A0A096N1Z4_PAPAN Loading...

LIM/homeobox protein Lhx5

AlphaFold DB (F7I4X9), UniProt , Accession A0A096N1Z4, Species PAPAN (Papio anubis, Olive baboon), Gene LHX5, Length 402 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
1M71.4Confident90.2Very high240 Ų24095.3 Ų95.3100%1.18250%0.497SS*.  0123.50-159.2-178.5-68.100107.1
2M84.8Confident90.6Very high112 Ų11289 Ų8955%0.55246%0.464SS*.  trans-85.8121.6-174.3-155.4175.8-150.700109.5H4 P11 L13M2-H4 PolarHBondContact O-CE1 2.97Å; M2-H4 PolarHBondContact O-ND1 3.47Å; M2-P11 HydrophobicContact CE-CB 3.7Å; M2-P11 HydrophobicContact CE-CG 4.17Å; M2-P11 HydrophobicContact CG-CB 3.83Å; M2-P11 HydrophobicContact SD-CB 3.52Å; M2-P11 VanDerWaalsContact SD-CB 3.52Å; M2-P11 HydrophobicContact SD-CG 4.21Å; M2-L13 HydrophobicContact CE-CD2 3.7Å
3V92.3Very high90.8Very high70 Ų7092.7 Ų92.742%0.42448%0.484SS..  trans-81.9128.4-178.6-177.90000109I12 A24V3-I12 HydrophobicContact CG1-CD1 4.23Å; V3-I12 PolarHBondContact O-N 2.99Å; V3-A24 HydrophobicContact CG1-CB 3.17Å
4H94.4Very high90.8Very high107 Ų10792.1 Ų92.150%0.49548%0.481SS..BIsolated β-bridgetrans-104.2141.2-179.6-66.672.5000110.5M2 A6M2-H4 PolarHBondContact O-CE1 2.97Å; M2-H4 PolarHBondContact O-ND1 3.47Å; H4-A6 PolarHBondContact O-N 2.8Å
5C94.3Very high90.8Very high2 Ų2100.9 Ų100.91%0.01451%0.505CS..  trans-72.2124.1178.1176.80000110.7G7 C8 E9 R10 I12 A24 H26C5-G7 PolarHBondContact O-N 3.03Å; C5-G7 VanDerWaalsContact O-N 3.15Å; C5-G7 PolarHBondContact SG-N 2.93Å; C5-G7 VanDerWaalsContact SG-N 3.39Å; C5-C8 VanDerWaalsContact CB-SG 3.57Å; C5-C8 PolarHBondContact O-N 2.89Å; C5-C8 VanDerWaalsContact SG-SG 3.61Å; C5-E9 WeakPolarHBondContact O-CA 3.49Å; C5-E9 PolarHBondContact O-N 3.36Å; C5-R10 PolarHBondContact N-O 3.17Å; C5-I12 HydrophobicContact CB-CD1 4.09Å; C5-I12 HydrophobicContact CB-CG1 3.82Å; C5-A24 CarbonylContact C-O 3.5Å; C5-A24 WeakPolarHBondContact CA-O 3.32Å; C5-H26 WeakPolarHBondContact CB-ND1 3.32Å; C5-H26 PolarHBondContact SG-N 3.33Å; C5-H26 VanDerWaalsContact SG-N 3.43Å; C5-H26 PolarHBondContact SG-ND1 2.99Å; C5-H26 VanDerWaalsContact SG-ND1 3.4Å
6A91.6Very high90.8Very high32 Ų32102.9 Ų102.926%0.26451%0.511SS..THydrogen-bonded Turntrans-66.5-14.9178.200000114.5H4 R23 A24 W25H4-A6 PolarHBondContact O-N 2.8Å; A6-R23 HydrophobicContact CB-CB 3.87Å; A6-R23 HydrophobicContact CB-CG 4.39Å; A6-A24 PolarHBondContact N-O 3.24Å; A6-W25 HydrophobicContact CB-CD2 4.08Å; A6-W25 HydrophobicContact CB-CH2 4.09Å; A6-W25 HydrophobicContact CB-CZ2 3.61Å
7G90.2Very high90.9Very high44 Ų44101.6 Ų101.645%0.45451%0.505SS..THydrogen-bonded Turntrans-93.9-30.9179.500000115.3C5C5-G7 PolarHBondContact O-N 3.03Å; C5-G7 VanDerWaalsContact O-N 3.15Å; C5-G7 PolarHBondContact SG-N 2.93Å; C5-G7 VanDerWaalsContact SG-N 3.39Å
8C92.3Very high90.8Very high46 Ų4698.5 Ų98.531%0.31149%0.49SS..THydrogen-bonded Turntrans-127.30.4-177.268.60000114.1C5 R10 H26 C29C5-C8 VanDerWaalsContact CB-SG 3.57Å; C5-C8 PolarHBondContact O-N 2.89Å; C5-C8 VanDerWaalsContact SG-SG 3.61Å; C8-R10 PolarHBondContact O-N 3.46Å; C8-H26 PolarHBondContact SG-CE1 3.47Å; C8-H26 PolarHBondContact SG-ND1 3.24Å; C8-C29 VanDerWaalsContact SG-SG 3.69Å
9E92.4Very high90.8Very high166 Ų16698.1 Ų98.178%0.77649%0.49SS*.  trans60.85.3176.4-58.5176.9178.900115.2C5C5-E9 WeakPolarHBondContact O-CA 3.49Å; C5-E9 PolarHBondContact O-N 3.36Å
10R93.9Very high90.8Very high181 Ų18193.4 Ų93.468%0.68347%0.467SS*.SBendtrans-85.6151.2175.8-65.7177.3-167.9178.71.4111.1C5 C8C5-R10 PolarHBondContact N-O 3.17Å; C8-R10 PolarHBondContact O-N 3.46Å
11P95.1Very high90.6Very high48 Ų4891.8 Ų91.831%0.31246%0.459SS..BIsolated β-bridgetrans-61.8138.1173.426.9-34.8000110.6M2 L13M2-P11 HydrophobicContact CE-CB 3.7Å; M2-P11 HydrophobicContact CE-CG 4.17Å; M2-P11 HydrophobicContact CG-CB 3.83Å; M2-P11 HydrophobicContact SD-CB 3.52Å; M2-P11 VanDerWaalsContact SD-CB 3.52Å; M2-P11 HydrophobicContact SD-CG 4.21Å; P11-L13 PolarHBondContact O-N 2.92Å
12I95.1Very high91.3Very high20 Ų2087.5 Ų87.510%0.10344%0.442CS..  trans-83.5111.8177.6-56.5177.4000108.4V3 C5 D14 L17 A24V3-I12 HydrophobicContact CG1-CD1 4.23Å; V3-I12 PolarHBondContact O-N 2.99Å; C5-I12 HydrophobicContact CB-CD1 4.09Å; C5-I12 HydrophobicContact CB-CG1 3.82Å; I12-D14 HydrophobicContact CG2-CB 4.19Å; I12-L17 HydrophobicContact CD1-CB 4.22Å; I12-L17 HydrophobicContact CD1-CD2 4.41Å; I12-L17 HydrophobicContact CG2-CB 4Å; I12-L17 HydrophobicContact CG2-CD2 4.39Å; I12-A24 HydrophobicContact CD1-CB 3.68Å
13L93.3Very high91.6Very high137 Ų13789 Ų8972%0.71744%0.441SS*.  trans-103.7-2.7175.7-58.3178.7000112.5M2 P11M2-L13 HydrophobicContact CE-CD2 3.7Å; P11-L13 PolarHBondContact O-N 2.92Å
14D90Very high91.6Very high84 Ų8486.3 Ų86.345%0.44943%0.426SS..SBendtrans-67.5147.5-178.7-68.9-17.1000111I12 F16 H26I12-D14 HydrophobicContact CG2-CB 4.19Å; D14-F16 WeakPolarHBondContact CB-O 3.16Å; D14-F16 PolarHBondContact O-N 3.47Å; D14-H26 IonicContact OD2-CD2 2.75Å; D14-H26 PolarHBondContact OD2-CD2 2.98Å; D14-H26 VanDerWaalsContact OD2-CD2 3.3Å
15R91.4Very high91.6Very high224 Ų22482 Ų8285%0.84541%0.405SS*.SBendtrans-59-29.9174-179.6175177.3162.91.4112.6
16F90.4Very high91.5Very high134 Ų13483 Ų8359%0.58841%0.41SS*.  trans-130.6138.8-177.7-57.8-71.5000109.6D14 I27D14-F16 WeakPolarHBondContact CB-O 3.16Å; D14-F16 PolarHBondContact O-N 3.47Å; F16-I27 HydrophobicContact CB-CD1 4.06Å
17L92Very high91.5Very high80 Ų8085.6 Ų85.642%0.41942%0.418SS..  trans-129.9160.2175.567.381.7000109.7I12 A24I12-L17 HydrophobicContact CD1-CB 4.22Å; I12-L17 HydrophobicContact CD1-CD2 4.41Å; I12-L17 HydrophobicContact CG2-CB 4Å; I12-L17 HydrophobicContact CG2-CD2 4.39Å; L17-A24 HydrophobicContact CD1-CB 4.23Å
18L90.5Very high91.5Very high46 Ų4691.6 Ų91.624%0.24143%0.432CS..EExtended strand (participates in β ladder)trans-107.3135.1173.6-64.7175.9000109.3A24 W25 I27 V30 V401L18-A24 CarbonylContact O-C 3.58Å; L18-W25 PolarHBondContact N-O 2.85Å; L18-W25 PolarHBondContact O-N 3.04Å; L18-I27 HydrophobicContact CD1-CB 4.49Å; L18-I27 HydrophobicContact CD1-CG1 4.29Å; L18-I27 HydrophobicContact CG-CG1 4.1Å; L18-V30 HydrophobicContact CB-CG2 4.03Å; L18-V30 HydrophobicContact CD1-CB 4.12Å; L18-V30 HydrophobicContact CD1-CG2 3.74Å; L18-V30 HydrophobicContact CG-CG2 4.5Å; L18-V401 HydrophobicContact CD2-CG1 4.36Å
19N90.6Very high91.5Very high90 Ų9090.8 Ų90.848%0.48143%0.427SS..EExtended strand (participates in β ladder)trans-102.7118.2172.6-162.438.2000109.1R23N19-R23 WeakPolarHBondContact CA-O 3.13Å; N19-R23 PolarHBondContact OD1-N 2.8Å; N19-R23 PolarHBondContact OD1-O 2.69Å
20V89.3Confident91.6Very high4 Ų483 Ų832%0.02439%0.39CS..EExtended strand (participates in β ladder)trans-127.5115.5-179.7-177.10000107.9D22 R23 V30 C43 L50 V401V20-D22 VanDerWaalsContact C-N 3.33Å; V20-D22 PolarHBondContact O-N 2.67Å; V20-R23 PolarHBondContact N-O 2.93Å; V20-R23 PolarHBondContact O-N 2.99Å; V20-V30 HydrophobicContact CG2-CG1 4.47Å; V20-V30 HydrophobicContact CG2-CG2 4.43Å; V20-C43 WeakPolarHBondContact CG1-SG 3.11Å; V20-L50 HydrophobicContact CG1-CD2 3.97Å; V20-V401 HydrophobicContact CG2-CG2 4.02Å
21L87.3Confident91.6Very high60 Ų6077.9 Ų77.931%0.31437%0.374SS..THydrogen-bonded Turntrans51.151.1-176.7-62169.2000112.2R23 A399L21-R23 PolarHBondContact O-N 3.49Å; L21-R23 VanDerWaalsContact O-N 3.1Å; L21-A399 HydrophobicContact CD2-CB 3.6Å; L21-A399 HydrophobicContact CG-CB 4.02Å
22D86.3Confident91.6Very high151 Ų15175.6 Ų75.681%0.80736%0.359SS*.THydrogen-bonded Turntrans60.619.4178.8-51.5-44.4000115.3V20V20-D22 VanDerWaalsContact C-N 3.33Å; V20-D22 PolarHBondContact O-N 2.67Å
23R90.4Very high91.4Very high143 Ų14376.1 Ų76.154%0.5436%0.364SS..EExtended strand (participates in β ladder)trans-117.4138172.4-68.3-179.8168.9-137.7-3.5109.8A6 N19 V20 L21 W25A6-R23 HydrophobicContact CB-CB 3.87Å; A6-R23 HydrophobicContact CB-CG 4.39Å; N19-R23 WeakPolarHBondContact CA-O 3.13Å; N19-R23 PolarHBondContact OD1-N 2.8Å; N19-R23 PolarHBondContact OD1-O 2.69Å; V20-R23 PolarHBondContact N-O 2.93Å; V20-R23 PolarHBondContact O-N 2.99Å; L21-R23 PolarHBondContact O-N 3.49Å; L21-R23 VanDerWaalsContact O-N 3.1Å; R23-W25 PolarHBondContact O-NE1 3.05Å
24A92.8Very high91.3Very high13 Ų1373.2 Ų73.211%0.10735%0.347CS..EExtended strand (participates in β ladder)trans-84.4141.4176.300000111.7V3 C5 A6 I12 L17 L18V3-A24 HydrophobicContact CG1-CB 3.17Å; C5-A24 CarbonylContact C-O 3.5Å; C5-A24 WeakPolarHBondContact CA-O 3.32Å; A6-A24 PolarHBondContact N-O 3.24Å; I12-A24 HydrophobicContact CD1-CB 3.68Å; L17-A24 HydrophobicContact CD1-CB 4.23Å; L18-A24 CarbonylContact O-C 3.58Å
25W93.7Very high91.3Very high16 Ų1671.9 Ų71.96%0.06134%0.344CS..EExtended strand (participates in β ladder)trans-138147.6-179.6-58.977.3000110.5A6 L18 R23 C29 V30 L50A6-W25 HydrophobicContact CB-CD2 4.08Å; A6-W25 HydrophobicContact CB-CH2 4.09Å; A6-W25 HydrophobicContact CB-CZ2 3.61Å; L18-W25 PolarHBondContact N-O 2.85Å; L18-W25 PolarHBondContact O-N 3.04Å; R23-W25 PolarHBondContact O-NE1 3.05Å; W25-C29 HydrophobicContact CE3-CB 4.38Å; W25-V30 HydrophobicContact CB-CG2 3.36Å; W25-V30 HydrophobicContact CD2-CG2 4.43Å; W25-V30 HydrophobicContact CG-CG2 3.89Å; W25-L50 HydrophobicContact CD2-CD1 4.17Å; W25-L50 HydrophobicContact CE3-CD1 4.09Å; W25-L50 HydrophobicContact CH2-CD1 4.02Å; W25-L50 HydrophobicContact CH2-CG 4Å; W25-L50 HydrophobicContact CZ2-CD1 4.06Å; W25-L50 HydrophobicContact CZ2-CG 4.15Å; W25-L50 HydrophobicContact CZ3-CD1 4Å; W25-L50 HydrophobicContact CZ3-CG 4.37Å
26H93.5Very high91.3Very high25 Ų2567 Ų6712%0.11633%0.329CS..  trans-64.6146.3161.4-60.3113.9000109.9C5 C8 D14 K28 C29 V30C5-H26 WeakPolarHBondContact CB-ND1 3.32Å; C5-H26 PolarHBondContact SG-N 3.33Å; C5-H26 VanDerWaalsContact SG-N 3.43Å; C5-H26 PolarHBondContact SG-ND1 2.99Å; C5-H26 VanDerWaalsContact SG-ND1 3.4Å; C8-H26 PolarHBondContact SG-CE1 3.47Å; C8-H26 PolarHBondContact SG-ND1 3.24Å; D14-H26 IonicContact OD2-CD2 2.75Å; D14-H26 PolarHBondContact OD2-CD2 2.98Å; D14-H26 VanDerWaalsContact OD2-CD2 3.3Å; H26-K28 PolarHBondContact O-N 3.4Å; H26-K28 VanDerWaalsContact O-N 3.13Å; H26-C29 HydrophobicContact CB-CB 3.91Å; H26-C29 WeakPolarHBondContact O-CA 3.41Å; H26-C29 PolarHBondContact O-N 3.28Å; H26-V30 PolarHBondContact O-N 3.33Å
27I91.1Very high91.4Very high86 Ų8664.5 Ų64.544%0.44133%0.325SS..THydrogen-bonded Turntrans-52.6-39.3174.7-63.3169.7000111.1F16 L18F16-I27 HydrophobicContact CB-CD1 4.06Å; L18-I27 HydrophobicContact CD1-CB 4.49Å; L18-I27 HydrophobicContact CD1-CG1 4.29Å; L18-I27 HydrophobicContact CG-CG1 4.1Å
28K90.8Very high91.4Very high170 Ų17065.1 Ų65.174%0.73933%0.328SS*.THydrogen-bonded Turntrans-74.6-25.8177.6-63.2179.5-178174.30113.7H26H26-K28 PolarHBondContact O-N 3.4Å; H26-K28 VanDerWaalsContact O-N 3.13Å
29C92.7Very high91.5Very high29 Ų2963.8 Ų63.820%0.19632%0.321CS..THydrogen-bonded Turntrans-83.1-16.4-179.1-69.30000113C8 W25 H26 Q31C8-C29 VanDerWaalsContact SG-SG 3.69Å; W25-C29 HydrophobicContact CE3-CB 4.38Å; H26-C29 HydrophobicContact CB-CB 3.91Å; H26-C29 WeakPolarHBondContact O-CA 3.41Å; H26-C29 PolarHBondContact O-N 3.28Å; C29-Q31 VanDerWaalsContact C-N 3.26Å; C29-Q31 PolarHBondContact O-N 2.71Å
30V93.2Very high91.2Very high2 Ų264.4 Ų64.41%0.01233%0.333CS..  trans-76.881172-1730000109.3L18 V20 W25 H26 N38 L39 L50L18-V30 HydrophobicContact CB-CG2 4.03Å; L18-V30 HydrophobicContact CD1-CB 4.12Å; L18-V30 HydrophobicContact CD1-CG2 3.74Å; L18-V30 HydrophobicContact CG-CG2 4.5Å; V20-V30 HydrophobicContact CG2-CG1 4.47Å; V20-V30 HydrophobicContact CG2-CG2 4.43Å; W25-V30 HydrophobicContact CB-CG2 3.36Å; W25-V30 HydrophobicContact CD2-CG2 4.43Å; W25-V30 HydrophobicContact CG-CG2 3.89Å; H26-V30 PolarHBondContact O-N 3.33Å; V30-N38 WeakPolarHBondContact O-CA 3.37Å; V30-L39 HydrophobicContact CG1-CB 4.07Å; V30-L39 WeakPolarHBondContact CG1-O 3.38Å; V30-L39 PolarHBondContact O-N 3.37Å; V30-L50 HydrophobicContact CB-CD1 4.5Å; V30-L50 HydrophobicContact CG1-CD1 3.9Å
31Q94.6Very high90.8Very high73 Ų7371.3 Ų71.334%0.34137%0.365SS..BIsolated β-bridgetrans-136.6151.4-179.264-176.615.400110.8C29 C33 T37C29-Q31 VanDerWaalsContact C-N 3.26Å; C29-Q31 PolarHBondContact O-N 2.71Å; Q31-C33 PolarHBondContact O-N 3.41Å; Q31-T37 CarbonylContact C-O 3.45Å; Q31-T37 VanDerWaalsContact CA-O 3.29Å; Q31-T37 WeakPolarHBondContact CA-O 3.26Å
32C93.8Very high90.7Very high0 Ų074 Ų740%037%0.374CS..  trans-62.8132175.2179.40000110.6E34 C35 K36 T37 L39 L50 C52 D55C32-E34 PolarHBondContact O-N 3.19Å; C32-E34 PolarHBondContact SG-N 2.81Å; C32-C35 WeakPolarHBondContact CB-SG 3.36Å; C32-K36 WeakPolarHBondContact O-CA 3.37Å; C32-K36 PolarHBondContact O-N 2.8Å; C32-T37 PolarHBondContact N-O 2.97Å; C32-L39 HydrophobicContact CB-CD2 4.2Å; C32-L50 CarbonylContact C-O 3.58Å; C32-L50 WeakPolarHBondContact CA-O 3.19Å; C32-C52 HydrophobicContact CB-CB 4.02Å; C32-C52 PolarHBondContact SG-N 3.31Å; C32-D55 PolarHBondContact SG-OD2 3.22Å
33C92.1Very high91Very high31 Ų3167 Ų6721%0.20934%0.337CS..THydrogen-bonded Turntrans-66.6-24.2-179.4650000113.7Q31 K36 K49 L50 Y51Q31-C33 PolarHBondContact O-N 3.41Å; C33-K36 WeakPolarHBondContact O-CE 3.33Å; C33-K36 PolarHBondContact O-NZ 3.35Å; C33-K49 HydrophobicContact CB-CB 4.38Å; C33-L50 PolarHBondContact N-O 2.71Å; C33-L50 PolarHBondContact SG-O 3Å; C33-L50 VanDerWaalsContact SG-O 3.41Å; C33-Y51 WeakPolarHBondContact SG-CD1 3.33Å; C33-Y51 WeakPolarHBondContact SG-CE1 3.43Å
34E90.2Very high91Very high76 Ų7661 Ų6136%0.35532%0.315SS..THydrogen-bonded Turntrans-87.1-68.3178.8-61.8-65141.600111.8C32 K36 Y51 D55 R59C32-E34 PolarHBondContact O-N 3.19Å; C32-E34 PolarHBondContact SG-N 2.81Å; E34-K36 PolarHBondContact O-N 3.26Å; E34-Y51 HydrophobicContact CG-CD1 4.03Å; E34-Y51 HydrophobicContact CG-CE1 3.93Å; E34-D55 HydrophobicContact CB-CB 4.06Å; E34-D55 HydrophobicContact CG-CB 4.16Å; E34-R59 IonicContact OE1-CZ 2.69Å; E34-R59 IonicContact OE1-NE 2.9Å; E34-R59 PolarHBondContact OE1-NE 3.38Å; E34-R59 IonicContact OE1-NH1 2.74Å; E34-R59 IonicContact OE1-NH2 3.66Å; E34-R59 PolarHBondContact OE1-NH2 3Å; E34-R59 IonicContact OE2-CZ 2.67Å; E34-R59 VanDerWaalsContact OE2-CZ 3.24Å; E34-R59 IonicContact OE2-NE 3.24Å; E34-R59 PolarHBondContact OE2-NE 3.32Å; E34-R59 IonicContact OE2-NH2 3.79Å; E34-R59 PolarHBondContact OE2-NH2 3.42Å
35C91.8Very high90.9Very high57 Ų5762.2 Ų62.239%0.38532%0.322SS..THydrogen-bonded Turntrans-84.9-2.8-176.163.90000115C32 T37 D55C32-C35 WeakPolarHBondContact CB-SG 3.36Å; C35-T37 PolarHBondContact O-N 3.15Å; C35-T37 PolarHBondContact SG-OG1 3.09Å; C35-T37 VanDerWaalsContact SG-OG1 3.34Å; C35-D55 WeakPolarHBondContact CB-OD2 3.44Å; C35-D55 PolarHBondContact N-OD2 3.39Å; C35-D55 PolarHBondContact SG-OD2 2.8Å
36K91.3Very high90.7Very high121 Ų12166.1 Ų66.153%0.52634%0.337SS..  trans55.315.9-177.3-52.9-54.1-170.7-1650115.2C32 C33 E34C32-K36 WeakPolarHBondContact O-CA 3.37Å; C32-K36 PolarHBondContact O-N 2.8Å; C33-K36 WeakPolarHBondContact O-CE 3.33Å; C33-K36 PolarHBondContact O-NZ 3.35Å; E34-K36 PolarHBondContact O-N 3.26Å
37T91.9Very high90.4Very high82 Ų8272 Ų7250%0.50337%0.365SS..  trans-74.8134.4176.9-55.20000109.7Q31 C32 C35 L39Q31-T37 CarbonylContact C-O 3.45Å; Q31-T37 VanDerWaalsContact CA-O 3.29Å; Q31-T37 WeakPolarHBondContact CA-O 3.26Å; C32-T37 PolarHBondContact N-O 2.97Å; C35-T37 PolarHBondContact O-N 3.15Å; C35-T37 PolarHBondContact SG-OG1 3.09Å; C35-T37 VanDerWaalsContact SG-OG1 3.34Å; T37-L39 PolarHBondContact O-N 2.92Å
38N92.5Very high90.1Very high92 Ų9270 Ų7049%0.49236%0.364SS..BIsolated β-bridgetrans-60.3133.6173.7-72.886.5000110.9V30V30-N38 WeakPolarHBondContact O-CA 3.37Å
39L92.4Very high90.1Very high19 Ų1967.1 Ų67.110%0.09935%0.352CS..  trans-101.4106.6179.7-49.7170000107.6V30 C32 T37 C43 L50 C52V30-L39 HydrophobicContact CG1-CB 4.07Å; V30-L39 WeakPolarHBondContact CG1-O 3.38Å; V30-L39 PolarHBondContact O-N 3.37Å; C32-L39 HydrophobicContact CB-CD2 4.2Å; T37-L39 PolarHBondContact O-N 2.92Å; L39-C43 HydrophobicContact CB-CB 4Å; L39-C43 HydrophobicContact CD1-CB 3.46Å; L39-C43 VanDerWaalsContact CD1-CB 3.46Å; L39-C43 HydrophobicContact CG-CB 4.29Å; L39-L50 HydrophobicContact CD1-CB 3.9Å; L39-C52 HydrophobicContact CD2-CB 3.65Å
40S82.8Confident90.1Very high103 Ų10366 Ų6672%0.7234%0.344SS*.SBendtrans-96.1-31.5-174.5550000114.2
41E81.4Confident90Very high149 Ų14966.2 Ų66.270%0.69635%0.345SS*.SBendtrans-115.6-61.9-173-65.1178-17400112.3
42K86.4Confident89.9Confident115 Ų11563.8 Ų63.850%0.534%0.335SS..EExtended strand (participates in β ladder)trans-124.8135.8-178.7-65.5-169172.7-1560110.5E398K42-E398 IonicContact NZ-OE1 2.71Å; K42-E398 PolarHBondContact NZ-OE1 3.22Å
43C90.8Very high89.6Confident5 Ų569.5 Ų69.53%0.03436%0.36CS..EExtended strand (participates in β ladder)trans-132.1153.7173.665.10000110.2V20 L39V20-C43 WeakPolarHBondContact CG1-SG 3.11Å; L39-C43 HydrophobicContact CB-CB 4Å; L39-C43 HydrophobicContact CD1-CB 3.46Å; L39-C43 VanDerWaalsContact CD1-CB 3.46Å; L39-C43 HydrophobicContact CG-CB 4.29Å
44F90.8Very high89.4Confident18 Ų1871.2 Ų71.28%0.07937%0.367CS..EExtended strand (participates in β ladder)trans-112.1125.6174.3-66.3-95.4000107.8L50 Y51 K53 F56 F57F44-L50 CarbonylContact O-C 3.57Å; F44-Y51 PolarHBondContact N-O 3.09Å; F44-Y51 PolarHBondContact O-N 2.84Å; F44-K53 HydrophobicContact CD2-CB 4.29Å; F44-K53 HydrophobicContact CE2-CB 3.65Å; F44-K53 HydrophobicContact CE2-CG 3.83Å; F44-K53 HydrophobicContact CZ-CG 4.22Å; F44-F56 HydrophobicContact CB-CB 3.83Å; F44-F56 HydrophobicContact CB-CD1 4.09Å; F44-F56 HydrophobicContact CB-CD2 3.45Å; F44-F56 VanDerWaalsContact CB-CD2 3.45Å; F44-F56 HydrophobicContact CB-CE2 3.97Å; F44-F56 HydrophobicContact CB-CG 3.51Å; F44-F56 HydrophobicContact CB-CZ 4.49Å; F44-F56 AromaticContact CD1-CD1 3.74Å; F44-F56 HydrophobicContact CD1-CD1 3.74Å; F44-F56 AromaticContact CD1-CE1 3.93Å; F44-F56 HydrophobicContact CD1-CE1 3.93Å; F44-F56 HydrophobicContact CD1-CG 4.06Å; F44-F56 HydrophobicContact CD1-CZ 4.39Å; F44-F56 HydrophobicContact CD2-CB 4.31Å; F44-F56 HydrophobicContact CE1-CD1 4.41Å; F44-F56 HydrophobicContact CG-CB 4.02Å; F44-F56 AromaticContact CG-CD1 3.93Å; F44-F56 HydrophobicContact CG-CD1 3.93Å; F44-F56 HydrophobicContact CG-CD2 4.21Å; F44-F56 HydrophobicContact CG-CE1 4.47Å; F44-F56 AromaticContact CG-CG 3.78Å; F44-F56 HydrophobicContact CG-CG 3.78Å; F44-F57 HydrophobicContact CE1-CE2 4.17Å; F44-F57 HydrophobicContact CZ-CE2 4.04Å
45S91.4Very high89.3Confident38 Ų3868.2 Ų68.227%0.26635%0.354SS..EExtended strand (participates in β ladder)trans-102.7138.3176.3-173.40000110.5K49S45-K49 WeakPolarHBondContact CA-O 3.33Å
46R89.7Confident89.2Confident97 Ų9766.2 Ų66.237%0.36634%0.339SS..EExtended strand (participates in β ladder)trans-149.8131.8168.8-172.2159.9174123.1-2.4109.1G48 K49 Y51 F56R46-G48 PolarHBondContact O-N 3.04Å; R46-K49 PolarHBondContact N-O 3.13Å; R46-K49 PolarHBondContact O-N 3.2Å; R46-Y51 HydrophobicContact CB-CD2 4.48Å; R46-Y51 HydrophobicContact CB-CE2 4.14Å; R46-F56 HydrophobicContact CB-CE2 4.14Å
47E87.8Confident89Confident150 Ų15063 Ų6370%0.70133%0.325SS*.THydrogen-bonded Turntrans53.637179.9-62.1162.8-155.200113K49E47-K49 PolarHBondContact O-N 2.97Å
48G84.4Confident88.7Confident42 Ų4265.2 Ų65.243%0.43332%0.324SS..THydrogen-bonded Turntrans74.15-17900000115.3R46R46-G48 PolarHBondContact O-N 3.04Å
49K89.8Confident88.3Confident110 Ų11066.7 Ų66.748%0.47832%0.323SS..EExtended strand (participates in β ladder)trans-106.4140.7176-65.7173.2-175.5168.10110.8C33 S45 R46 E47 Y51C33-K49 HydrophobicContact CB-CB 4.38Å; S45-K49 WeakPolarHBondContact CA-O 3.33Å; R46-K49 PolarHBondContact N-O 3.13Å; R46-K49 PolarHBondContact O-N 3.2Å; E47-K49 PolarHBondContact O-N 2.97Å; K49-Y51 HydrophobicContact CB-CE2 3.7Å; K49-Y51 WeakPolarHBondContact O-CD2 3.47Å; K49-Y51 WeakPolarHBondContact O-CE2 3.06Å
50L92.8Very high88Confident5 Ų569.1 Ų69.13%0.02633%0.333CS..EExtended strand (participates in β ladder)trans-92.2139.1175.7-58.9-179.8000111V20 W25 V30 C32 C33 L39 F44V20-L50 HydrophobicContact CG1-CD2 3.97Å; W25-L50 HydrophobicContact CD2-CD1 4.17Å; W25-L50 HydrophobicContact CE3-CD1 4.09Å; W25-L50 HydrophobicContact CH2-CD1 4.02Å; W25-L50 HydrophobicContact CH2-CG 4Å; W25-L50 HydrophobicContact CZ2-CD1 4.06Å; W25-L50 HydrophobicContact CZ2-CG 4.15Å; W25-L50 HydrophobicContact CZ3-CD1 4Å; W25-L50 HydrophobicContact CZ3-CG 4.37Å; V30-L50 HydrophobicContact CB-CD1 4.5Å; V30-L50 HydrophobicContact CG1-CD1 3.9Å; C32-L50 CarbonylContact C-O 3.58Å; C32-L50 WeakPolarHBondContact CA-O 3.19Å; C33-L50 PolarHBondContact N-O 2.71Å; C33-L50 PolarHBondContact SG-O 3Å; C33-L50 VanDerWaalsContact SG-O 3.41Å; L39-L50 HydrophobicContact CD1-CB 3.9Å; F44-L50 CarbonylContact O-C 3.57Å
51Y92.3Very high88.3Confident8 Ų865.1 Ų65.13%0.03131%0.307CS..EExtended strand (participates in β ladder)trans-128.6145-179.8-63.3-92.9000110.2C33 E34 F44 R46 K49 F56 F60C33-Y51 WeakPolarHBondContact SG-CD1 3.33Å; C33-Y51 WeakPolarHBondContact SG-CE1 3.43Å; E34-Y51 HydrophobicContact CG-CD1 4.03Å; E34-Y51 HydrophobicContact CG-CE1 3.93Å; F44-Y51 PolarHBondContact N-O 3.09Å; F44-Y51 PolarHBondContact O-N 2.84Å; R46-Y51 HydrophobicContact CB-CD2 4.48Å; R46-Y51 HydrophobicContact CB-CE2 4.14Å; K49-Y51 HydrophobicContact CB-CE2 3.7Å; K49-Y51 WeakPolarHBondContact O-CD2 3.47Å; K49-Y51 WeakPolarHBondContact O-CE2 3.06Å; Y51-F56 HydrophobicContact CD2-CD2 4.3Å; Y51-F56 HydrophobicContact CG-CD2 4.36Å; Y51-F60 HydrophobicContact CD1-CE2 4.29Å; Y51-F60 HydrophobicContact CD2-CE2 4.29Å; Y51-F60 AromaticContact CE1-CE2 3.9Å; Y51-F60 HydrophobicContact CE1-CE2 3.9Å; Y51-F60 HydrophobicContact CE1-CZ 4.38Å; Y51-F60 AromaticContact CE2-CE2 3.91Å; Y51-F60 HydrophobicContact CE2-CE2 3.91Å; Y51-F60 HydrophobicContact CE2-CZ 4.37Å; Y51-F60 HydrophobicContact CG-CE2 4.48Å; Y51-F60 AromaticContact CZ-CE2 3.73Å; Y51-F60 AromaticContact CZ-CZ 3.98Å
52C91.4Very high88.7Confident21 Ų2162.2 Ų62.214%0.14230%0.3CS..  trans-71.4160.116579.90000109.4C32 L39 N54 D55 F56C32-C52 HydrophobicContact CB-CB 4.02Å; C32-C52 PolarHBondContact SG-N 3.31Å; L39-C52 HydrophobicContact CD2-CB 3.65Å; C52-N54 VanDerWaalsContact C-N 3.26Å; C52-N54 PolarHBondContact O-N 3.47Å; C52-D55 PolarHBondContact O-N 3.36Å; C52-D55 PolarHBondContact SG-N 3.02Å; C52-D55 PolarHBondContact SG-OD2 3.18Å; C52-F56 VanDerWaalsContact O-CB 3.31Å; C52-F56 WeakPolarHBondContact O-CB 3.13Å; C52-F56 PolarHBondContact O-N 2.87Å
53K87.6Confident89Confident120 Ų12062.5 Ų62.552%0.52230%0.301SS..Hα-helixtrans-48.6-50176.6-172.8175.5178.8176.20111.6F44 F57F44-K53 HydrophobicContact CD2-CB 4.29Å; F44-K53 HydrophobicContact CE2-CB 3.65Å; F44-K53 HydrophobicContact CE2-CG 3.83Å; F44-K53 HydrophobicContact CZ-CG 4.22Å; K53-F57 HydrophobicContact CG-CD2 3.95Å; K53-F57 HydrophobicContact CG-CE2 3.99Å; K53-F57 WeakPolarHBondContact O-CD2 3.21Å; K53-F57 PolarHBondContact O-N 2.73Å; K53-F57 VanDerWaalsContact O-N 3.16Å
54N86.9Confident89.1Confident67 Ų6762.3 Ų62.336%0.35830%0.3SS..Hα-helixtrans-63.9-48.1-174.6-161.922.5000112.4C52 F57 R58C52-N54 VanDerWaalsContact C-N 3.26Å; C52-N54 PolarHBondContact O-N 3.47Å; N54-F57 PolarHBondContact O-N 3.14Å; N54-R58 PolarHBondContact ND2-NH2 3.27Å; N54-R58 VanDerWaalsContact ND2-NH2 3.19Å; N54-R58 VanDerWaalsContact O-CB 3.23Å; N54-R58 WeakPolarHBondContact O-CB 3.36Å; N54-R58 PolarHBondContact O-N 2.83Å
55D88.6Confident89.1Confident14 Ų1462.9 Ų62.98%0.07531%0.308CS..Hα-helixtrans-72.5-32.9-176.6-64.9-29.9000112.3C32 E34 C35 C52 R58 R59C32-D55 PolarHBondContact SG-OD2 3.22Å; E34-D55 HydrophobicContact CB-CB 4.06Å; E34-D55 HydrophobicContact CG-CB 4.16Å; C35-D55 WeakPolarHBondContact CB-OD2 3.44Å; C35-D55 PolarHBondContact N-OD2 3.39Å; C35-D55 PolarHBondContact SG-OD2 2.8Å; C52-D55 PolarHBondContact O-N 3.36Å; C52-D55 PolarHBondContact SG-N 3.02Å; C52-D55 PolarHBondContact SG-OD2 3.18Å; D55-R58 PolarHBondContact O-N 2.91Å; D55-R58 IonicContact OD1-CZ 3.9Å; D55-R58 IonicContact OD1-NH2 2.79Å; D55-R59 WeakPolarHBondContact O-CB 3.46Å; D55-R59 PolarHBondContact O-N 3.36Å
56F90.5Very high89.1Confident14 Ų1463.2 Ų63.26%0.06132%0.318CS..Hα-helixtrans-59.9-53.3173.2-176-97.5000111F44 R46 Y51 C52 R58 R59 F60 L396F44-F56 HydrophobicContact CB-CB 3.83Å; F44-F56 HydrophobicContact CB-CD1 4.09Å; F44-F56 HydrophobicContact CB-CD2 3.45Å; F44-F56 VanDerWaalsContact CB-CD2 3.45Å; F44-F56 HydrophobicContact CB-CE2 3.97Å; F44-F56 HydrophobicContact CB-CG 3.51Å; F44-F56 HydrophobicContact CB-CZ 4.49Å; F44-F56 AromaticContact CD1-CD1 3.74Å; F44-F56 HydrophobicContact CD1-CD1 3.74Å; F44-F56 AromaticContact CD1-CE1 3.93Å; F44-F56 HydrophobicContact CD1-CE1 3.93Å; F44-F56 HydrophobicContact CD1-CG 4.06Å; F44-F56 HydrophobicContact CD1-CZ 4.39Å; F44-F56 HydrophobicContact CD2-CB 4.31Å; F44-F56 HydrophobicContact CE1-CD1 4.41Å; F44-F56 HydrophobicContact CG-CB 4.02Å; F44-F56 AromaticContact CG-CD1 3.93Å; F44-F56 HydrophobicContact CG-CD1 3.93Å; F44-F56 HydrophobicContact CG-CD2 4.21Å; F44-F56 HydrophobicContact CG-CE1 4.47Å; F44-F56 AromaticContact CG-CG 3.78Å; F44-F56 HydrophobicContact CG-CG 3.78Å; R46-F56 HydrophobicContact CB-CE2 4.14Å; Y51-F56 HydrophobicContact CD2-CD2 4.3Å; Y51-F56 HydrophobicContact CG-CD2 4.36Å; C52-F56 VanDerWaalsContact O-CB 3.31Å; C52-F56 WeakPolarHBondContact O-CB 3.13Å; C52-F56 PolarHBondContact O-N 2.87Å; F56-R58 VanDerWaalsContact C-N 3.32Å; F56-R58 PolarHBondContact O-N 2.8Å; F56-R59 PolarHBondContact O-N 3.49Å; F56-F60 AromaticContact CD2-CD2 3.7Å; F56-F60 HydrophobicContact CD2-CD2 3.7Å; F56-F60 HydrophobicContact CD2-CE2 4.24Å; F56-F60 AromaticContact CE2-CD2 3.89Å; F56-F60 HydrophobicContact CE2-CD2 3.89Å; F56-F60 HydrophobicContact CG-CD2 4.29Å; F56-F60 WeakPolarHBondContact O-CB 3.31Å; F56-F60 WeakPolarHBondContact O-CD2 3.39Å; F56-F60 PolarHBondContact O-N 2.74Å; F56-L396 HydrophobicContact CE1-CD2 4.4Å
57F87.3Confident89.2Confident55 Ų5560.9 Ų60.924%0.24132%0.315CS..Hα-helixtrans-69.3-30.6178.6-77.2-76.6000112.6F44 K53 N54 R59 G61 P73F44-F57 HydrophobicContact CE1-CE2 4.17Å; F44-F57 HydrophobicContact CZ-CE2 4.04Å; K53-F57 HydrophobicContact CG-CD2 3.95Å; K53-F57 HydrophobicContact CG-CE2 3.99Å; K53-F57 WeakPolarHBondContact O-CD2 3.21Å; K53-F57 PolarHBondContact O-N 2.73Å; K53-F57 VanDerWaalsContact O-N 3.16Å; N54-F57 PolarHBondContact O-N 3.14Å; F57-R59 VanDerWaalsContact C-N 3.35Å; F57-R59 PolarHBondContact O-N 3.09Å; F57-G61 WeakPolarHBondContact O-CA 3.31Å; F57-G61 PolarHBondContact O-N 3.46Å; F57-P73 HydrophobicContact CB-CG 4.14Å; F57-P73 HydrophobicContact CD1-CG 3.77Å; F57-P73 HydrophobicContact CD2-CG 3.32Å; F57-P73 HydrophobicContact CE1-CG 3.97Å; F57-P73 HydrophobicContact CE2-CG 3.59Å; F57-P73 HydrophobicContact CG-CG 3.46Å; F57-P73 VanDerWaalsContact CG-CG 3.46Å; F57-P73 HydrophobicContact CZ-CG 3.9Å
58R84.4Confident89.3Confident128 Ų12857.3 Ų57.348%0.48331%0.311SS..Hα-helixtrans-63.8-40174.5-169.7-174.5-58-1746112.4N54 D55 F56 G70N54-R58 PolarHBondContact ND2-NH2 3.27Å; N54-R58 VanDerWaalsContact ND2-NH2 3.19Å; N54-R58 VanDerWaalsContact O-CB 3.23Å; N54-R58 WeakPolarHBondContact O-CB 3.36Å; N54-R58 PolarHBondContact O-N 2.83Å; D55-R58 PolarHBondContact O-N 2.91Å; D55-R58 IonicContact OD1-CZ 3.9Å; D55-R58 IonicContact OD1-NH2 2.79Å; F56-R58 VanDerWaalsContact C-N 3.32Å; F56-R58 PolarHBondContact O-N 2.8Å; R58-G70 WeakPolarHBondContact O-CA 3.43Å
59R84.3Confident89.5Confident123 Ų12361.5 Ų61.546%0.46432%0.32SS..Hα-helixtrans-86.5-45.3-177.9-76.7-173.4160.3-119.47.8113.2E34 D55 F56 F57E34-R59 IonicContact OE1-CZ 2.69Å; E34-R59 IonicContact OE1-NE 2.9Å; E34-R59 PolarHBondContact OE1-NE 3.38Å; E34-R59 IonicContact OE1-NH1 2.74Å; E34-R59 IonicContact OE1-NH2 3.66Å; E34-R59 PolarHBondContact OE1-NH2 3Å; E34-R59 IonicContact OE2-CZ 2.67Å; E34-R59 VanDerWaalsContact OE2-CZ 3.24Å; E34-R59 IonicContact OE2-NE 3.24Å; E34-R59 PolarHBondContact OE2-NE 3.32Å; E34-R59 IonicContact OE2-NH2 3.79Å; E34-R59 PolarHBondContact OE2-NH2 3.42Å; D55-R59 WeakPolarHBondContact O-CB 3.46Å; D55-R59 PolarHBondContact O-N 3.36Å; F56-R59 PolarHBondContact O-N 3.49Å; F57-R59 VanDerWaalsContact C-N 3.35Å; F57-R59 PolarHBondContact O-N 3.09Å
60F87.5Confident89.5Confident70 Ų7056.9 Ų56.931%0.30730%0.303SS..Hα-helixtrans-113.8-10.4-168.8-50.5-68.1000113.6Y51 F56Y51-F60 HydrophobicContact CD1-CE2 4.29Å; Y51-F60 HydrophobicContact CD2-CE2 4.29Å; Y51-F60 AromaticContact CE1-CE2 3.9Å; Y51-F60 HydrophobicContact CE1-CE2 3.9Å; Y51-F60 HydrophobicContact CE1-CZ 4.38Å; Y51-F60 AromaticContact CE2-CE2 3.91Å; Y51-F60 HydrophobicContact CE2-CE2 3.91Å; Y51-F60 HydrophobicContact CE2-CZ 4.37Å; Y51-F60 HydrophobicContact CG-CE2 4.48Å; Y51-F60 AromaticContact CZ-CE2 3.73Å; Y51-F60 AromaticContact CZ-CZ 3.98Å; F56-F60 AromaticContact CD2-CD2 3.7Å; F56-F60 HydrophobicContact CD2-CD2 3.7Å; F56-F60 HydrophobicContact CD2-CE2 4.24Å; F56-F60 AromaticContact CE2-CD2 3.89Å; F56-F60 HydrophobicContact CE2-CD2 3.89Å; F56-F60 HydrophobicContact CG-CD2 4.29Å; F56-F60 WeakPolarHBondContact O-CB 3.31Å; F56-F60 WeakPolarHBondContact O-CD2 3.39Å; F56-F60 PolarHBondContact O-N 2.74Å
61G87.6Confident89.3Confident18 Ų1857.3 Ų57.319%0.18631%0.306CS..SBendtrans-83.9-172.1178.100000113.4F57 K63F57-G61 WeakPolarHBondContact O-CA 3.31Å; F57-G61 PolarHBondContact O-N 3.46Å; G61-K63 PolarHBondContact O-N 2.96Å
62T90.4Very high89Confident88 Ų8857.6 Ų57.654%0.5431%0.308SS..PPolyproline II helixtrans-59.3131.6179.2-51.90000111I71 V84T62-I71 HydrophobicContact CG2-CD1 4.36Å; T62-I71 WeakPolarHBondContact O-CB 3.08Å; T62-I71 PolarHBondContact O-N 3.26Å; T62-V84 HydrophobicContact CG2-CB 4.14Å; T62-V84 HydrophobicContact CG2-CG2 3.95Å
63K92.1Very high88.6Confident121 Ų12159.9 Ų59.953%0.52632%0.323SS..BIsolated β-bridgetrans-101.6143.6179.1-61.4179.7-176.8178.60111G61 A65G61-K63 PolarHBondContact O-N 2.96Å; K63-A65 PolarHBondContact O-N 3.39Å
64C92.9Very high88.5Confident1 Ų158.9 Ų58.91%0.00733%0.331CS..PPolyproline II helixtrans-65.7124.5171.9174.80000109.5G66 C67 A68 Q69 I71 V84 H86C64-G66 PolarHBondContact O-N 3.33Å; C64-G66 PolarHBondContact SG-N 2.73Å; C64-G66 VanDerWaalsContact SG-N 3.36Å; C64-C67 VanDerWaalsContact SG-SG 3.64Å; C64-A68 WeakPolarHBondContact O-CA 3.35Å; C64-A68 PolarHBondContact O-N 3.24Å; C64-Q69 WeakPolarHBondContact CB-O 3.41Å; C64-Q69 PolarHBondContact N-O 3.36Å; C64-I71 HydrophobicContact CB-CD1 4.02Å; C64-I71 HydrophobicContact CB-CG1 4.08Å; C64-V84 CarbonylContact C-O 3.5Å; C64-V84 WeakPolarHBondContact CA-O 3.37Å; C64-H86 VanDerWaalsContact CB-CE1 3.46Å; C64-H86 WeakPolarHBondContact CB-CE1 3.47Å; C64-H86 WeakPolarHBondContact CB-ND1 3.39Å; C64-H86 PolarHBondContact SG-N 2.83Å; C64-H86 PolarHBondContact SG-ND1 2.93Å
65A92.5Very high88.6Confident31 Ų3159.1 Ų59.126%0.25633%0.333SS..THydrogen-bonded Turntrans-68.2-18.9177.800000113.5K63 K83 V84 F85 N111K63-A65 PolarHBondContact O-N 3.39Å; A65-K83 HydrophobicContact CB-CB 3.87Å; A65-K83 HydrophobicContact CB-CD 3.74Å; A65-K83 HydrophobicContact CB-CG 4.25Å; A65-V84 PolarHBondContact N-O 3Å; A65-F85 HydrophobicContact CB-CD1 4.08Å; A65-F85 HydrophobicContact CB-CE1 3.48Å; A65-F85 VanDerWaalsContact CB-CE1 3.48Å; A65-F85 HydrophobicContact CB-CE2 4.24Å; A65-F85 HydrophobicContact CB-CZ 3.57Å; A65-N111 PolarHBondContact O-ND2 3.13Å; A65-N111 VanDerWaalsContact O-ND2 3.09Å
66G90.9Very high88.7Confident45 Ų4565.2 Ų65.246%0.46437%0.365SS..THydrogen-bonded Turntrans-83.7-39.9178.300000114.4C64C64-G66 PolarHBondContact O-N 3.33Å; C64-G66 PolarHBondContact SG-N 2.73Å; C64-G66 VanDerWaalsContact SG-N 3.36Å
67C91.6Very high88.9Confident47 Ų4767.4 Ų67.432%0.31838%0.379SS..THydrogen-bonded Turntrans-119.91.2-176.868.20000114.6C64 Q69 H86 C89C64-C67 VanDerWaalsContact SG-SG 3.64Å; C67-Q69 PolarHBondContact O-N 3.43Å; C67-H86 VanDerWaalsContact SG-CE1 3.56Å; C67-H86 PolarHBondContact SG-ND1 3.43Å; C67-C89 VanDerWaalsContact SG-SG 3.65Å
68A89.9Confident89.2Confident75 Ų7566.9 Ų66.962%0.6238%0.375SS*.  trans58.64.1-176.400000116.1C64C64-A68 WeakPolarHBondContact O-CA 3.35Å; C64-A68 PolarHBondContact O-N 3.24Å
69Q88.8Confident89.5Confident131 Ų13168.4 Ų68.461%0.61239%0.385SS*.PPolyproline II helixtrans-80.4145.9176.8-60.9179.320.300110.9C64 C67C64-Q69 WeakPolarHBondContact CB-O 3.41Å; C64-Q69 PolarHBondContact N-O 3.36Å; C67-Q69 PolarHBondContact O-N 3.43Å
70G89.1Confident89.7Confident13 Ų1363.4 Ų63.413%0.13437%0.37CS..BIsolated β-bridgetrans-66.5141.2176.900000112.5R58R58-G70 WeakPolarHBondContact O-CA 3.43Å
71I89.4Confident89.7Confident14 Ų1468.4 Ų68.47%0.07239%0.387CS..PPolyproline II helixtrans-95.7129.4-178.5-67.7161000108.4T62 C64 D75 V77 V84 H86T62-I71 HydrophobicContact CG2-CD1 4.36Å; T62-I71 WeakPolarHBondContact O-CB 3.08Å; T62-I71 PolarHBondContact O-N 3.26Å; C64-I71 HydrophobicContact CB-CD1 4.02Å; C64-I71 HydrophobicContact CB-CG1 4.08Å; I71-D75 HydrophobicContact CG2-CB 4.17Å; I71-V77 HydrophobicContact CB-CG1 4.47Å; I71-V77 HydrophobicContact CD1-CG1 4.07Å; I71-V77 HydrophobicContact CG1-CG1 4.28Å; I71-V77 HydrophobicContact CG2-CG1 3.39Å; I71-V84 HydrophobicContact CD1-CB 4.01Å; I71-V84 HydrophobicContact CD1-CG1 3.68Å; I71-H86 WeakPolarHBondContact CG1-NE2 3.39Å
72S85.5Confident89.8Confident13 Ų1372.6 Ų72.69%0.09141%0.413CS..PPolyproline II helixtrans-72.6146.6172.8175.80000110.9S74 D75S72-S74 PolarHBondContact O-N 3.42Å; S72-S74 PolarHBondContact OG-N 2.83Å; S72-S74 PolarHBondContact OG-OG 2.86Å; S72-D75 VanDerWaalsContact CB-OD2 3.27Å; S72-D75 WeakPolarHBondContact CB-OD2 3.23Å; S72-D75 PolarHBondContact N-OD2 3.43Å; S72-D75 WeakPolarHBondContact O-CB 3.38Å; S72-D75 PolarHBondContact O-N 2.95Å
73P83.3Confident89.8Confident70 Ų7071 Ų7146%0.45540%0.399SS..THydrogen-bonded Turntrans-58.2-20.2172.8-23.533.1000114.2F57F57-P73 HydrophobicContact CB-CG 4.14Å; F57-P73 HydrophobicContact CD1-CG 3.77Å; F57-P73 HydrophobicContact CD2-CG 3.32Å; F57-P73 HydrophobicContact CE1-CG 3.97Å; F57-P73 HydrophobicContact CE2-CG 3.59Å; F57-P73 HydrophobicContact CG-CG 3.46Å; F57-P73 VanDerWaalsContact CG-CG 3.46Å; F57-P73 HydrophobicContact CZ-CG 3.9Å
74S85.4Confident89.9Confident98 Ų9866.7 Ų66.769%0.68538%0.383SS*.THydrogen-bonded Turntrans-85.1-13.8175.456.80000113.7S72S72-S74 PolarHBondContact O-N 3.42Å; S72-S74 PolarHBondContact OG-N 2.83Å; S72-S74 PolarHBondContact OG-OG 2.86Å
75D88.6Confident89.9Confident73 Ų7366.7 Ų66.739%0.3938%0.383SS..SBendtrans-78.4135.1-173.2-65.3-16.1000110.5I71 S72I71-D75 HydrophobicContact CG2-CB 4.17Å; S72-D75 VanDerWaalsContact CB-OD2 3.27Å; S72-D75 WeakPolarHBondContact CB-OD2 3.23Å; S72-D75 PolarHBondContact N-OD2 3.43Å; S72-D75 WeakPolarHBondContact O-CB 3.38Å; S72-D75 PolarHBondContact O-N 2.95Å
76L91.4Very high90Very high142 Ų14266.8 Ų66.874%0.74338%0.378SS*.  trans-69.9134.2167-67.5171.9000108.4L87L76-L87 VanDerWaalsContact C-CD1 3.49Å; L76-L87 HydrophobicContact CB-CD1 3.88Å; L76-L87 HydrophobicContact CB-CD2 4.45Å; L76-L87 VanDerWaalsContact O-CD1 3.23Å; L76-L87 WeakPolarHBondContact O-CD1 3.41Å
77V93.4Very high90Very high59 Ų5967.1 Ų67.136%0.35837%0.369SS..EExtended strand (participates in β ladder)trans-133158.5-177.9-68.40000111.8I71 V84 F85I71-V77 HydrophobicContact CB-CG1 4.47Å; I71-V77 HydrophobicContact CD1-CG1 4.07Å; I71-V77 HydrophobicContact CG1-CG1 4.28Å; I71-V77 HydrophobicContact CG2-CG1 3.39Å; V77-V84 HydrophobicContact CB-CG1 3.61Å; V77-V84 HydrophobicContact CG1-CG1 4.01Å; V77-V84 HydrophobicContact CG2-CG1 3.64Å; V77-F85 WeakPolarHBondContact CA-O 3.45Å; V77-F85 WeakPolarHBondContact CB-O 3.28Å
78R93.4Very high90.1Very high44 Ų4471 Ų7117%0.16639%0.387CS..EExtended strand (participates in β ladder)trans-102.7138.6166.9-66.9-57.2-174.279.519.7109.5V84 F85 L87 F90 L99R78-V84 CarbonylContact O-C 3.55Å; R78-V84 WeakPolarHBondContact O-CA 3.46Å; R78-F85 PolarHBondContact N-O 3.23Å; R78-F85 PolarHBondContact O-N 3.47Å; R78-L87 HydrophobicContact CG-CD1 4.26Å; R78-F90 HydrophobicContact CB-CB 4Å; R78-F90 HydrophobicContact CB-CD1 4.01Å; R78-F90 HydrophobicContact CB-CD2 4Å; R78-F90 HydrophobicContact CB-CG 3.71Å; R78-F90 HydrophobicContact CG-CB 3.99Å; R78-F90 HydrophobicContact CG-CD1 3.85Å; R78-F90 HydrophobicContact CG-CG 3.91Å; R78-L99 PolarHBondContact NH1-O 3.3Å; R78-L99 PolarHBondContact NH2-O 3.13Å
79K91.3Very high90.2Very high160 Ų16069 Ų6970%0.69637%0.367SS*.EExtended strand (participates in β ladder)trans-110.5125.2172.6-168.2176.9-179-177.80107.9K83K79-K83 WeakPolarHBondContact CA-O 3.49Å
80A89.3Confident90.5Very high18 Ų1863.2 Ų63.215%0.14934%0.34CS..EExtended strand (participates in β ladder)trans-129.3124.4173.800000108.1S82 K83 F85 F90 F113A80-S82 PolarHBondContact O-N 2.85Å; A80-K83 PolarHBondContact N-O 3.22Å; A80-K83 PolarHBondContact O-N 2.95Å; A80-F85 HydrophobicContact CB-CD2 4.42Å; A80-F85 HydrophobicContact CB-CE2 4.09Å; A80-F90 HydrophobicContact CB-CE2 3.64Å; A80-F90 HydrophobicContact CB-CZ 4.14Å; A80-F113 HydrophobicContact CB-CE1 4.09Å; A80-F113 HydrophobicContact CB-CZ 4.16Å
81R87.1Confident90.8Very high176 Ų17664.4 Ų64.466%0.66435%0.345SS*.THydrogen-bonded Turntrans51.8-120-169.9-58178.5174.4162.7-1.5110.4
82S88.6Confident91Very high105 Ų10563.8 Ų63.873%0.73434%0.342SS*.THydrogen-bonded Turntrans-97.31.217853.30000114.1A80A80-S82 PolarHBondContact O-N 2.85Å
83K91.3Very high91.3Very high54 Ų5467.7 Ų67.724%0.23536%0.36CS..EExtended strand (participates in β ladder)trans-109.5154.7-174.2-62.4-171.1-171.9-174.20112.6A65 K79 A80 F85 E110 N111A65-K83 HydrophobicContact CB-CB 3.87Å; A65-K83 HydrophobicContact CB-CD 3.74Å; A65-K83 HydrophobicContact CB-CG 4.25Å; K79-K83 WeakPolarHBondContact CA-O 3.49Å; A80-K83 PolarHBondContact N-O 3.22Å; A80-K83 PolarHBondContact O-N 2.95Å; K83-F85 HydrophobicContact CB-CD2 4.49Å; K83-F85 HydrophobicContact CB-CE2 3.56Å; K83-F85 HydrophobicContact CB-CZ 3.86Å; K83-F85 HydrophobicContact CD-CZ 4.43Å; K83-E110 WeakPolarHBondContact CE-OE2 3.43Å; K83-E110 IonicContact NZ-OE2 2.93Å; K83-E110 PolarHBondContact NZ-OE2 3.5Å; K83-N111 VanDerWaalsContact CD-OD1 3.26Å; K83-N111 WeakPolarHBondContact CD-OD1 3.24Å; K83-N111 PolarHBondContact NZ-OD1 3.33Å
84V93.5Very high91.7Very high32 Ų3268.5 Ų68.519%0.19436%0.363CS..EExtended strand (participates in β ladder)trans-117139-178.7-165.20000109.5T62 C64 A65 I71 V77 R78T62-V84 HydrophobicContact CG2-CB 4.14Å; T62-V84 HydrophobicContact CG2-CG2 3.95Å; C64-V84 CarbonylContact C-O 3.5Å; C64-V84 WeakPolarHBondContact CA-O 3.37Å; A65-V84 PolarHBondContact N-O 3Å; I71-V84 HydrophobicContact CD1-CB 4.01Å; I71-V84 HydrophobicContact CD1-CG1 3.68Å; V77-V84 HydrophobicContact CB-CG1 3.61Å; V77-V84 HydrophobicContact CG1-CG1 4.01Å; V77-V84 HydrophobicContact CG2-CG1 3.64Å; R78-V84 CarbonylContact O-C 3.55Å; R78-V84 WeakPolarHBondContact O-CA 3.46Å
85F93.8Very high92Very high0 Ų066.7 Ų66.70%035%0.35CS..EExtended strand (participates in β ladder)trans-133.4144.4-175.3-59.9-96.3000110.2A65 V77 R78 A80 K83 F90 N111 F113A65-F85 HydrophobicContact CB-CD1 4.08Å; A65-F85 HydrophobicContact CB-CE1 3.48Å; A65-F85 VanDerWaalsContact CB-CE1 3.48Å; A65-F85 HydrophobicContact CB-CE2 4.24Å; A65-F85 HydrophobicContact CB-CZ 3.57Å; V77-F85 WeakPolarHBondContact CA-O 3.45Å; V77-F85 WeakPolarHBondContact CB-O 3.28Å; R78-F85 PolarHBondContact N-O 3.23Å; R78-F85 PolarHBondContact O-N 3.47Å; A80-F85 HydrophobicContact CB-CD2 4.42Å; A80-F85 HydrophobicContact CB-CE2 4.09Å; K83-F85 HydrophobicContact CB-CD2 4.49Å; K83-F85 HydrophobicContact CB-CE2 3.56Å; K83-F85 HydrophobicContact CB-CZ 3.86Å; K83-F85 HydrophobicContact CD-CZ 4.43Å; F85-F90 HydrophobicContact CB-CB 4.23Å; F85-F90 HydrophobicContact CB-CD2 4.09Å; F85-F90 HydrophobicContact CD2-CD2 4.11Å; F85-F90 HydrophobicContact CD2-CE2 4.46Å; F85-F90 HydrophobicContact CG-CD2 4.08Å; F85-N111 HydrophobicContact CE1-CB 4.43Å; F85-F113 HydrophobicContact CD1-CE2 4.21Å; F85-F113 HydrophobicContact CD2-CZ 4.4Å; F85-F113 AromaticContact CE1-CE2 3.88Å; F85-F113 HydrophobicContact CE1-CE2 3.88Å; F85-F113 HydrophobicContact CE1-CZ 4.02Å; F85-F113 HydrophobicContact CE2-CE2 4.35Å; F85-F113 AromaticContact CE2-CZ 3.81Å; F85-F113 HydrophobicContact CE2-CZ 3.81Å; F85-F113 AromaticContact CZ-CE2 3.97Å; F85-F113 HydrophobicContact CZ-CE2 3.97Å; F85-F113 AromaticContact CZ-CZ 3.6Å; F85-F113 HydrophobicContact CZ-CZ 3.6Å
86H93.7Very high92.2Very high34 Ų3468.9 Ų68.916%0.15736%0.362CS..EExtended strand (participates in β ladder)trans-60.5152.4162.9-63.9123.4000109.9C64 C67 I71 N88 C89 F90C64-H86 VanDerWaalsContact CB-CE1 3.46Å; C64-H86 WeakPolarHBondContact CB-CE1 3.47Å; C64-H86 WeakPolarHBondContact CB-ND1 3.39Å; C64-H86 PolarHBondContact SG-N 2.83Å; C64-H86 PolarHBondContact SG-ND1 2.93Å; C67-H86 VanDerWaalsContact SG-CE1 3.56Å; C67-H86 PolarHBondContact SG-ND1 3.43Å; I71-H86 WeakPolarHBondContact CG1-NE2 3.39Å; H86-N88 PolarHBondContact O-N 2.8Å; H86-C89 HydrophobicContact CB-CB 4.11Å; H86-C89 PolarHBondContact O-N 3.01Å; H86-F90 PolarHBondContact O-N 3.16Å; H86-F90 VanDerWaalsContact O-N 3.09Å
87L92.5Very high92.3Very high52 Ų5266.1 Ų66.127%0.27234%0.344SS..G310 helixtrans-51.4-43.5172.7-106.170.6000111.9L76 R78 C89 F90 Q98L76-L87 VanDerWaalsContact C-CD1 3.49Å; L76-L87 HydrophobicContact CB-CD1 3.88Å; L76-L87 HydrophobicContact CB-CD2 4.45Å; L76-L87 VanDerWaalsContact O-CD1 3.23Å; L76-L87 WeakPolarHBondContact O-CD1 3.41Å; R78-L87 HydrophobicContact CG-CD1 4.26Å; L87-C89 VanDerWaalsContact C-N 3.3Å; L87-C89 PolarHBondContact O-N 3.08Å; L87-F90 PolarHBondContact O-N 3.32Å; L87-Q98 WeakPolarHBondContact O-CG 3.44Å; L87-Q98 PolarHBondContact O-NE2 2.95Å
88N92.4Very high92.3Very high129 Ų12966.8 Ų66.869%0.6934%0.343SS*.G310 helixtrans-77.4-15.8-178.5-60.6-5.1000113.4H86 T91H86-N88 PolarHBondContact O-N 2.8Å; N88-T91 WeakPolarHBondContact O-CG2 3.42Å
89C93.4Very high92.2Very high32 Ų3264.7 Ų64.722%0.21634%0.335CS..G310 helixtrans-93.8-8.4175.9-60.50000112.3C67 H86 L87 T91C67-C89 VanDerWaalsContact SG-SG 3.65Å; H86-C89 HydrophobicContact CB-CB 4.11Å; H86-C89 PolarHBondContact O-N 3.01Å; L87-C89 VanDerWaalsContact C-N 3.3Å; L87-C89 PolarHBondContact O-N 3.08Å; C89-T91 VanDerWaalsContact C-N 3.35Å; C89-T91 PolarHBondContact O-N 3.45Å
90F94.5Very high92.1Very high10 Ų1059.7 Ų59.74%0.04432%0.32CS..SBendtrans-95.667.7178.7-161-103.9000109.9R78 A80 F85 H86 L87 L99 L105 F113R78-F90 HydrophobicContact CB-CB 4Å; R78-F90 HydrophobicContact CB-CD1 4.01Å; R78-F90 HydrophobicContact CB-CD2 4Å; R78-F90 HydrophobicContact CB-CG 3.71Å; R78-F90 HydrophobicContact CG-CB 3.99Å; R78-F90 HydrophobicContact CG-CD1 3.85Å; R78-F90 HydrophobicContact CG-CG 3.91Å; A80-F90 HydrophobicContact CB-CE2 3.64Å; A80-F90 HydrophobicContact CB-CZ 4.14Å; F85-F90 HydrophobicContact CB-CB 4.23Å; F85-F90 HydrophobicContact CB-CD2 4.09Å; F85-F90 HydrophobicContact CD2-CD2 4.11Å; F85-F90 HydrophobicContact CD2-CE2 4.46Å; F85-F90 HydrophobicContact CG-CD2 4.08Å; H86-F90 PolarHBondContact O-N 3.16Å; H86-F90 VanDerWaalsContact O-N 3.09Å; L87-F90 PolarHBondContact O-N 3.32Å; F90-L99 HydrophobicContact CD1-CB 3.76Å; F90-L99 HydrophobicContact CD1-CD1 4.48Å; F90-L99 HydrophobicContact CE1-CB 3.74Å; F90-L99 HydrophobicContact CE1-CD1 4.2Å; F90-L99 PolarHBondContact O-N 3.08Å; F90-L105 HydrophobicContact CE1-CD2 3.66Å; F90-L105 HydrophobicContact CZ-CD2 3.59Å; F90-F113 HydrophobicContact CD2-CD2 4.02Å; F90-F113 AromaticContact CD2-CE2 3.64Å; F90-F113 HydrophobicContact CD2-CE2 3.64Å; F90-F113 AromaticContact CD2-CZ 3.98Å; F90-F113 HydrophobicContact CD2-CZ 3.98Å; F90-F113 HydrophobicContact CE2-CD1 4.12Å; F90-F113 AromaticContact CE2-CD2 3.96Å; F90-F113 HydrophobicContact CE2-CD2 3.96Å; F90-F113 AromaticContact CE2-CE1 3.79Å; F90-F113 HydrophobicContact CE2-CE1 3.79Å; F90-F113 AromaticContact CE2-CE2 3.62Å; F90-F113 HydrophobicContact CE2-CE2 3.62Å; F90-F113 HydrophobicContact CE2-CG 4.21Å; F90-F113 AromaticContact CE2-CZ 3.53Å; F90-F113 HydrophobicContact CE2-CZ 3.53Å; F90-F113 HydrophobicContact CZ-CD1 4.46Å; F90-F113 HydrophobicContact CZ-CE1 4.44Å
91T94.4Very high92.2Very high38 Ų3865 Ų6523%0.23335%0.35CS..BIsolated β-bridgetrans-123.3155.3-172.450.80000111.5N88 C89 K97 Q98N88-T91 WeakPolarHBondContact O-CG2 3.42Å; C89-T91 VanDerWaalsContact C-N 3.35Å; C89-T91 PolarHBondContact O-N 3.45Å; T91-K97 CarbonylContact C-O 3.56Å; T91-K97 WeakPolarHBondContact CA-O 3.35Å; T91-Q98 HydrophobicContact CG2-CB 4.22Å
92C93.7Very high92.2Very high0 Ų060.4 Ų60.40%036%0.359CS..BIsolated β-bridgetrans-65.1133.3170-178.40000110.1V94 C95 N96 K97 L99 F113 C115 D118C92-V94 PolarHBondContact O-N 3.5Å; C92-V94 PolarHBondContact SG-N 2.6Å; C92-V94 VanDerWaalsContact SG-N 3.37Å; C92-C95 VanDerWaalsContact CB-SG 3.52Å; C92-N96 WeakPolarHBondContact O-CA 3.29Å; C92-N96 PolarHBondContact O-N 3.39Å; C92-K97 PolarHBondContact N-O 2.85Å; C92-L99 HydrophobicContact CB-CD2 4.47Å; C92-F113 CarbonylContact C-O 3.58Å; C92-F113 WeakPolarHBondContact CA-O 3.43Å; C92-C115 HydrophobicContact CB-CB 4.18Å; C92-C115 PolarHBondContact SG-N 3.45Å; C92-D118 PolarHBondContact SG-OD2 2.9Å
93M92.3Very high92.3Very high95 Ų9558.7 Ų58.747%0.46834%0.339SS..THydrogen-bonded Turntrans-72.4-14.9177.667.4178.7-71.200114.1K112 F113 V114M93-K112 HydrophobicContact CE-CD 4.18Å; M93-K112 HydrophobicContact SD-CB 3.91Å; M93-K112 HydrophobicContact SD-CD 4.13Å; M93-K112 HydrophobicContact SD-CG 4.46Å; M93-F113 WeakPolarHBondContact CG-O 3.42Å; M93-F113 PolarHBondContact N-O 3.33Å; M93-V114 HydrophobicContact CG-CG2 3.72Å; M93-V114 HydrophobicContact SD-CG2 3.98Å
94V91.9Very high92.3Very high88 Ų8861.5 Ų61.553%0.53335%0.353SS..THydrogen-bonded Turntrans-93.5-63.2-179.5178.40000110C92 V114 D118C92-V94 PolarHBondContact O-N 3.5Å; C92-V94 PolarHBondContact SG-N 2.6Å; C92-V94 VanDerWaalsContact SG-N 3.37Å; V94-V114 HydrophobicContact CG2-CG1 4.32Å; V94-V114 HydrophobicContact CG2-CG2 4.44Å; V94-D118 HydrophobicContact CB-CB 3.93Å; V94-D118 WeakPolarHBondContact CB-OD2 3.46Å; V94-D118 HydrophobicContact CG1-CB 4.01Å; V94-D118 HydrophobicContact CG2-CB 4.31Å
95C92.7Very high92.3Very high59 Ų5962.6 Ų62.640%0.39936%0.357SS..THydrogen-bonded Turntrans-90.8-1.3-179.3660000115.7C92 K97 D118C92-C95 VanDerWaalsContact CB-SG 3.52Å; C95-K97 PolarHBondContact O-N 3.16Å; C95-K97 WeakPolarHBondContact SG-CB 3.43Å; C95-D118 WeakPolarHBondContact CB-OD2 3.4Å; C95-D118 PolarHBondContact N-OD2 2.75Å; C95-D118 VanDerWaalsContact N-OD2 3.13Å; C95-D118 PolarHBondContact SG-OD2 2.93Å
96N92Very high92.1Very high120 Ų12066.2 Ų66.264%0.64237%0.371SS*.  trans57.69.7-173.6-63.4-56000115.2C92 Q98C92-N96 WeakPolarHBondContact O-CA 3.29Å; C92-N96 PolarHBondContact O-N 3.39Å; N96-Q98 PolarHBondContact O-N 2.89Å
97K92.4Very high92Very high84 Ų8466.9 Ų66.937%0.36538%0.378SS..PPolyproline II helixtrans-64.8133.4177.7-177.7-174.7167.8-165.30110.5T91 C92 C95 L99 E103T91-K97 CarbonylContact C-O 3.56Å; T91-K97 WeakPolarHBondContact CA-O 3.35Å; C92-K97 PolarHBondContact N-O 2.85Å; C95-K97 PolarHBondContact O-N 3.16Å; C95-K97 WeakPolarHBondContact SG-CB 3.43Å; K97-L99 PolarHBondContact O-N 3.42Å; K97-E103 VanDerWaalsContact CE-OE1 3.31Å; K97-E103 WeakPolarHBondContact CE-OE1 3.31Å; K97-E103 IonicContact NZ-OE1 3.46Å; K97-E103 PolarHBondContact NZ-OE1 3.29Å; K97-E103 IonicContact NZ-OE2 2.97Å
98Q93.4Very high91.8Very high73 Ų7369.1 Ų69.134%0.34139%0.389SS..BIsolated β-bridgetrans-68.8123.9171.7-174177.620.600111.1L87 T91 N96L87-Q98 WeakPolarHBondContact O-CG 3.44Å; L87-Q98 PolarHBondContact O-NE2 2.95Å; T91-Q98 HydrophobicContact CG2-CB 4.22Å; N96-Q98 PolarHBondContact O-N 2.89Å
99L91.6Very high91.4Very high0 Ų067 Ų670%038%0.378CS..PPolyproline II helixtrans-81.7121.5-175.8-59.8170.8000110R78 F90 C92 K97 E103 L105 F113 C115R78-L99 PolarHBondContact NH1-O 3.3Å; R78-L99 PolarHBondContact NH2-O 3.13Å; F90-L99 HydrophobicContact CD1-CB 3.76Å; F90-L99 HydrophobicContact CD1-CD1 4.48Å; F90-L99 HydrophobicContact CE1-CB 3.74Å; F90-L99 HydrophobicContact CE1-CD1 4.2Å; F90-L99 PolarHBondContact O-N 3.08Å; C92-L99 HydrophobicContact CB-CD2 4.47Å; K97-L99 PolarHBondContact O-N 3.42Å; L99-E103 WeakPolarHBondContact CA-OE2 3.28Å; L99-L105 HydrophobicContact CB-CD2 4.38Å; L99-L105 HydrophobicContact CD1-CB 3.88Å; L99-L105 HydrophobicContact CD1-CD2 3.93Å; L99-L105 HydrophobicContact CD1-CG 4.44Å; L99-L105 HydrophobicContact CD2-CB 4.48Å; L99-F113 HydrophobicContact CD1-CB 3.6Å; L99-F113 HydrophobicContact CD1-CG 4.33Å; L99-C115 HydrophobicContact CD2-CB 3.68Å
100S90.6Very high90.9Very high55 Ų5571.3 Ų71.339%0.38539%0.394SS..PPolyproline II helixtrans-93162.6-174.4-71.40000114G102 E103S100-G102 PolarHBondContact O-N 2.89Å; S100-E103 PolarHBondContact N-OE2 3.46Å; S100-E103 PolarHBondContact O-N 3.45Å; S100-E103 VanDerWaalsContact O-N 3.14Å
101T90.6Very high90.4Very high128 Ų12874 Ų7479%0.78541%0.41SS*.THydrogen-bonded Turntrans-62.7121.8174.9-55.70000109.5
102G88.1Confident90.2Very high81 Ų8177.2 Ų77.284%0.83542%0.42SS*.THydrogen-bonded Turntrans93.5-1.5-178.300000114.6S100S100-G102 PolarHBondContact O-N 2.89Å
103E89.5Confident90.2Very high69 Ų6977.4 Ų77.432%0.32242%0.421SS..  trans-82.7141.4167.8-65.3-173149.800110.7K97 L99 S100K97-E103 VanDerWaalsContact CE-OE1 3.31Å; K97-E103 WeakPolarHBondContact CE-OE1 3.31Å; K97-E103 IonicContact NZ-OE1 3.46Å; K97-E103 PolarHBondContact NZ-OE1 3.29Å; K97-E103 IonicContact NZ-OE2 2.97Å; L99-E103 WeakPolarHBondContact CA-OE2 3.28Å; S100-E103 PolarHBondContact N-OE2 3.46Å; S100-E103 PolarHBondContact O-N 3.45Å; S100-E103 VanDerWaalsContact O-N 3.14Å
104E91.6Very high90.3Very high112 Ų11273.2 Ų73.252%0.52340%0.401SS..  trans-77.9136173.4-70.8174.8-17200110.3K116E104-K116 HydrophobicContact CB-CB 4.02Å; E104-K116 HydrophobicContact CB-CD 4.25Å; E104-K116 HydrophobicContact CB-CG 4.4Å; E104-K116 PolarHBondContact O-N 3.26Å; E104-K116 VanDerWaalsContact O-N 3.15Å; E104-K116 IonicContact OE1-NZ 3.05Å; E104-K116 WeakPolarHBondContact OE2-CD 3.48Å; E104-K116 WeakPolarHBondContact OE2-CE 3.27Å; E104-K116 IonicContact OE2-NZ 3.59Å; E104-K116 PolarHBondContact OE2-NZ 3.03Å
105L92.4Very high90.4Very high55 Ų5569.2 Ų69.229%0.28838%0.377SS..EExtended strand (participates in β ladder)trans-141.5152.1179.767.491.3000110.3F90 L99 V107 F113 V114F90-L105 HydrophobicContact CE1-CD2 3.66Å; F90-L105 HydrophobicContact CZ-CD2 3.59Å; L99-L105 HydrophobicContact CB-CD2 4.38Å; L99-L105 HydrophobicContact CD1-CB 3.88Å; L99-L105 HydrophobicContact CD1-CD2 3.93Å; L99-L105 HydrophobicContact CD1-CG 4.44Å; L99-L105 HydrophobicContact CD2-CB 4.48Å; L105-V107 HydrophobicContact CD1-CG2 3.77Å; L105-F113 HydrophobicContact CD1-CD1 4.03Å; L105-V114 CarbonylContact C-O 3.55Å; L105-V114 WeakPolarHBondContact CA-O 3.3Å
106Y91.1Very high90.4Very high77 Ų7770.2 Ų70.230%0.30237%0.374SS..EExtended strand (participates in β ladder)trans-111.3136175.7-65.7-92.3000109.2F113 V114 K116 Y119Y106-F113 CarbonylContact O-C 3.57Å; Y106-F113 WeakPolarHBondContact O-CA 3.46Å; Y106-V114 PolarHBondContact N-O 2.96Å; Y106-V114 PolarHBondContact O-N 3Å; Y106-K116 HydrophobicContact CE2-CB 4.41Å; Y106-K116 HydrophobicContact CE2-CG 4.36Å; Y106-Y119 AromaticContact CD1-CD1 3.76Å; Y106-Y119 HydrophobicContact CD1-CD1 3.76Å; Y106-Y119 HydrophobicContact CD1-CD2 4.06Å; Y106-Y119 AromaticContact CD1-CE1 3.66Å; Y106-Y119 HydrophobicContact CD1-CE1 3.66Å; Y106-Y119 AromaticContact CD1-CE2 3.96Å; Y106-Y119 HydrophobicContact CD1-CE2 3.96Å; Y106-Y119 AromaticContact CD1-CG 3.95Å; Y106-Y119 HydrophobicContact CD1-CG 3.95Å; Y106-Y119 AromaticContact CD1-CZ 3.76Å; Y106-Y119 AromaticContact CD2-CD1 3.58Å; Y106-Y119 HydrophobicContact CD2-CD1 3.58Å; Y106-Y119 AromaticContact CD2-CD2 3.98Å; Y106-Y119 HydrophobicContact CD2-CD2 3.98Å; Y106-Y119 HydrophobicContact CD2-CE1 4.34Å; Y106-Y119 AromaticContact CD2-CG 3.35Å; Y106-Y119 HydrophobicContact CD2-CG 3.35Å; Y106-Y119 AromaticContact CE1-CD1 3.63Å; Y106-Y119 HydrophobicContact CE1-CD1 3.63Å; Y106-Y119 AromaticContact CE1-CE1 3.49Å; Y106-Y119 HydrophobicContact CE1-CE1 3.49Å; Y106-Y119 VanDerWaalsContact CE1-CE1 3.49Å; Y106-Y119 HydrophobicContact CE1-CG 4.27Å; Y106-Y119 AromaticContact CE2-CD1 3.44Å; Y106-Y119 HydrophobicContact CE2-CD1 3.44Å; Y106-Y119 VanDerWaalsContact CE2-CD1 3.44Å; Y106-Y119 HydrophobicContact CE2-CE1 4.2Å; Y106-Y119 AromaticContact CE2-CG 3.72Å; Y106-Y119 HydrophobicContact CE2-CG 3.72Å; Y106-Y119 AromaticContact CG-CD1 3.73Å; Y106-Y119 HydrophobicContact CG-CD1 3.73Å; Y106-Y119 AromaticContact CG-CD2 3.63Å; Y106-Y119 HydrophobicContact CG-CD2 3.63Å; Y106-Y119 HydrophobicContact CG-CE1 4.08Å; Y106-Y119 AromaticContact CG-CE2 3.98Å; Y106-Y119 HydrophobicContact CG-CE2 3.98Å; Y106-Y119 AromaticContact CG-CG 3.47Å; Y106-Y119 HydrophobicContact CG-CG 3.47Å; Y106-Y119 VanDerWaalsContact CG-CG 3.47Å; Y106-Y119 AromaticContact CZ-CD1 3.47Å; Y106-Y119 VanDerWaalsContact CZ-CD1 3.47Å; Y106-Y119 AromaticContact CZ-CE1 3.77Å
107V91.3Very high90.4Very high47 Ų4769.1 Ų69.129%0.28537%0.368SS..EExtended strand (participates in β ladder)trans-101105.9179.8-172.90000107.8L105 D109 F113L105-V107 HydrophobicContact CD1-CG2 3.77Å; V107-D109 WeakPolarHBondContact CG1-O 3.4Å; V107-F113 HydrophobicContact CG1-CD1 4.42Å; V107-F113 HydrophobicContact CG1-CE1 4.28Å; V107-F113 HydrophobicContact CG2-CD1 4.09Å; V107-F113 HydrophobicContact CG2-CE1 4.24Å
108I88.2Confident90.4Very high100 Ų10066.6 Ų66.651%0.51336%0.359SS..EExtended strand (participates in β ladder)trans-81.5-39.2-178.7-55.6-58.7000110.7K112 V114 Y119I108-K112 PolarHBondContact N-O 3.48Å; I108-V114 HydrophobicContact CD1-CG2 4.11Å; I108-V114 HydrophobicContact CG1-CB 4.32Å; I108-V114 HydrophobicContact CG1-CG2 3.47Å; I108-V114 VanDerWaalsContact CG1-CG2 3.47Å; I108-Y119 HydrophobicContact CD1-CD2 4.27Å; I108-Y119 HydrophobicContact CD1-CE2 4.17Å
109D84.2Confident90.3Very high85 Ų8567.2 Ų67.246%0.45536%0.359SS..EExtended strand (participates in β ladder)trans-144.7168.5178.9-166.12.5000108.6V107 N111 K112V107-D109 WeakPolarHBondContact CG1-O 3.4Å; D109-N111 PolarHBondContact O-N 3.43Å; D109-K112 HydrophobicContact CB-CB 4.01Å; D109-K112 HydrophobicContact CB-CD 4.21Å; D109-K112 HydrophobicContact CB-CG 4.16Å; D109-K112 PolarHBondContact O-N 2.84Å
110E81.7Confident90.2Very high121 Ų12170.9 Ų70.957%0.56538%0.378SS*.THydrogen-bonded Turntrans-53.9-28.2-171.9-60.2-166.8148.400114.2K83K83-E110 WeakPolarHBondContact CE-OE2 3.43Å; K83-E110 IonicContact NZ-OE2 2.93Å; K83-E110 PolarHBondContact NZ-OE2 3.5Å
111N85.3Confident90.1Very high68 Ų6871.6 Ų71.636%0.36438%0.383SS..THydrogen-bonded Turntrans-121.79.1-178.7-58.6-6.5000113.2A65 K83 F85 D109A65-N111 PolarHBondContact O-ND2 3.13Å; A65-N111 VanDerWaalsContact O-ND2 3.09Å; K83-N111 VanDerWaalsContact CD-OD1 3.26Å; K83-N111 WeakPolarHBondContact CD-OD1 3.24Å; K83-N111 PolarHBondContact NZ-OD1 3.33Å; F85-N111 HydrophobicContact CE1-CB 4.43Å; D109-N111 PolarHBondContact O-N 3.43Å
112K89.3Confident89.4Confident104 Ų10468.3 Ų68.345%0.45237%0.365SS..EExtended strand (participates in β ladder)trans-121.4125-175.2-62.5-174.7-177.3-1780111.6M93 I108 D109M93-K112 HydrophobicContact CE-CD 4.18Å; M93-K112 HydrophobicContact SD-CB 3.91Å; M93-K112 HydrophobicContact SD-CD 4.13Å; M93-K112 HydrophobicContact SD-CG 4.46Å; I108-K112 PolarHBondContact N-O 3.48Å; D109-K112 HydrophobicContact CB-CB 4.01Å; D109-K112 HydrophobicContact CB-CD 4.21Å; D109-K112 HydrophobicContact CB-CG 4.16Å; D109-K112 PolarHBondContact O-N 2.84Å
113F93.3Very high88.6Confident5 Ų566.5 Ų66.52%0.02234%0.34CS..EExtended strand (participates in β ladder)trans-119143.4-176-48.1-71.4000110.4A80 F85 F90 C92 M93 L99 L105 Y106 V107A80-F113 HydrophobicContact CB-CE1 4.09Å; A80-F113 HydrophobicContact CB-CZ 4.16Å; F85-F113 HydrophobicContact CD1-CE2 4.21Å; F85-F113 HydrophobicContact CD2-CZ 4.4Å; F85-F113 AromaticContact CE1-CE2 3.88Å; F85-F113 HydrophobicContact CE1-CE2 3.88Å; F85-F113 HydrophobicContact CE1-CZ 4.02Å; F85-F113 HydrophobicContact CE2-CE2 4.35Å; F85-F113 AromaticContact CE2-CZ 3.81Å; F85-F113 HydrophobicContact CE2-CZ 3.81Å; F85-F113 AromaticContact CZ-CE2 3.97Å; F85-F113 HydrophobicContact CZ-CE2 3.97Å; F85-F113 AromaticContact CZ-CZ 3.6Å; F85-F113 HydrophobicContact CZ-CZ 3.6Å; F90-F113 HydrophobicContact CD2-CD2 4.02Å; F90-F113 AromaticContact CD2-CE2 3.64Å; F90-F113 HydrophobicContact CD2-CE2 3.64Å; F90-F113 AromaticContact CD2-CZ 3.98Å; F90-F113 HydrophobicContact CD2-CZ 3.98Å; F90-F113 HydrophobicContact CE2-CD1 4.12Å; F90-F113 AromaticContact CE2-CD2 3.96Å; F90-F113 HydrophobicContact CE2-CD2 3.96Å; F90-F113 AromaticContact CE2-CE1 3.79Å; F90-F113 HydrophobicContact CE2-CE1 3.79Å; F90-F113 AromaticContact CE2-CE2 3.62Å; F90-F113 HydrophobicContact CE2-CE2 3.62Å; F90-F113 HydrophobicContact CE2-CG 4.21Å; F90-F113 AromaticContact CE2-CZ 3.53Å; F90-F113 HydrophobicContact CE2-CZ 3.53Å; F90-F113 HydrophobicContact CZ-CD1 4.46Å; F90-F113 HydrophobicContact CZ-CE1 4.44Å; C92-F113 CarbonylContact C-O 3.58Å; C92-F113 WeakPolarHBondContact CA-O 3.43Å; M93-F113 WeakPolarHBondContact CG-O 3.42Å; M93-F113 PolarHBondContact N-O 3.33Å; L99-F113 HydrophobicContact CD1-CB 3.6Å; L99-F113 HydrophobicContact CD1-CG 4.33Å; L105-F113 HydrophobicContact CD1-CD1 4.03Å; Y106-F113 CarbonylContact O-C 3.57Å; Y106-F113 WeakPolarHBondContact O-CA 3.46Å; V107-F113 HydrophobicContact CG1-CD1 4.42Å; V107-F113 HydrophobicContact CG1-CE1 4.28Å; V107-F113 HydrophobicContact CG2-CD1 4.09Å; V107-F113 HydrophobicContact CG2-CE1 4.24Å
114V94.4Very high87.2Confident7 Ų767.3 Ų67.34%0.04235%0.353CS..EExtended strand (participates in β ladder)trans-123.7134.1171.9-177.90000107.8M93 V94 L105 Y106 I108 D118M93-V114 HydrophobicContact CG-CG2 3.72Å; M93-V114 HydrophobicContact SD-CG2 3.98Å; V94-V114 HydrophobicContact CG2-CG1 4.32Å; V94-V114 HydrophobicContact CG2-CG2 4.44Å; L105-V114 CarbonylContact C-O 3.55Å; L105-V114 WeakPolarHBondContact CA-O 3.3Å; Y106-V114 PolarHBondContact N-O 2.96Å; Y106-V114 PolarHBondContact O-N 3Å; I108-V114 HydrophobicContact CD1-CG2 4.11Å; I108-V114 HydrophobicContact CG1-CB 4.32Å; I108-V114 HydrophobicContact CG1-CG2 3.47Å; I108-V114 VanDerWaalsContact CG1-CG2 3.47Å; V114-D118 HydrophobicContact CG1-CB 3.71Å
115C94.6Very high85.6Confident4 Ų468.9 Ų68.93%0.02736%0.364CS..EExtended strand (participates in β ladder)trans-70.2160.9175.5690000110.4C92 L99 D117 D118 Y119C92-C115 HydrophobicContact CB-CB 4.18Å; C92-C115 PolarHBondContact SG-N 3.45Å; L99-C115 HydrophobicContact CD2-CB 3.68Å; C115-D117 VanDerWaalsContact C-N 3.27Å; C115-D117 PolarHBondContact O-N 3.41Å; C115-D118 PolarHBondContact O-N 2.86Å; C115-D118 PolarHBondContact SG-N 3Å; C115-D118 VanDerWaalsContact SG-N 3.41Å; C115-D118 PolarHBondContact SG-OD2 3.05Å; C115-Y119 WeakPolarHBondContact O-CB 3.48Å; C115-Y119 PolarHBondContact O-N 3.47Å
116K92.8Very high83.9Confident79 Ų7975.1 Ų75.134%0.34339%0.389SS..Hα-helixtrans-51.1-46.7177.1-174.2-168.8-171.6149.70113.3E104 Y106 Y119 L120E104-K116 HydrophobicContact CB-CB 4.02Å; E104-K116 HydrophobicContact CB-CD 4.25Å; E104-K116 HydrophobicContact CB-CG 4.4Å; E104-K116 PolarHBondContact O-N 3.26Å; E104-K116 VanDerWaalsContact O-N 3.15Å; E104-K116 IonicContact OE1-NZ 3.05Å; E104-K116 WeakPolarHBondContact OE2-CD 3.48Å; E104-K116 WeakPolarHBondContact OE2-CE 3.27Å; E104-K116 IonicContact OE2-NZ 3.59Å; E104-K116 PolarHBondContact OE2-NZ 3.03Å; Y106-K116 HydrophobicContact CE2-CB 4.41Å; Y106-K116 HydrophobicContact CE2-CG 4.36Å; K116-Y119 PolarHBondContact O-N 3.16Å; K116-L120 HydrophobicContact CD-CD1 4.44Å; K116-L120 HydrophobicContact CG-CD1 3.9Å; K116-L120 HydrophobicContact CG-CG 4.41Å; K116-L120 WeakPolarHBondContact O-CG 3.23Å; K116-L120 PolarHBondContact O-N 2.93Å
117D92.5Very high82Confident97 Ų9779.9 Ų79.952%0.51941%0.414SS..Hα-helixtrans-63.6-46.7-173.8-53.9-34000111.4C115 S121C115-D117 VanDerWaalsContact C-N 3.27Å; C115-D117 PolarHBondContact O-N 3.41Å; D117-S121 WeakPolarHBondContact O-CB 3.42Å; D117-S121 PolarHBondContact O-N 2.98Å; D117-S121 PolarHBondContact O-OG 3.22Å
118D92.8Very high79.9Confident32 Ų3280.5 Ų80.517%0.17143%0.43CS..Hα-helixtrans-70.6-35178.6-68.6-25.5000111.8C92 V94 C95 V114 C115 S121 S122C92-D118 PolarHBondContact SG-OD2 2.9Å; V94-D118 HydrophobicContact CB-CB 3.93Å; V94-D118 WeakPolarHBondContact CB-OD2 3.46Å; V94-D118 HydrophobicContact CG1-CB 4.01Å; V94-D118 HydrophobicContact CG2-CB 4.31Å; C95-D118 WeakPolarHBondContact CB-OD2 3.4Å; C95-D118 PolarHBondContact N-OD2 2.75Å; C95-D118 VanDerWaalsContact N-OD2 3.13Å; C95-D118 PolarHBondContact SG-OD2 2.93Å; V114-D118 HydrophobicContact CG1-CB 3.71Å; C115-D118 PolarHBondContact O-N 2.86Å; C115-D118 PolarHBondContact SG-N 3Å; C115-D118 VanDerWaalsContact SG-N 3.41Å; C115-D118 PolarHBondContact SG-OD2 3.05Å; D118-S121 PolarHBondContact O-N 3.33Å; D118-S122 VanDerWaalsContact O-CB 3.32Å; D118-S122 WeakPolarHBondContact O-CB 3.45Å; D118-S122 PolarHBondContact O-N 3.47Å; D118-S122 PolarHBondContact O-OG 2.96Å
119Y91.2Very high78Confident85 Ų8580.4 Ų80.433%0.33344%0.438SS..Hα-helixtrans-63.9-49.7177.6-175.7-97.6000110.9Y106 I108 C115 K116 S121 S122 S123Y106-Y119 AromaticContact CD1-CD1 3.76Å; Y106-Y119 HydrophobicContact CD1-CD1 3.76Å; Y106-Y119 HydrophobicContact CD1-CD2 4.06Å; Y106-Y119 AromaticContact CD1-CE1 3.66Å; Y106-Y119 HydrophobicContact CD1-CE1 3.66Å; Y106-Y119 AromaticContact CD1-CE2 3.96Å; Y106-Y119 HydrophobicContact CD1-CE2 3.96Å; Y106-Y119 AromaticContact CD1-CG 3.95Å; Y106-Y119 HydrophobicContact CD1-CG 3.95Å; Y106-Y119 AromaticContact CD1-CZ 3.76Å; Y106-Y119 AromaticContact CD2-CD1 3.58Å; Y106-Y119 HydrophobicContact CD2-CD1 3.58Å; Y106-Y119 AromaticContact CD2-CD2 3.98Å; Y106-Y119 HydrophobicContact CD2-CD2 3.98Å; Y106-Y119 HydrophobicContact CD2-CE1 4.34Å; Y106-Y119 AromaticContact CD2-CG 3.35Å; Y106-Y119 HydrophobicContact CD2-CG 3.35Å; Y106-Y119 AromaticContact CE1-CD1 3.63Å; Y106-Y119 HydrophobicContact CE1-CD1 3.63Å; Y106-Y119 AromaticContact CE1-CE1 3.49Å; Y106-Y119 HydrophobicContact CE1-CE1 3.49Å; Y106-Y119 VanDerWaalsContact CE1-CE1 3.49Å; Y106-Y119 HydrophobicContact CE1-CG 4.27Å; Y106-Y119 AromaticContact CE2-CD1 3.44Å; Y106-Y119 HydrophobicContact CE2-CD1 3.44Å; Y106-Y119 VanDerWaalsContact CE2-CD1 3.44Å; Y106-Y119 HydrophobicContact CE2-CE1 4.2Å; Y106-Y119 AromaticContact CE2-CG 3.72Å; Y106-Y119 HydrophobicContact CE2-CG 3.72Å; Y106-Y119 AromaticContact CG-CD1 3.73Å; Y106-Y119 HydrophobicContact CG-CD1 3.73Å; Y106-Y119 AromaticContact CG-CD2 3.63Å; Y106-Y119 HydrophobicContact CG-CD2 3.63Å; Y106-Y119 HydrophobicContact CG-CE1 4.08Å; Y106-Y119 AromaticContact CG-CE2 3.98Å; Y106-Y119 HydrophobicContact CG-CE2 3.98Å; Y106-Y119 AromaticContact CG-CG 3.47Å; Y106-Y119 HydrophobicContact CG-CG 3.47Å; Y106-Y119 VanDerWaalsContact CG-CG 3.47Å; Y106-Y119 AromaticContact CZ-CD1 3.47Å; Y106-Y119 VanDerWaalsContact CZ-CD1 3.47Å; Y106-Y119 AromaticContact CZ-CE1 3.77Å; I108-Y119 HydrophobicContact CD1-CD2 4.27Å; I108-Y119 HydrophobicContact CD1-CE2 4.17Å; C115-Y119 WeakPolarHBondContact O-CB 3.48Å; C115-Y119 PolarHBondContact O-N 3.47Å; K116-Y119 PolarHBondContact O-N 3.16Å; Y119-S121 VanDerWaalsContact C-N 3.34Å; Y119-S121 PolarHBondContact O-N 2.97Å; Y119-S122 PolarHBondContact O-N 3.27Å; Y119-S122 PolarHBondContact O-OG 3.05Å; Y119-S123 PolarHBondContact O-N 2.77Å; Y119-S123 PolarHBondContact O-OG 2.89Å
120L89.1Confident76.3Confident77 Ų7784.1 Ų84.140%0.40346%0.457SS..Hα-helixtrans-64.2-38.8177.6-67175.9000112.1K116 S122 S123 S124K116-L120 HydrophobicContact CD-CD1 4.44Å; K116-L120 HydrophobicContact CG-CD1 3.9Å; K116-L120 HydrophobicContact CG-CG 4.41Å; K116-L120 WeakPolarHBondContact O-CG 3.23Å; K116-L120 PolarHBondContact O-N 2.93Å; L120-S122 VanDerWaalsContact C-N 3.32Å; L120-S122 PolarHBondContact O-N 3.06Å; L120-S123 WeakPolarHBondContact CA-OG 3.49Å; L120-S123 PolarHBondContact O-N 3.48Å; L120-S123 PolarHBondContact O-OG 3.31Å; L120-S124 PolarHBondContact O-N 3.34Å; L120-S124 PolarHBondContact O-OG 3.43Å
121S87.6Confident74.4Confident71 Ų7185.8 Ų85.850%0.49747%0.47SS..Hα-helixtrans-64.2-39.1176.3-58.10000111.7D117 D118 Y119D117-S121 WeakPolarHBondContact O-CB 3.42Å; D117-S121 PolarHBondContact O-N 2.98Å; D117-S121 PolarHBondContact O-OG 3.22Å; D118-S121 PolarHBondContact O-N 3.33Å; Y119-S121 VanDerWaalsContact C-N 3.34Å; Y119-S121 PolarHBondContact O-N 2.97Å
122S77.6Confident72.6Confident59 Ų5988.1 Ų88.141%0.41349%0.492SS..Hα-helixtrans-74.5-29.3177.374.70000113.7D118 Y119 L120D118-S122 VanDerWaalsContact O-CB 3.32Å; D118-S122 WeakPolarHBondContact O-CB 3.45Å; D118-S122 PolarHBondContact O-N 3.47Å; D118-S122 PolarHBondContact O-OG 2.96Å; Y119-S122 PolarHBondContact O-N 3.27Å; Y119-S122 PolarHBondContact O-OG 3.05Å; L120-S122 VanDerWaalsContact C-N 3.32Å; L120-S122 PolarHBondContact O-N 3.06Å
123S70.1Confident70.3Confident43 Ų4389.6 Ų89.630%0.30151%0.509SS..Hα-helixtrans-74-39175.558.50000111.9Y119 L120 L125 K126Y119-S123 PolarHBondContact O-N 2.77Å; Y119-S123 PolarHBondContact O-OG 2.89Å; L120-S123 WeakPolarHBondContact CA-OG 3.49Å; L120-S123 PolarHBondContact O-N 3.48Å; L120-S123 PolarHBondContact O-OG 3.31Å; S123-L125 PolarHBondContact O-N 3.39Å; S123-K126 PolarHBondContact O-N 3.08Å
124S60.5Low67.7Low85 Ų8595.2 Ų95.259%0.59455%0.549SS*.Hα-helixtrans-61.7-24.2177.5-62.10000113.3L120L120-S124 PolarHBondContact O-N 3.34Å; L120-S124 PolarHBondContact O-OG 3.43Å
125L57.7Low65.3Low146 Ų146100 Ų10076%0.76458%0.582SS**THydrogen-bonded Turntrans-80.4-18.5175-66.6173.5000113.5S123S123-L125 PolarHBondContact O-N 3.39Å
126K57.4Low62.8Low186 Ų186105.1 Ų105.181%0.80962%0.617SS**THydrogen-bonded Turntrans-87-23.5179.1-75.6-173174.9-177.30113.7S123S123-K126 PolarHBondContact O-N 3.08Å
127E51.6Low60.2Low176 Ų176107.6 Ų107.682%0.82264%0.639SS**G310 helixtrans-83.5-9.9172.5-96171.7134.800113.7S129E127-S129 PolarHBondContact O-N 3.48Å
128G46.2Very low57.6Low60 Ų60109.9 Ų109.962%0.61965%0.651SS**G310 helixtrans-82.7-2.2-179.100000116.3
129S48Very low54.9Low99 Ų99118.9 Ų118.969%0.69268%0.683SS**G310 helixtrans-10216-170.6-165.40000115.5E127E127-S129 PolarHBondContact O-N 3.48Å
130L49.6Very low52.5Low163 Ų163119.9 Ų119.985%0.85370%0.703SS**SBendtrans-135.1-0.9171-76.7179.5000117
131N41Very low49.8Very low156 Ų156124.6 Ų124.683%0.83473%0.727SS**  trans-118.674.5175.7-69.12.2000111.1
132S46.6Very low47.4Very low116 Ų116126.5 Ų126.581%0.81174%0.741SS**  trans-116.487.9158-85.30000108.7
133V41Very low46Very low136 Ų136129.1 Ų129.182%0.82476%0.756SS**  trans-151.4123138.1-84.50000110
134S39Very low44.2Very low122 Ų122133.6 Ų133.685%0.85378%0.777SS**  trans80.7108.3145.9-58.70000120.8
135S43.8Very low43.1Very low107 Ų107135.2 Ų135.275%0.74878%0.778SS**  trans-65.3155.5156.3-55.40000113.3
136C42.9Very low42Very low112 Ų112135.7 Ų135.776%0.75778%0.776SS**  trans80.5140.3137.874.50000123.2
137T38.2Very low40.8Very low131 Ų131133.5 Ų133.580%0.80477%0.773SS**  trans79.2106.5158.257.50000120.9
138D38.3Very low40Very low145 Ų145129.1 Ų129.178%0.77577%0.767SS**  7.3120.4125.7-164.4-88000117.4
139R35.4Very low39.5Very low222 Ų222133.3 Ų133.384%0.83878%0.775SS**  174.8147114-147.5127.571.2170.73.6111.5
140S41.3Very low39Very low106 Ų106137.5 Ų137.574%0.74178%0.784SS**  trans-40.1149.6172.7-47.60000116.2
141L32.9Very low38.2Very low175 Ų175137 Ų13792%0.91678%0.782SS**  164.2121.2125.5-83171.7000110.1
142S35.8Very low38.3Very low112 Ų112136.3 Ų136.378%0.78378%0.778SS**  trans-69.9161.3156-43.10000109.1
143P49.3Very low38.4Very low114 Ų114135.2 Ų135.274%0.7477%0.768SS**  -153164.370.543.2-22.8000117.4
144D31.2Very low38.4Very low137 Ų137138.5 Ų138.573%0.73377%0.771SS**  trans70.4104.3136.9-101.4-121.7000123.1
145L37.5Very low38.1Very low118 Ų118140.6 Ų140.662%0.61877%0.768SS**  144127.4102.3-80.9-175.6000115.9
146Q36.1Very low38Very low157 Ų157142.1 Ų142.173%0.73477%0.773SS**  trans64.4138136.5-74.7156.410.800118.8
147D30.7Very low37.5Very low139 Ų139143.5 Ų143.574%0.74377%0.772SS**  cis-170.11772.8-149.6-55.2000106.8
148A34.8Very low37.2Very low84 Ų84144.1 Ų144.169%0.69477%0.771SS**  trans105.473.5162.100000118.2
149L35.8Very low37.1Very low149 Ų149141.5 Ų141.578%0.7876%0.764SS**  48.8115.3112.9-60.8171.7000120.3
150Q38.4Very low36.9Very low187 Ų187137 Ų13787%0.87476%0.761SS**  172.3106.1105.9-93.1171.611.900108.9
151D32Very low36.6Very low153 Ų153136.5 Ų136.582%0.81876%0.758SS**  79.886.591.6-155.5-100.8000112.2
152D42.7Very low36.6Very low140 Ų140133.2 Ų133.275%0.74975%0.75SS**  90.2165.394.4-133.2-121.9000112.4
153P49Very low36.7Very low94 Ų94135.5 Ų135.561%0.6175%0.753SS**  -132174.8-95.543-26.5000112.8
154K42.2Very low36.3Very low204 Ų204139.7 Ų139.789%0.88776%0.76SS**  trans-157.4107.5137-143.5173.8179.6178.80111.8
155E32.8Very low36.6Very low166 Ų166141.6 Ų141.678%0.77676%0.764SS**  trans-65.7150.6159.7-56.5-147.2133.400110.7
156T40.6Very low36.5Very low140 Ų140142.3 Ų142.386%0.85977%0.774SS**  -162.9118.3118.920.30000108.8
157D31.7Very low36.4Very low140 Ų140138.7 Ų138.775%0.74977%0.77SS**  trans-54.3149161.1-164.3-3.6000110.6
158N32.3Very low36.4Very low145 Ų145139.7 Ų139.778%0.77578%0.775SS**  177.3124.9118.5-163.825.7000110.1
159S37.3Very low36.4Very low89 Ų89141.6 Ų141.662%0.62277%0.774SS**  trans-61.5157.2164.7-630000111.3
160T31.6Very low36.5Very low128 Ų128142.4 Ų142.479%0.78577%0.774SS**  157.1143125.5-610000111.9
161S33.2Very low36.3Very low95 Ų95141.3 Ų141.366%0.66477%0.774SS**  trans-39.1153.617759.50000118.8
162S33.7Very low37.1Very low107 Ų107142.2 Ų142.275%0.74877%0.773SS**  158.9147.5103.8-80.50000113.1
163D37.1Very low37Very low159 Ų159142.5 Ų142.585%0.8577%0.77SS**  trans-44.5146.8177-59.7-88000117.4
164K41.6Very low36.8Very low203 Ų203145.8 Ų145.888%0.88378%0.778SS**  trans-161.3116.8136.1-145170.5179.1175.10112.8
165E37.7Very low36.2Very low176 Ų176143.6 Ų143.682%0.82278%0.775SS**  trans-69.4145.8160.8-59.9-168.6109.400111
166T34.4Very low36.5Very low134 Ų134140.8 Ų140.882%0.82277%0.774SS**  171.8119123.526.70000114
167A34.2Very low36.6Very low80 Ų80137.6 Ų137.666%0.66177%0.769SS**  trans41.5130.9131.900000124.5
168N32.2Very low37.1Very low160 Ų160136 Ų13686%0.85676%0.764SS**  trans70.6147139.3-65.2-15.3000119
169N33.3Very low37.9Very low125 Ų125139.3 Ų139.367%0.66877%0.772SS**  cis-171.4165.2-12.1-17521.1000105.8
170E38.7Very low38.3Very low165 Ų165145.2 Ų145.277%0.77178%0.781SS**  trans78.3104.6157.6-42.4-174.6173.400119.7
171N33.9Very low39.9Very low164 Ų164150.7 Ų150.788%0.87779%0.787SS**  -156.4117121.5-1447.1000111.4
172E48Very low41.5Very low172 Ų172148.8 Ų148.880%0.80478%0.782SS**  trans-63.5150.1152.5-73-172.797.400107.5
173E42.4Very low43.6Very low147 Ų147150.1 Ų150.169%0.68779%0.788SS**  -178.6135.568.2-173.8170.795.200109.8
174Q43Very low45.5Very low163 Ų163153.8 Ų153.876%0.76279%0.79SS**  trans52.9112.8150.1-62.7165.337.700121.5
175N29.4Very low47.6Very low157 Ų157148 Ų14884%0.8477%0.772SS**  -141.3125129.3-166.67.5000111.4
176S39.4Very low50.1Low108 Ų108145.6 Ų145.676%0.75577%0.769SS**  trans-64.5150.9-175.347.90000115.4
177G42.9Very low52.9Low72 Ų72141.4 Ų141.474%0.74274%0.741SS**  trans101.259.2145.200000118
178T42Very low55.7Low106 Ų106144.9 Ų144.965%0.6574%0.741SS**  trans-165.4129.7143.723.50000107.7R180T178-R180 PolarHBondContact O-N 3.26Å
179K49.3Very low58.6Low215 Ų215141.3 Ų141.394%0.93574%0.735SS**  trans-67.777.8173-69.3175.5-178173.80109.2R181K179-R181 PolarHBondContact O-N 3.45Å
180R46Very low61.5Low214 Ų214143.7 Ų143.781%0.80874%0.739SS**  trans-73.192.4174.3-63-167.8-173.8-157.34.8107.2T178 G182T178-R180 PolarHBondContact O-N 3.26Å; R180-G182 PolarHBondContact O-N 3.07Å; R180-G182 VanDerWaalsContact O-N 3.09Å
181R65.6Low64.2Low243 Ų243137.4 Ų137.492%0.91771%0.71SS**PPolyproline II helixtrans-53.7120.8160.1-66.5-176.4-177.1-1351.6105.5K179K179-R181 PolarHBondContact O-N 3.45Å
182G67.4Low67.1Low55 Ų55132.1 Ų132.157%0.56768%0.681SS**PPolyproline II helixtrans-54.9165.9-177.200000112.4R180 R184R180-G182 PolarHBondContact O-N 3.07Å; R180-G182 VanDerWaalsContact O-N 3.09Å; G182-R184 PolarHBondContact O-N 3.34Å
183P76.9Confident69.4Low134 Ų134130.6 Ų130.687%0.8767%0.674SS**PPolyproline II helixtrans-47.9124.6-178.8-25.332.7000111.1T185P183-T185 PolarHBondContact O-N 2.98Å
184R78.1Confident72Confident236 Ų236125.8 Ų125.889%0.89165%0.654SS**PPolyproline II helixtrans-72121.9-179.3-171.1172.6-172.9140.4-0108.6G182 T186G182-R184 PolarHBondContact O-N 3.34Å; R184-T186 PolarHBondContact O-N 2.97Å
185T85.4Confident74.6Confident82 Ų82118 Ų11850%0.50362%0.618SS.*PPolyproline II helixtrans-69.5121.8177.256.10000110.6P183 V223P183-T185 PolarHBondContact O-N 2.98Å; T185-V223 HydrophobicContact CG2-CG2 3.89Å
186T89.6Confident77.8Confident126 Ų126115.3 Ų115.377%0.77360%0.599SS**PPolyproline II helixtrans-91.7119.5172.4-58.20000109.5R184R184-T186 PolarHBondContact O-N 2.97Å
187I92.1Very high80.5Confident45 Ų45113.4 Ų113.423%0.23159%0.59CS.*PPolyproline II helixtrans-86.3121.1178.8-60.1169.5000108.4Q191 L192 L195 L219 V223 W227I187-Q191 HydrophobicContact CG2-CB 3.84Å; I187-L192 HydrophobicContact CG2-CB 4.23Å; I187-L192 HydrophobicContact CG2-CD1 4.48Å; I187-L195 HydrophobicContact CG2-CD1 4.25Å; I187-L219 HydrophobicContact CD1-CD1 4.46Å; I187-L219 HydrophobicContact CG1-CD1 4.09Å; I187-L219 HydrophobicContact CG1-CD2 4.4Å; I187-L219 HydrophobicContact CG2-CD1 4.03Å; I187-V223 HydrophobicContact CD1-CG1 4.04Å; I187-V223 HydrophobicContact CG1-CG1 4.26Å; I187-W227 VanDerWaalsContact CD1-CD1 3.46Å; I187-W227 HydrophobicContact CD1-CG 4.27Å
188K93.8Very high83.1Confident153 Ų153110.9 Ų110.967%0.66556%0.562SS**PPolyproline II helixtrans-70.4161-179.9-63.5-177.8177.6179.30111.7K190 Q191 L192K188-K190 PolarHBondContact O-N 2.94Å; K188-Q191 HydrophobicContact CB-CG 4.34Å; K188-Q191 PolarHBondContact O-N 2.82Å; K188-L192 PolarHBondContact O-N 3.5Å
189A92.6Very high85.7Confident86 Ų86107 Ų10771%0.71154%0.536SS*.Hα-helixtrans-57.5-48.7-176.800000113.4Q191 L192 E193A189-Q191 PolarHBondContact O-N 2.81Å; A189-L192 WeakPolarHBondContact O-CB 3.38Å; A189-L192 PolarHBondContact O-N 3.34Å; A189-L192 VanDerWaalsContact O-N 3.13Å; A189-E193 PolarHBondContact O-N 3.44Å
190K93.9Very high87.9Confident174 Ų174100.9 Ų100.976%0.75753%0.526SS*.Hα-helixtrans-59-43.8176.9-174.3179.3179-1790112.3K188 L192 E193 T194K188-K190 PolarHBondContact O-N 2.94Å; K190-L192 VanDerWaalsContact C-N 3.31Å; K190-L192 PolarHBondContact O-N 3.05Å; K190-E193 WeakPolarHBondContact O-CB 3.38Å; K190-E193 PolarHBondContact O-N 3.14Å; K190-T194 PolarHBondContact O-N 2.99Å; K190-T194 PolarHBondContact O-OG1 3.41Å
191Q95.4Very high90.3Very high34 Ų3494.5 Ų94.516%0.15952%0.519CS..Hα-helixtrans-63-39.8176.4-63.6169-36.400111.3I187 K188 A189 E193 T194 L195 T217 L219I187-Q191 HydrophobicContact CG2-CB 3.84Å; K188-Q191 HydrophobicContact CB-CG 4.34Å; K188-Q191 PolarHBondContact O-N 2.82Å; A189-Q191 PolarHBondContact O-N 2.81Å; Q191-E193 VanDerWaalsContact C-N 3.3Å; Q191-E193 PolarHBondContact O-N 3.18Å; Q191-T194 PolarHBondContact O-N 2.97Å; Q191-L195 VanDerWaalsContact O-CG 3.3Å; Q191-L195 WeakPolarHBondContact O-CG 3.36Å; Q191-L195 PolarHBondContact O-N 2.96Å; Q191-L195 VanDerWaalsContact O-N 3.13Å; Q191-T217 HydrophobicContact CB-CG2 4.38Å; Q191-T217 PolarHBondContact NE2-O 2.74Å; Q191-L219 HydrophobicContact CB-CD1 4.24Å
192L96.8Very high91.5Very high53 Ų5385.5 Ų85.528%0.27749%0.491SS..Hα-helixtrans-66.3-32.9178.7-170.367.9000112.3I187 K188 A189 K190 L195 K196 W227I187-L192 HydrophobicContact CG2-CB 4.23Å; I187-L192 HydrophobicContact CG2-CD1 4.48Å; K188-L192 PolarHBondContact O-N 3.5Å; A189-L192 WeakPolarHBondContact O-CB 3.38Å; A189-L192 PolarHBondContact O-N 3.34Å; A189-L192 VanDerWaalsContact O-N 3.13Å; K190-L192 VanDerWaalsContact C-N 3.31Å; K190-L192 PolarHBondContact O-N 3.05Å; L192-L195 PolarHBondContact O-N 3.36Å; L192-K196 HydrophobicContact CG-CD 4.37Å; L192-K196 WeakPolarHBondContact O-CB 3.47Å; L192-K196 VanDerWaalsContact O-CG 3.24Å; L192-K196 WeakPolarHBondContact O-CG 3.43Å; L192-K196 PolarHBondContact O-N 2.94Å; L192-W227 HydrophobicContact CD1-CZ2 3.79Å; L192-W227 VanDerWaalsContact CD1-NE1 3.26Å
193E96.1Very high92.8Very high139 Ų13985.8 Ų85.865%0.6548%0.483SS*.Hα-helixtrans-64.3-49.3175.7-169.5168.3-161.200111.5A189 K190 Q191 L195 K196 A197A189-E193 PolarHBondContact O-N 3.44Å; K190-E193 WeakPolarHBondContact O-CB 3.38Å; K190-E193 PolarHBondContact O-N 3.14Å; Q191-E193 VanDerWaalsContact C-N 3.3Å; Q191-E193 PolarHBondContact O-N 3.18Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.02Å; E193-K196 PolarHBondContact O-N 2.95Å; E193-K196 VanDerWaalsContact O-N 3.14Å; E193-A197 PolarHBondContact O-N 3.27Å
194T96.1Very high93.7Very high46 Ų4687.3 Ų87.328%0.28248%0.476SS..Hα-helixtrans-56-45.5173.7-48.20000111.7K190 Q191 K196 A197 A198 L213 T217K190-T194 PolarHBondContact O-N 2.99Å; K190-T194 PolarHBondContact O-OG1 3.41Å; Q191-T194 PolarHBondContact O-N 2.97Å; T194-K196 PolarHBondContact O-N 3.31Å; T194-A197 PolarHBondContact O-N 3.24Å; T194-A198 PolarHBondContact O-N 3.36Å; T194-L213 HydrophobicContact CG2-CD2 3.88Å; T194-T217 HydrophobicContact CG2-CG2 4.17Å
195L97.4Very high94.5Very high0 Ų076.5 Ų76.50%044%0.436CS..Hα-helixtrans-65.1-37178.5-66.6173.9000113.1I187 Q191 L192 E193 F199 L213 L219 I224 W227 F228I187-L195 HydrophobicContact CG2-CD1 4.25Å; Q191-L195 VanDerWaalsContact O-CG 3.3Å; Q191-L195 WeakPolarHBondContact O-CG 3.36Å; Q191-L195 PolarHBondContact O-N 2.96Å; Q191-L195 VanDerWaalsContact O-N 3.13Å; L192-L195 PolarHBondContact O-N 3.36Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.02Å; L195-F199 WeakPolarHBondContact O-CB 3.29Å; L195-F199 PolarHBondContact O-N 3.26Å; L195-L213 HydrophobicContact CD2-CD1 4.35Å; L195-L219 HydrophobicContact CD1-CD1 4.08Å; L195-I224 HydrophobicContact CD1-CD1 4.48Å; L195-I224 HydrophobicContact CD2-CD1 3.54Å; L195-I224 HydrophobicContact CD2-CG2 4.46Å; L195-W227 HydrophobicContact CB-CD2 4.14Å; L195-W227 HydrophobicContact CB-CE3 4.04Å; L195-W227 HydrophobicContact CB-CH2 3.65Å; L195-W227 HydrophobicContact CB-CZ2 3.73Å; L195-W227 HydrophobicContact CB-CZ3 3.81Å; L195-W227 HydrophobicContact CD1-CD2 3.91Å; L195-W227 HydrophobicContact CD1-CE3 4.42Å; L195-W227 HydrophobicContact CD1-CG 3.99Å; L195-W227 WeakPolarHBondContact O-CH2 3.29Å; L195-W227 WeakPolarHBondContact O-CZ3 3.36Å; L195-F228 HydrophobicContact CD2-CE2 4Å
196K96.6Very high95Very high101 Ų10176.5 Ų76.544%0.43944%0.436SS..Hα-helixtrans-67.7-43.2176-77.7169.9178.1173.90111.5L192 E193 T194 F199 A200 W227L192-K196 HydrophobicContact CG-CD 4.37Å; L192-K196 WeakPolarHBondContact O-CB 3.47Å; L192-K196 VanDerWaalsContact O-CG 3.24Å; L192-K196 WeakPolarHBondContact O-CG 3.43Å; L192-K196 PolarHBondContact O-N 2.94Å; E193-K196 PolarHBondContact O-N 2.95Å; E193-K196 VanDerWaalsContact O-N 3.14Å; T194-K196 PolarHBondContact O-N 3.31Å; K196-F199 PolarHBondContact O-N 3.06Å; K196-A200 PolarHBondContact O-N 3.27Å; K196-W227 HydrophobicContact CG-CH2 4.45Å; K196-W227 HydrophobicContact CG-CZ2 4.36Å
197A96.7Very high95.3Very high67 Ų6779.1 Ų79.155%0.55443%0.432SS*.Hα-helixtrans-60.2-48.1176.700000110.9E193 T194 F199 A200 A201E193-A197 PolarHBondContact O-N 3.27Å; T194-A197 PolarHBondContact O-N 3.24Å; A197-F199 VanDerWaalsContact C-N 3.33Å; A197-F199 PolarHBondContact O-N 3.5Å; A197-A200 PolarHBondContact O-N 3.19Å; A197-A201 PolarHBondContact O-N 2.85Å
198A96.8Very high95.5Very high20 Ų2083 Ų8317%0.16545%0.449CS..Hα-helixtrans-62.9-36.4176.400000113.2T194 A201 T202 L213 F228T194-A198 PolarHBondContact O-N 3.36Å; A198-A201 PolarHBondContact O-N 3.48Å; A198-T202 PolarHBondContact O-N 3.27Å; A198-L213 HydrophobicContact CB-CD1 3.78Å; A198-L213 HydrophobicContact CB-CD2 3.86Å; A198-L213 HydrophobicContact CB-CG 4.41Å; A198-F228 HydrophobicContact CB-CZ 4.19Å
199F97.3Very high95.7Very high23 Ų2378 Ų7810%0.10143%0.429CS..Hα-helixtrans-66.2-37.1175.6-174.6-89.6000113.2L195 K196 A197 A201 T202 P203 W227 F228 R231 R232L195-F199 WeakPolarHBondContact O-CB 3.29Å; L195-F199 PolarHBondContact O-N 3.26Å; K196-F199 PolarHBondContact O-N 3.06Å; A197-F199 VanDerWaalsContact C-N 3.33Å; A197-F199 PolarHBondContact O-N 3.5Å; F199-A201 VanDerWaalsContact C-N 3.3Å; F199-T202 CarbonylContact O-C 3.57Å; F199-P203 HydrophobicContact CD2-CB 4.34Å; F199-P203 HydrophobicContact CE1-CB 4.31Å; F199-P203 HydrophobicContact CE2-CB 3.82Å; F199-P203 HydrophobicContact CZ-CB 3.8Å; F199-W227 HydrophobicContact CB-CH2 4.16Å; F199-W227 HydrophobicContact CB-CZ3 4.07Å; F199-W227 HydrophobicContact CD2-CZ3 4.26Å; F199-W227 HydrophobicContact CG-CZ3 4.46Å; F199-F228 HydrophobicContact CB-CE1 3.87Å; F199-F228 HydrophobicContact CB-CZ 4.41Å; F199-F228 AromaticContact CD2-CD1 3.64Å; F199-F228 HydrophobicContact CD2-CD1 3.64Å; F199-F228 AromaticContact CD2-CE1 3.71Å; F199-F228 HydrophobicContact CD2-CE1 3.71Å; F199-F228 HydrophobicContact CE2-CD1 4.37Å; F199-F228 HydrophobicContact CG-CE1 4.29Å; F199-R231 HydrophobicContact CD1-CG 4.14Å; F199-R231 HydrophobicContact CD2-CB 4.22Å; F199-R231 HydrophobicContact CD2-CG 3.58Å; F199-R231 HydrophobicContact CE1-CG 4.02Å; F199-R231 HydrophobicContact CE2-CB 3.99Å; F199-R231 HydrophobicContact CE2-CG 3.46Å; F199-R231 VanDerWaalsContact CE2-CG 3.46Å; F199-R231 HydrophobicContact CG-CG 3.94Å; F199-R231 HydrophobicContact CZ-CG 3.7Å; F199-R232 HydrophobicContact CE2-CG 3.74Å; F199-R232 HydrophobicContact CZ-CG 4.14Å
200A95.7Very high95.9Very high87 Ų8776.7 Ų76.772%0.71941%0.406SS*.Hα-helixtrans-64.7-36.8175.400000111.4K196 A197K196-A200 PolarHBondContact O-N 3.27Å; A197-A200 PolarHBondContact O-N 3.19Å
201A95.6Very high96.1Very high81 Ų8171.3 Ų71.367%0.66938%0.383SS*.Hα-helixtrans-71.3-53174.700000112.2A197 A198 F199A197-A201 PolarHBondContact O-N 2.85Å; A198-A201 PolarHBondContact O-N 3.48Å; F199-A201 VanDerWaalsContact C-N 3.3Å
202T92.2Very high96.1Very high53 Ų5373.8 Ų73.833%0.32540%0.395SS..  trans-140.2110.2178.663.60000111.8A198 F199 K204A198-T202 PolarHBondContact O-N 3.27Å; F199-T202 CarbonylContact O-C 3.57Å; T202-K204 PolarHBondContact O-N 3.43Å
203P93.7Very high96.2Very high62 Ų6271.7 Ų71.740%0.40338%0.384SS..SBendtrans-70.4-16.3-178.525.9-33.9000113.2F199 R232F199-P203 HydrophobicContact CD2-CB 4.34Å; F199-P203 HydrophobicContact CE1-CB 4.31Å; F199-P203 HydrophobicContact CE2-CB 3.82Å; F199-P203 HydrophobicContact CZ-CB 3.8Å; P203-R232 VanDerWaalsContact O-CD 3.29Å; P203-R232 WeakPolarHBondContact O-CD 3.41Å; P203-R232 PolarHBondContact O-NH1 3.39Å
204K94.9Very high96.2Very high165 Ų16565.9 Ų65.972%0.71736%0.359SS*.SBendtrans-122.675.7174-68.3-177.9179.9177.60109.5T202T202-K204 PolarHBondContact O-N 3.43Å
205P95Very high96.3Very high10 Ų1071.3 Ų71.37%0.06538%0.382CS..  trans-65.1142.8-177.328.6-37.3000111.4I209 R210 F228P205-I209 HydrophobicContact CB-CB 4.02Å; P205-I209 HydrophobicContact CB-CG2 3.69Å; P205-R210 HydrophobicContact CB-CG 4.07Å; P205-R210 HydrophobicContact CG-CG 3.77Å; P205-R210 PolarHBondContact O-NE 3.45Å; P205-F228 HydrophobicContact CB-CE1 4.42Å; P205-F228 HydrophobicContact CG-CD1 3.54Å; P205-F228 HydrophobicContact CG-CD2 3.99Å; P205-F228 HydrophobicContact CG-CE1 3.54Å; P205-F228 HydrophobicContact CG-CE2 4.01Å; P205-F228 HydrophobicContact CG-CG 3.78Å; P205-F228 HydrophobicContact CG-CZ 3.8Å
206T96.9Very high96.1Very high82 Ų8276.8 Ų76.850%0.50341%0.407SS..  trans-65.6171.8175.4620000111.1H208 I209 R210T206-H208 VanDerWaalsContact C-N 3.33Å; T206-H208 PolarHBondContact O-N 3.45Å; T206-I209 WeakPolarHBondContact OG1-CD1 3.34Å; T206-I209 WeakPolarHBondContact OG1-CG1 3.36Å; T206-I209 PolarHBondContact OG1-N 2.93Å; T206-R210 WeakPolarHBondContact O-CG 3.47Å; T206-R210 PolarHBondContact O-N 3.39Å; T206-R210 VanDerWaalsContact O-N 3.15Å; T206-R210 PolarHBondContact O-NE 3.43Å
207R95.8Very high96.1Very high180 Ų18072.5 Ų72.568%0.67939%0.389SS*.Hα-helixtrans-57.7-47.8176.2178.2179.9170-177.8-2.9111.2I209 R210 E211R207-I209 PolarHBondContact O-N 3.5Å; R207-R210 WeakPolarHBondContact O-CB 3.25Å; R207-R210 PolarHBondContact O-N 3.12Å; R207-R210 VanDerWaalsContact O-N 3.12Å; R207-E211 WeakPolarHBondContact CG-OE1 3.31Å; R207-E211 IonicContact CZ-OE1 3.27Å; R207-E211 IonicContact NE-OE1 3.87Å; R207-E211 PolarHBondContact NE-OE1 3.1Å; R207-E211 IonicContact NH2-OE1 2.77Å; R207-E211 PolarHBondContact NH2-OE1 3.19Å; R207-E211 PolarHBondContact O-N 2.83Å
208H97.3Very high96Very high127 Ų12772.4 Ų72.459%0.58840%0.395SS*.Hα-helixtrans-58.8-46.9-179.7-177.264.6000112.6T206 R210 E211 Q212T206-H208 VanDerWaalsContact C-N 3.33Å; T206-H208 PolarHBondContact O-N 3.45Å; H208-R210 VanDerWaalsContact C-N 3.27Å; H208-R210 PolarHBondContact O-N 3.42Å; H208-E211 WeakPolarHBondContact O-CB 3.4Å; H208-E211 PolarHBondContact O-N 3.15Å; H208-Q212 PolarHBondContact O-N 2.79Å
209I96.7Very high95.9Very high49 Ų4972.4 Ų72.425%0.25139%0.392SS..Hα-helixtrans-61.3-38.4177.3-64.2168.6000110.9P205 T206 R207 E211 Q212 L213P205-I209 HydrophobicContact CB-CB 4.02Å; P205-I209 HydrophobicContact CB-CG2 3.69Å; T206-I209 WeakPolarHBondContact OG1-CD1 3.34Å; T206-I209 WeakPolarHBondContact OG1-CG1 3.36Å; T206-I209 PolarHBondContact OG1-N 2.93Å; R207-I209 PolarHBondContact O-N 3.5Å; I209-E211 VanDerWaalsContact C-N 3.34Å; I209-Q212 PolarHBondContact O-N 3.39Å; I209-L213 HydrophobicContact CG2-CD1 4.08Å; I209-L213 HydrophobicContact CG2-CG 4.47Å; I209-L213 WeakPolarHBondContact O-CB 3.06Å; I209-L213 VanDerWaalsContact O-CG 3.24Å; I209-L213 WeakPolarHBondContact O-CG 3.48Å; I209-L213 PolarHBondContact O-N 2.89Å
210R97.3Very high95.8Very high58 Ų5876.4 Ų76.422%0.21942%0.415CS..Hα-helixtrans-68-33.4176-71.5-176.1-80.2155.1-4.5112.6P205 T206 R207 H208 A214 M221 I224P205-R210 HydrophobicContact CB-CG 4.07Å; P205-R210 HydrophobicContact CG-CG 3.77Å; P205-R210 PolarHBondContact O-NE 3.45Å; T206-R210 WeakPolarHBondContact O-CG 3.47Å; T206-R210 PolarHBondContact O-N 3.39Å; T206-R210 VanDerWaalsContact O-N 3.15Å; T206-R210 PolarHBondContact O-NE 3.43Å; R207-R210 WeakPolarHBondContact O-CB 3.25Å; R207-R210 PolarHBondContact O-N 3.12Å; R207-R210 VanDerWaalsContact O-N 3.12Å; H208-R210 VanDerWaalsContact C-N 3.27Å; H208-R210 PolarHBondContact O-N 3.42Å; R210-A214 WeakPolarHBondContact O-CB 3.32Å; R210-A214 PolarHBondContact O-N 3.38Å; R210-M221 HydrophobicContact CB-CE 4.34Å; R210-M221 HydrophobicContact CB-SD 3.86Å; R210-I224 HydrophobicContact CB-CG2 4.15Å; R210-I224 HydrophobicContact CG-CG2 4.03Å
211E97.3Very high95.8Very high60 Ų6075.1 Ų75.128%0.2840%0.395SS..Hα-helixtrans-67.3-45.9175.4-73.9169175.900110.7R207 H208 I209 L213 A214 Q215 M221R207-E211 WeakPolarHBondContact CG-OE1 3.31Å; R207-E211 IonicContact CZ-OE1 3.27Å; R207-E211 IonicContact NE-OE1 3.87Å; R207-E211 PolarHBondContact NE-OE1 3.1Å; R207-E211 IonicContact NH2-OE1 2.77Å; R207-E211 PolarHBondContact NH2-OE1 3.19Å; R207-E211 PolarHBondContact O-N 2.83Å; H208-E211 WeakPolarHBondContact O-CB 3.4Å; H208-E211 PolarHBondContact O-N 3.15Å; I209-E211 VanDerWaalsContact C-N 3.34Å; E211-L213 PolarHBondContact O-N 3.31Å; E211-A214 WeakPolarHBondContact O-CB 3.48Å; E211-A214 PolarHBondContact O-N 3.5Å; E211-Q215 WeakPolarHBondContact O-CG 3.42Å; E211-Q215 PolarHBondContact O-N 3.44Å; E211-M221 VanDerWaalsContact CA-CE 3.4Å; E211-M221 HydrophobicContact CB-CE 3.94Å; E211-M221 HydrophobicContact CG-CE 3.29Å
212Q96.7Very high95.7Very high87 Ų8780 Ų8041%0.40740%0.396SS..Hα-helixtrans-58.6-47.6173.1-176.8178.9-300111.7H208 I209 A214 Q215 E216H208-Q212 PolarHBondContact O-N 2.79Å; I209-Q212 PolarHBondContact O-N 3.39Å; Q212-A214 VanDerWaalsContact C-N 3.3Å; Q212-A214 PolarHBondContact O-N 3.36Å; Q212-Q215 PolarHBondContact O-N 3.08Å; Q212-Q215 VanDerWaalsContact O-N 3.16Å; Q212-E216 HydrophobicContact CG-CG 4.37Å; Q212-E216 VanDerWaalsContact CG-OE1 3.29Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.34Å; Q212-E216 PolarHBondContact NE2-OE1 2.89Å; Q212-E216 WeakPolarHBondContact O-CG 3.19Å; Q212-E216 PolarHBondContact O-N 3Å
213L97.4Very high95.9Very high9 Ų978.6 Ų78.65%0.04739%0.387CS..Hα-helixtrans-63.1-35.2177.8-71.3170.9000112.8T194 L195 A198 I209 E211 T217 I224 F228T194-L213 HydrophobicContact CG2-CD2 3.88Å; L195-L213 HydrophobicContact CD2-CD1 4.35Å; A198-L213 HydrophobicContact CB-CD1 3.78Å; A198-L213 HydrophobicContact CB-CD2 3.86Å; A198-L213 HydrophobicContact CB-CG 4.41Å; I209-L213 HydrophobicContact CG2-CD1 4.08Å; I209-L213 HydrophobicContact CG2-CG 4.47Å; I209-L213 WeakPolarHBondContact O-CB 3.06Å; I209-L213 VanDerWaalsContact O-CG 3.24Å; I209-L213 WeakPolarHBondContact O-CG 3.48Å; I209-L213 PolarHBondContact O-N 2.89Å; E211-L213 PolarHBondContact O-N 3.31Å; L213-T217 VanDerWaalsContact O-CB 3.28Å; L213-T217 WeakPolarHBondContact O-CB 3.48Å; L213-T217 VanDerWaalsContact O-CG2 3.31Å; L213-T217 WeakPolarHBondContact O-CG2 3.23Å; L213-T217 PolarHBondContact O-N 3.01Å; L213-T217 PolarHBondContact O-OG1 3.33Å; L213-I224 HydrophobicContact CB-CD1 4.3Å; L213-I224 HydrophobicContact CB-CG2 4.32Å; L213-I224 HydrophobicContact CD1-CG2 4.5Å; L213-F228 HydrophobicContact CD1-CE2 3.79Å; L213-F228 HydrophobicContact CD1-CZ 3.95Å
214A97.6Very high96Very high16 Ų1675.6 Ų75.613%0.13237%0.368CS..Hα-helixtrans-64.5-41.9175.400000111.2R210 E211 Q212 G218 L219 M221 I224R210-A214 WeakPolarHBondContact O-CB 3.32Å; R210-A214 PolarHBondContact O-N 3.38Å; E211-A214 WeakPolarHBondContact O-CB 3.48Å; E211-A214 PolarHBondContact O-N 3.5Å; Q212-A214 VanDerWaalsContact C-N 3.3Å; Q212-A214 PolarHBondContact O-N 3.36Å; A214-G218 VanDerWaalsContact O-CA 3.31Å; A214-G218 WeakPolarHBondContact O-CA 3.37Å; A214-G218 PolarHBondContact O-N 2.97Å; A214-L219 WeakPolarHBondContact CA-O 3.47Å; A214-L219 WeakPolarHBondContact CB-O 3.37Å; A214-L219 PolarHBondContact O-N 2.89Å; A214-M221 HydrophobicContact CB-CE 4.1Å; A214-I224 HydrophobicContact CB-CG1 4.2Å
215Q96.7Very high96.1Very high161 Ų16171.4 Ų71.475%0.75235%0.351SS*.Hα-helixtrans-66.2-48.3176.3-68.5171.4-3.100111.8E211 Q212E211-Q215 WeakPolarHBondContact O-CG 3.42Å; E211-Q215 PolarHBondContact O-N 3.44Å; Q212-Q215 PolarHBondContact O-N 3.08Å; Q212-Q215 VanDerWaalsContact O-N 3.16Å
216E94.9Very high96.2Very high115 Ų11573.8 Ų73.854%0.53737%0.365SS..Hα-helixtrans-68.1-37.5-178.1-71.4176.2-173.800113.1Q212Q212-E216 HydrophobicContact CG-CG 4.37Å; Q212-E216 VanDerWaalsContact CG-OE1 3.29Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.34Å; Q212-E216 PolarHBondContact NE2-OE1 2.89Å; Q212-E216 WeakPolarHBondContact O-CG 3.19Å; Q212-E216 PolarHBondContact O-N 3Å
217T95Very high96.1Very high10 Ų1071.3 Ų71.36%0.06135%0.347CS..Hα-helixtrans-89.5-15.8-178.964.60000113.1Q191 T194 L213 L219Q191-T217 HydrophobicContact CB-CG2 4.38Å; Q191-T217 PolarHBondContact NE2-O 2.74Å; T194-T217 HydrophobicContact CG2-CG2 4.17Å; L213-T217 VanDerWaalsContact O-CB 3.28Å; L213-T217 WeakPolarHBondContact O-CB 3.48Å; L213-T217 VanDerWaalsContact O-CG2 3.31Å; L213-T217 WeakPolarHBondContact O-CG2 3.23Å; L213-T217 PolarHBondContact O-N 3.01Å; L213-T217 PolarHBondContact O-OG1 3.33Å; T217-L219 PolarHBondContact O-N 3.31Å; T217-L219 WeakPolarHBondContact OG1-CB 3.24Å; T217-L219 WeakPolarHBondContact OG1-CG 3.41Å; T217-L219 PolarHBondContact OG1-N 3.27Å
218G95.3Very high96.2Very high66 Ų6662.9 Ų62.968%0.6832%0.315SS*.THydrogen-bonded Turntrans65.618-171.300000113.6A214A214-G218 VanDerWaalsContact O-CA 3.31Å; A214-G218 WeakPolarHBondContact O-CA 3.37Å; A214-G218 PolarHBondContact O-N 2.97Å
219L95.3Very high96.2Very high19 Ų1961.1 Ų61.110%0.09931%0.307CS..  trans-93.6144.5177.8-62.8173000110.2I187 Q191 L195 A214 T217 M221 I224I187-L219 HydrophobicContact CD1-CD1 4.46Å; I187-L219 HydrophobicContact CG1-CD1 4.09Å; I187-L219 HydrophobicContact CG1-CD2 4.4Å; I187-L219 HydrophobicContact CG2-CD1 4.03Å; Q191-L219 HydrophobicContact CB-CD1 4.24Å; L195-L219 HydrophobicContact CD1-CD1 4.08Å; A214-L219 WeakPolarHBondContact CA-O 3.47Å; A214-L219 WeakPolarHBondContact CB-O 3.37Å; A214-L219 PolarHBondContact O-N 2.89Å; T217-L219 PolarHBondContact O-N 3.31Å; T217-L219 WeakPolarHBondContact OG1-CB 3.24Å; T217-L219 WeakPolarHBondContact OG1-CG 3.41Å; T217-L219 PolarHBondContact OG1-N 3.27Å; L219-M221 PolarHBondContact O-N 3.22Å; L219-I224 HydrophobicContact CB-CD1 3.92Å; L219-I224 HydrophobicContact CB-CG1 4.27Å; L219-I224 HydrophobicContact CD1-CD1 4.01Å
220N95.1Very high96.2Very high107 Ų10763.6 Ų63.657%0.57232%0.32SS*.  trans-58.5138.6175.5-173.6-46.5000110.9R222 V223 I224N220-R222 PolarHBondContact O-N 3.28Å; N220-R222 VanDerWaalsContact O-N 3.08Å; N220-R222 PolarHBondContact OD1-N 3.2Å; N220-V223 HydrophobicContact CB-CG2 4.04Å; N220-V223 WeakPolarHBondContact O-CA 3.41Å; N220-V223 VanDerWaalsContact O-CB 3.28Å; N220-V223 WeakPolarHBondContact O-CB 3.3Å; N220-V223 PolarHBondContact O-N 2.8Å; N220-I224 PolarHBondContact O-N 3.46Å; N220-I224 VanDerWaalsContact O-N 3.16Å
221M94.8Very high96.1Very high60 Ų6065.5 Ų65.530%0.29633%0.328SS..Hα-helixtrans-43.5-43.6175.8176.454.161.300113.5R210 E211 A214 L219 V223 I224 Q225R210-M221 HydrophobicContact CB-CE 4.34Å; R210-M221 HydrophobicContact CB-SD 3.86Å; E211-M221 VanDerWaalsContact CA-CE 3.4Å; E211-M221 HydrophobicContact CB-CE 3.94Å; E211-M221 HydrophobicContact CG-CE 3.29Å; A214-M221 HydrophobicContact CB-CE 4.1Å; L219-M221 PolarHBondContact O-N 3.22Å; M221-V223 VanDerWaalsContact C-N 3.31Å; M221-V223 PolarHBondContact O-N 3.41Å; M221-I224 PolarHBondContact O-N 3.01Å; M221-Q225 PolarHBondContact O-N 3.38Å
222R94.3Very high96Very high183 Ų18366.2 Ų66.269%0.69133%0.328SS*.Hα-helixtrans-64.8-36178.9-177.7176.1-80.3140.9-5.6111.8N220 Q225 V226N220-R222 PolarHBondContact O-N 3.28Å; N220-R222 VanDerWaalsContact O-N 3.08Å; N220-R222 PolarHBondContact OD1-N 3.2Å; R222-Q225 PolarHBondContact O-N 3.39Å; R222-V226 HydrophobicContact CG-CG2 4.38Å; R222-V226 WeakPolarHBondContact O-CB 3.27Å; R222-V226 VanDerWaalsContact O-CG2 3.23Å; R222-V226 WeakPolarHBondContact O-CG2 3.45Å; R222-V226 PolarHBondContact O-N 3.24Å
223V95.7Very high95.9Very high24 Ų2465.5 Ų65.515%0.14533%0.333CS..Hα-helixtrans-66.4-44.3177.1178.80000110.3T185 I187 N220 M221 Q225 V226 W227T185-V223 HydrophobicContact CG2-CG2 3.89Å; I187-V223 HydrophobicContact CD1-CG1 4.04Å; I187-V223 HydrophobicContact CG1-CG1 4.26Å; N220-V223 HydrophobicContact CB-CG2 4.04Å; N220-V223 WeakPolarHBondContact O-CA 3.41Å; N220-V223 VanDerWaalsContact O-CB 3.28Å; N220-V223 WeakPolarHBondContact O-CB 3.3Å; N220-V223 PolarHBondContact O-N 2.8Å; M221-V223 VanDerWaalsContact C-N 3.31Å; M221-V223 PolarHBondContact O-N 3.41Å; V223-Q225 PolarHBondContact O-N 2.88Å; V223-V226 PolarHBondContact O-N 3.17Å; V223-W227 VanDerWaalsContact O-CB 3.29Å; V223-W227 WeakPolarHBondContact O-CB 3.42Å; V223-W227 PolarHBondContact O-N 2.84Å
224I96.7Very high95.7Very high0 Ų071.4 Ų71.40%036%0.358CS..Hα-helixtrans-58.3-49.6174.4-57.9-69.9000110.3L195 R210 L213 A214 L219 N220 M221 V226 W227 F228L195-I224 HydrophobicContact CD1-CD1 4.48Å; L195-I224 HydrophobicContact CD2-CD1 3.54Å; L195-I224 HydrophobicContact CD2-CG2 4.46Å; R210-I224 HydrophobicContact CB-CG2 4.15Å; R210-I224 HydrophobicContact CG-CG2 4.03Å; L213-I224 HydrophobicContact CB-CD1 4.3Å; L213-I224 HydrophobicContact CB-CG2 4.32Å; L213-I224 HydrophobicContact CD1-CG2 4.5Å; A214-I224 HydrophobicContact CB-CG1 4.2Å; L219-I224 HydrophobicContact CB-CD1 3.92Å; L219-I224 HydrophobicContact CB-CG1 4.27Å; L219-I224 HydrophobicContact CD1-CD1 4.01Å; N220-I224 PolarHBondContact O-N 3.46Å; N220-I224 VanDerWaalsContact O-N 3.16Å; M221-I224 PolarHBondContact O-N 3.01Å; I224-V226 PolarHBondContact O-N 3.48Å; I224-W227 PolarHBondContact O-N 3.34Å; I224-F228 HydrophobicContact CG2-CD2 4.04Å; I224-F228 HydrophobicContact CG2-CE2 4.1Å; I224-F228 WeakPolarHBondContact O-CD2 3.42Å; I224-F228 PolarHBondContact O-N 3.02Å; I224-F228 VanDerWaalsContact O-N 3.08Å
225Q96.3Very high95.4Very high76 Ų7674 Ų7436%0.35537%0.367SS..Hα-helixtrans-57.9-49.5178.6-179.4178.46.900112.3M221 R222 V223 W227 F228 Q229M221-Q225 PolarHBondContact O-N 3.38Å; R222-Q225 PolarHBondContact O-N 3.39Å; V223-Q225 PolarHBondContact O-N 2.88Å; Q225-W227 VanDerWaalsContact C-N 3.32Å; Q225-W227 PolarHBondContact O-N 3.25Å; Q225-F228 PolarHBondContact O-N 3.31Å; Q225-Q229 WeakPolarHBondContact O-CG 3.45Å; Q225-Q229 PolarHBondContact O-N 2.92Å
226V96.3Very high95.1Very high61 Ų6174.6 Ų74.637%0.3736%0.362SS..Hα-helixtrans-64.6-37.8179.5170.40000111R222 V223 I224 Q229 N230R222-V226 HydrophobicContact CG-CG2 4.38Å; R222-V226 WeakPolarHBondContact O-CB 3.27Å; R222-V226 VanDerWaalsContact O-CG2 3.23Å; R222-V226 WeakPolarHBondContact O-CG2 3.45Å; R222-V226 PolarHBondContact O-N 3.24Å; V223-V226 PolarHBondContact O-N 3.17Å; I224-V226 PolarHBondContact O-N 3.48Å; V226-Q229 PolarHBondContact O-N 2.97Å; V226-N230 WeakPolarHBondContact CG1-ND2 3.48Å; V226-N230 WeakPolarHBondContact O-CB 3.09Å; V226-N230 VanDerWaalsContact O-CG 3.31Å; V226-N230 PolarHBondContact O-N 3.19Å; V226-N230 PolarHBondContact O-ND2 3.46Å
227W96.4Very high94.8Very high30 Ų3077.6 Ų77.611%0.11437%0.369CS..Hα-helixtrans-60.5-48.8176.8-174.395.6000111.5I187 L192 L195 K196 F199 V223 I224 Q225 Q229 N230 R231I187-W227 VanDerWaalsContact CD1-CD1 3.46Å; I187-W227 HydrophobicContact CD1-CG 4.27Å; L192-W227 HydrophobicContact CD1-CZ2 3.79Å; L192-W227 VanDerWaalsContact CD1-NE1 3.26Å; L195-W227 HydrophobicContact CB-CD2 4.14Å; L195-W227 HydrophobicContact CB-CE3 4.04Å; L195-W227 HydrophobicContact CB-CH2 3.65Å; L195-W227 HydrophobicContact CB-CZ2 3.73Å; L195-W227 HydrophobicContact CB-CZ3 3.81Å; L195-W227 HydrophobicContact CD1-CD2 3.91Å; L195-W227 HydrophobicContact CD1-CE3 4.42Å; L195-W227 HydrophobicContact CD1-CG 3.99Å; L195-W227 WeakPolarHBondContact O-CH2 3.29Å; L195-W227 WeakPolarHBondContact O-CZ3 3.36Å; K196-W227 HydrophobicContact CG-CH2 4.45Å; K196-W227 HydrophobicContact CG-CZ2 4.36Å; F199-W227 HydrophobicContact CB-CH2 4.16Å; F199-W227 HydrophobicContact CB-CZ3 4.07Å; F199-W227 HydrophobicContact CD2-CZ3 4.26Å; F199-W227 HydrophobicContact CG-CZ3 4.46Å; V223-W227 VanDerWaalsContact O-CB 3.29Å; V223-W227 WeakPolarHBondContact O-CB 3.42Å; V223-W227 PolarHBondContact O-N 2.84Å; I224-W227 PolarHBondContact O-N 3.34Å; Q225-W227 VanDerWaalsContact C-N 3.32Å; Q225-W227 PolarHBondContact O-N 3.25Å; W227-Q229 VanDerWaalsContact C-N 3.34Å; W227-Q229 PolarHBondContact O-N 2.88Å; W227-N230 PolarHBondContact O-N 2.99Å; W227-R231 HydrophobicContact CE3-CB 4.28Å; W227-R231 HydrophobicContact CH2-CB 4.41Å; W227-R231 HydrophobicContact CH2-CG 4.03Å; W227-R231 HydrophobicContact CZ3-CB 4.16Å; W227-R231 HydrophobicContact CZ3-CG 4.13Å; W227-R231 VanDerWaalsContact O-CB 3.25Å; W227-R231 WeakPolarHBondContact O-CB 3.44Å; W227-R231 PolarHBondContact O-N 2.87Å
228F97.6Very high94.2Very high2 Ų282.2 Ų82.21%0.00939%0.391CS..Hα-helixtrans-65.2-36178.2-87.6-90.1000112.5L195 A198 F199 P205 L213 I224 Q225 R232L195-F228 HydrophobicContact CD2-CE2 4Å; A198-F228 HydrophobicContact CB-CZ 4.19Å; F199-F228 HydrophobicContact CB-CE1 3.87Å; F199-F228 HydrophobicContact CB-CZ 4.41Å; F199-F228 AromaticContact CD2-CD1 3.64Å; F199-F228 HydrophobicContact CD2-CD1 3.64Å; F199-F228 AromaticContact CD2-CE1 3.71Å; F199-F228 HydrophobicContact CD2-CE1 3.71Å; F199-F228 HydrophobicContact CE2-CD1 4.37Å; F199-F228 HydrophobicContact CG-CE1 4.29Å; P205-F228 HydrophobicContact CB-CE1 4.42Å; P205-F228 HydrophobicContact CG-CD1 3.54Å; P205-F228 HydrophobicContact CG-CD2 3.99Å; P205-F228 HydrophobicContact CG-CE1 3.54Å; P205-F228 HydrophobicContact CG-CE2 4.01Å; P205-F228 HydrophobicContact CG-CG 3.78Å; P205-F228 HydrophobicContact CG-CZ 3.8Å; L213-F228 HydrophobicContact CD1-CE2 3.79Å; L213-F228 HydrophobicContact CD1-CZ 3.95Å; I224-F228 HydrophobicContact CG2-CD2 4.04Å; I224-F228 HydrophobicContact CG2-CE2 4.1Å; I224-F228 WeakPolarHBondContact O-CD2 3.42Å; I224-F228 PolarHBondContact O-N 3.02Å; I224-F228 VanDerWaalsContact O-N 3.08Å; Q225-F228 PolarHBondContact O-N 3.31Å; F228-R232 WeakPolarHBondContact O-CG 3.47Å; F228-R232 PolarHBondContact O-N 2.82Å; F228-R232 VanDerWaalsContact O-N 3.08Å
229Q96.2Very high93.7Very high90 Ų9085.3 Ų85.342%0.42139%0.386SS..Hα-helixtrans-63.1-49.8173.3-73174.56.600111.6Q225 V226 W227 R231 R232 S233Q225-Q229 WeakPolarHBondContact O-CG 3.45Å; Q225-Q229 PolarHBondContact O-N 2.92Å; V226-Q229 PolarHBondContact O-N 2.97Å; W227-Q229 VanDerWaalsContact C-N 3.34Å; W227-Q229 PolarHBondContact O-N 2.88Å; Q229-R231 VanDerWaalsContact C-N 3.33Å; Q229-R231 PolarHBondContact O-N 3.26Å; Q229-R232 PolarHBondContact O-N 2.97Å; Q229-S233 WeakPolarHBondContact O-CB 3.37Å; Q229-S233 PolarHBondContact O-N 3.32Å
230N96.6Very high92.9Very high101 Ų10190 Ų9054%0.5441%0.407SS..Hα-helixtrans-64.2-38.7178.8-73.5-17.4000111.8V226 W227 S233 K234V226-N230 WeakPolarHBondContact CG1-ND2 3.48Å; V226-N230 WeakPolarHBondContact O-CB 3.09Å; V226-N230 VanDerWaalsContact O-CG 3.31Å; V226-N230 PolarHBondContact O-N 3.19Å; V226-N230 PolarHBondContact O-ND2 3.46Å; W227-N230 PolarHBondContact O-N 2.99Å; N230-S233 PolarHBondContact O-N 3.45Å; N230-K234 WeakPolarHBondContact O-CB 3.47Å; N230-K234 PolarHBondContact O-N 2.89Å
231R95.5Very high92Very high99 Ų9989.8 Ų89.837%0.37441%0.405SS..Hα-helixtrans-61.6-49.4177.3-174.266.7179.6-1802.5111.4F199 W227 Q229 K234 E235F199-R231 HydrophobicContact CD1-CG 4.14Å; F199-R231 HydrophobicContact CD2-CB 4.22Å; F199-R231 HydrophobicContact CD2-CG 3.58Å; F199-R231 HydrophobicContact CE1-CG 4.02Å; F199-R231 HydrophobicContact CE2-CB 3.99Å; F199-R231 HydrophobicContact CE2-CG 3.46Å; F199-R231 VanDerWaalsContact CE2-CG 3.46Å; F199-R231 HydrophobicContact CG-CG 3.94Å; F199-R231 HydrophobicContact CZ-CG 3.7Å; W227-R231 HydrophobicContact CE3-CB 4.28Å; W227-R231 HydrophobicContact CH2-CB 4.41Å; W227-R231 HydrophobicContact CH2-CG 4.03Å; W227-R231 HydrophobicContact CZ3-CB 4.16Å; W227-R231 HydrophobicContact CZ3-CG 4.13Å; W227-R231 VanDerWaalsContact O-CB 3.25Å; W227-R231 WeakPolarHBondContact O-CB 3.44Å; W227-R231 PolarHBondContact O-N 2.87Å; Q229-R231 VanDerWaalsContact C-N 3.33Å; Q229-R231 PolarHBondContact O-N 3.26Å; R231-K234 PolarHBondContact O-N 3.47Å; R231-E235 PolarHBondContact O-N 2.88Å
232R95.8Very high91.3Very high74 Ų7491 Ų9128%0.27942%0.42SS..Hα-helixtrans-63.8-39.8175.1-70.9-167.2-61.1-86.3-2.1112.7F199 P203 F228 Q229 E235 R236F199-R232 HydrophobicContact CE2-CG 3.74Å; F199-R232 HydrophobicContact CZ-CG 4.14Å; P203-R232 VanDerWaalsContact O-CD 3.29Å; P203-R232 WeakPolarHBondContact O-CD 3.41Å; P203-R232 PolarHBondContact O-NH1 3.39Å; F228-R232 WeakPolarHBondContact O-CG 3.47Å; F228-R232 PolarHBondContact O-N 2.82Å; F228-R232 VanDerWaalsContact O-N 3.08Å; Q229-R232 PolarHBondContact O-N 2.97Å; R232-E235 PolarHBondContact O-N 2.99Å; R232-R236 PolarHBondContact O-N 3.27Å
233S94.3Very high90.2Very high73 Ų7385.7 Ų85.751%0.5142%0.416SS..Hα-helixtrans-61.3-45.4177.3-175.20000111.3Q229 N230 R236 R237Q229-S233 WeakPolarHBondContact O-CB 3.37Å; Q229-S233 PolarHBondContact O-N 3.32Å; N230-S233 PolarHBondContact O-N 3.45Å; S233-R236 PolarHBondContact O-N 2.97Å; S233-R237 PolarHBondContact O-N 3.36Å
234K92.6Very high88.7Confident132 Ų13290.4 Ų90.457%0.57444%0.439SS*.Hα-helixtrans-61.3-45.1174.8-172.4174.3-178.3176.40111.4N230 R231 R236 R237 M238N230-K234 WeakPolarHBondContact O-CB 3.47Å; N230-K234 PolarHBondContact O-N 2.89Å; R231-K234 PolarHBondContact O-N 3.47Å; K234-R236 PolarHBondContact O-N 2.71Å; K234-R237 PolarHBondContact O-N 2.93Å; K234-M238 HydrophobicContact CG-CG 4.34Å; K234-M238 VanDerWaalsContact O-CG 3.27Å; K234-M238 WeakPolarHBondContact O-CG 3.2Å; K234-M238 PolarHBondContact O-N 3.27Å
235E91.9Very high86.8Confident71 Ų7191.5 Ų91.533%0.33245%0.451SS..Hα-helixtrans-59.9-45.1178.1-168.8-170177.900112.2R231 R232 R237 M238 K239R231-E235 PolarHBondContact O-N 2.88Å; R232-E235 PolarHBondContact O-N 2.99Å; E235-R237 PolarHBondContact O-N 3.43Å; E235-M238 PolarHBondContact O-N 3.47Å; E235-K239 HydrophobicContact CG-CD 4.3Å; E235-K239 WeakPolarHBondContact O-CB 3.4Å; E235-K239 WeakPolarHBondContact O-CG 3.49Å; E235-K239 PolarHBondContact O-N 3.15Å; E235-K239 WeakPolarHBondContact OE1-CE 3.29Å; E235-K239 IonicContact OE1-NZ 3.3Å; E235-K239 PolarHBondContact OE1-NZ 2.8Å
236R91.2Very high84.7Confident173 Ų17391.8 Ų91.865%0.65347%0.466SS*.Hα-helixtrans-61-44.2176.4-172.6-176.6-69.3155-6.3111.6R232 S233 K234 K239 Q240R232-R236 PolarHBondContact O-N 3.27Å; S233-R236 PolarHBondContact O-N 2.97Å; K234-R236 PolarHBondContact O-N 2.71Å; R236-K239 PolarHBondContact O-N 3.39Å; R236-Q240 WeakPolarHBondContact O-CG 3.34Å; R236-Q240 PolarHBondContact O-N 3.43Å
237R88.3Confident82.7Confident178 Ų17899.5 Ų99.567%0.67249%0.488SS*.Hα-helixtrans-63.9-41.6177.6-168.6175.2-174.1154.21.7111.8S233 K234 E235 Q240 L241S233-R237 PolarHBondContact O-N 3.36Å; K234-R237 PolarHBondContact O-N 2.93Å; E235-R237 PolarHBondContact O-N 3.43Å; R237-Q240 PolarHBondContact O-N 2.95Å; R237-L241 HydrophobicContact CG-CD1 4.22Å; R237-L241 VanDerWaalsContact O-CG 3.3Å; R237-L241 WeakPolarHBondContact O-CG 3.3Å; R237-L241 PolarHBondContact O-N 2.92Å
238M82.6Confident80.5Confident107 Ų107108 Ų10853%0.52752%0.52SS..Hα-helixtrans-65.6-42.2176.3-66-61.3-85.300111.3K234 E235 Q240 L241 S242K234-M238 HydrophobicContact CG-CG 4.34Å; K234-M238 VanDerWaalsContact O-CG 3.27Å; K234-M238 WeakPolarHBondContact O-CG 3.2Å; K234-M238 PolarHBondContact O-N 3.27Å; E235-M238 PolarHBondContact O-N 3.47Å; M238-Q240 PolarHBondContact O-N 3.18Å; M238-L241 PolarHBondContact O-N 3.23Å; M238-S242 WeakPolarHBondContact O-CB 3.38Å; M238-S242 PolarHBondContact O-N 3.49Å; M238-S242 PolarHBondContact O-OG 3.41Å; M238-S242 VanDerWaalsContact O-OG 3.12Å
239K84.2Confident78.2Confident132 Ų132114.9 Ų114.957%0.57455%0.552SS**Hα-helixtrans-60.8-41.3174.7-78.2173.4170.6167.10112.3E235 R236 S242 A243E235-K239 HydrophobicContact CG-CD 4.3Å; E235-K239 WeakPolarHBondContact O-CB 3.4Å; E235-K239 WeakPolarHBondContact O-CG 3.49Å; E235-K239 PolarHBondContact O-N 3.15Å; E235-K239 WeakPolarHBondContact OE1-CE 3.29Å; E235-K239 IonicContact OE1-NZ 3.3Å; E235-K239 PolarHBondContact OE1-NZ 2.8Å; R236-K239 PolarHBondContact O-N 3.39Å; K239-S242 PolarHBondContact O-N 2.87Å; K239-A243 VanDerWaalsContact O-CB 3.3Å; K239-A243 WeakPolarHBondContact O-CB 3.48Å; K239-A243 PolarHBondContact O-N 3.4Å
240Q78.9Confident76Confident116 Ų116114.6 Ų114.654%0.54257%0.565SS.*Hα-helixtrans-64.6-41.9175-73.9174.1-7.700112.5R236 R237 M238 L244R236-Q240 WeakPolarHBondContact O-CG 3.34Å; R236-Q240 PolarHBondContact O-N 3.43Å; R237-Q240 PolarHBondContact O-N 2.95Å; M238-Q240 PolarHBondContact O-N 3.18Å; Q240-L244 WeakPolarHBondContact O-CG 3.47Å; Q240-L244 PolarHBondContact O-N 3.48Å; Q240-L244 VanDerWaalsContact O-N 3.15Å
241L75.9Confident73.8Confident103 Ų103118.3 Ų118.354%0.53958%0.577SS.*Hα-helixtrans-67.1-41.2176.8-71.5168.1000112R237 M238 L244 G245R237-L241 HydrophobicContact CG-CD1 4.22Å; R237-L241 VanDerWaalsContact O-CG 3.3Å; R237-L241 WeakPolarHBondContact O-CG 3.3Å; R237-L241 PolarHBondContact O-N 2.92Å; M238-L241 PolarHBondContact O-N 3.23Å; L241-L244 PolarHBondContact O-N 2.98Å; L241-G245 PolarHBondContact O-N 2.95Å
242S79.2Confident71.6Confident85 Ų85122.6 Ų122.659%0.59460%0.599SS**Hα-helixtrans-67.2-39.8176.4-62.80000112.5M238 K239 L244 G245M238-S242 WeakPolarHBondContact O-CB 3.38Å; M238-S242 PolarHBondContact O-N 3.49Å; M238-S242 PolarHBondContact O-OG 3.41Å; M238-S242 VanDerWaalsContact O-OG 3.12Å; K239-S242 PolarHBondContact O-N 2.87Å; S242-L244 VanDerWaalsContact C-N 3.3Å; S242-L244 PolarHBondContact O-N 3.15Å; S242-G245 PolarHBondContact O-N 3.12Å
243A71.5Confident69.3Low73 Ų73129.7 Ų129.760%0.60363%0.626SS**Hα-helixtrans-65-32.6176.500000112.8K239K239-A243 VanDerWaalsContact O-CB 3.3Å; K239-A243 WeakPolarHBondContact O-CB 3.48Å; K239-A243 PolarHBondContact O-N 3.4Å
244L63.7Low66.5Low122 Ų122131.3 Ų131.364%0.63964%0.637SS**Hα-helixtrans-84.5-17.3175.7-67.5170.4000113.4Q240 L241 S242Q240-L244 WeakPolarHBondContact O-CG 3.47Å; Q240-L244 PolarHBondContact O-N 3.48Å; Q240-L244 VanDerWaalsContact O-N 3.15Å; L241-L244 PolarHBondContact O-N 2.98Å; S242-L244 VanDerWaalsContact C-N 3.3Å; S242-L244 PolarHBondContact O-N 3.15Å
245G56.9Low64.2Low24 Ų24130.7 Ų130.725%0.24765%0.646CS.*Hα-helixtrans-70.1-34.2174.700000113.4L241 S242 R247 R248 H249L241-G245 PolarHBondContact O-N 2.95Å; S242-G245 PolarHBondContact O-N 3.12Å; G245-R247 VanDerWaalsContact C-N 3.26Å; G245-R247 PolarHBondContact O-N 3.18Å; G245-R248 PolarHBondContact O-N 3.23Å; G245-H249 PolarHBondContact O-CD2 3.16Å
246A54Low62Low81 Ų81138.6 Ų138.667%0.66967%0.673SS**THydrogen-bonded Turntrans-64.2-25.8-178.500000113.9
247R52.4Low59.8Low224 Ų224141.9 Ų141.985%0.84569%0.685SS**THydrogen-bonded Turntrans-88.6-9.4178-74.7-169.1173.9-172.7-1.2114.7G245G245-R247 VanDerWaalsContact C-N 3.26Å; G245-R247 PolarHBondContact O-N 3.18Å
248R50.5Low57.4Low208 Ų208142.4 Ų142.479%0.78570%0.698SS**THydrogen-bonded Turntrans-101-6.9-178.7-67.8-170.8175.9-129.2-0.5113.9G245G245-R248 PolarHBondContact O-N 3.23Å
249H49.9Very low55.5Low146 Ų146148.3 Ų148.368%0.67671%0.714SS**THydrogen-bonded Turntrans-88.33.2-178.1-80.8-67.5000115.7G245G245-H249 PolarHBondContact O-CD2 3.16Å
250A50.3Low53.5Low84 Ų84148 Ų14869%0.69473%0.725SS**THydrogen-bonded Turntrans-84-15176.500000114.5
251F49.7Very low51.4Low179 Ų179151 Ų15179%0.78574%0.744SS**SBendtrans-111.2-3.8-171.9-68-75.6000115.8
252F50.6Low49.5Very low189 Ų189150 Ų15083%0.82976%0.759SS**SBendtrans-129.519.4-174.2-91.2-79.8000116.3
253R46Very low47.2Very low224 Ų224150 Ų15085%0.84577%0.772SS**  trans-126.278.6162.9-80-166.5176.2-169.30.3110.8
254S36.6Very low45.6Very low106 Ų106158.3 Ų158.374%0.74179%0.788SS**  trans-96.8110.6149.6-172.70000107.1R256S254-R256 PolarHBondContact O-N 3.12Å; S254-R256 VanDerWaalsContact O-N 3.12Å
255P43.1Very low44.3Very low119 Ų119160.6 Ų160.677%0.77380%0.8SS**  trans-69104.9165.4-6.422.8000106.8R257P255-R257 PolarHBondContact O-N 3.09Å; P255-R257 VanDerWaalsContact O-N 3.09Å
256R46.7Very low43.2Very low237 Ų237165.4 Ų165.489%0.89482%0.82SS**  trans-63.5113.4166.5-74-172.5-166.6-152.62.6107.5S254 M258S254-R256 PolarHBondContact O-N 3.12Å; S254-R256 VanDerWaalsContact O-N 3.12Å; R256-M258 PolarHBondContact O-N 3.48Å
257R44Very low41.9Very low243 Ų243169.2 Ų169.292%0.91782%0.824SS**  trans-50.9120.4157.8-82.5179.3-179.6157.9-0.7107.8P255 R259P255-R257 PolarHBondContact O-N 3.09Å; P255-R257 VanDerWaalsContact O-N 3.09Å; R257-R259 PolarHBondContact O-N 3.43Å
258M38.8Very low40.9Very low189 Ų189163.1 Ų163.193%0.93182%0.816SS**  trans-66.3127.2162.7-73.2-72.5-137.200108.2R256R256-M258 PolarHBondContact O-N 3.48Å
259R42.9Very low40.1Very low231 Ų231161.3 Ų161.387%0.87282%0.816SS**  trans-109.1129.8165.1-175.4160.7176.4144.8-4.8106.9R257R257-R259 PolarHBondContact O-N 3.43Å
260P41.6Very low39.4Very low125 Ų125161.3 Ų161.381%0.81282%0.818SS**  trans-78150.2-177.132.4-31.9000110.2
261L36.3Very low38.8Very low180 Ų180164.7 Ų164.794%0.94282%0.824SS**  trans-123.4122.7-178.2-137.6154000108.1
262G34.3Very low37.9Very low82 Ų82160 Ų16085%0.84583%0.825SS**  trans131100158.500000116.1
263G31Very low37Very low85 Ų85155.9 Ų155.988%0.87682%0.82SS**  trans-169.998.9164.400000109.4
264R38.4Very low36.2Very low247 Ų247151.5 Ų151.593%0.93282%0.819SS**  trans-95.6144.3-175.3-168.8-165.2-169.8-151.63.6109.2
265L36Very low37.2Very low169 Ų169151.5 Ų151.589%0.88582%0.816SS**  trans146.4142.9162.6-83.3164.7000105.7
266D33.3Very low36.8Very low126 Ų126156.4 Ų156.467%0.67482%0.821SS**  cis-176162.7-15.7-176.440.8000104.9
267E28.6Very low36Very low160 Ų160151.5 Ų151.575%0.74882%0.817SS**  trans78.3114.6149-146.6145.792.100123.5
268S30.9Very low35.5Very low96 Ų96149.8 Ų149.867%0.67181%0.812SS**  trans46.5137.8133.1-69.20000126.3
269E34.3Very low35.4Very low171 Ų171150.7 Ų150.780%0.79981%0.807SS**  trans67.1151.2145.2-70-177.6134.700118
270M33.8Very low34.9Very low145 Ų145143.5 Ų143.571%0.71480%0.804SS**  cis-167.7154.9-2.4-117.2-137.9171.400107.2
271L38.8Very low34.6Very low156 Ų156144.4 Ų144.482%0.81780%0.802SS**  trans15.9143.6152.1-81.1141.4000122.7
272G29.1Very low34.3Very low79 Ų79145.5 Ų145.581%0.81480%0.795SS**  trans158.9119.5143.600000118.4
273S32.8Very low34.4Very low103 Ų103149.4 Ų149.472%0.7279%0.792SS**  trans-88.6141.1-171.9-40.70000116.1
274T29.2Very low34.5Very low133 Ų133148.6 Ų148.682%0.81678%0.783SS**  trans61-178.6135.661.60000120.2
275P58.4Low34.4Very low106 Ų106143.7 Ų143.769%0.68878%0.775SS**  -133.6-177-98.639.1-16.8000116.2
276Y34Very low34.4Very low221 Ų221144.3 Ų144.387%0.86777%0.767SS**  trans71.2125151.6-108.8-86.1000123
277T30Very low34.7Very low134 Ų134147.1 Ų147.182%0.82277%0.77SS**  trans158.6154.9138.125.70000108.5
278Y32.3Very low35Very low208 Ų208143.4 Ų143.482%0.81677%0.766SS**  cis-176.7162.8-14.3169.7-98000107
279Y37.3Very low36.1Very low208 Ų208145.2 Ų145.282%0.81678%0.776SS**  trans-42.3162.7-173.5-96.4-102.3000121.1
280G32.2Very low36.2Very low79 Ų79140.2 Ų140.281%0.81477%0.771SS**  trans164.2111.7145.600000117.2
281D36.5Very low36Very low144 Ų144138.8 Ų138.877%0.7777%0.774SS**  trans-93.4146.7178.5-158.8-43.7000111
282Y29.8Very low35.7Very low204 Ų204137.7 Ų137.780%0.877%0.769SS**  trans168.3107.2140.8-113.7-94.6000115.8
283Q36.3Very low35.8Very low164 Ų164143.9 Ų143.977%0.76677%0.77SS**  36.2132.2123.5-130.3170.5-1.200127
284G33.3Very low35.9Very low67 Ų67145.3 Ų145.369%0.69177%0.769SS**  trans104.814214200000117.9
285D36.6Very low35.9Very low145 Ų145148 Ų14878%0.77577%0.77SS**  cis-172.6156.4-6.8-102.8-53.5000109.6
286Y35.3Very low34.8Very low181 Ų181152 Ų15271%0.7178%0.777SS**  trans73.8134.4152.9-89.7-136.2000121
287Y38.7Very low34.9Very low185 Ų185144.7 Ų144.773%0.72576%0.762SS**  cis-162.7142.314.3-132.4-40.2000113.4
288A35.4Very low35.1Very low82 Ų82147.6 Ų147.668%0.67877%0.766SS**  trans74.3161.2139.700000123.8
289P54.6Low35.1Very low134 Ų134140.8 Ų140.887%0.8776%0.759SS**  -131.4175.2-54.737.8-21.3000110.8
290G35.4Very low35.4Very low67 Ų67136.6 Ų136.669%0.69176%0.757SS**  cis141.8125.810.600000109.8
291S30.6Very low35.9Very low114 Ų114138.7 Ų138.780%0.79776%0.757SS**  trans127.2132.8157.1-68.20000114.8
292N31.6Very low35.9Very low133 Ų133137.3 Ų137.371%0.71176%0.759SS**  cis-167.3130.5-16.4-118.3-11.8000108.7
293Y31.8Very low36Very low209 Ų209136.9 Ų136.982%0.8276%0.764SS**  trans58.4139.4147.7-76.1-78.3000127.9
294D35.5Very low35.7Very low133 Ų133133 Ų13371%0.71176%0.759SS**  trans-51.7158.8178.9-66.6-93.7000120.5
295F29.1Very low35.6Very low191 Ų191139.3 Ų139.384%0.83877%0.771SS**  160.8137.897.7-162.1-102.3000112.1
296F34.8Very low35.6Very low188 Ų188137.5 Ų137.583%0.82577%0.77SS**  trans-90.1146.7-179.2-115.9-89.2000112.8
297A35.8Very low36.1Very low68 Ų68135.1 Ų135.156%0.56278%0.776SS**  trans52.7119.9151.800000119.6
298H35.1Very low36Very low195 Ų195130.6 Ų130.690%0.90378%0.778SS**  -170.9146119-83.7-57.4000109.3
299G32.3Very low35.7Very low65 Ų65133.8 Ų133.867%0.6778%0.783SS**PPolyproline II helixtrans-73.2172.4-167.400000115.6
300P41.8Very low34.6Very low120 Ų120131.7 Ų131.778%0.77977%0.771SS**PPolyproline II helixtrans-92.6139.9-178.134.1-29.6000112.1
301P44.3Very low34.4Very low124 Ų124133.6 Ų133.681%0.80578%0.775SS**PPolyproline II helixtrans-95.5147.5140.833.9-23.7000109.1
302S36.5Very low34.5Very low115 Ų115136.9 Ų136.980%0.80478%0.775SS**  trans-137.1107.8173.9-62.70000110.7
303Q30.9Very low34.7Very low195 Ų195137.8 Ų137.891%0.91178%0.779SS**  trans-154.6141.1152.5-92.9-169.432.800104.1
304A29.8Very low34.9Very low81 Ų81132.1 Ų132.167%0.66978%0.775SS**  cis-164.5169.915.100000108.3
305Q31.4Very low34.9Very low200 Ų200130.1 Ų130.194%0.93578%0.777SS**  -166124.3128.1-104.7169.134.300110.5
306S37.2Very low35.4Very low107 Ų107126.9 Ų126.975%0.74878%0.778SS**  trans-82172.3172.338.10000111.8
307P45.6Very low35.3Very low131 Ų131121.5 Ų121.585%0.85178%0.776SS**  -123.5147.8123.732.8-23.9000111.7
308A35.5Very low35.5Very low91 Ų91124.6 Ų124.675%0.75279%0.79SS**  trans-77.6144.7-179.800000111.6
309D30Very low35.8Very low149 Ų149118.8 Ų118.880%0.79778%0.783SS**  -158.1134.3110.7-127.7-42.1000112.8
310S31.6Very low36Very low89 Ų89121.5 Ų121.562%0.62279%0.792SS**  trans7.6118.1161.443.50000120.8
311S31.1Very low36Very low108 Ų108122.1 Ų122.176%0.75579%0.794SS**  74.5104.173.4-62.90000115.1
312F32.1Very low36.6Very low183 Ų183121.3 Ų121.380%0.80379%0.788SS**  173123113-115.8-124.9000115.1
313L36.3Very low36.5Very low151 Ų151124.2 Ų124.279%0.79179%0.794SS**  trans74.6140138-66.1-174.4000125.8
314A36.4Very low36.5Very low90 Ų90118.4 Ų118.474%0.74479%0.787SS**  trans-102.3158.1-174.200000112.9
315A35.6Very low36.7Very low91 Ų91118.9 Ų118.975%0.75279%0.79SS**  trans44.6107.1155.400000119.7
316S39.6Very low37Very low123 Ų123117 Ų11786%0.8679%0.786SS**  48.1101.9128.6-43.40000120
317G33.3Very low37Very low76 Ų76120.9 Ų120.978%0.78479%0.792SS**  67.8115.5129.400000119.6
318P40.1Very low37.3Very low132 Ų132119.3 Ų119.386%0.85778%0.782SS**PPolyproline II helixtrans-92.7140.3167.434.7-27.7000112.2
319G39.8Very low38.2Very low74 Ų74119.6 Ų119.676%0.76378%0.777SS**PPolyproline II helixtrans-78.1160.3147.400000110.7
320S37.8Very low38.4Very low122 Ų122120.4 Ų120.485%0.85378%0.78SS**PPolyproline II helixtrans-59.5156.1-173.742.40000116.9
321T41.8Very low38.5Very low133 Ų133120.6 Ų120.682%0.81679%0.787SS**  trans-62.2-172.2-175.951.50000117.1
322P56.8Low38.5Very low106 Ų106118.9 Ų118.969%0.68879%0.786SS**  -136.5171.5-57.338.9-22.4000113.6
323L33.5Very low39.3Very low176 Ų176116.1 Ų116.192%0.92179%0.787SS**  trans174.1143.9131.8-96.7162.3000112.3
324G31.9Very low39.1Very low74 Ų74117.9 Ų117.976%0.76379%0.79SS**  trans-71.9-164.2-172.100000116.2
325A33.8Very low38.9Very low90 Ų90118.2 Ų118.274%0.74479%0.793SS**  cis-166.6175.55.200000108.2
326L37.8Very low38.8Very low162 Ų162118.2 Ų118.285%0.84879%0.793SS**  trans87.9103.2159.7-49.2179.5000119.6
327E36.7Very low38.3Very low187 Ų187120.5 Ų120.587%0.87480%0.796SS**  42.3158.4120.7-91.5-151.58500124
328P51.2Low38.5Very low98 Ų98123.8 Ų123.864%0.63680%0.795SS**  trans-114.1-147.7-14142.5-23000110.4
329P55.9Low38.8Very low98 Ų98122.5 Ų122.564%0.63679%0.787SS**  cis-144.4179.9-4.630.5-4.7000117.8
330L34.3Very low38.4Very low166 Ų166130 Ų13087%0.86979%0.793SS**  trans86.5137.3138.1-85159000124.1
331A33.5Very low38.1Very low93 Ų93133 Ų13377%0.76979%0.791SS**  trans90.5119.4144.300000121.1
332G30.6Very low37.6Very low72 Ų72132.6 Ų132.674%0.74279%0.788SS**  trans-77.1-157.7152.800000111.3
333P48.8Very low36.5Very low125 Ų125133.2 Ų133.281%0.81279%0.785SS**  cis-140.3-173.59.635.7-11.8000115.8
334H32.8Very low36.5Very low187 Ų187132.2 Ų132.287%0.86678%0.778SS**  trans-18.3141.9167.7-56.9-89.7000121.9
335A31.1Very low36.5Very low97 Ų97135.5 Ų135.580%0.80278%0.776SS**  145.7134.8104.800000115.4
336A34.7Very low36.7Very low91 Ų91136 Ų13675%0.75278%0.775SS**  trans42.2126.414800000122.2
337D29.1Very low36.7Very low171 Ų171136.3 Ų136.391%0.91477%0.771SS**  -170.9146.5124.3-100-43.3000112.1
338N36.6Very low37.2Very low145 Ų145133.5 Ų133.578%0.77577%0.769SS**  trans-133.6135.7171.2-165.839.9000104.7
339P45.5Very low36.3Very low106 Ų106136 Ų13669%0.68878%0.777SS**  -163.1168.787.939.4-17.2000118.8
340R32.7Very low35.3Very low232 Ų232137.4 Ų137.488%0.87578%0.784SS**  trans76.8112.4142-82.8179.3177.5160.71.9124.1
341F32.1Very low36.3Very low185 Ų185135.7 Ų135.781%0.81178%0.783SS**  63.7114.7120.5-134.2-85.6000122.6
342T31.5Very low36.6Very low123 Ų123136.4 Ų136.476%0.75578%0.783SS**  176.6141122.717.60000115.2
343D32.1Very low37.9Very low120 Ų120139 Ų13964%0.64279%0.786SS**  trans37.6123.2148.7-75.1-86.3000124.4
344M33Very low37.5Very low154 Ų154141.1 Ų141.176%0.75979%0.785SS**  68.7120.784.8-71.6-160.774.500116.1
345I33.4Very low38.6Very low143 Ų143138.6 Ų138.673%0.73379%0.785SS**  159.5141.6126.8-77.8152.8000112.8
346S37.5Very low38.6Very low101 Ų101137.4 Ų137.471%0.70678%0.783SS**  trans-72.4-173.1-177.1-30.60000116.1
347H38.3Very low38.9Very low169 Ų169141 Ų14178%0.78279%0.788SS**  trans140.3161.8148.9-68.5-49.5000112.9
348P47.5Very low40.1Very low127 Ų127138.8 Ų138.883%0.82578%0.783SS**  cis-139.7-169-37.538.6-18.3000115.3
349D31.8Very low39.8Very low150 Ų150135.4 Ų135.480%0.80278%0.782SS**  trans-104.2174.3-165.4-105.6-56.2000118
350T35.5Very low39.2Very low129 Ų129134.6 Ų134.679%0.79178%0.784SS**  trans84.9154.5148.733.20000123
351P54.8Low39.2Very low130 Ų130131.9 Ų131.984%0.84479%0.786SS**  cis-147-175.744.140.2-15.9000121.6
352S39.6Very low39.5Very low108 Ų108131.4 Ų131.476%0.75579%0.787SS**  trans-86.5-176.6-170.6-149.30000115.9
353P57.4Low40.3Very low125 Ų125131 Ų13181%0.81279%0.786SS**  -153176.267.938.8-15.4000119.3
354E40Very low40.5Very low171 Ų171133.4 Ų133.480%0.79980%0.795SS**  trans-115.2169.7172.7-121-158.314500111.5
355P56.3Low41.6Very low134 Ų134131.8 Ų131.887%0.8780%0.796SS**  -157.8156.494.338.5-17.8000119
356G30.8Very low41.5Very low72 Ų72128.6 Ų128.674%0.74280%0.799SS**  trans137.198.914200000120
357L40.7Very low41.3Very low166 Ų166132.8 Ų132.887%0.86981%0.807SS**  trans-93-178.2169.3-91.8168.7000111.5
358P55.5Low41.2Very low125 Ų125130.2 Ų130.281%0.81280%0.803SS**  cis-149.4170.322.739.2-16.4000120.7
359G30Very low40.6Very low73 Ų73133 Ų13375%0.75380%0.803SS**  trans109.9147141.200000116.9
360A33Very low40.7Very low89 Ų89130.8 Ų130.874%0.73680%0.799SS**  cis-172.4139.8-11.800000108.5
361L32.2Very low40.4Very low175 Ų175128.5 Ų128.592%0.91680%0.8SS**  trans63.4125.6141.3-55.4169.6000123.5
362H38.3Very low39.4Very low176 Ų176125.9 Ų125.982%0.81580%0.797SS**  trans-53.5166.9155-95.4-76.2000113.4
363P49.1Very low39.9Very low113 Ų113127.1 Ų127.173%0.73480%0.803SS**  -161.8157.952.540.5-16.4000121.8
364M35Very low39.1Very low172 Ų172126.2 Ų126.285%0.84780%0.799SS**  trans48.5-176.4135.7-59.2-69.9-144.200122.4
365P57.3Low39.6Very low120 Ų120123.8 Ų123.878%0.77980%0.799SS**  -134.1-173.6-102.739-15.4000116.5
366G31.3Very low39.5Very low76 Ų76123 Ų12378%0.78479%0.793SS**  trans95143165.900000114.8
367E33.4Very low39.8Very low189 Ų189128.6 Ų128.688%0.88380%0.798SS**  cis-168.1149.930.7-103.8-168.8136.400112.4
368V36.7Very low40.3Very low114 Ų114126.9 Ų126.969%0.69180%0.796SS**  trans18137.4150-800000125.6
369F32.9Very low39.5Very low187 Ų187128.8 Ų128.882%0.8280%0.796SS**  161112.7116.7-111.2-105000109.6
370S34.2Very low39.6Very low103 Ų103131.2 Ų131.272%0.7280%0.802SS**  93.2130.585.6-65.40000115.5
371G29.8Very low39.5Very low80 Ų80130.2 Ų130.283%0.82580%0.8SS**  trans128104.3151.900000117
372G34.7Very low39.4Very low76 Ų76128.2 Ų128.278%0.78480%0.796SS**  trans-70.2-162.316400000112.9
373P49.6Very low39.1Very low134 Ų134125.7 Ų125.787%0.8780%0.798SS**  cis-145.7172.939.736.9-14.4000117
374S39.9Very low38.1Very low106 Ų106124 Ų12474%0.74180%0.8SS**  trans-86.3167159.7-40.50000110.2
375P50.9Low38Very low120 Ų120127 Ų12778%0.77980%0.804SS**  -160-148.974.940.7-16.3000112.9
376P55.1Low37.1Very low116 Ų116126.8 Ų126.875%0.75381%0.805SS**  cis-124.9175.7-47.424.3-2.4000114.4
377F37.3Very low37.1Very low191 Ų191126.3 Ų126.384%0.83880%0.801SS**  trans-75.5167.7163.4-77.7-88.4000113.2
378P50.4Low37.4Very low130 Ų130123.7 Ų123.784%0.84480%0.8SS**  -139.8170.8120.736.8-22000115.8
379M38.3Very low37.2Very low164 Ų164126.3 Ų126.381%0.80881%0.809SS**  trans-102158.9-169.9-77.6-90.1149.100114.5
380S33Very low37.3Very low124 Ų124122.7 Ų122.787%0.86781%0.807SS**  trans76.1129150.2-62.70000121.4
381G29.1Very low37.5Very low69 Ų69126.5 Ų126.571%0.71181%0.813SS**  trans162.682.8161.900000116.9
382T30.1Very low38Very low133 Ų133128.3 Ų128.382%0.81681%0.81SS**  trans31.6136.3141.658.90000123.9
383S32Very low38.1Very low123 Ų123131.6 Ų131.686%0.8681%0.81SS**  trans93.2123.1140.6-59.10000120.1
384G29.9Very low37.9Very low76 Ų76129.1 Ų129.178%0.78479%0.794SS**  trans131.7101.1136.900000117.9
385Y32.7Very low38Very low237 Ų237133.5 Ų133.593%0.92980%0.802SS**  trans84.1107.4145.6-126.3-99.9000120.1
386S37Very low37.9Very low114 Ų114134.2 Ų134.280%0.79780%0.799SS**  trans-85.7135.8171.320.40000111.8
387G32.7Very low37.7Very low67 Ų67134.3 Ų134.369%0.69179%0.793SS**  trans-154.1148.9167.200000109.1
388P40.1Very low38.1Very low133 Ų133130.5 Ų130.586%0.86478%0.778SS**PPolyproline II helix-82.8143.5-129.330.2-35.1000115.7S390P388-S390 PolarHBondContact O-N 2.87Å
389L31.2Very low37.9Very low170 Ų170125.2 Ų125.289%0.8975%0.746SS**PPolyproline II helixtrans-57.5123.8174.6-70.5154.1000111.9
390S35.9Very low37.8Very low111 Ų111120.4 Ų120.478%0.77673%0.732SS**PPolyproline II helixtrans-70.7129.2153.821.60000108.2P388P388-S390 PolarHBondContact O-N 2.87Å
391H37.2Very low38.1Very low183 Ų183116.4 Ų116.485%0.84770%0.702SS**PPolyproline II helixtrans-53.8128.3177.6-72-83.3000111.3N393H391-N393 PolarHBondContact O-N 2.99Å
392P39.8Very low38.3Very low118 Ų118127.5 Ų127.577%0.76672%0.723SS**PPolyproline II helixtrans-73.9129.916730.3-29.2000108.6
393N38Very low38.7Very low145 Ų145127.3 Ų127.378%0.77572%0.718SS**PPolyproline II helixtrans-55.2127.2169.9-162.316.9000108.9H391 E395H391-N393 PolarHBondContact O-N 2.99Å; N393-E395 PolarHBondContact O-N 3.42Å
394P46.1Very low39.1Very low82 Ų82127.5 Ų127.553%0.53271%0.711SS.*PPolyproline II helixtrans-70.4122.6177.327.1-30.3000109L396P394-L396 PolarHBondContact O-N 2.86Å; P394-L396 VanDerWaalsContact O-N 3.08Å
395E41.4Very low39.6Very low197 Ų197130.3 Ų130.392%0.92171%0.707SS**  trans-48.1114.2173.8-75.51769400110.7N393 N397N393-E395 PolarHBondContact O-N 3.42Å; E395-N397 PolarHBondContact O-N 3.3Å
396L48.3Very low40Very low136 Ų136124.1 Ų124.171%0.71269%0.693SS**  trans-86.299173.7-70.2169000107.7F56 P394 E398F56-L396 HydrophobicContact CE1-CD2 4.4Å; P394-L396 PolarHBondContact O-N 2.86Å; P394-L396 VanDerWaalsContact O-N 3.08Å; L396-E398 PolarHBondContact O-N 3.13Å
397N50.4Low40.2Very low117 Ų117124.7 Ų124.763%0.62669%0.687SS**  trans-88.292.3173.2-15910.3000109.8E395 A399E395-N397 PolarHBondContact O-N 3.3Å; N397-A399 PolarHBondContact O-N 3.42Å
398E45.5Very low40.7Very low111 Ų111128.5 Ų128.552%0.51969%0.687SS.*  trans-80.8102.5172.4-171.5175.6138.100108.7K42 L396K42-E398 IonicContact NZ-OE1 2.71Å; K42-E398 PolarHBondContact NZ-OE1 3.22Å; L396-E398 PolarHBondContact O-N 3.13Å
399A48Very low40.7Very low20 Ų20128.2 Ų128.217%0.16567%0.674CS.*EExtended strand (participates in β ladder)trans-92117.5173.200000110.5L21 N397L21-A399 HydrophobicContact CD2-CB 3.6Å; L21-A399 HydrophobicContact CG-CB 4.02Å; N397-A399 PolarHBondContact O-N 3.42Å
400A35Very low41.5Very low63 Ų63125 Ų12552%0.52166%0.657SS.*EExtended strand (participates in β ladder)trans-81.8129.8165.700000108.9
401V39.3Very low41.9Very low40 Ų40126.2 Ų126.224%0.24265%0.648CS.*PPolyproline II helixtrans-86.7125.4175.2-1760000107.8L18 V20L18-V401 HydrophobicContact CD2-CG1 4.36Å; V20-V401 HydrophobicContact CG2-CG2 4.02Å
402W34.1Very low42.4Very low302 Ų302121 Ų121100%1.14463%0.629SS**  trans-119.90164.337.9-81.6000109.3

Retrieved 402 of 402 residues in 870.6 ms (Link to these results)