1-CG1 4.31Å; F82-I86 HydrophobicContact CZ-CD1 4.33Å; F82-I86 WeakPolarHBondContact O-CG1 3.25Å; F82-I86 PolarHBondContact O-N 2.91Å; C83-I86 PolarHBondContact O-N 3.3Å; I86-L88 VanDerWaalsContact C-N 3.29Å; I86-L88 PolarHBondContact O-N 3.08Å; I86-V89 PolarHBondContact O-N 3.48Å; I86-I90 HydrophobicContact CG2-CD1 3.98Å; I86-I90 WeakPolarHBondContact O-CG1 3.47Å; I86-I90 PolarHBondContact O-N 3.45Å
87I96.7Very high93.6Very high29 Ų2945.8 Ų45.815%0.14924%0.235CC..Hα-helixtrans-61.8-41.7178.7-63.4166.8000110.2C83 G84 F85 V89 I90 C91 L114 L117 A118 F121C83-I87 WeakPolarHBondContact O-CG1 3.42Å; C83-I87 PolarHBondContact O-N 3.46Å; C83-I87 VanDerWaalsContact O-N 3.13Å; G84-I87 PolarHBondContact O-N 2.92Å; F85-I87 VanDerWaalsContact C-N 3.34Å; F85-I87 PolarHBondContact O-N 3.31Å; I87-V89 PolarHBondContact O-N 3.33Å; I87-I90 PolarHBondContact O-N 2.98Å; I87-C91 WeakPolarHBondContact O-CB 3.24Å; I87-C91 PolarHBondContact O-N 2.73Å; I87-C91 PolarHBondContact O-SG 3.47Å; I87-L114 HydrophobicContact CG2-CB 4.19Å; I87-L114 HydrophobicContact CG2-CD2 4.4Å; I87-L114 WeakPolarHBondContact CG2-O 3.4Å; I87-L117 HydrophobicContact CD1-CD2 4.49Å; I87-A118 HydrophobicContact CB-CB 3.95Å; I87-A118 HydrophobicContact CG2-CB 3.82Å; I87-F121 HydrophobicContact CD1-CD2 3.87Å; I87-F121 HydrophobicContact CD1-CE2 3.77Å
88L96.4Very high92.9Very high0 Ų046 Ų460%024%0.236CC..Hα-helixtrans-61.1-42.6176.4163.9137.7000112.6A22 I23 G84 F85 I86 I90 C91 F92 L163A22-L88 HydrophobicContact CB-CD1 3.86Å; I23-L88 HydrophobicContact CB-CD2 4.1Å; I23-L88 HydrophobicContact CD1-CD2 4.4Å; I23-L88 HydrophobicContact CG1-CD2 3.25Å; I23-L88 HydrophobicContact CG1-CG 4.23Å; G84-L88 WeakPolarHBondContact O-CB 3.2Å; G84-L88 PolarHBondContact O-N 2.87Å; F85-L88 HydrophobicContact CD2-CD2 3.99Å; F85-L88 HydrophobicContact CE2-CD2 4.3Å; F85-L88 WeakPolarHBondContact O-CB 3.15Å; F85-L88 PolarHBondContact O-N 3.5Å; I86-L88 VanDerWaalsContact C-N 3.29Å; I86-L88 PolarHBondContact O-N 3.08Å; L88-I90 VanDerWaalsContact C-N 3.33Å; L88-I90 PolarHBondContact O-N 3.27Å; L88-C91 PolarHBondContact O-N 3.36Å; L88-F92 PolarHBondContact O-N 3.48Å; L88-L163 HydrophobicContact CB-CD2 4.3Å; L88-L163 HydrophobicContact CD1-CD1 3.38Å; L88-L163 HydrophobicContact CD1-CD2 3.78Å; L88-L163 HydrophobicContact CD1-CG 3.61Å
89V96.7Very high91.9Very high46 Ų4647 Ų4728%0.27924%0.241SC..Hα-helixtrans-61.8-42.7175.1172.40000111I23 F85 I86 I87 F92 I93I23-V89 HydrophobicContact CG1-CG2 4.45Å; F85-V89 HydrophobicContact CD2-CG2 4.36Å; F85-V89 HydrophobicContact CE1-CG2 4.09Å; F85-V89 HydrophobicContact CE2-CG2 3.93Å; F85-V89 HydrophobicContact CZ-CG2 3.78Å; F85-V89 WeakPolarHBondContact O-CG2 3.17Å; F85-V89 PolarHBondContact O-N 3.4Å; I86-V89 PolarHBondContact O-N 3.48Å; I87-V89 PolarHBondContact O-N 3.33Å; V89-F92 PolarHBondContact O-N 2.78Å; V89-I93 HydrophobicContact CG1-CD1 4.2Å; V89-I93 WeakPolarHBondContact O-CG1 3.48Å; V89-I93 PolarHBondContact O-N 3.32Å; V89-I93 VanDerWaalsContact O-N 3.11Å
90I94.9Very high90.8Very high85 Ų8548.8 Ų48.844%0.43625%0.249SC..Hα-helixtrans-61.8-47.3175.6-65.9166.6000110.4I86 I87 L88 F92 I93 L94I86-I90 HydrophobicContact CG2-CD1 3.98Å; I86-I90 WeakPolarHBondContact O-CG1 3.47Å; I86-I90 PolarHBondContact O-N 3.45Å; I87-I90 PolarHBondContact O-N 2.98Å; L88-I90 VanDerWaalsContact C-N 3.33Å; L88-I90 PolarHBondContact O-N 3.27Å; I90-F92 VanDerWaalsContact C-N 3.3Å; I90-F92 PolarHBondContact O-N 2.89Å; I90-I93 PolarHBondContact O-N 3.03Å; I90-L94 HydrophobicContact CG2-CD1 3.87Å; I90-L94 HydrophobicContact CG2-CG 4.27Å; I90-L94 WeakPolarHBondContact O-CG 2.98Å; I90-L94 PolarHBondContact O-N 3.18Å
91C93.8Very high89.4Confident0 Ų047.9 Ų47.90%025%0.252CS..Hα-helixtrans-60.6-38177.7-73.20000112.6I87 L88 L94 S95 I111 L114 L115I87-C91 WeakPolarHBondContact O-CB 3.24Å; I87-C91 PolarHBondContact O-N 2.73Å; I87-C91 PolarHBondContact O-SG 3.47Å; L88-C91 PolarHBondContact O-N 3.36Å; C91-L94 PolarHBondContact O-N 3.12Å; C91-S95 VanDerWaalsContact O-CB 3.27Å; C91-S95 WeakPolarHBondContact O-CB 3.4Å; C91-S95 PolarHBondContact O-N 3.34Å; C91-S95 PolarHBondContact O-OG 2.94Å; C91-I111 HydrophobicContact CB-CG2 4.15Å; C91-L114 WeakPolarHBondContact SG-CB 3.33Å; C91-L115 HydrophobicContact CB-CD1 4.45Å; C91-L115 HydrophobicContact CB-CD2 3.58Å; C91-L115 HydrophobicContact CB-CG 3.8Å
92F93.8Very high87.8Confident49 Ų4952.5 Ų52.522%0.21528%0.283CS..Hα-helixtrans-60.8-49.6174.3171.1-105.5000111.4P16 L19 L20 I23 L88 V89 I90 L94 S95 F96P16-F92 HydrophobicContact CB-CE2 4.45Å; P16-F92 WeakPolarHBondContact O-CE2 3.1Å; L19-F92 HydrophobicContact CB-CB 4.42Å; L19-F92 HydrophobicContact CB-CD2 3.96Å; L20-F92 HydrophobicContact CB-CE2 3.93Å; L20-F92 HydrophobicContact CB-CZ 4.43Å; L20-F92 HydrophobicContact CD1-CE1 4.48Å; L20-F92 HydrophobicContact CD1-CE2 4.31Å; L20-F92 HydrophobicContact CD1-CZ 4Å; I23-F92 HydrophobicContact CD1-CB 3.76Å; I23-F92 HydrophobicContact CD1-CD1 3.76Å; I23-F92 HydrophobicContact CD1-CD2 4.2Å; I23-F92 HydrophobicContact CD1-CE1 4.42Å; I23-F92 HydrophobicContact CD1-CG 3.63Å; L88-F92 PolarHBondContact O-N 3.48Å; V89-F92 PolarHBondContact O-N 2.78Å; I90-F92 VanDerWaalsContact C-N 3.3Å; I90-F92 PolarHBondContact O-N 2.89Å; F92-L94 PolarHBondContact O-N 3.34Å; F92-S95 PolarHBondContact O-N 2.89Å; F92-S95 PolarHBondContact O-OG 3.32Å; F92-F96 PolarHBondContact O-N 3.22Å
93I92.2Very high86.2Confident81 Ų8156.1 Ų56.142%0.41530%0.301SS..Hα-helixtrans-59.6-48.2178-65.1167.6000110.5V89 I90 S95 F96 F97V89-I93 HydrophobicContact CG1-CD1 4.2Å; V89-I93 WeakPolarHBondContact O-CG1 3.48Å; V89-I93 PolarHBondContact O-N 3.32Å; V89-I93 VanDerWaalsContact O-N 3.11Å; I90-I93 PolarHBondContact O-N 3.03Å; I93-S95 VanDerWaalsContact C-N 3.32Å; I93-S95 PolarHBondContact O-N 3.38Å; I93-F96 WeakPolarHBondContact O-CB 3.38Å; I93-F96 PolarHBondContact O-N 3.42Å; I93-F97 HydrophobicContact CG2-CD2 3.91Å; I93-F97 HydrophobicContact CG2-CE2 3.51Å; I93-F97 WeakPolarHBondContact O-CD2 3.49Å; I93-F97 PolarHBondContact O-N 3.22Å
94L89.4Confident84.6Confident73 Ų7357.5 Ų57.538%0.38230%0.302SS..Hα-helixtrans-62.4-38.6178.5-67176.8000112.1I90 C91 F92 F96 F97 A98 I111I90-L94 HydrophobicContact CG2-CD1 3.87Å; I90-L94 HydrophobicContact CG2-CG 4.27Å; I90-L94 WeakPolarHBondContact O-CG 2.98Å; I90-L94 PolarHBondContact O-N 3.18Å; C91-L94 PolarHBondContact O-N 3.12Å; F92-L94 PolarHBondContact O-N 3.34Å; L94-F96 PolarHBondContact O-N 3.45Å; L94-F97 PolarHBondContact O-N 2.96Å; L94-A98 VanDerWaalsContact O-CB 3.3Å; L94-A98 WeakPolarHBondContact O-CB 3.2Å; L94-A98 PolarHBondContact O-N 3.27Å; L94-I111 HydrophobicContact CB-CD1 3.86Å; L94-I111 HydrophobicContact CB-CG1 4Å
95S87.3Confident83.1Confident0 Ų058.8 Ų58.80%031%0.309CS..Hα-helixtrans-63.8-40.2177.375.50000111.9C91 F92 I93 F97 A98 L99C91-S95 VanDerWaalsContact O-CB 3.27Å; C91-S95 WeakPolarHBondContact O-CB 3.4Å; C91-S95 PolarHBondContact O-N 3.34Å; C91-S95 PolarHBondContact O-OG 2.94Å; F92-S95 PolarHBondContact O-N 2.89Å; F92-S95 PolarHBondContact O-OG 3.32Å; I93-S95 VanDerWaalsContact C-N 3.32Å; I93-S95 PolarHBondContact O-N 3.38Å; S95-F97 VanDerWaalsContact C-N 3.34Å; S95-F97 PolarHBondContact O-N 2.99Å; S95-A98 PolarHBondContact O-N 3.28Å; S95-L99 WeakPolarHBondContact O-CB 3.5Å; S95-L99 WeakPolarHBondContact O-CD1 3.49Å; S95-L99 WeakPolarHBondContact O-CG 3.48Å; S95-L99 PolarHBondContact O-N 3.48Å
96F85.1Confident81.9Confident96 Ų9662.7 Ų62.742%0.42134%0.336SS..Hα-helixtrans-60.2-44.9177.5-173.5-93.2000111.5W13 F92 I93 L94 C100W13-F96 HydrophobicContact CH2-CD2 4.47Å; W13-F96 AromaticContact CH2-CE2 3.98Å; W13-F96 HydrophobicContact CH2-CE2 3.98Å; W13-F96 HydrophobicContact CH2-CZ 4.44Å; W13-F96 AromaticContact CZ3-CD2 3.77Å; W13-F96 HydrophobicContact CZ3-CD2 3.77Å; W13-F96 AromaticContact CZ3-CE2 3.56Å; W13-F96 HydrophobicContact CZ3-CE2 3.56Å; W13-F96 HydrophobicContact CZ3-CZ 4.44Å; F92-F96 PolarHBondContact O-N 3.22Å; I93-F96 WeakPolarHBondContact O-CB 3.38Å; I93-F96 PolarHBondContact O-N 3.42Å; L94-F96 PolarHBondContact O-N 3.45Å; F96-C100 PolarHBondContact O-N 2.99Å
97F83.8Confident80.9Confident136 Ų13664.9 Ų64.960%0.59634%0.343SS*.Hα-helixtrans-69.3-41.9176.3-68.9-62.7000112.6I93 L94 S95 L99 C100I93-F97 HydrophobicContact CG2-CD2 3.91Å; I93-F97 HydrophobicContact CG2-CE2 3.51Å; I93-F97 WeakPolarHBondContact O-CD2 3.49Å; I93-F97 PolarHBondContact O-N 3.22Å; L94-F97 PolarHBondContact O-N 2.96Å; S95-F97 VanDerWaalsContact C-N 3.34Å; S95-F97 PolarHBondContact O-N 2.99Å; F97-L99 VanDerWaalsContact C-N 3.31Å; F97-L99 PolarHBondContact O-N 2.98Å; F97-C100 WeakPolarHBondContact O-CB 3.48Å; F97-C100 PolarHBondContact O-N 2.88Å
98A78.4Confident80.3Confident5 Ų563.5 Ų63.54%0.04134%0.336CS..Hα-helixtrans-65.1-33.6-178.400000112.8L94 S95 C100 M104 L108 I111L94-A98 VanDerWaalsContact O-CB 3.3Å; L94-A98 WeakPolarHBondContact O-CB 3.2Å; L94-A98 PolarHBondContact O-N 3.27Å; S95-A98 PolarHBondContact O-N 3.28Å; A98-C100 VanDerWaalsContact C-N 3.32Å; A98-M104 HydrophobicContact CB-CB 4.14Å; A98-L108 HydrophobicContact CB-CD1 3.95Å; A98-I111 HydrophobicContact CB-CD1 4.04Å
99L72.9Confident79.8Confident22 Ų2269.9 Ų69.912%0.11536%0.36CS..THydrogen-bonded Turntrans-82.8-9.1178.9-72.5152.7000112.8R12 P16 S95 F97R12-L99 VanDerWaalsContact CD-O 3.24Å; R12-L99 WeakPolarHBondContact CD-O 3.28Å; R12-L99 HydrophobicContact CG-CB 3.98Å; R12-L99 HydrophobicContact CG-CD2 3.65Å; R12-L99 HydrophobicContact CG-CG 4.4Å; R12-L99 PolarHBondContact NH1-O 2.88Å; P16-L99 HydrophobicContact CG-CD1 3.23Å; S95-L99 WeakPolarHBondContact O-CB 3.5Å; S95-L99 WeakPolarHBondContact O-CD1 3.49Å; S95-L99 WeakPolarHBondContact O-CG 3.48Å; S95-L99 PolarHBondContact O-N 3.48Å; F97-L99 VanDerWaalsContact C-N 3.31Å; F97-L99 PolarHBondContact O-N 2.98Å
100C73Confident79.5Confident88 Ų8871.8 Ų71.860%0.59537%0.371SS*.THydrogen-bonded Turntrans-81-24.1177.2-163.10000113F96 F97 A98F96-C100 PolarHBondContact O-N 2.99Å; F97-C100 WeakPolarHBondContact O-CB 3.48Å; F97-C100 PolarHBondContact O-N 2.88Å; A98-C100 VanDerWaalsContact C-N 3.32Å
101G66.8Low79.3Confident28 Ų2867.9 Ų67.929%0.28935%0.351SS..  trans-133.8141.5-175.300000114.8Q103 M104G101-Q103 VanDerWaalsContact C-N 3.29Å; G101-Q103 PolarHBondContact O-N 3.48Å; G101-M104 PolarHBondContact O-N 2.99Å
102P60.4Low79.3Confident99 Ų9967.9 Ų67.964%0.64335%0.351SS*.G310 helixtrans-68.6-20.4-176.425.7-33.2000114.4M104P102-M104 VanDerWaalsContact C-N 3.3Å; P102-M104 PolarHBondContact O-N 3.46Å
103Q60.9Low79.2Confident177 Ų17767.3 Ų67.383%0.82736%0.359SS*.G310 helixtrans-80-5.6-177-158.6114.1-9.200114.1G101G101-Q103 VanDerWaalsContact C-N 3.29Å; G101-Q103 PolarHBondContact O-N 3.48Å
104M62.7Low79.4Confident85 Ų8566.2 Ų66.242%0.41935%0.354SS..G310 helixtrans-100.38.8-168.4-64.2-64.4-170.700114.7A98 G101 P102 V106 F107A98-M104 HydrophobicContact CB-CB 4.14Å; G101-M104 PolarHBondContact O-N 2.99Å; P102-M104 VanDerWaalsContact C-N 3.3Å; P102-M104 PolarHBondContact O-N 3.46Å; M104-V106 VanDerWaalsContact C-N 3.27Å; M104-V106 PolarHBondContact O-N 3.11Å; M104-F107 HydrophobicContact CB-CD2 4.39Å; M104-F107 WeakPolarHBondContact O-CB 3.38Å; M104-F107 PolarHBondContact O-N 3.26Å; M104-F107 VanDerWaalsContact O-N 3.07Å; M104-F107 HydrophobicContact SD-CD2 3.61Å; M104-F107 HydrophobicContact SD-CE2 3.68Å
105L65.7Low79.7Confident27 Ų2762.8 Ų62.814%0.14134%0.336CS..Hα-helixtrans-68.1-22.8-175-68.3175.6000114F107 L108 E177 L181L105-F107 VanDerWaalsContact C-N 3.31Å; L105-F107 PolarHBondContact O-N 3.02Å; L105-L108 HydrophobicContact CD2-CD1 4.44Å; L105-L108 WeakPolarHBondContact O-CB 3.43Å; L105-L108 PolarHBondContact O-N 3.06Å; L105-E177 HydrophobicContact CD1-CB 4.22Å; L105-E177 HydrophobicContact CD1-CG 3.47Å; L105-E177 VanDerWaalsContact CD1-CG 3.47Å; L105-E177 VanDerWaalsContact CD1-OE1 3.29Å; L105-E177 WeakPolarHBondContact CD1-OE1 3.35Å; L105-L181 HydrophobicContact CD1-CD1 4.41Å
106V71.3Confident80.1Confident116 Ų11664.8 Ų64.870%0.70335%0.352SS*.Hα-helixtrans-64.7-35.3171.3-179.90000111.8M104 L108M104-V106 VanDerWaalsContact C-N 3.27Å; M104-V106 PolarHBondContact O-N 3.11Å; V106-L108 PolarHBondContact O-N 3.03Å
107F77.3Confident80.6Confident121 Ų12164 Ų6453%0.53135%0.352SS..Hα-helixtrans-72.1-18.3178.6-67.2-76.7000112.8M104 L105 R109 V110 I111M104-F107 HydrophobicContact CB-CD2 4.39Å; M104-F107 WeakPolarHBondContact O-CB 3.38Å; M104-F107 PolarHBondContact O-N 3.26Å; M104-F107 VanDerWaalsContact O-N 3.07Å; M104-F107 HydrophobicContact SD-CD2 3.61Å; M104-F107 HydrophobicContact SD-CE2 3.68Å; L105-F107 VanDerWaalsContact C-N 3.31Å; L105-F107 PolarHBondContact O-N 3.02Å; F107-R109 VanDerWaalsContact C-N 3.27Å; F107-R109 PolarHBondContact O-N 3.33Å; F107-V110 WeakPolarHBondContact O-CB 3.49Å; F107-V110 PolarHBondContact O-N 3.46Å; F107-V110 VanDerWaalsContact O-N 3.14Å; F107-I111 WeakPolarHBondContact O-CG1 3.3Å; F107-I111 PolarHBondContact O-N 3.42Å
108L82.7Confident81.3Confident0 Ų057.5 Ų57.50%032%0.324CS..Hα-helixtrans-61.2-36.7179.6-130.684.8000112.4A98 L105 V106 V110 I111 G112 F170 L173 P174A98-L108 HydrophobicContact CB-CD1 3.95Å; L105-L108 HydrophobicContact CD2-CD1 4.44Å; L105-L108 WeakPolarHBondContact O-CB 3.43Å; L105-L108 PolarHBondContact O-N 3.06Å; V106-L108 PolarHBondContact O-N 3.03Å; L108-V110 VanDerWaalsContact C-N 3.33Å; L108-V110 PolarHBondContact O-N 3.41Å; L108-I111 PolarHBondContact O-N 3Å; L108-G112 PolarHBondContact O-N 2.89Å; L108-F170 HydrophobicContact CD1-CD1 4.3Å; L108-F170 HydrophobicContact CD1-CE1 4.39Å; L108-F170 HydrophobicContact CD2-CD1 3.7Å; L108-F170 HydrophobicContact CD2-CE1 4.35Å; L108-F170 HydrophobicContact CG-CD1 3.62Å; L108-F170 HydrophobicContact CG-CE1 4.2Å; L108-L173 HydrophobicContact CD2-CB 3.97Å; L108-L173 HydrophobicContact CD2-CD2 3.61Å; L108-L173 HydrophobicContact CD2-CG 4.35Å; L108-P174 HydrophobicContact CB-CG 4.05Å
109R86.8Confident82.2Confident133 Ų13357.4 Ų57.450%0.50232%0.323SS..Hα-helixtrans-68.9-34.1178.3-155.2166.1-171.2132.2-3.5112.1F107 G112 G113 P174 N175F107-R109 VanDerWaalsContact C-N 3.27Å; F107-R109 PolarHBondContact O-N 3.33Å; R109-G112 PolarHBondContact O-N 3.4Å; R109-G113 PolarHBondContact O-N 3.45Å; R109-P174 HydrophobicContact CB-CG 4.47Å; R109-N175 PolarHBondContact NH1-OD1 2.91Å
110V89.9Confident83.3Confident87 Ų8759.9 Ų59.953%0.52734%0.339SS..Hα-helixtrans-67.7-43.6174-179.80000110.3F107 L108 G112 G113 L114F107-V110 WeakPolarHBondContact O-CB 3.49Å; F107-V110 PolarHBondContact O-N 3.46Å; F107-V110 VanDerWaalsContact O-N 3.14Å; L108-V110 VanDerWaalsContact C-N 3.33Å; L108-V110 PolarHBondContact O-N 3.41Å; V110-G112 VanDerWaalsContact C-N 3.33Å; V110-G112 PolarHBondContact O-N 3.05Å; V110-G113 PolarHBondContact O-N 3.09Å; V110-L114 HydrophobicContact CG1-CD1 4.01Å; V110-L114 WeakPolarHBondContact O-CG 3.15Å; V110-L114 PolarHBondContact O-N 3.26Å
111I91.8Very high84.5Confident3 Ų358.3 Ų58.32%0.01532%0.322CS..Hα-helixtrans-59.8-44.9175-63.8166.3000110.5C91 L94 A98 F107 L108 G113 L114 L115 F170C91-I111 HydrophobicContact CB-CG2 4.15Å; L94-I111 HydrophobicContact CB-CD1 3.86Å; L94-I111 HydrophobicContact CB-CG1 4Å; A98-I111 HydrophobicContact CB-CD1 4.04Å; F107-I111 WeakPolarHBondContact O-CG1 3.3Å; F107-I111 PolarHBondContact O-N 3.42Å; L108-I111 PolarHBondContact O-N 3Å; I111-G113 VanDerWaalsContact C-N 3.35Å; I111-G113 PolarHBondContact O-N 3.41Å; I111-L114 PolarHBondContact O-N 2.91Å; I111-L115 HydrophobicContact CG2-CD1 4.02Å; I111-L115 HydrophobicContact CG2-CG 4.47Å; I111-L115 WeakPolarHBondContact O-CB 3.21Å; I111-L115 WeakPolarHBondContact O-CG 3.23Å; I111-L115 PolarHBondContact O-N 3.44Å; I111-F170 HydrophobicContact CG2-CD2 4.37Å
112G92.1Very high85.9Confident0 Ų057 Ų570%031%0.308CS..Hα-helixtrans-59.1-42.9175.500000113L108 R109 V110 L115 A116L108-G112 PolarHBondContact O-N 2.89Å; R109-G112 PolarHBondContact O-N 3.4Å; V110-G112 VanDerWaalsContact C-N 3.33Å; V110-G112 PolarHBondContact O-N 3.05Å; G112-L115 PolarHBondContact O-N 2.96Å; G112-A116 PolarHBondContact O-N 3.26Å
113G93.2Very high87.6Confident37 Ų3755 Ų5538%0.38129%0.291SS..Hα-helixtrans-64.3-42.6175.400000113.4R109 V110 I111 A116 L117R109-G113 PolarHBondContact O-N 3.45Å; V110-G113 PolarHBondContact O-N 3.09Å; I111-G113 VanDerWaalsContact C-N 3.35Å; I111-G113 PolarHBondContact O-N 3.41Å; G113-A116 PolarHBondContact O-N 2.86Å; G113-L117 PolarHBondContact O-N 3.17Å
114L95.3Very high89.3Confident58 Ų5849.4 Ų49.430%0.30427%0.267SS..Hα-helixtrans-64.4-40175.6-76.4160.4000111.9I87 C91 V110 I111 L117 A118I87-L114 HydrophobicContact CG2-CB 4.19Å; I87-L114 HydrophobicContact CG2-CD2 4.4Å; I87-L114 WeakPolarHBondContact CG2-O 3.4Å; C91-L114 WeakPolarHBondContact SG-CB 3.33Å; V110-L114 HydrophobicContact CG1-CD1 4.01Å; V110-L114 WeakPolarHBondContact O-CG 3.15Å; V110-L114 PolarHBondContact O-N 3.26Å; I111-L114 PolarHBondContact O-N 2.91Å; L114-L117 WeakPolarHBondContact O-CB 3.45Å; L114-L117 PolarHBondContact O-N 3.32Å; L114-A118 PolarHBondContact O-N 3.39Å
115L96.2Very high90.8Very high0 Ų045.4 Ų45.40%025%0.247CC..Hα-helixtrans-65-38174.2-75.2169.8000112.3L19 C91 I111 G112 L117 A118 A119 L163 C166 A167 F170L19-L115 HydrophobicContact CD1-CD1 4.37Å; L19-L115 HydrophobicContact CD2-CD1 3.98Å; L19-L115 HydrophobicContact CD2-CD2 3.8Å; C91-L115 HydrophobicContact CB-CD1 4.45Å; C91-L115 HydrophobicContact CB-CD2 3.58Å; C91-L115 HydrophobicContact CB-CG 3.8Å; I111-L115 HydrophobicContact CG2-CD1 4.02Å; I111-L115 HydrophobicContact CG2-CG 4.47Å; I111-L115 WeakPolarHBondContact O-CB 3.21Å; I111-L115 WeakPolarHBondContact O-CG 3.23Å; I111-L115 PolarHBondContact O-N 3.44Å; G112-L115 PolarHBondContact O-N 2.96Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-A118 PolarHBondContact O-N 3.28Å; L115-A119 WeakPolarHBondContact O-CB 3.4Å; L115-A119 PolarHBondContact O-N 2.95Å; L115-L163 HydrophobicContact CD2-CD2 4.36Å; L115-C166 HydrophobicContact CD1-CB 4.26Å; L115-A167 HydrophobicContact CB-CB 3.85Å; L115-F170 HydrophobicContact CD1-CD2 3.41Å; L115-F170 VanDerWaalsContact CD1-CD2 3.41Å; L115-F170 HydrophobicContact CD1-CE2 3.7Å
116A95.9Very high92.2Very high42 Ų4244.1 Ų44.135%0.34724%0.24SC..Hα-helixtrans-62.9-42.2173.700000111.4G112 G113 A119 V120 A167G112-A116 PolarHBondContact O-N 3.26Å; G113-A116 PolarHBondContact O-N 2.86Å; A116-A119 PolarHBondContact O-N 2.65Å; A116-V120 WeakPolarHBondContact O-CG2 3.3Å; A116-V120 PolarHBondContact O-N 2.83Å; A116-A167 HydrophobicContact CB-CB 4.11Å
117L96.3Very high93.3Very high79 Ų7941.9 Ų41.941%0.41423%0.227SC..Hα-helixtrans-62.5-44.1174.6-179.263.4000111.8I87 G113 L114 L115 A119 V120 F121I87-L117 HydrophobicContact CD1-CD2 4.49Å; G113-L117 PolarHBondContact O-N 3.17Å; L114-L117 WeakPolarHBondContact O-CB 3.45Å; L114-L117 PolarHBondContact O-N 3.32Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.26Å; L117-V120 PolarHBondContact O-N 3.28Å; L117-F121 HydrophobicContact CD1-CE1 4.1Å; L117-F121 HydrophobicContact CD1-CE2 4.29Å; L117-F121 HydrophobicContact CD1-CZ 3.86Å; L117-F121 HydrophobicContact CD2-CE2 4.5Å; L117-F121 HydrophobicContact CG-CE2 4.11Å; L117-F121 HydrophobicContact CG-CZ 4.18Å; L117-F121 PolarHBondContact O-N 3.47Å; L117-F121 VanDerWaalsContact O-N 3.16Å
118A97.3Very high94.1Very high0 Ų038.5 Ų38.50%021%0.214CC..Hα-helixtrans-59-44.8175.200000111.6I87 L114 L115 V120 F121 Q122 L163I87-A118 HydrophobicContact CB-CB 3.95Å; I87-A118 HydrophobicContact CG2-CB 3.82Å; L114-A118 PolarHBondContact O-N 3.39Å; L115-A118 PolarHBondContact O-N 3.28Å; A118-V120 VanDerWaalsContact C-N 3.32Å; A118-V120 PolarHBondContact O-N 3.02Å; A118-F121 PolarHBondContact O-N 3.33Å; A118-Q122 WeakPolarHBondContact O-CG 3.22Å; A118-Q122 PolarHBondContact O-N 3.25Å; A118-L163 HydrophobicContact CB-CD2 3.64Å
119A97.1Very high94.6Very high4 Ų438.6 Ų38.63%0.03321%0.214CC..Hα-helixtrans-59.8-41.1176.700000112L115 A116 L117 F121 Q122 I123 L163 I164L115-A119 WeakPolarHBondContact O-CB 3.4Å; L115-A119 PolarHBondContact O-N 2.95Å; A116-A119 PolarHBondContact O-N 2.65Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 3.26Å; A119-F121 PolarHBondContact O-N 3Å; A119-Q122 PolarHBondContact O-N 2.91Å; A119-I123 VanDerWaalsContact O-CG1 3.22Å; A119-I123 WeakPolarHBondContact O-CG1 3.48Å; A119-I123 PolarHBondContact O-N 3.01Å; A119-L163 HydrophobicContact CB-CB 4.06Å; A119-I164 HydrophobicContact CB-CG1 3.83Å
120V97.4Very high94.8Very high73 Ų7333 Ų3344%0.44220%0.195SC..Hα-helixtrans-59.9-45.4175.8170.30000111.2A116 L117 A118 Q122 I123 I124A116-V120 WeakPolarHBondContact O-CG2 3.3Å; A116-V120 PolarHBondContact O-N 2.83Å; L117-V120 PolarHBondContact O-N 3.28Å; A118-V120 VanDerWaalsContact C-N 3.32Å; A118-V120 PolarHBondContact O-N 3.02Å; V120-Q122 PolarHBondContact O-N 3.19Å; V120-I123 PolarHBondContact O-N 3.01Å; V120-I124 HydrophobicContact CG1-CD1 3.78Å; V120-I124 HydrophobicContact CG1-CG1 4.49Å; V120-I124 WeakPolarHBondContact O-CD1 3.5Å; V120-I124 VanDerWaalsContact O-CG1 3.23Å; V120-I124 WeakPolarHBondContact O-CG1 3.32Å; V120-I124 PolarHBondContact O-N 2.94Å
121F97.2Very high94.9Very high55 Ų5531.9 Ų31.924%0.24119%0.188CC..Hα-helixtrans-63.5-40.9177.1-66.3-21.9000112.8M80 C83 I87 L117 A118 A119 I124 S125M80-F121 HydrophobicContact CE-CB 4.38Å; M80-F121 HydrophobicContact CE-CD1 3.41Å; M80-F121 VanDerWaalsContact CE-CD1 3.41Å; M80-F121 HydrophobicContact CE-CE1 3.97Å; M80-F121 HydrophobicContact CE-CG 4.16Å; M80-F121 WeakPolarHBondContact O-CB 3.35Å; M80-F121 HydrophobicContact SD-CD1 4.13Å; M80-F121 HydrophobicContact SD-CG 4.47Å; C83-F121 HydrophobicContact CB-CD2 4.31Å; I87-F121 HydrophobicContact CD1-CD2 3.87Å; I87-F121 HydrophobicContact CD1-CE2 3.77Å; L117-F121 HydrophobicContact CD1-CE1 4.1Å; L117-F121 HydrophobicContact CD1-CE2 4.29Å; L117-F121 HydrophobicContact CD1-CZ 3.86Å; L117-F121 HydrophobicContact CD2-CE2 4.5Å; L117-F121 HydrophobicContact CG-CE2 4.11Å; L117-F121 HydrophobicContact CG-CZ 4.18Å; L117-F121 PolarHBondContact O-N 3.47Å; L117-F121 VanDerWaalsContact O-N 3.16Å; A118-F121 PolarHBondContact O-N 3.33Å; A119-F121 PolarHBondContact O-N 3Å; F121-I124 PolarHBondContact O-N 2.85Å; F121-S125 PolarHBondContact O-N 2.68Å; F121-S125 VanDerWaalsContact O-N 3.09Å
122Q96.4Very high94.9Very high0 Ų035.8 Ų35.80%021%0.205CC..Hα-helixtrans-63.5-48.9175.3-65-173.1-0.700111.2D26 L81 A118 A119 V120 I124 S125 L126 T160D26-Q122 PolarHBondContact OD1-NE2 3.49Å; D26-Q122 PolarHBondContact OD2-NE2 3.11Å; L81-Q122 HydrophobicContact CD1-CB 4.35Å; L81-Q122 HydrophobicContact CD1-CG 4.13Å; A118-Q122 WeakPolarHBondContact O-CG 3.22Å; A118-Q122 PolarHBondContact O-N 3.25Å; A119-Q122 PolarHBondContact O-N 2.91Å; V120-Q122 PolarHBondContact O-N 3.19Å; Q122-I124 VanDerWaalsContact C-N 3.28Å; Q122-I124 PolarHBondContact O-N 2.76Å; Q122-S125 WeakPolarHBondContact O-CB 2.95Å; Q122-S125 PolarHBondContact O-N 2.89Å; Q122-L126 HydrophobicContact CB-CD1 4.25Å; Q122-L126 WeakPolarHBondContact O-CD1 3.38Å; Q122-L126 PolarHBondContact O-N 3.36Å; Q122-T160 HydrophobicContact CB-CG2 4.38Å; Q122-T160 PolarHBondContact OE1-OG1 2.81Å
123I97.2Very high94.7Very high57 Ų5735.8 Ų35.829%0.29221%0.205SC..Hα-helixtrans-54.1-46.5176.5-67.8165.9000111A119 V120 S125 L126 V127 T160 I164A119-I123 VanDerWaalsContact O-CG1 3.22Å; A119-I123 WeakPolarHBondContact O-CG1 3.48Å; A119-I123 PolarHBondContact O-N 3.01Å; V120-I123 PolarHBondContact O-N 3.01Å; I123-S125 VanDerWaalsContact C-N 3.32Å; I123-S125 PolarHBondContact O-N 3.22Å; I123-L126 PolarHBondContact O-N 3.4Å; I123-V127 HydrophobicContact CG2-CG2 4.27Å; I123-V127 WeakPolarHBondContact O-CG2 3.33Å; I123-V127 PolarHBondContact O-N 3.25Å; I123-T160 HydrophobicContact CD1-CG2 4.27Å; I123-T160 HydrophobicContact CG1-CG2 3.51Å; I123-I164 HydrophobicContact CD1-CD1 4.16Å
124I95.9Very high94.5Very high61 Ų6136.5 Ų36.531%0.31320%0.202SC..Hα-helixtrans-59-45.5179.3-69.7165.6000110.5M80 V120 F121 Q122 V127 I128M80-I124 HydrophobicContact CE-CB 4.04Å; M80-I124 HydrophobicContact CE-CD1 3.6Å; M80-I124 HydrophobicContact CE-CG1 4.43Å; M80-I124 HydrophobicContact CE-CG2 3.81Å; M80-I124 HydrophobicContact CG-CG2 4.41Å; V120-I124 HydrophobicContact CG1-CD1 3.78Å; V120-I124 HydrophobicContact CG1-CG1 4.49Å; V120-I124 WeakPolarHBondContact O-CD1 3.5Å; V120-I124 VanDerWaalsContact O-CG1 3.23Å; V120-I124 WeakPolarHBondContact O-CG1 3.32Å; V120-I124 PolarHBondContact O-N 2.94Å; F121-I124 PolarHBondContact O-N 2.85Å; Q122-I124 VanDerWaalsContact C-N 3.28Å; Q122-I124 PolarHBondContact O-N 2.76Å; I124-V127 PolarHBondContact O-N 3.33Å; I124-I128 HydrophobicContact CG2-CD1 3.44Å; I124-I128 VanDerWaalsContact CG2-CD1 3.44Å; I124-I128 HydrophobicContact CG2-CG1 4.19Å; I124-I128 VanDerWaalsContact O-CB 3.3Å; I124-I128 WeakPolarHBondContact O-CB 3.34Å; I124-I128 WeakPolarHBondContact O-CG1 3.32Å; I124-I128 PolarHBondContact O-N 2.79Å
125S94.7Very high94.1Very high0 Ų039.4 Ų39.40%021%0.214CC..Hα-helixtrans-59.9-49.5176-176.70000112.4A77 F121 Q122 I123 V127 I128 Y129A77-S125 VanDerWaalsContact O-CB 3.32Å; A77-S125 WeakPolarHBondContact O-CB 3.37Å; A77-S125 PolarHBondContact O-OG 3.25Å; F121-S125 PolarHBondContact O-N 2.68Å; F121-S125 VanDerWaalsContact O-N 3.09Å; Q122-S125 WeakPolarHBondContact O-CB 2.95Å; Q122-S125 PolarHBondContact O-N 2.89Å; I123-S125 VanDerWaalsContact C-N 3.32Å; I123-S125 PolarHBondContact O-N 3.22Å; S125-V127 VanDerWaalsContact C-N 3.26Å; S125-V127 PolarHBondContact O-N 2.87Å; S125-I128 PolarHBondContact O-N 3.22Å; S125-Y129 WeakPolarHBondContact O-CB 3.5Å; S125-Y129 PolarHBondContact O-N 3.32Å
126L94.3Very high93.7Very high0 Ų042 Ų420%023%0.231CC..Hα-helixtrans-67.3-24-176.5-8389.2000113.6L81 Q122 I123 P130 Y153 G156 W157L81-L126 HydrophobicContact CD1-CD1 3.79Å; Q122-L126 HydrophobicContact CB-CD1 4.25Å; Q122-L126 WeakPolarHBondContact O-CD1 3.38Å; Q122-L126 PolarHBondContact O-N 3.36Å; I123-L126 PolarHBondContact O-N 3.4Å; L126-P130 WeakPolarHBondContact O-CD 3.22Å; L126-P130 WeakPolarHBondContact O-CG 3.46Å; L126-Y153 HydrophobicContact CB-CE2 4.41Å; L126-Y153 HydrophobicContact CD2-CE2 4.46Å; L126-Y153 HydrophobicContact CG-CE2 4.44Å; L126-Y153 PolarHBondContact O-OH 2.86Å; L126-G156 VanDerWaalsContact CD2-C 3.42Å; L126-W157 HydrophobicContact CB-CH2 4.29Å; L126-W157 HydrophobicContact CB-CZ2 3.82Å; L126-W157 HydrophobicContact CD2-CB 4.1Å; L126-W157 HydrophobicContact CD2-CD2 3.52Å; L126-W157 HydrophobicContact CD2-CE3 4.18Å; L126-W157 HydrophobicContact CD2-CG 3.46Å; L126-W157 VanDerWaalsContact CD2-CG 3.46Å; L126-W157 HydrophobicContact CD2-CZ2 4.32Å; L126-W157 VanDerWaalsContact CD2-N 3.28Å
127V95.5Very high93Very high69 Ų6942.1 Ų42.142%0.41822%0.223SC..Hα-helixtrans-88.6-41174174.80000111.6I123 I124 S125 Y129 P130 V131 W157I123-V127 HydrophobicContact CG2-CG2 4.27Å; I123-V127 WeakPolarHBondContact O-CG2 3.33Å; I123-V127 PolarHBondContact O-N 3.25Å; I124-V127 PolarHBondContact O-N 3.33Å; S125-V127 VanDerWaalsContact C-N 3.26Å; S125-V127 PolarHBondContact O-N 2.87Å; V127-Y129 VanDerWaalsContact C-N 3.34Å; V127-Y129 PolarHBondContact O-N 2.99Å; V127-P130 VanDerWaalsContact O-CD 3.29Å; V127-P130 WeakPolarHBondContact O-CD 3.48Å; V127-P130 VanDerWaalsContact O-CG 3.29Å; V127-P130 WeakPolarHBondContact O-CG 3.47Å; V127-V131 HydrophobicContact CG1-CG2 4.32Å; V127-V131 WeakPolarHBondContact O-CB 3.29Å; V127-V131 VanDerWaalsContact O-CG2 3.23Å; V127-V131 WeakPolarHBondContact O-CG2 3.48Å; V127-V131 PolarHBondContact O-N 3.48Å; V127-W157 HydrophobicContact CG2-CH2 4.16Å; V127-W157 HydrophobicContact CG2-CZ2 4.42Å
128I94.1Very high92.1Very high51 Ų5140.8 Ų40.826%0.26222%0.224SC..Hα-helixtrans-63.6-42.7179.8-73.5176.5000110.8W73 A77 I124 S125 V131 K132W73-I128 HydrophobicContact CB-CG2 4.4Å; A77-I128 HydrophobicContact CB-CG2 4.33Å; I124-I128 HydrophobicContact CG2-CD1 3.44Å; I124-I128 VanDerWaalsContact CG2-CD1 3.44Å; I124-I128 HydrophobicContact CG2-CG1 4.19Å; I124-I128 VanDerWaalsContact O-CB 3.3Å; I124-I128 WeakPolarHBondContact O-CB 3.34Å; I124-I128 WeakPolarHBondContact O-CG1 3.32Å; I124-I128 PolarHBondContact O-N 2.79Å; S125-I128 PolarHBondContact O-N 3.22Å; I128-V131 PolarHBondContact O-N 2.82Å; I128-K132 HydrophobicContact CG2-CG 3.96Å; I128-K132 VanDerWaalsContact O-CB 3.32Å; I128-K132 WeakPolarHBondContact O-CB 3.27Å; I128-K132 WeakPolarHBondContact O-CG 3.49Å; I128-K132 PolarHBondContact O-N 3.49Å
129Y92.3Very high90.9Very high1 Ų142.1 Ų42.10%0.00423%0.231CC..Hα-helixtrans-52.7-62.1-178.9-177.9-90000112.6W35 S46 L47 L68 W73 S125 V127 V131 K132 Y133W35-Y129 HydrophobicContact CB-CE1 4.03Å; W35-Y129 HydrophobicContact CD2-CE1 4.47Å; W35-Y129 AromaticContact CE3-CD1 3.65Å; W35-Y129 HydrophobicContact CE3-CD1 3.65Å; W35-Y129 HydrophobicContact CE3-CD2 4.2Å; W35-Y129 AromaticContact CE3-CE1 3.76Å; W35-Y129 HydrophobicContact CE3-CE1 3.76Å; W35-Y129 HydrophobicContact CE3-CE2 4.29Å; W35-Y129 AromaticContact CE3-CG 3.88Å; W35-Y129 HydrophobicContact CE3-CG 3.88Å; W35-Y129 HydrophobicContact CZ3-CD1 4.16Å; W35-Y129 HydrophobicContact CZ3-CD2 4.45Å; W35-Y129 HydrophobicContact CZ3-CG 4.04Å; S46-Y129 PolarHBondContact O-OH 2.98Å; L47-Y129 HydrophobicContact CD1-CD2 3.87Å; L47-Y129 HydrophobicContact CD1-CE2 4.26Å; L68-Y129 HydrophobicContact CD2-CE2 3.81Å; W73-Y129 HydrophobicContact CZ3-CD2 4.29Å; S125-Y129 WeakPolarHBondContact O-CB 3.5Å; S125-Y129 PolarHBondContact O-N 3.32Å; V127-Y129 VanDerWaalsContact C-N 3.34Å; V127-Y129 PolarHBondContact O-N 2.99Å; Y129-V131 PolarHBondContact O-N 3.42Å; Y129-K132 PolarHBondContact O-N 2.96Å; Y129-Y133 WeakPolarHBondContact O-CB 3.42Å; Y129-Y133 PolarHBondContact O-N 3.35Å
130P91.2Very high89.3Confident16 Ų1651 Ų5110%0.10427%0.271CS..Hα-helixtrans-62.8-41.7-178.526.8-37.1000112.9L126 V127 T134 Y149L126-P130 WeakPolarHBondContact O-CD 3.22Å; L126-P130 WeakPolarHBondContact O-CG 3.46Å; V127-P130 VanDerWaalsContact O-CD 3.29Å; V127-P130 WeakPolarHBondContact O-CD 3.48Å; V127-P130 VanDerWaalsContact O-CG 3.29Å; V127-P130 WeakPolarHBondContact O-CG 3.47Å; P130-T134 WeakPolarHBondContact O-CB 3.48Å; P130-T134 VanDerWaalsContact O-CG2 3.25Å; P130-T134 WeakPolarHBondContact O-CG2 3.49Å; P130-T134 PolarHBondContact O-N 2.61Å; P130-T134 PolarHBondContact O-OG1 3.01Å; P130-Y149 WeakPolarHBondContact CA-OH 3.47Å; P130-Y149 HydrophobicContact CB-CE1 3.77Å; P130-Y149 HydrophobicContact CB-CE2 4.5Å; P130-Y149 WeakPolarHBondContact CB-OH 3.32Å
131V92.3Very high87.7Confident64 Ų6450.9 Ų50.939%0.38828%0.278SS..Hα-helixtrans-65.2-45-177.4173.50000111.1V127 I128 Y129 T134 Q135V127-V131 HydrophobicContact CG1-CG2 4.32Å; V127-V131 WeakPolarHBondContact O-CB 3.29Å; V127-V131 VanDerWaalsContact O-CG2 3.23Å; V127-V131 WeakPolarHBondContact O-CG2 3.48Å; V127-V131 PolarHBondContact O-N 3.48Å; I128-V131 PolarHBondContact O-N 2.82Å; Y129-V131 PolarHBondContact O-N 3.42Å; V131-T134 PolarHBondContact O-OG1 2.86Å; V131-Q135 VanDerWaalsContact O-CG 3.23Å; V131-Q135 WeakPolarHBondContact O-CG 3.42Å; V131-Q135 PolarHBondContact O-N 3.26Å
132K91.5Very high86Confident84 Ų8453.4 Ų53.437%0.36529%0.294SS..Hα-helixtrans-80.5-31.9-179.1-67.3-59.5-170.5-175.10112.9W73 I128 Y129 Q135 T136W73-K132 HydrophobicContact CB-CB 3.91Å; W73-K132 HydrophobicContact CB-CG 3.8Å; W73-K132 HydrophobicContact CD2-CB 3.46Å; W73-K132 VanDerWaalsContact CD2-CB 3.46Å; W73-K132 HydrophobicContact CD2-CG 4.36Å; W73-K132 HydrophobicContact CE3-CB 3.66Å; W73-K132 HydrophobicContact CG-CB 3.56Å; W73-K132 HydrophobicContact CG-CG 4Å; W73-K132 HydrophobicContact CZ3-CB 4.42Å; I128-K132 HydrophobicContact CG2-CG 3.96Å; I128-K132 VanDerWaalsContact O-CB 3.32Å; I128-K132 WeakPolarHBondContact O-CB 3.27Å; I128-K132 WeakPolarHBondContact O-CG 3.49Å; I128-K132 PolarHBondContact O-N 3.49Å; Y129-K132 PolarHBondContact O-N 2.96Å; K132-Q135 VanDerWaalsContact NZ-OE1 3.14Å; K132-Q135 PolarHBondContact O-N 3.47Å; K132-T136 VanDerWaalsContact O-CB 3.32Å; K132-T136 WeakPolarHBondContact O-CB 2.88Å; K132-T136 PolarHBondContact O-N 2.89Å; K132-T136 PolarHBondContact O-OG1 3.37Å
133Y88.1Confident84.5Confident0 Ų059.2 Ų59.20%033%0.331CS..Hα-helixtrans-62.4-48174.5-167.7-81.6000111.2L36 S45 K50 L68 W73 Y129 Q135 T136 F137 L139L36-Y133 HydrophobicContact CD1-CD1 4.1Å; L36-Y133 HydrophobicContact CD1-CE1 4.2Å; L36-Y133 HydrophobicContact CD2-CD1 4.3Å; L36-Y133 HydrophobicContact CD2-CE1 3.57Å; S45-Y133 PolarHBondContact OG-OH 2.93Å; K50-Y133 WeakPolarHBondContact CD-OH 3.29Å; K50-Y133 WeakPolarHBondContact CE-OH 3.29Å; L68-Y133 HydrophobicContact CD1-CE2 4.49Å; L68-Y133 HydrophobicContact CD2-CD2 4.09Å; L68-Y133 HydrophobicContact CD2-CE2 4.15Å; W73-Y133 AromaticContact CH2-CD2 3.88Å; W73-Y133 HydrophobicContact CH2-CD2 3.88Å; W73-Y133 HydrophobicContact CH2-CG 4.49Å; Y129-Y133 WeakPolarHBondContact O-CB 3.42Å; Y129-Y133 PolarHBondContact O-N 3.35Å; Y133-Q135 PolarHBondContact O-N 2.99Å; Y133-T136 PolarHBondContact O-N 3.33Å; Y133-F137 HydrophobicContact CD1-CD2 4.02Å; Y133-F137 AromaticContact CD2-CD2 3.95Å; Y133-F137 HydrophobicContact CD2-CD2 3.95Å; Y133-F137 AromaticContact CD2-CE2 3.83Å; Y133-F137 HydrophobicContact CD2-CE2 3.83Å; Y133-F137 AromaticContact CE1-CD2 3.8Å; Y133-F137 HydrophobicContact CE1-CD2 3.8Å; Y133-F137 HydrophobicContact CE1-CE2 4.43Å; Y133-F137 AromaticContact CE2-CD2 3.7Å; Y133-F137 HydrophobicContact CE2-CD2 3.7Å; Y133-F137 AromaticContact CE2-CE2 3.49Å; Y133-F137 HydrophobicContact CE2-CE2 3.49Å; Y133-F137 VanDerWaalsContact CE2-CE2 3.49Å; Y133-F137 HydrophobicContact CG-CD2 4.07Å; Y133-F137 HydrophobicContact CG-CE2 4.38Å; Y133-F137 AromaticContact CZ-CD2 3.59Å; Y133-F137 AromaticContact CZ-CE2 3.81Å; Y133-F137 WeakPolarHBondContact O-CD2 3.32Å; Y133-F137 PolarHBondContact O-N 3.29Å; Y133-F137 VanDerWaalsContact O-N 3.16Å; Y133-L139 HydrophobicContact CD1-CD1 3.88Å; Y133-L139 HydrophobicContact CD1-CD2 4.34Å; Y133-L139 HydrophobicContact CE1-CD1 3.83Å; Y133-L139 HydrophobicContact CE1-CD2 4.34Å
134T87.9Confident83Confident53 Ų5360.6 Ų60.633%0.32535%0.352SS..Hα-helixtrans-61.6-39.2177.351.60000113.2P130 V131 A138 L139P130-T134 WeakPolarHBondContact O-CB 3.48Å; P130-T134 VanDerWaalsContact O-CG2 3.25Å; P130-T134 WeakPolarHBondContact O-CG2 3.49Å; P130-T134 PolarHBondContact O-N 2.61Å; P130-T134 PolarHBondContact O-OG1 3.01Å; V131-T134 PolarHBondContact O-OG1 2.86Å; T134-A138 WeakPolarHBondContact O-CA 3.18Å; T134-A138 PolarHBondContact O-N 3.17Å; T134-L139 HydrophobicContact CG2-CB 4.49Å; T134-L139 HydrophobicContact CG2-CD2 4.19Å; T134-L139 PolarHBondContact O-N 3.19Å
135Q88.4Confident81.7Confident119 Ų11959.5 Ų59.556%0.55635%0.348SS*.Hα-helixtrans-68.6-47.1175.9-73.1175.5-3.200112.8V131 K132 Y133 A138V131-Q135 VanDerWaalsContact O-CG 3.23Å; V131-Q135 WeakPolarHBondContact O-CG 3.42Å; V131-Q135 PolarHBondContact O-N 3.26Å; K132-Q135 VanDerWaalsContact NZ-OE1 3.14Å; K132-Q135 PolarHBondContact O-N 3.47Å; Y133-Q135 PolarHBondContact O-N 2.99Å; Q135-A138 PolarHBondContact O-N 3.46Å
136T86.3Confident81Confident55 Ų5563.6 Ų63.634%0.33737%0.373SS..Hα-helixtrans-68.2-40.2-172.9-54.30000111.9Y71 W73 K132 Y133Y71-T136 HydrophobicContact CD1-CG2 3.94Å; Y71-T136 HydrophobicContact CE1-CG2 3.59Å; W73-T136 HydrophobicContact CZ2-CG2 4.49Å; W73-T136 PolarHBondContact NE1-OG1 3.41Å; K132-T136 VanDerWaalsContact O-CB 3.32Å; K132-T136 WeakPolarHBondContact O-CB 2.88Å; K132-T136 PolarHBondContact O-N 2.89Å; K132-T136 PolarHBondContact O-OG1 3.37Å; Y133-T136 PolarHBondContact O-N 3.33Å
137F81.8Confident80.3Confident43 Ų4366.2 Ų66.219%0.18938%0.383CS..THydrogen-bonded Turntrans-100.311.7-178-60.4-64.3000113.2K50 Y71 W73 Y133 L139K50-F137 HydrophobicContact CD-CD1 4.4Å; K50-F137 HydrophobicContact CD-CD2 4.49Å; K50-F137 HydrophobicContact CD-CE1 3.88Å; K50-F137 HydrophobicContact CD-CE2 4Å; K50-F137 HydrophobicContact CD-CZ 3.66Å; K50-F137 VanDerWaalsContact NZ-CE1 3.29Å; K50-F137 VanDerWaalsContact NZ-CG 3.34Å; Y71-F137 HydrophobicContact CE2-CZ 4.15Å; W73-F137 HydrophobicContact CZ2-CE2 4.41Å; Y133-F137 HydrophobicContact CD1-CD2 4.02Å; Y133-F137 AromaticContact CD2-CD2 3.95Å; Y133-F137 HydrophobicContact CD2-CD2 3.95Å; Y133-F137 AromaticContact CD2-CE2 3.83Å; Y133-F137 HydrophobicContact CD2-CE2 3.83Å; Y133-F137 AromaticContact CE1-CD2 3.8Å; Y133-F137 HydrophobicContact CE1-CD2 3.8Å; Y133-F137 HydrophobicContact CE1-CE2 4.43Å; Y133-F137 AromaticContact CE2-CD2 3.7Å; Y133-F137 HydrophobicContact CE2-CD2 3.7Å; Y133-F137 AromaticContact CE2-CE2 3.49Å; Y133-F137 HydrophobicContact CE2-CE2 3.49Å; Y133-F137 VanDerWaalsContact CE2-CE2 3.49Å; Y133-F137 HydrophobicContact CG-CD2 4.07Å; Y133-F137 HydrophobicContact CG-CE2 4.38Å; Y133-F137 AromaticContact CZ-CD2 3.59Å; Y133-F137 AromaticContact CZ-CE2 3.81Å; Y133-F137 WeakPolarHBondContact O-CD2 3.32Å; Y133-F137 PolarHBondContact O-N 3.29Å; Y133-F137 VanDerWaalsContact O-N 3.16Å; F137-L139 VanDerWaalsContact C-N 3.25Å; F137-L139 HydrophobicContact CB-CD1 3.55Å; F137-L139 PolarHBondContact O-N 3.5Å; F137-L139 VanDerWaalsContact O-N 3.13Å
138A76.6Confident79.9Confident52 Ų5267.8 Ų67.843%0.4339%0.388SS..THydrogen-bonded Turntrans41.651.5177.700000112.7T134 Q135 H140 A141T134-A138 WeakPolarHBondContact O-CA 3.18Å; T134-A138 PolarHBondContact O-N 3.17Å; Q135-A138 PolarHBondContact O-N 3.46Å; A138-H140 PolarHBondContact O-N 3.11Å; A138-A141 HydrophobicContact CB-CB 4.21Å; A138-A141 WeakPolarHBondContact O-CB 3.3Å; A138-A141 PolarHBondContact O-N 2.83Å
139L72.2Confident79.6Confident28 Ų2869.3 Ų69.315%0.14739%0.391CS..G310 helixtrans-55.7-24.5-174-92.473.8000112.6Y133 T134 F137 A141 Y147Y133-L139 HydrophobicContact CD1-CD1 3.88Å; Y133-L139 HydrophobicContact CD1-CD2 4.34Å; Y133-L139 HydrophobicContact CE1-CD1 3.83Å; Y133-L139 HydrophobicContact CE1-CD2 4.34Å; T134-L139 HydrophobicContact CG2-CB 4.49Å; T134-L139 HydrophobicContact CG2-CD2 4.19Å; T134-L139 PolarHBondContact O-N 3.19Å; F137-L139 VanDerWaalsContact C-N 3.25Å; F137-L139 HydrophobicContact CB-CD1 3.55Å; F137-L139 PolarHBondContact O-N 3.5Å; F137-L139 VanDerWaalsContact O-N 3.13Å; L139-A141 VanDerWaalsContact C-N 3.31Å; L139-A141 PolarHBondContact O-N 2.84Å; L139-Y147 HydrophobicContact CB-CD2 4.35Å; L139-Y147 HydrophobicContact CD2-CD1 4.2Å; L139-Y147 HydrophobicContact CD2-CD2 3.27Å; L139-Y147 HydrophobicContact CD2-CE2 3.9Å; L139-Y147 HydrophobicContact CD2-CG 3.41Å; L139-Y147 VanDerWaalsContact CD2-CG 3.41Å; L139-Y147 HydrophobicContact CG-CD2 3.53Å; L139-Y147 HydrophobicContact CG-CE2 3.65Å; L139-Y147 HydrophobicContact CG-CG 4.13Å
140H65.3Low79.4Confident190 Ų19071.7 Ų71.788%0.8840%0.404SS*.G310 helixtrans-74.3-15.2177.8-145.575.8000114.4A138A138-H140 PolarHBondContact O-N 3.11Å
141A62.9Low79.2Confident71 Ų7176.9 Ų76.959%0.58742%0.421SS*.G310 helixtrans-85.2-18.6-176.600000113.7A138 L139 P143A138-A141 HydrophobicContact CB-CB 4.21Å; A138-A141 WeakPolarHBondContact O-CB 3.3Å; A138-A141 PolarHBondContact O-N 2.83Å; L139-A141 VanDerWaalsContact C-N 3.31Å; L139-A141 PolarHBondContact O-N 2.84Å; A141-P143 VanDerWaalsContact O-CD 3.32Å; A141-P143 WeakPolarHBondContact O-CD 3.41Å
142N62.3Low79.2Confident107 Ų10773.8 Ų73.857%0.57240%0.403SS*.  trans-114.984.7178-82.5-54.1000110.5A144 V145N142-A144 PolarHBondContact O-N 2.95Å; N142-A144 VanDerWaalsContact O-N 3.13Å; N142-V145 PolarHBondContact O-N 2.83Å
143P64.4Low79.2Confident122 Ų12271.2 Ų71.279%0.79239%0.391SS*.THydrogen-bonded Turntrans-68.5-9.7-177.828.6-35.7000113.9A141A141-P143 VanDerWaalsContact O-CD 3.32Å; A141-P143 WeakPolarHBondContact O-CD 3.41Å
144A65.7Low79.4Confident87 Ų8773.1 Ų73.172%0.71941%0.41SS*.THydrogen-bonded Turntrans-74.2-24.4179.500000113.5N142N142-A144 PolarHBondContact O-N 2.95Å; N142-A144 VanDerWaalsContact O-N 3.13Å
145V69.1Low79.8Confident38 Ų3873.7 Ų73.723%0.2341%0.409CS..SBendtrans-123.9115.5-175.8-178.60000109.4S38 N142 Y147S38-V145 WeakPolarHBondContact OG-CG1 3.48Å; N142-V145 PolarHBondContact O-N 2.83Å; V145-Y147 HydrophobicContact CG1-CE2 4.2Å
146T78.4Confident80.1Confident85 Ų8568 Ų6852%0.52138%0.382SS..  trans-91.5140.2176.361.40000110S38 S39S38-T146 CarbonylContact C-O 3.15Å; S39-T146 VanDerWaalsContact CB-OG1 3.3Å; S39-T146 WeakPolarHBondContact CB-OG1 3.35Å; S39-T146 PolarHBondContact N-O 3.42Å; S39-T146 PolarHBondContact OG-N 2.93Å; S39-T146 PolarHBondContact OG-O 3.14Å; S39-T146 PolarHBondContact OG-OG1 2.86Å
147Y80.5Confident80.5Confident56 Ų5669.4 Ų69.422%0.2238%0.381CS..EExtended strand (participates in β ladder)trans-108.5129.4178-65.2-95.2000109.7L36 Q37 Q43 L139 V145L36-Y147 HydrophobicContact CD2-CD1 3.44Å; L36-Y147 VanDerWaalsContact CD2-CD1 3.44Å; L36-Y147 HydrophobicContact CD2-CE1 4.26Å; L36-Y147 HydrophobicContact CD2-CG 4.07Å; L36-Y147 HydrophobicContact CG-CD1 4.45Å; Q37-Y147 WeakPolarHBondContact O-CA 3.05Å; Q43-Y147 PolarHBondContact OE1-OH 3.27Å; L139-Y147 HydrophobicContact CB-CD2 4.35Å; L139-Y147 HydrophobicContact CD2-CD1 4.2Å; L139-Y147 HydrophobicContact CD2-CD2 3.27Å; L139-Y147 HydrophobicContact CD2-CE2 3.9Å; L139-Y147 HydrophobicContact CD2-CG 3.41Å; L139-Y147 VanDerWaalsContact CD2-CG 3.41Å; L139-Y147 HydrophobicContact CG-CD2 3.53Å; L139-Y147 HydrophobicContact CG-CE2 3.65Å; L139-Y147 HydrophobicContact CG-CG 4.13Å; V145-Y147 HydrophobicContact CG1-CE2 4.2Å
148I86.1Confident81.2Confident101 Ų10169 Ų6952%0.51839%0.386SS..EExtended strand (participates in β ladder)trans-115.6130-173.7-54172.3000107.9L36 Q37 N150L36-I148 WeakPolarHBondContact CA-O 3.42Å; Q37-I148 PolarHBondContact N-O 3.39Å; Q37-I148 PolarHBondContact O-N 3.48Å; I148-N150 PolarHBondContact O-N 3.28Å
149Y87.8Confident82.2Confident84 Ų8466.5 Ų66.533%0.32937%0.365SS..EExtended strand (participates in β ladder)trans-70.6128.2170.1-64.6-77.2000109.3W35 L36 P130 Y153W35-Y149 WeakPolarHBondContact O-CA 3.29Å; L36-Y149 HydrophobicContact CB-CD1 4.46Å; L36-Y149 HydrophobicContact CD1-CD1 4.07Å; L36-Y149 HydrophobicContact CD1-CE1 3.6Å; P130-Y149 WeakPolarHBondContact CA-OH 3.47Å; P130-Y149 HydrophobicContact CB-CE1 3.77Å; P130-Y149 HydrophobicContact CB-CE2 4.5Å; P130-Y149 WeakPolarHBondContact CB-OH 3.32Å; Y149-Y153 AromaticContact CD1-CD1 3.77Å; Y149-Y153 HydrophobicContact CD1-CD1 3.77Å; Y149-Y153 HydrophobicContact CD1-CD2 4.41Å; Y149-Y153 AromaticContact CD1-CE1 3.9Å; Y149-Y153 HydrophobicContact CD1-CE1 3.9Å; Y149-Y153 AromaticContact CD1-CG 3.99Å; Y149-Y153 HydrophobicContact CD1-CG 3.99Å; Y149-Y153 HydrophobicContact CD2-CE1 4.45Å; Y149-Y153 AromaticContact CG-CD1 3.77Å; Y149-Y153 HydrophobicContact CG-CD1 3.77Å; Y149-Y153 AromaticContact CG-CE1 3.88Å; Y149-Y153 HydrophobicContact CG-CE1 3.88Å; Y149-Y153 HydrophobicContact CG-CG 4.41Å
150N88Confident83.3Confident51 Ų5165.2 Ų65.227%0.27336%0.359SS..  trans-107.7-172.3-171.9-161.54.9000110.9G34 W35 Q37 I148 A152 Y153 G154G34-N150 CarbonylContact O-C 3.42Å; G34-N150 VanDerWaalsContact O-CB 3.3Å; G34-N150 WeakPolarHBondContact O-CB 3.36Å; W35-N150 PolarHBondContact O-N 3.49Å; W35-N150 VanDerWaalsContact O-N 3.09Å; Q37-N150 HydrophobicContact CB-CB 4.35Å; Q37-N150 PolarHBondContact OE1-ND2 3.48Å; I148-N150 PolarHBondContact O-N 3.28Å; N150-A152 VanDerWaalsContact C-N 3.35Å; N150-A152 PolarHBondContact O-N 3.18Å; N150-Y153 PolarHBondContact O-N 3.48Å; N150-G154 PolarHBondContact O-N 3.48Å
151W88.7Confident84.8Confident124 Ų12461.5 Ų61.547%0.4734%0.344SS..Hα-helixtrans-50.9-42.3-168.959.4-87.2000115.1I28 G34 Y153 G154 F155I28-W151 HydrophobicContact CG2-CE3 3.89Å; I28-W151 HydrophobicContact CG2-CZ3 3.45Å; I28-W151 VanDerWaalsContact CG2-CZ3 3.45Å; G34-W151 PolarHBondContact O-N 3.44Å; W151-Y153 VanDerWaalsContact C-N 3.33Å; W151-Y153 PolarHBondContact O-N 3.37Å; W151-G154 PolarHBondContact O-N 3.26Å; W151-G154 VanDerWaalsContact O-N 3.14Å; W151-F155 HydrophobicContact CB-CE2 4.43Å; W151-F155 AromaticContact CE3-CD2 3.87Å; W151-F155 HydrophobicContact CE3-CD2 3.87Å; W151-F155 AromaticContact CE3-CE2 3.95Å; W151-F155 HydrophobicContact CE3-CE2 3.95Å; W151-F155 WeakPolarHBondContact O-CD2 3.43Å; W151-F155 PolarHBondContact O-N 2.94Å
152A90.4Very high86.4Confident0 Ų059.8 Ų59.80%032%0.324CS..Hα-helixtrans-67.2-36-174.200000112.1G34 W35 N150 F155 G156G34-A152 WeakPolarHBondContact O-CB 3.06Å; G34-A152 PolarHBondContact O-N 2.98Å; W35-A152 HydrophobicContact CG-CB 4.47Å; N150-A152 VanDerWaalsContact C-N 3.35Å; N150-A152 PolarHBondContact O-N 3.18Å; A152-F155 PolarHBondContact O-N 3.23Å; A152-G156 PolarHBondContact O-N 3.11Å
153Y91.5Very high87.9Confident30 Ų3054.7 Ų54.712%0.11830%0.297CS..Hα-helixtrans-66.9-39.6173.5-179.6-109.4000111.6W35 L126 Y149 N150 W151 F155 G156 W157W35-Y153 HydrophobicContact CD2-CD2 4.5Å; W35-Y153 AromaticContact CE3-CD2 3.61Å; W35-Y153 HydrophobicContact CE3-CD2 3.61Å; W35-Y153 HydrophobicContact CE3-CE2 4.44Å; W35-Y153 HydrophobicContact CE3-CG 4.46Å; W35-Y153 AromaticContact CZ3-CD2 3.71Å; W35-Y153 HydrophobicContact CZ3-CD2 3.71Å; W35-Y153 HydrophobicContact CZ3-CE2 4.27Å; W35-Y153 WeakPolarHBondContact O-CB 3.43Å; L126-Y153 HydrophobicContact CB-CE2 4.41Å; L126-Y153 HydrophobicContact CD2-CE2 4.46Å; L126-Y153 HydrophobicContact CG-CE2 4.44Å; L126-Y153 PolarHBondContact O-OH 2.86Å; Y149-Y153 AromaticContact CD1-CD1 3.77Å; Y149-Y153 HydrophobicContact CD1-CD1 3.77Å; Y149-Y153 HydrophobicContact CD1-CD2 4.41Å; Y149-Y153 AromaticContact CD1-CE1 3.9Å; Y149-Y153 HydrophobicContact CD1-CE1 3.9Å; Y149-Y153 AromaticContact CD1-CG 3.99Å; Y149-Y153 HydrophobicContact CD1-CG 3.99Å; Y149-Y153 HydrophobicContact CD2-CE1 4.45Å; Y149-Y153 AromaticContact CG-CD1 3.77Å; Y149-Y153 HydrophobicContact CG-CD1 3.77Å; Y149-Y153 AromaticContact CG-CE1 3.88Å; Y149-Y153 HydrophobicContact CG-CE1 3.88Å; Y149-Y153 HydrophobicContact CG-CG 4.41Å; N150-Y153 PolarHBondContact O-N 3.48Å; W151-Y153 VanDerWaalsContact C-N 3.33Å; W151-Y153 PolarHBondContact O-N 3.37Å; Y153-F155 VanDerWaalsContact C-N 3.34Å; Y153-F155 PolarHBondContact O-N 3.31Å; Y153-G156 PolarHBondContact O-N 3.26Å; Y153-W157 AromaticContact CD1-CD1 3.91Å; Y153-W157 AromaticContact CE1-CD1 3.57Å; Y153-W157 AromaticContact CE1-NE1 3.23Å; Y153-W157 AromaticContact CE2-NE1 3.6Å; Y153-W157 AromaticContact CZ-CD1 3.72Å; Y153-W157 AromaticContact CZ-NE1 3Å; Y153-W157 PolarHBondContact O-N 2.93Å; Y153-W157 PolarHBondContact OH-NE1 3.45Å
154G93.8Very high89.4Confident39 Ų3952.8 Ų52.840%0.40228%0.279SS..Hα-helixtrans-60.5-41173.300000112.9N150 W151 G156 W157 A158N150-G154 PolarHBondContact O-N 3.48Å; W151-G154 PolarHBondContact O-N 3.26Å; W151-G154 VanDerWaalsContact O-N 3.14Å; G154-G156 PolarHBondContact O-N 3.46Å; G154-W157 PolarHBondContact O-N 3.26Å; G154-A158 WeakPolarHBondContact O-CB 3.03Å; G154-A158 PolarHBondContact O-N 2.74Å
155F95.1Very high90.8Very high66 Ų6650 Ų5029%0.28926%0.259SS..Hα-helixtrans-63.8-37.6175.7-81.4-67.5000113F25 I28 W151 A152 Y153 W157 A158 A159F25-F155 HydrophobicContact CB-CB 4.43Å; F25-F155 HydrophobicContact CB-CD1 4.16Å; F25-F155 AromaticContact CD1-CD1 3.4Å; F25-F155 HydrophobicContact CD1-CD1 3.4Å; F25-F155 AromaticContact CD1-CE1 3.62Å; F25-F155 HydrophobicContact CD1-CE1 3.62Å; F25-F155 HydrophobicContact CD2-CD1 4.49Å; F25-F155 AromaticContact CE1-CD1 3.85Å; F25-F155 HydrophobicContact CE1-CD1 3.85Å; F25-F155 AromaticContact CE1-CE1 3.59Å; F25-F155 HydrophobicContact CE1-CE1 3.59Å; F25-F155 AromaticContact CG-CD1 3.78Å; F25-F155 HydrophobicContact CG-CD1 3.78Å; F25-F155 HydrophobicContact CG-CE1 4.38Å; F25-F155 HydrophobicContact CZ-CE1 4.33Å; I28-F155 HydrophobicContact CG2-CB 3.99Å; I28-F155 HydrophobicContact CG2-CD2 3.55Å; I28-F155 HydrophobicContact CG2-CE2 4.19Å; I28-F155 HydrophobicContact CG2-CG 3.81Å; W151-F155 HydrophobicContact CB-CE2 4.43Å; W151-F155 AromaticContact CE3-CD2 3.87Å; W151-F155 HydrophobicContact CE3-CD2 3.87Å; W151-F155 AromaticContact CE3-CE2 3.95Å; W151-F155 HydrophobicContact CE3-CE2 3.95Å; W151-F155 WeakPolarHBondContact O-CD2 3.43Å; W151-F155 PolarHBondContact O-N 2.94Å; A152-F155 PolarHBondContact O-N 3.23Å; Y153-F155 VanDerWaalsContact C-N 3.34Å; Y153-F155 PolarHBondContact O-N 3.31Å; F155-W157 PolarHBondContact O-N 2.03Å; F155-A158 PolarHBondContact O-N 2.81Å; F155-A159 WeakPolarHBondContact O-CB 3.16Å; F155-A159 PolarHBondContact O-N 3.18Å
156G94.4Very high91.9Very high0 Ų048.3 Ų48.30%025%0.249CC..Hα-helixtrans-61.3-42.1173.500000112.6L126 A152 Y153 G154 A159 T160L126-G156 VanDerWaalsContact CD2-C 3.42Å; A152-G156 PolarHBondContact O-N 3.11Å; Y153-G156 PolarHBondContact O-N 3.26Å; G154-G156 PolarHBondContact O-N 3.46Å; G156-A159 PolarHBondContact O-N 3.08Å; G156-T160 WeakPolarHBondContact O-CB 3.32Å; G156-T160 PolarHBondContact O-N 2.77Å; G156-T160 PolarHBondContact O-OG1 3.45Å
157W95.8Very high92.7Very high83 Ų8344.6 Ų44.631%0.31423%0.227SC..Hα-helixtrans-66.8-41.7175.7-82.6109.6000111.7L126 V127 Y153 G154 F155 T160 I161L126-W157 HydrophobicContact CB-CH2 4.29Å; L126-W157 HydrophobicContact CB-CZ2 3.82Å; L126-W157 HydrophobicContact CD2-CB 4.1Å; L126-W157 HydrophobicContact CD2-CD2 3.52Å; L126-W157 HydrophobicContact CD2-CE3 4.18Å; L126-W157 HydrophobicContact CD2-CG 3.46Å; L126-W157 VanDerWaalsContact CD2-CG 3.46Å; L126-W157 HydrophobicContact CD2-CZ2 4.32Å; L126-W157 VanDerWaalsContact CD2-N 3.28Å; V127-W157 HydrophobicContact CG2-CH2 4.16Å; V127-W157 HydrophobicContact CG2-CZ2 4.42Å; Y153-W157 AromaticContact CD1-CD1 3.91Å; Y153-W157 AromaticContact CE1-CD1 3.57Å; Y153-W157 AromaticContact CE1-NE1 3.23Å; Y153-W157 AromaticContact CE2-NE1 3.6Å; Y153-W157 AromaticContact CZ-CD1 3.72Å; Y153-W157 AromaticContact CZ-NE1 3Å; Y153-W157 PolarHBondContact O-N 2.93Å; Y153-W157 PolarHBondContact OH-NE1 3.45Å; G154-W157 PolarHBondContact O-N 3.26Å; F155-W157 PolarHBondContact O-N 2.03Å; W157-T160 PolarHBondContact O-N 2.95Å; W157-I161 VanDerWaalsContact O-CG1 3.3Å; W157-I161 WeakPolarHBondContact O-CG1 3.4Å; W157-I161 PolarHBondContact O-N 3.33Å
158A96.4Very high93.2Very high35 Ų3548.3 Ų48.329%0.28924%0.244SC..Hα-helixtrans-60.6-45.317700000111.6F25 G154 F155 I161 I162F25-A158 HydrophobicContact CD2-CB 4.35Å; G154-A158 WeakPolarHBondContact O-CB 3.03Å; G154-A158 PolarHBondContact O-N 2.74Å; F155-A158 PolarHBondContact O-N 2.81Å; A158-I161 PolarHBondContact O-N 2.97Å; A158-I162 WeakPolarHBondContact O-CG1 3.23Å; A158-I162 PolarHBondContact O-N 3.41Å; A158-I162 VanDerWaalsContact O-N 3.11Å
159A96.5Very high93.3Very high0 Ų049.1 Ų49.10%025%0.245CC..Hα-helixtrans-56.9-52.8173.500000110.5F25 D26 F155 G156 I161 I162 L163F25-A159 HydrophobicContact CB-CB 3.92Å; D26-A159 VanDerWaalsContact OD1-CB 3.22Å; D26-A159 WeakPolarHBondContact OD1-CB 3.38Å; F155-A159 WeakPolarHBondContact O-CB 3.16Å; F155-A159 PolarHBondContact O-N 3.18Å; G156-A159 PolarHBondContact O-N 3.08Å; A159-I161 VanDerWaalsContact C-N 3.31Å; A159-I161 PolarHBondContact O-N 3.16Å; A159-I162 WeakPolarHBondContact O-CA 3.11Å; A159-I162 WeakPolarHBondContact O-CB 3.23Å; A159-I162 PolarHBondContact O-N 2.9Å; A159-L163 VanDerWaalsContact C-CD1 3.48Å; A159-L163 HydrophobicContact CB-CD1 4.43Å; A159-L163 WeakPolarHBondContact O-CD1 3.48Å; A159-L163 PolarHBondContact O-N 3.03Å
160T95.9Very high93.3Very high1 Ų145.1 Ų45.11%0.00623%0.229CC..Hα-helixtrans-54.6-44.1-179.9-56.20000112.5Q122 I123 G156 W157 I162 L163 I164Q122-T160 HydrophobicContact CB-CG2 4.38Å; Q122-T160 PolarHBondContact OE1-OG1 2.81Å; I123-T160 HydrophobicContact CD1-CG2 4.27Å; I123-T160 HydrophobicContact CG1-CG2 3.51Å; G156-T160 WeakPolarHBondContact O-CB 3.32Å; G156-T160 PolarHBondContact O-N 2.77Å; G156-T160 PolarHBondContact O-OG1 3.45Å; W157-T160 PolarHBondContact O-N 2.95Å; T160-I162 PolarHBondContact O-N 3.43Å; T160-L163 WeakPolarHBondContact O-CB 3.32Å; T160-L163 PolarHBondContact O-N 2.87Å; T160-I164 HydrophobicContact CG2-CD1 4.18Å; T160-I164 WeakPolarHBondContact O-CG1 3.02Å; T160-I164 PolarHBondContact O-N 2.97Å
161I96.4Very high93.2Very high112 Ų11244.5 Ų44.557%0.57423%0.228SC*.Hα-helixtrans-63.4-42.3178.1-69164.7000111W157 A158 A159 L163 I164 G165W157-I161 VanDerWaalsContact O-CG1 3.3Å; W157-I161 WeakPolarHBondContact O-CG1 3.4Å; W157-I161 PolarHBondContact O-N 3.33Å; A158-I161 PolarHBondContact O-N 2.97Å; A159-I161 VanDerWaalsContact C-N 3.31Å; A159-I161 PolarHBondContact O-N 3.16Å; I161-L163 VanDerWaalsContact C-N 3.34Å; I161-I164 PolarHBondContact O-N 2.9Å; I161-G165 PolarHBondContact O-N 2.7Å
162I96.3Very high93Very high34 Ų3440.2 Ų40.217%0.17422%0.217CC..Hα-helixtrans-62.4-43175.7-66.1166.2000110.4L18 A22 F25 A158 A159 T160 I164 G165 C166L18-I162 HydrophobicContact CB-CG2 4.1Å; L18-I162 WeakPolarHBondContact O-CG2 3.45Å; A22-I162 HydrophobicContact CB-CB 4.32Å; A22-I162 HydrophobicContact CB-CG2 3.98Å; F25-I162 HydrophobicContact CD2-CD1 3.92Å; F25-I162 HydrophobicContact CE2-CD1 3.8Å; A158-I162 WeakPolarHBondContact O-CG1 3.23Å; A158-I162 PolarHBondContact O-N 3.41Å; A158-I162 VanDerWaalsContact O-N 3.11Å; A159-I162 WeakPolarHBondContact O-CA 3.11Å; A159-I162 WeakPolarHBondContact O-CB 3.23Å; A159-I162 PolarHBondContact O-N 2.9Å; T160-I162 PolarHBondContact O-N 3.43Å; I162-I164 PolarHBondContact O-N 2.98Å; I162-G165 PolarHBondContact O-N 3.44Å; I162-C166 WeakPolarHBondContact O-CB 3.39Å; I162-C166 PolarHBondContact O-N 3.09Å; I162-C166 PolarHBondContact O-SG 2.76Å
163L95.6Very high92.4Very high0 Ų042.8 Ų42.80%023%0.23CC..Hα-helixtrans-58.2-47175.1-83.492.8000111.9A22 L88 L115 A118 A119 A159 T160 I161 G165 C166 A167A22-L163 HydrophobicContact CB-CD1 4.23Å; L88-L163 HydrophobicContact CB-CD2 4.3Å; L88-L163 HydrophobicContact CD1-CD1 3.38Å; L88-L163 HydrophobicContact CD1-CD2 3.78Å; L88-L163 HydrophobicContact CD1-CG 3.61Å; L115-L163 HydrophobicContact CD2-CD2 4.36Å; A118-L163 HydrophobicContact CB-CD2 3.64Å; A119-L163 HydrophobicContact CB-CB 4.06Å; A159-L163 VanDerWaalsContact C-CD1 3.48Å; A159-L163 HydrophobicContact CB-CD1 4.43Å; A159-L163 WeakPolarHBondContact O-CD1 3.48Å; A159-L163 PolarHBondContact O-N 3.03Å; T160-L163 WeakPolarHBondContact O-CB 3.32Å; T160-L163 PolarHBondContact O-N 2.87Å; I161-L163 VanDerWaalsContact C-N 3.34Å; L163-G165 PolarHBondContact O-N 3.49Å; L163-C166 PolarHBondContact O-N 3.41Å; L163-A167 VanDerWaalsContact O-CB 3.25Å; L163-A167 WeakPolarHBondContact O-CB 2.95Å; L163-A167 PolarHBondContact O-N 2.86Å
164I95.9Very high91.7Very high82 Ų8242.4 Ų42.442%0.42123%0.231SC..Hα-helixtrans-61.1-46.4-179.8-66165.5000110.5A119 I123 T160 I161 I162 A167 F168A119-I164 HydrophobicContact CB-CG1 3.83Å; I123-I164 HydrophobicContact CD1-CD1 4.16Å; T160-I164 HydrophobicContact CG2-CD1 4.18Å; T160-I164 WeakPolarHBondContact O-CG1 3.02Å; T160-I164 PolarHBondContact O-N 2.97Å; I161-I164 PolarHBondContact O-N 2.9Å; I162-I164 PolarHBondContact O-N 2.98Å; I164-A167 PolarHBondContact O-N 3.1Å; I164-F168 PolarHBondContact O-N 3.14Å
165G94.1Very high90.8Very high28 Ų2845.5 Ų45.529%0.28924%0.238SC..Hα-helixtrans-59.2-49.5176.500000111.7I161 I162 L163 A167 F168 F169I161-G165 PolarHBondContact O-N 2.7Å; I162-G165 PolarHBondContact O-N 3.44Å; L163-G165 PolarHBondContact O-N 3.49Å; G165-A167 PolarHBondContact O-N 3.35Å; G165-F168 PolarHBondContact O-N 3.23Å; G165-F169 WeakPolarHBondContact O-CD2 3.25Å; G165-F169 PolarHBondContact O-N 2.8Å
166C92.8Very high89.7Confident4 Ų448.9 Ų48.93%0.02725%0.25CS..Hα-helixtrans-63-40.9178.7-66.60000112L19 L115 I162 L163 F168 F169 F170L19-C166 HydrophobicContact CD2-CB 3.95Å; L115-C166 HydrophobicContact CD1-CB 4.26Å; I162-C166 WeakPolarHBondContact O-CB 3.39Å; I162-C166 PolarHBondContact O-N 3.09Å; I162-C166 PolarHBondContact O-SG 2.76Å; L163-C166 PolarHBondContact O-N 3.41Å; C166-F168 VanDerWaalsContact C-N 3.32Å; C166-F168 PolarHBondContact O-N 3.4Å; C166-F169 PolarHBondContact O-N 3.22Å; C166-F170 HydrophobicContact CB-CD2 4.17Å; C166-F170 HydrophobicContact CB-CE2 4.19Å; C166-F170 WeakPolarHBondContact O-CB 3.41Å; C166-F170 WeakPolarHBondContact O-CD2 3.48Å; C166-F170 PolarHBondContact O-N 3.07Å
167A94.1Very high88.5Confident6 Ų651.4 Ų51.45%0.0526%0.262CS..Hα-helixtrans-59.1-44.4177.200000111.3L115 A116 L163 I164 G165 C171L115-A167 HydrophobicContact CB-CB 3.85Å; A116-A167 HydrophobicContact CB-CB 4.11Å; L163-A167 VanDerWaalsContact O-CB 3.25Å; L163-A167 WeakPolarHBondContact O-CB 2.95Å; L163-A167 PolarHBondContact O-N 2.86Å; I164-A167 PolarHBondContact O-N 3.1Å; G165-A167 PolarHBondContact O-N 3.35Å; A167-C171 WeakPolarHBondContact O-CB 3.44Å; A167-C171 PolarHBondContact O-N 3.02Å; A167-C171 PolarHBondContact O-SG 3.13Å
168F91.6Very high86.8Confident134 Ų13452.6 Ų52.659%0.58827%0.274SS*.Hα-helixtrans-61.8-50.7175.1179.8-97.7000111.5I164 G165 C166 F170 C171 C172I164-F168 PolarHBondContact O-N 3.14Å; G165-F168 PolarHBondContact O-N 3.23Å; C166-F168 VanDerWaalsContact C-N 3.32Å; C166-F168 PolarHBondContact O-N 3.4Å; F168-F170 PolarHBondContact O-N 3.2Å; F168-C171 PolarHBondContact O-N 3.47Å; F168-C172 WeakPolarHBondContact O-CB 3.41Å; F168-C172 PolarHBondContact O-N 3.22Å; F168-C172 PolarHBondContact O-SG 2.96Å; F168-C172 VanDerWaalsContact O-SG 3.41Å
169F88.8Confident85.3Confident119 Ų11955.7 Ų55.752%0.52229%0.286SS..Hα-helixtrans-60.1-47.4179.6-77.7-67.1000112.2L15 G165 C166 C171 C172 L173L15-F169 HydrophobicContact CD2-CB 4.01Å; G165-F169 WeakPolarHBondContact O-CD2 3.25Å; G165-F169 PolarHBondContact O-N 2.8Å; C166-F169 PolarHBondContact O-N 3.22Å; F169-C171 VanDerWaalsContact C-N 3.29Å; F169-C171 PolarHBondContact O-N 2.91Å; F169-C172 PolarHBondContact O-N 3.21Å; F169-L173 VanDerWaalsContact O-CB 3.26Å; F169-L173 WeakPolarHBondContact O-CB 3.32Å; F169-L173 PolarHBondContact O-N 3.04Å
170F87.4Confident83.6Confident0 Ų059.7 Ų59.70%031%0.307CS..Hα-helixtrans-64.1-31.5178.5-77.5-57.2000113.4L15 L19 L108 I111 L115 C166 F168 P174L15-F170 HydrophobicContact CB-CE1 4.13Å; L15-F170 HydrophobicContact CB-CE2 4.18Å; L15-F170 HydrophobicContact CB-CZ 3.65Å; L15-F170 HydrophobicContact CD2-CD1 3.57Å; L15-F170 HydrophobicContact CD2-CD2 3.97Å; L15-F170 HydrophobicContact CD2-CE1 3.4Å; L15-F170 VanDerWaalsContact CD2-CE1 3.4Å; L15-F170 HydrophobicContact CD2-CE2 3.77Å; L15-F170 HydrophobicContact CD2-CG 3.9Å; L15-F170 HydrophobicContact CD2-CZ 3.52Å; L15-F170 HydrophobicContact CG-CE1 4.4Å; L15-F170 HydrophobicContact CG-CE2 4.42Å; L15-F170 HydrophobicContact CG-CZ 4.17Å; L19-F170 HydrophobicContact CD1-CE2 3.82Å; L19-F170 HydrophobicContact CD1-CZ 4.14Å; L19-F170 HydrophobicContact CG-CE2 4.33Å; L108-F170 HydrophobicContact CD1-CD1 4.3Å; L108-F170 HydrophobicContact CD1-CE1 4.39Å; L108-F170 HydrophobicContact CD2-CD1 3.7Å; L108-F170 HydrophobicContact CD2-CE1 4.35Å; L108-F170 HydrophobicContact CG-CD1 3.62Å; L108-F170 HydrophobicContact CG-CE1 4.2Å; I111-F170 HydrophobicContact CG2-CD2 4.37Å; L115-F170 HydrophobicContact CD1-CD2 3.41Å; L115-F170 VanDerWaalsContact CD1-CD2 3.41Å; L115-F170 HydrophobicContact CD1-CE2 3.7Å; C166-F170 HydrophobicContact CB-CD2 4.17Å; C166-F170 HydrophobicContact CB-CE2 4.19Å; C166-F170 WeakPolarHBondContact O-CB 3.41Å; C166-F170 WeakPolarHBondContact O-CD2 3.48Å; C166-F170 PolarHBondContact O-N 3.07Å; F168-F170 PolarHBondContact O-N 3.2Å; F170-P174 VanDerWaalsContact O-CD 3.29Å; F170-P174 WeakPolarHBondContact O-CD 3.4Å
171C86.8Confident82Confident37 Ų3763.6 Ų63.625%0.2533%0.328CS..Hα-helixtrans-72-35.3174.1-71.40000113.1A167 F168 F169A167-C171 WeakPolarHBondContact O-CB 3.44Å; A167-C171 PolarHBondContact O-N 3.02Å; A167-C171 PolarHBondContact O-SG 3.13Å; F168-C171 PolarHBondContact O-N 3.47Å; F169-C171 VanDerWaalsContact C-N 3.29Å; F169-C171 PolarHBondContact O-N 2.91Å
172C82.9Confident80.3Confident35 Ų3561.2 Ų61.224%0.23633%0.331CS..Hα-helixtrans-93.2-28.1-173.2-67.50000113.8F168 F169 P174 N175 Y176F168-C172 WeakPolarHBondContact O-CB 3.41Å; F168-C172 PolarHBondContact O-N 3.22Å; F168-C172 PolarHBondContact O-SG 2.96Å; F168-C172 VanDerWaalsContact O-SG 3.41Å; F169-C172 PolarHBondContact O-N 3.21Å; C172-P174 VanDerWaalsContact C-CD 3.41Å; C172-N175 WeakPolarHBondContact O-CB 3.48Å; C172-N175 PolarHBondContact O-N 2.86Å; C172-N175 VanDerWaalsContact O-N 3.1Å; C172-Y176 WeakPolarHBondContact O-CD2 3.3Å
173L78.9Confident78.6Confident53 Ų5365.3 Ų65.328%0.27735%0.353SS..G310 helixtrans-56.3-39.2-177.3-159.175.4000114.1L108 F169 N175 Y176 L180L108-L173 HydrophobicContact CD2-CB 3.97Å; L108-L173 HydrophobicContact CD2-CD2 3.61Å; L108-L173 HydrophobicContact CD2-CG 4.35Å; F169-L173 VanDerWaalsContact O-CB 3.26Å; F169-L173 WeakPolarHBondContact O-CB 3.32Å; F169-L173 PolarHBondContact O-N 3.04Å; L173-N175 PolarHBondContact O-N 3.46Å; L173-N175 VanDerWaalsContact O-N 3.13Å; L173-Y176 PolarHBondContact O-N 3.35Å; L173-L180 HydrophobicContact CD1-CD1 3.9Å; L173-L180 HydrophobicContact CG-CD1 3.88Å
174P76.2Confident76.9Confident22 Ų2267.3 Ų67.314%0.14337%0.37CS..G310 helixtrans-59.2-25.5177.6-26.136000113.9L108 R109 F170 C172 Y176 E177L108-P174 HydrophobicContact CB-CG 4.05Å; R109-P174 HydrophobicContact CB-CG 4.47Å; F170-P174 VanDerWaalsContact O-CD 3.29Å; F170-P174 WeakPolarHBondContact O-CD 3.4Å; C172-P174 VanDerWaalsContact C-CD 3.41Å; P174-Y176 PolarHBondContact O-N 2.87Å; P174-E177 VanDerWaalsContact O-CB 3.29Å; P174-E177 WeakPolarHBondContact O-CB 3.5Å; P174-E177 PolarHBondContact O-N 2.78Å
175N74.9Confident74.8Confident104 Ų10472.4 Ų72.456%0.55639%0.389SS*.G310 helixtrans-72.1-13178.5-57.7-30.5000112.9R109 C172 L173R109-N175 PolarHBondContact NH1-OD1 2.91Å; C172-N175 WeakPolarHBondContact O-CB 3.48Å; C172-N175 PolarHBondContact O-N 2.86Å; C172-N175 VanDerWaalsContact O-N 3.1Å; L173-N175 PolarHBondContact O-N 3.46Å; L173-N175 VanDerWaalsContact O-N 3.13Å
176Y71.3Confident73Confident137 Ų13775 Ų7554%0.53740%0.4SS..G310 helixtrans-112.213.8179.2-57.9-80.3000111.8C172 L173 P174 D178 D179 L180C172-Y176 WeakPolarHBondContact O-CD2 3.3Å; L173-Y176 PolarHBondContact O-N 3.35Å; P174-Y176 PolarHBondContact O-N 2.87Å; Y176-D178 VanDerWaalsContact C-N 3.33Å; Y176-D178 PolarHBondContact O-N 3.16Å; Y176-D179 PolarHBondContact O-N 3.42Å; Y176-L180 WeakPolarHBondContact O-CB 3.45Å; Y176-L180 WeakPolarHBondContact O-CD1 3.49Å; Y176-L180 VanDerWaalsContact O-CG 3.25Å; Y176-L180 WeakPolarHBondContact O-CG 3.34Å; Y176-L180 PolarHBondContact O-N 3.47Å
177E69.3Low71.3Confident54 Ų5484.8 Ų84.825%0.25244%0.437SS..Hα-helixtrans-54.6-44.4-177.7170168.5-174.100112.7L105 P174 D179 L180 L181L105-E177 HydrophobicContact CD1-CB 4.22Å; L105-E177 HydrophobicContact CD1-CG 3.47Å; L105-E177 VanDerWaalsContact CD1-CG 3.47Å; L105-E177 VanDerWaalsContact CD1-OE1 3.29Å; L105-E177 WeakPolarHBondContact CD1-OE1 3.35Å; P174-E177 VanDerWaalsContact O-CB 3.29Å; P174-E177 WeakPolarHBondContact O-CB 3.5Å; P174-E177 PolarHBondContact O-N 2.78Å; E177-D179 VanDerWaalsContact C-N 3.35Å; E177-D179 PolarHBondContact O-N 2.86Å; E177-L180 PolarHBondContact O-N 2.94Å; E177-L180 VanDerWaalsContact O-N 3.17Å; E177-L181 HydrophobicContact CG-CD1 3.56Å; E177-L181 HydrophobicContact CG-CG 4.26Å; E177-L181 WeakPolarHBondContact O-CB 3.43Å; E177-L181 WeakPolarHBondContact O-CG 3.44Å; E177-L181 PolarHBondContact O-N 2.88Å
178D61.2Low69.4Low107 Ų10792.4 Ų92.457%0.57247%0.465SS*.Hα-helixtrans-65.9-36-178.8-66.5-42.2000113.1Y176 G182 N183 A184Y176-D178 VanDerWaalsContact C-N 3.33Å; Y176-D178 PolarHBondContact O-N 3.16Å; D178-G182 PolarHBondContact O-N 2.79Å; D178-N183 PolarHBondContact O-N 2.79Å; D178-A184 PolarHBondContact O-N 2.87Å
179D64.8Low67.9Low100 Ų10094.8 Ų94.854%0.53548%0.476SS..Hα-helixtrans-72.6-34.6174.6-71-33.2000111Y176 E177 A184Y176-D179 PolarHBondContact O-N 3.42Å; E177-D179 VanDerWaalsContact C-N 3.35Å; E177-D179 PolarHBondContact O-N 2.86Å; D179-A184 WeakPolarHBondContact OD1-CB 3Å
180L61Low66.3Low85 Ų8599 Ų9945%0.44549%0.49SS..Hα-helixtrans-74.4-37179-73.2165.9000113.1L173 Y176 E177 G182L173-L180 HydrophobicContact CD1-CD1 3.9Å; L173-L180 HydrophobicContact CG-CD1 3.88Å; Y176-L180 WeakPolarHBondContact O-CB 3.45Å; Y176-L180 WeakPolarHBondContact O-CD1 3.49Å; Y176-L180 VanDerWaalsContact O-CG 3.25Å; Y176-L180 WeakPolarHBondContact O-CG 3.34Å; Y176-L180 PolarHBondContact O-N 3.47Å; E177-L180 PolarHBondContact O-N 2.94Å; E177-L180 VanDerWaalsContact O-N 3.17Å; L180-G182 PolarHBondContact O-N 3.36Å
181L61.6Low65Low82 Ų82105.1 Ų105.143%0.42953%0.527SS..THydrogen-bonded Turntrans-79.8-5.7176.8-70.1172.5000112.8L105 E177 N183L105-L181 HydrophobicContact CD1-CD1 4.41Å; E177-L181 HydrophobicContact CG-CD1 3.56Å; E177-L181 HydrophobicContact CG-CG 4.26Å; E177-L181 WeakPolarHBondContact O-CB 3.43Å; E177-L181 WeakPolarHBondContact O-CG 3.44Å; E177-L181 PolarHBondContact O-N 2.88Å; L181-N183 PolarHBondContact O-N 3.41Å
182G60Low63.9Low62 Ų62108.9 Ų108.964%0.63955%0.554SS**THydrogen-bonded Turntrans68.715.3-176.400000113.6D178 L180 A184D178-G182 PolarHBondContact O-N 2.79Å; L180-G182 PolarHBondContact O-N 3.36Å; G182-A184 VanDerWaalsContact C-N 3.28Å
183N61.1Low62.8Low121 Ų121115.4 Ų115.465%0.64761%0.61SS**  trans-82.8-5.9174.7-89.3-4.4000112.7D178 L181 K185D178-N183 PolarHBondContact O-N 2.79Å; L181-N183 PolarHBondContact O-N 3.41Å; N183-K185 PolarHBondContact O-N 3.25Å; N183-K185 VanDerWaalsContact O-N 3.14Å
184A60Low61.9Low42 Ų42118.5 Ų118.535%0.34763%0.627SS.*PPolyproline II helixtrans-58.4117.6175.300000110.9D178 D179 G182D178-A184 PolarHBondContact O-N 2.87Å; D179-A184 WeakPolarHBondContact OD1-CB 3Å; G182-A184 VanDerWaalsContact C-N 3.28Å
185K51.2Low61.2Low188 Ų188123.6 Ų123.682%0.81765%0.652SS**PPolyproline II helixtrans-54.1133.7171.9-75.9-175.3-176.5-176.20108.8N183 R187N183-K185 PolarHBondContact O-N 3.25Å; N183-K185 VanDerWaalsContact O-N 3.14Å; K185-R187 PolarHBondContact O-N 3.43Å
186P57.8Low60.4Low82 Ų82124.7 Ų124.753%0.53266%0.657SS.*PPolyproline II helixtrans-54.7119.2174.620.8-30.6000108.9Y188P186-Y188 HydrophobicContact CB-CE1 4.35Å; P186-Y188 HydrophobicContact CG-CE1 4.12Å; P186-Y188 HydrophobicContact CG-CE2 4.25Å; P186-Y188 WeakPolarHBondContact CG-OH 3.32Å; P186-Y188 WeakPolarHBondContact O-CD2 3.3Å; P186-Y188 WeakPolarHBondContact O-CE2 3.42Å; P186-Y188 PolarHBondContact O-N 3.41Å
187R55.8Low59.8Low210 Ų210123.9 Ų123.979%0.79267%0.665SS**  trans-70.2100.3173.5-69.2-167-167.3-169.35.2107.6K185 F189K185-R187 PolarHBondContact O-N 3.43Å; R187-F189 PolarHBondContact O-N 2.97Å; R187-F189 VanDerWaalsContact O-N 3.15Å
188Y55Low59.2Low167 Ų167128.3 Ų128.366%0.65569%0.69SS**  trans-68.9108170-51.5-74.7000108P186 Y190P186-Y188 HydrophobicContact CB-CE1 4.35Å; P186-Y188 HydrophobicContact CG-CE1 4.12Å; P186-Y188 HydrophobicContact CG-CE2 4.25Å; P186-Y188 WeakPolarHBondContact CG-OH 3.32Å; P186-Y188 WeakPolarHBondContact O-CD2 3.3Å; P186-Y188 WeakPolarHBondContact O-CE2 3.42Å; P186-Y188 PolarHBondContact O-N 3.41Å; Y188-Y190 PolarHBondContact O-N 3.41Å
189F60.3Low59.1Low184 Ų184129.7 Ų129.781%0.80770%0.698SS**  trans-72.7103.6164.6-69.2-81.3000106.9R187 T191R187-F189 PolarHBondContact O-N 2.97Å; R187-F189 VanDerWaalsContact O-N 3.15Å; F189-T191 PolarHBondContact O-N 3.18Å
190Y55.4Low58.6Low208 Ų208131.9 Ų131.982%0.81671%0.71SS**  trans-68.3100.3166.3-64.8-83.6000107.3Y188 S192Y188-Y190 PolarHBondContact O-N 3.41Å; Y190-S192 VanDerWaalsContact C-N 3.35Å; Y190-S192 PolarHBondContact O-N 3.13Å
191T58.8Low58.5Low127 Ų127135.5 Ų135.578%0.77973%0.73SS**  trans-77.694.2162.873.60000105.7F189 A193F189-T191 PolarHBondContact O-N 3.18Å; T191-A193 PolarHBondContact O-N 3.43Å; T191-A193 VanDerWaalsContact O-N 3.14Å
192S63.8Low58.2Low117 Ų117139.9 Ų139.982%0.81876%0.755SS**  trans-66111.6163.150.50000106.7Y190Y190-S192 VanDerWaalsContact C-N 3.35Å; Y190-S192 PolarHBondContact O-N 3.13Å
193A59.3Low58Low171 Ų171147 Ų147100%1.41377%0.766SS**  trans-59.90175.600000111.9T191T191-A193 PolarHBondContact O-N 3.43Å; T191-A193 VanDerWaalsContact O-N 3.14Å

Retrieved 193 of 193 residues in 801 ms (Link to these results)

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