A0A077YYJ1_TRITR Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A077YYJ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 335 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
1M40.4Very low58.4Low226 Ų226103 Ų103100%1.11358%0.575SS**  0115.50-81.2-178-82.700107
2A47.1Very low61.4Low50 Ų5095.4 Ų95.441%0.41353%0.532SS..PPolyproline II helixtrans-66.7138.9179.600000110.2K4 V10A2-K4 PolarHBondContact O-N 3.06Å; A2-V10 HydrophobicContact CB-CG1 3.5Å
3A54.7Low64Low58 Ų5888.3 Ų88.348%0.47949%0.492SS..PPolyproline II helixtrans-64.1133.6176.600000109.5S11A3-S11 WeakPolarHBondContact O-CB 3.38Å; A3-S11 PolarHBondContact O-N 2.78Å
4K48.6Very low66.1Low154 Ų15486.1 Ų86.167%0.6748%0.479SS*.BIsolated β-bridgetrans-91.3138.4172.3-71.3-179.6174.5-179.10109.1A2 K9A2-K4 PolarHBondContact O-N 3.06Å; K4-K9 CarbonylContact C-O 3.33Å; K4-K9 VanDerWaalsContact CA-O 3.27Å; K4-K9 WeakPolarHBondContact CA-O 3.38Å
5D57.6Low67.5Low55 Ų5585.1 Ų85.129%0.29448%0.479SS..  trans-69.9176171.4771.8000111.5K7 G8 K9D5-K7 PolarHBondContact O-N 2.99Å; D5-K7 VanDerWaalsContact OD1-C 3.29Å; D5-K7 VanDerWaalsContact OD1-CA 3.32Å; D5-K7 WeakPolarHBondContact OD1-CA 3.5Å; D5-K7 WeakPolarHBondContact OD1-CB 3.34Å; D5-K7 PolarHBondContact OD1-N 3.34Å; D5-G8 PolarHBondContact O-N 3.32Å; D5-G8 PolarHBondContact OD1-N 2.88Å; D5-K9 PolarHBondContact N-O 2.67Å; D5-K9 WeakPolarHBondContact OD1-CB 2.78Å; D5-K9 PolarHBondContact OD1-N 3.23Å
6S47.1Very low68.9Low128 Ų12887.7 Ų87.790%0.89549%0.491SS*.THydrogen-bonded Turntrans-61.5-8.7179.658.40000114.5
7K55.8Low70.4Confident175 Ų17583.5 Ų83.576%0.76147%0.467SS*.THydrogen-bonded Turntrans-1088.7175.3-61.1-172.5-179.3-177.20112.7D5 K9D5-K7 PolarHBondContact O-N 2.99Å; D5-K7 VanDerWaalsContact OD1-C 3.29Å; D5-K7 VanDerWaalsContact OD1-CA 3.32Å; D5-K7 WeakPolarHBondContact OD1-CA 3.5Å; D5-K7 WeakPolarHBondContact OD1-CB 3.34Å; D5-K7 PolarHBondContact OD1-N 3.34Å; K7-K9 PolarHBondContact O-N 3.17Å
8G56.9Low71.7Confident43 Ų4386.7 Ų86.744%0.44348%0.483SS..SBendtrans76.44.6-179.300000114.4D5D5-G8 PolarHBondContact O-N 3.32Å; D5-G8 PolarHBondContact OD1-N 2.88Å
9K66.7Low72.9Confident141 Ų14184.7 Ų84.761%0.61347%0.471SS*.PPolyproline II helixtrans-74.7137.3174.6-67.1-175.5175.2-174.40109.1K4 D5 K7 S11K4-K9 CarbonylContact C-O 3.33Å; K4-K9 VanDerWaalsContact CA-O 3.27Å; K4-K9 WeakPolarHBondContact CA-O 3.38Å; D5-K9 PolarHBondContact N-O 2.67Å; D5-K9 WeakPolarHBondContact OD1-CB 2.78Å; D5-K9 PolarHBondContact OD1-N 3.23Å; K7-K9 PolarHBondContact O-N 3.17Å; K9-S11 PolarHBondContact O-N 3Å
10V77.7Confident73.9Confident87 Ų8781.8 Ų81.853%0.52746%0.455SS..BIsolated β-bridgetrans-65.1126.3173.7178.90000108A2A2-V10 HydrophobicContact CB-CG1 3.5Å
11S89.5Confident74.7Confident16 Ų1681.8 Ų81.811%0.11245%0.454CS..PPolyproline II helixtrans-59.2141.1176.4-179.10000110.6A3 K9 I13 E185A3-S11 WeakPolarHBondContact O-CB 3.38Å; A3-S11 PolarHBondContact O-N 2.78Å; K9-S11 PolarHBondContact O-N 3Å; S11-I13 PolarHBondContact O-N 3.28Å; S11-I13 PolarHBondContact OG-N 3.42Å; S11-I13 PolarHBondContact OG-O 3.34Å; S11-E185 WeakPolarHBondContact CA-OE2 3.47Å; S11-E185 PolarHBondContact OG-OE1 2.79Å; S11-E185 PolarHBondContact OG-OE2 3.35Å
12L94.4Very high77.1Confident12 Ų1271.1 Ų71.16%0.06340%0.402CS..SBendtrans-61.1-22.8175.1-77.3176.8000112.7Q183 E185 V192 L194 M209L12-Q183 HydrophobicContact CD1-CB 4.2Å; L12-Q183 HydrophobicContact CD2-CB 4.14Å; L12-E185 WeakPolarHBondContact CB-OE2 3.49Å; L12-E185 HydrophobicContact CD1-CB 3.95Å; L12-E185 HydrophobicContact CG-CB 4.42Å; L12-E185 PolarHBondContact N-OE2 2.95Å; L12-V192 HydrophobicContact CB-CG1 4.07Å; L12-V192 HydrophobicContact CD1-CB 4.33Å; L12-V192 HydrophobicContact CD1-CG1 3.76Å; L12-L194 HydrophobicContact CD1-CB 4.17Å; L12-L194 HydrophobicContact CD2-CB 4.04Å; L12-L194 HydrophobicContact CD2-CD2 3.88Å; L12-M209 HydrophobicContact CB-CE 4.04Å; L12-M209 WeakPolarHBondContact O-CE 3.4Å
13I95.3Very high79.2Confident3 Ų372.8 Ų72.82%0.01541%0.411CS..SBendtrans-117.8123.7-175.8-60164.6000109.2S11 C15 V192 M209 L211 L234 A238S11-I13 PolarHBondContact O-N 3.28Å; S11-I13 PolarHBondContact OG-N 3.42Å; S11-I13 PolarHBondContact OG-O 3.34Å; I13-C15 PolarHBondContact O-N 2.81Å; I13-V192 HydrophobicContact CD1-CG1 3.94Å; I13-V192 HydrophobicContact CD1-CG2 4Å; I13-V192 HydrophobicContact CG1-CG1 4.35Å; I13-M209 HydrophobicContact CD1-SD 3.91Å; I13-M209 HydrophobicContact CG1-CE 3.81Å; I13-M209 HydrophobicContact CG1-SD 3.68Å; I13-L211 HydrophobicContact CD1-CD2 4.01Å; I13-L234 HydrophobicContact CB-CD1 4.41Å; I13-L234 HydrophobicContact CD1-CD1 3.59Å; I13-L234 HydrophobicContact CD1-CD2 4.36Å; I13-L234 HydrophobicContact CD1-CG 3.88Å; I13-L234 HydrophobicContact CG2-CD1 4.09Å; I13-A238 HydrophobicContact CD1-CB 3.94Å; I13-A238 HydrophobicContact CG1-CB 4.07Å; I13-A238 HydrophobicContact CG2-CB 4.39Å
14D93.4Very high80.9Confident57 Ų5773.9 Ų73.931%0.30542%0.415SS..  trans-78.592.3170-1789000109.3N16 I17 T241D14-N16 PolarHBondContact O-N 3.4Å; D14-N16 VanDerWaalsContact O-N 3.1Å; D14-N16 WeakPolarHBondContact OD1-CB 3.34Å; D14-N16 PolarHBondContact OD1-N 3.41Å; D14-I17 HydrophobicContact CB-CB 4.17Å; D14-I17 VanDerWaalsContact O-CB 3.25Å; D14-I17 WeakPolarHBondContact O-CB 3.47Å; D14-I17 WeakPolarHBondContact O-CG2 3.44Å; D14-I17 PolarHBondContact O-N 3.04Å; D14-T241 PolarHBondContact N-OG1 3.12Å
15C87.8Confident83Confident71 Ų7167.5 Ų67.548%0.4839%0.387SS..THydrogen-bonded Turntrans-63.7-12.9178-62.60000113.9I13I13-C15 PolarHBondContact O-N 2.81Å
16N90.4Very high84.5Confident127 Ų12773.2 Ų73.268%0.67941%0.412SS*.THydrogen-bonded Turntrans-94.92.9175.3-61-53.8000112.7D14 L18D14-N16 PolarHBondContact O-N 3.4Å; D14-N16 VanDerWaalsContact O-N 3.1Å; D14-N16 WeakPolarHBondContact OD1-CB 3.34Å; D14-N16 PolarHBondContact OD1-N 3.41Å; N16-L18 PolarHBondContact O-N 2.89Å
17I93.9Very high86.5Confident16 Ų1669.7 Ų69.78%0.08238%0.383CS..PPolyproline II helixtrans-62.7134.8179.5-163.2163.5000110.7D14 I19 M240 K244D14-I17 HydrophobicContact CB-CB 4.17Å; D14-I17 VanDerWaalsContact O-CB 3.25Å; D14-I17 WeakPolarHBondContact O-CB 3.47Å; D14-I17 WeakPolarHBondContact O-CG2 3.44Å; D14-I17 PolarHBondContact O-N 3.04Å; I17-I19 PolarHBondContact O-N 3.3Å; I17-M240 VanDerWaalsContact CD1-C 3.42Å; I17-M240 HydrophobicContact CD1-CB 3.68Å; I17-M240 WeakPolarHBondContact CD1-O 3.47Å; I17-M240 HydrophobicContact CG1-CB 4.09Å; I17-M240 HydrophobicContact CG2-CB 3.95Å; I17-K244 HydrophobicContact CD1-CD 3.82Å; I17-K244 HydrophobicContact CD1-CG 4.47Å
18L92.7Very high88Confident142 Ų14265.7 Ų65.774%0.74337%0.367SS*.PPolyproline II helixtrans-66.2117.7174.5-176.468.1000109.8N16N16-L18 PolarHBondContact O-N 2.89Å
19I94.4Very high89.6Confident49 Ų4965.7 Ų65.725%0.25137%0.367SS..PPolyproline II helixtrans-93.1122170.2-60.5158.9000107.9I17 N21 R236 M240I17-I19 PolarHBondContact O-N 3.3Å; I19-N21 PolarHBondContact O-N 3.08Å; I19-R236 HydrophobicContact CD1-CB 3.61Å; I19-R236 HydrophobicContact CG1-CB 4.25Å; I19-R236 HydrophobicContact CG2-CB 4.27Å; I19-M240 HydrophobicContact CG1-CG 4.1Å
20P93.4Very high90.9Very high25 Ų2559.1 Ų59.116%0.16234%0.339CS..PPolyproline II helixtrans-56.5124.2175.6-26.636000111.8Y25 M240 P254 R255P20-Y25 HydrophobicContact CB-CD1 4.16Å; P20-Y25 HydrophobicContact CB-CE1 4.21Å; P20-M240 HydrophobicContact CG-CE 4.22Å; P20-P254 HydrophobicContact CB-CB 4.15Å; P20-P254 HydrophobicContact CG-CB 4.13Å; P20-R255 PolarHBondContact O-NE 3.4Å; P20-R255 PolarHBondContact O-NH2 2.76Å
21N91.9Very high91.6Very high82 Ų8257.8 Ų57.844%0.43933%0.331SS..PPolyproline II helixtrans-70.9146.1175.2-173.3-48.8000109.4I19 S23 S24 Y25I19-N21 PolarHBondContact O-N 3.08Å; N21-S23 PolarHBondContact O-N 2.81Å; N21-S23 VanDerWaalsContact O-N 3.08Å; N21-S23 PolarHBondContact OD1-N 3.48Å; N21-S23 PolarHBondContact OD1-OG 2.88Å; N21-S24 PolarHBondContact N-OG 3.11Å; N21-S24 WeakPolarHBondContact O-CB 3.45Å; N21-S24 PolarHBondContact O-N 2.81Å; N21-S24 PolarHBondContact O-OG 3.38Å; N21-Y25 VanDerWaalsContact O-CD1 3.3Å; N21-Y25 WeakPolarHBondContact O-CD1 3.27Å; N21-Y25 VanDerWaalsContact O-CE1 3.24Å; N21-Y25 WeakPolarHBondContact O-CE1 3.46Å
22A91Very high91.6Very high2 Ų257 Ų572%0.01733%0.326CS..THydrogen-bonded Turntrans-59.6-17.717700000114.9S24 Y117 K118 E281 D285A22-S24 VanDerWaalsContact C-N 3.3Å; A22-Y117 HydrophobicContact CB-CD1 3.73Å; A22-Y117 HydrophobicContact CB-CE1 3.75Å; A22-K118 HydrophobicContact CB-CD 4.45Å; A22-K118 WeakPolarHBondContact O-CD 3.42Å; A22-K118 PolarHBondContact O-NZ 3.39Å; A22-E281 HydrophobicContact CB-CG 4.19Å; A22-E281 WeakPolarHBondContact CB-OE1 3.45Å; A22-D285 HydrophobicContact CB-CB 3.92Å
23S89.3Confident90.9Very high85 Ų8560.4 Ų60.459%0.59434%0.341SS*.THydrogen-bonded Turntrans-77.5-13.3170.951.50000113.8N21 D285N21-S23 PolarHBondContact O-N 2.81Å; N21-S23 VanDerWaalsContact O-N 3.08Å; N21-S23 PolarHBondContact OD1-N 3.48Å; N21-S23 PolarHBondContact OD1-OG 2.88Å; S23-D285 WeakPolarHBondContact CA-OD1 3.32Å; S23-D285 WeakPolarHBondContact CB-OD1 3.42Å; S23-D285 PolarHBondContact N-OD1 2.79Å; S23-D285 VanDerWaalsContact N-OD1 3.14Å
24S92Very high89.9Confident81 Ų8168.1 Ų68.157%0.56637%0.37SS*.SBendtrans-94.5-3.9-176.269.40000114.9N21 A22N21-S24 PolarHBondContact N-OG 3.11Å; N21-S24 WeakPolarHBondContact O-CB 3.45Å; N21-S24 PolarHBondContact O-N 2.81Å; N21-S24 PolarHBondContact O-OG 3.38Å; A22-S24 VanDerWaalsContact C-N 3.3Å
25Y91.8Very high88.6Confident21 Ų2170.5 Ų70.58%0.08239%0.391CS..SBendtrans-138.1155.1179.453.8-101000112.2P20 N21 K118 H253 P254 R255 E281P20-Y25 HydrophobicContact CB-CD1 4.16Å; P20-Y25 HydrophobicContact CB-CE1 4.21Å; N21-Y25 VanDerWaalsContact O-CD1 3.3Å; N21-Y25 WeakPolarHBondContact O-CD1 3.27Å; N21-Y25 VanDerWaalsContact O-CE1 3.24Å; N21-Y25 WeakPolarHBondContact O-CE1 3.46Å; Y25-K118 HydrophobicContact CD2-CB 4.27Å; Y25-K118 HydrophobicContact CE2-CB 3.76Å; Y25-K118 HydrophobicContact CE2-CD 4.49Å; Y25-H253 AromaticContact CD2-CE1 3.96Å; Y25-H253 AromaticContact CD2-NE2 3.3Å; Y25-H253 VanDerWaalsContact CD2-NE2 3.3Å; Y25-H253 WeakPolarHBondContact CD2-NE2 3.34Å; Y25-H253 AromaticContact CE2-CE1 3.59Å; Y25-H253 AromaticContact CE2-NE2 3.21Å; Y25-H253 WeakPolarHBondContact CE2-NE2 3.48Å; Y25-H253 AromaticContact CG-NE2 3.99Å; Y25-H253 AromaticContact CZ-CE1 3.71Å; Y25-H253 AromaticContact CZ-NE2 3.83Å; Y25-P254 HydrophobicContact CD1-CB 4.32Å; Y25-P254 HydrophobicContact CD1-CG 4.46Å; Y25-P254 HydrophobicContact CG-CG 4.37Å; Y25-R255 HydrophobicContact CE1-CG 4.19Å; Y25-R255 PolarHBondContact OH-NE 3.42Å; Y25-R255 VanDerWaalsContact OH-NE 3.16Å; Y25-R255 PolarHBondContact OH-NH2 3.39Å; Y25-E281 PolarHBondContact OH-OE1 3.26Å
26E89.5Confident87.3Confident174 Ų17468.2 Ų68.281%0.81338%0.376SS*.  trans-75.7159177.9-62.9-172.5169.800111.5
27D87.9Confident86.5Confident55 Ų5563.2 Ų63.229%0.29435%0.352SS..  trans-77.5122175.6-171.8-74.3000110.3G29 S30 Q33 K118D27-G29 PolarHBondContact O-N 2.71Å; D27-G29 VanDerWaalsContact OD1-CA 3.28Å; D27-G29 WeakPolarHBondContact OD1-CA 3.42Å; D27-G29 PolarHBondContact OD1-N 2.99Å; D27-S30 PolarHBondContact OD1-N 3.43Å; D27-Q33 PolarHBondContact OD1-NE2 3.43Å; D27-Q33 WeakPolarHBondContact OD2-CG 3.49Å; D27-K118 HydrophobicContact CB-CB 4.3Å; D27-K118 HydrophobicContact CB-CG 4.09Å; D27-K118 WeakPolarHBondContact OD2-CA 3.22Å; D27-K118 WeakPolarHBondContact OD2-CG 3.36Å
28E88.9Confident85.8Confident90 Ų9063.2 Ų63.242%0.42135%0.354SS..  trans-85.930.6179.7-68.3-173.9170.600113.6K118 K120 H253E28-K118 PolarHBondContact N-O 2.96Å; E28-K118 VanDerWaalsContact N-O 3.13Å; E28-K120 HydrophobicContact CB-CB 4.32Å; E28-K120 WeakPolarHBondContact O-CB 3.47Å; E28-H253 VanDerWaalsContact CD-CD2 3.42Å; E28-H253 WeakPolarHBondContact OE1-CA 3.46Å; E28-H253 WeakPolarHBondContact OE1-CB 3.43Å; E28-H253 IonicContact OE1-CD2 3Å; E28-H253 PolarHBondContact OE1-CD2 3.27Å; E28-H253 IonicContact OE1-CG 3.71Å; E28-H253 WeakPolarHBondContact OE2-CB 3.38Å; E28-H253 IonicContact OE2-CD2 3.69Å; E28-H253 IonicContact OE2-CG 3.42Å
29G90.3Very high85.4Confident44 Ų4459.7 Ų59.745%0.45434%0.34SS..SBendtrans75.433-176.800000112.9D27D27-G29 PolarHBondContact O-N 2.71Å; D27-G29 VanDerWaalsContact OD1-CA 3.28Å; D27-G29 WeakPolarHBondContact OD1-CA 3.42Å; D27-G29 PolarHBondContact OD1-N 2.99Å
30S93.1Very high84.8Confident2 Ų258.1 Ų58.11%0.01433%0.332CS..  trans-67.6143.3172.7168.20000110.2D27 F32 Q33 D115 G116D27-S30 PolarHBondContact OD1-N 3.43Å; S30-F32 PolarHBondContact O-N 2.77Å; S30-F32 PolarHBondContact OG-N 2.88Å; S30-Q33 WeakPolarHBondContact O-CG 3.38Å; S30-Q33 PolarHBondContact O-NE2 3.24Å; S30-D115 WeakPolarHBondContact CA-OD2 3.33Å; S30-G116 WeakPolarHBondContact CB-O 3.23Å; S30-G116 PolarHBondContact OG-O 3.41Å
31V92.5Very high84.3Confident60 Ų6059.5 Ų59.536%0.36434%0.338SS..SBendtrans-66.2-16.5170.9-59.70000112.6Q33 D115 K297V31-Q33 PolarHBondContact O-N 2.85Å; V31-D115 HydrophobicContact CG2-CB 4.21Å; V31-D115 PolarHBondContact N-OD2 3.15Å; V31-K297 HydrophobicContact CB-CD 4.34Å; V31-K297 HydrophobicContact CG2-CB 4Å; V31-K297 HydrophobicContact CG2-CD 4.32Å; V31-K297 HydrophobicContact CG2-CG 4.46Å; V31-K297 WeakPolarHBondContact O-CD 3.39Å; V31-K297 WeakPolarHBondContact O-CE 3.42Å; V31-K297 PolarHBondContact O-NZ 2.83Å
32F89.5Confident84Confident0 Ų058 Ų580%033%0.332CS..BIsolated β-bridgetrans-9688.5-176.7-57.8-70.6000111.6S30 D115 Y117 K118 I278 I294 K297 V298S30-F32 PolarHBondContact O-N 2.77Å; S30-F32 PolarHBondContact OG-N 2.88Å; F32-D115 HydrophobicContact CD2-CB 3.6Å; F32-D115 WeakPolarHBondContact CD2-O 3.36Å; F32-D115 HydrophobicContact CE2-CB 3.65Å; F32-D115 WeakPolarHBondContact CE2-O 3.49Å; F32-Y117 HydrophobicContact CB-CD2 4.34Å; F32-Y117 WeakPolarHBondContact O-CD2 3.38Å; F32-Y117 WeakPolarHBondContact O-CE2 3.1Å; F32-K118 PolarHBondContact O-N 3.35Å; F32-I278 HydrophobicContact CB-CG2 4.31Å; F32-I278 HydrophobicContact CD1-CG2 4.11Å; F32-I278 HydrophobicContact CD2-CD1 4.17Å; F32-I278 HydrophobicContact CE1-CD1 4.45Å; F32-I278 HydrophobicContact CE2-CD1 3.89Å; F32-I278 HydrophobicContact CG-CG2 4.08Å; F32-I278 HydrophobicContact CZ-CD1 4.07Å; F32-I294 HydrophobicContact CD1-CB 4.43Å; F32-I294 HydrophobicContact CD1-CG1 4.45Å; F32-I294 HydrophobicContact CD1-CG2 3.79Å; F32-I294 HydrophobicContact CE1-CB 4.22Å; F32-I294 HydrophobicContact CE1-CG2 3.49Å; F32-I294 VanDerWaalsContact CE1-CG2 3.49Å; F32-I294 WeakPolarHBondContact CE1-O 3.34Å; F32-I294 HydrophobicContact CZ-CG2 4.41Å; F32-K297 HydrophobicContact CD1-CB 4.26Å; F32-K297 HydrophobicContact CD1-CD 4.03Å; F32-K297 HydrophobicContact CE1-CB 3.43Å; F32-K297 VanDerWaalsContact CE1-CB 3.43Å; F32-K297 HydrophobicContact CE1-CD 4.03Å; F32-K297 HydrophobicContact CE1-CG 4.39Å; F32-K297 HydrophobicContact CZ-CB 3.78Å; F32-V298 HydrophobicContact CE1-CG2 4.02Å; F32-V298 HydrophobicContact CE2-CG2 4.37Å; F32-V298 HydrophobicContact CZ-CB 4.43Å; F32-V298 HydrophobicContact CZ-CG2 3.45Å; F32-V298 VanDerWaalsContact CZ-CG2 3.45Å
33Q79.6Confident83.7Confident82 Ų8258.6 Ų58.638%0.38333%0.334SS..  trans-117.6157.7-179.6-64178.2-400112.6D27 S30 V31 S35 S36D27-Q33 PolarHBondContact OD1-NE2 3.43Å; D27-Q33 WeakPolarHBondContact OD2-CG 3.49Å; S30-Q33 WeakPolarHBondContact O-CG 3.38Å; S30-Q33 PolarHBondContact O-NE2 3.24Å; V31-Q33 PolarHBondContact O-N 2.85Å; Q33-S35 PolarHBondContact O-N 3.5Å; Q33-S35 VanDerWaalsContact O-N 3.14Å; Q33-S36 PolarHBondContact O-N 2.97Å; Q33-S36 PolarHBondContact O-OG 3.31Å
34R74.2Confident83.5Confident165 Ų16556.4 Ų56.462%0.62332%0.317SS*.G310 helixtrans-53.4-35.3-178.1-174.2178.1-179.8-175.71.5113.5S36 A37R34-S36 PolarHBondContact O-N 3.32Å; R34-A37 PolarHBondContact O-N 3.49Å
35S65.7Low83.2Confident107 Ų10760.8 Ų60.875%0.74832%0.321SS*.G310 helixtrans-57.4-21.1-176550000114.3Q33Q33-S35 PolarHBondContact O-N 3.5Å; Q33-S35 VanDerWaalsContact O-N 3.14Å
36S61.5Low83Confident24 Ų2464.3 Ų64.317%0.16834%0.337CS..G310 helixtrans-93.70.3-176.658.30000115.5Q33 R34 N290 K297Q33-S36 PolarHBondContact O-N 2.97Å; Q33-S36 PolarHBondContact O-OG 3.31Å; R34-S36 PolarHBondContact O-N 3.32Å; S36-N290 WeakPolarHBondContact O-CB 3.44Å; S36-N290 PolarHBondContact O-ND2 3.06Å; S36-K297 PolarHBondContact OG-NZ 3.26Å
37A73.2Confident82.8Confident22 Ų2257.7 Ų57.718%0.18231%0.306CS..  trans-106150.9-167.600000113.7R34 M282 C288R34-A37 PolarHBondContact O-N 3.49Å; A37-M282 HydrophobicContact CB-CE 3.71Å; A37-C288 HydrophobicContact CB-CB 3.4Å; A37-C288 VanDerWaalsContact CB-CB 3.4Å
38A79Confident82.8Confident15 Ų1564.2 Ų64.212%0.12433%0.332CS..EExtended strand (participates in β ladder)trans-97.8140.1173.800000110.2T42 C288 V289A38-T42 HydrophobicContact CB-CG2 4.35Å; A38-C288 CarbonylContact O-C 3.58Å; A38-C288 VanDerWaalsContact O-CA 3.24Å; A38-C288 WeakPolarHBondContact O-CA 3.4Å; A38-V289 PolarHBondContact N-O 3.45Å; A38-V289 PolarHBondContact O-N 2.96Å
39P84Confident82.9Confident69 Ų6968.4 Ų68.445%0.44834%0.344SS..EExtended strand (participates in β ladder)trans-56.8145.4172.7-24.533.7000111.8L41 T42 F43P39-L41 VanDerWaalsContact C-N 3.27Å; P39-L41 PolarHBondContact O-N 2.84Å; P39-L41 VanDerWaalsContact O-N 3.09Å; P39-T42 WeakPolarHBondContact O-CA 3.34Å; P39-T42 WeakPolarHBondContact O-CB 3.36Å; P39-T42 PolarHBondContact O-N 3.49Å; P39-F43 PolarHBondContact O-N 2.89Å
40I82.9Confident82.9Confident16 Ų1671.5 Ų71.58%0.08234%0.342CS..Hα-helixtrans-44.3-47.1-178.1-77.9159.5000113.4T42 F43 V44 L283 G287 I323 F328I40-T42 VanDerWaalsContact C-N 3.33Å; I40-T42 PolarHBondContact O-N 2.98Å; I40-F43 WeakPolarHBondContact O-CB 3.47Å; I40-F43 PolarHBondContact O-N 3.47Å; I40-V44 HydrophobicContact CG2-CG2 4.43Å; I40-V44 WeakPolarHBondContact O-CG2 3.47Å; I40-V44 PolarHBondContact O-N 2.88Å; I40-L283 HydrophobicContact CD1-CD2 4.02Å; I40-L283 HydrophobicContact CG1-CD2 3.74Å; I40-G287 WeakPolarHBondContact CD1-O 3.47Å; I40-G287 VanDerWaalsContact CG1-O 3.23Å; I40-G287 WeakPolarHBondContact CG1-O 3.44Å; I40-G287 PolarHBondContact N-O 3.03Å; I40-G287 VanDerWaalsContact N-O 3.15Å; I40-I323 HydrophobicContact CG1-CD1 4.25Å; I40-I323 HydrophobicContact CG1-CG1 4.11Å; I40-I323 HydrophobicContact CG2-CD1 4.26Å; I40-I323 HydrophobicContact CG2-CG1 4.25Å; I40-I323 HydrophobicContact CG2-CG2 3.51Å; I40-F328 HydrophobicContact CD1-CB 4.2Å; I40-F328 HydrophobicContact CD1-CD2 4.46Å
41L83Confident82.7Confident53 Ų5373 Ų7328%0.27736%0.357SS..Hα-helixtrans-63.8-38.3-179.5-70.5-178.3000112.6P39 R45 K332P39-L41 VanDerWaalsContact C-N 3.27Å; P39-L41 PolarHBondContact O-N 2.84Å; P39-L41 VanDerWaalsContact O-N 3.09Å; L41-R45 VanDerWaalsContact O-CB 3.3Å; L41-R45 WeakPolarHBondContact O-CB 3.34Å; L41-R45 WeakPolarHBondContact O-CG 3.49Å; L41-R45 PolarHBondContact O-N 2.86Å; L41-K332 HydrophobicContact CD1-CD 3.63Å; L41-K332 HydrophobicContact CG-CD 4.15Å
42T85.6Confident82.7Confident52 Ų5274.9 Ų74.932%0.31937%0.365SS..Hα-helixtrans-67.7-40.2176.3-60.30000110.6A38 P39 I40 K46A38-T42 HydrophobicContact CB-CG2 4.35Å; P39-T42 WeakPolarHBondContact O-CA 3.34Å; P39-T42 WeakPolarHBondContact O-CB 3.36Å; P39-T42 PolarHBondContact O-N 3.49Å; I40-T42 VanDerWaalsContact C-N 3.33Å; I40-T42 PolarHBondContact O-N 2.98Å; T42-K46 HydrophobicContact CG2-CD 4.19Å; T42-K46 WeakPolarHBondContact O-CB 3.25Å; T42-K46 VanDerWaalsContact O-CG 3.27Å; T42-K46 WeakPolarHBondContact O-CG 3.28Å; T42-K46 PolarHBondContact O-N 2.82Å
43F84.1Confident82.9Confident13 Ų1380.4 Ų80.46%0.05739%0.394CS..Hα-helixtrans-59.8-53.3174.4178-93000111.4P39 I40 R45 K46 M47 V289 V291 Y316 V319 L320 I323P39-F43 PolarHBondContact O-N 2.89Å; I40-F43 WeakPolarHBondContact O-CB 3.47Å; I40-F43 PolarHBondContact O-N 3.47Å; F43-R45 PolarHBondContact O-N 3.18Å; F43-K46 PolarHBondContact O-N 3.04Å; F43-M47 HydrophobicContact CD1-CG 4.34Å; F43-M47 HydrophobicContact CE1-CG 4.04Å; F43-M47 HydrophobicContact CZ-CG 4.23Å; F43-M47 WeakPolarHBondContact O-CG 3.4Å; F43-M47 PolarHBondContact O-N 3.17Å; F43-V289 HydrophobicContact CD1-CG1 4.47Å; F43-V289 HydrophobicContact CD2-CG1 3.96Å; F43-V289 HydrophobicContact CE2-CG1 4.21Å; F43-V289 HydrophobicContact CG-CG1 4.09Å; F43-V291 HydrophobicContact CE2-CG2 4.18Å; F43-V291 HydrophobicContact CZ-CG2 4.4Å; F43-Y316 AromaticContact CE2-CD1 3.98Å; F43-Y316 HydrophobicContact CE2-CD1 3.98Å; F43-Y316 AromaticContact CE2-CE1 3.56Å; F43-Y316 HydrophobicContact CE2-CE1 3.56Å; F43-Y316 AromaticContact CZ-CD1 3.54Å; F43-Y316 HydrophobicContact CZ-CD1 3.54Å; F43-Y316 AromaticContact CZ-CE1 3.64Å; F43-Y316 HydrophobicContact CZ-CE1 3.64Å; F43-V319 HydrophobicContact CD1-CG1 4.49Å; F43-V319 HydrophobicContact CE1-CG1 3.66Å; F43-V319 HydrophobicContact CE2-CG1 4.43Å; F43-V319 HydrophobicContact CZ-CG1 3.62Å; F43-L320 HydrophobicContact CD1-CD2 4.37Å; F43-L320 HydrophobicContact CE1-CD2 3.77Å; F43-L320 HydrophobicContact CE1-CG 4.17Å; F43-I323 HydrophobicContact CD1-CD1 3.69Å; F43-I323 HydrophobicContact CE1-CD1 3.94Å
44V84.5Confident83.6Confident40 Ų4078.3 Ų78.324%0.24238%0.384CS..Hα-helixtrans-62-42.8179.9174.80000111.8I40 K46 M47 K48 L320 I323I40-V44 HydrophobicContact CG2-CG2 4.43Å; I40-V44 WeakPolarHBondContact O-CG2 3.47Å; I40-V44 PolarHBondContact O-N 2.88Å; V44-K46 PolarHBondContact O-N 3.33Å; V44-M47 WeakPolarHBondContact O-CB 3.47Å; V44-M47 PolarHBondContact O-N 3.05Å; V44-K48 PolarHBondContact O-N 3.24Å; V44-L320 HydrophobicContact CG2-CD2 4.48Å; V44-I323 HydrophobicContact CG2-CD1 4.48Å; V44-I323 HydrophobicContact CG2-CG2 4.12Å
45R87.4Confident84.5Confident172 Ų17270.7 Ų70.765%0.64936%0.356SS*.Hα-helixtrans-62.8-41.7176.5-74.9173.1-177.6165.10.6112.2L41 F43 K48 R49L41-R45 VanDerWaalsContact O-CB 3.3Å; L41-R45 WeakPolarHBondContact O-CB 3.34Å; L41-R45 WeakPolarHBondContact O-CG 3.49Å; L41-R45 PolarHBondContact O-N 2.86Å; F43-R45 PolarHBondContact O-N 3.18Å; R45-K48 PolarHBondContact O-N 3.33Å; R45-R49 WeakPolarHBondContact O-CB 3.48Å; R45-R49 PolarHBondContact O-N 3.13Å
46K85.8Confident85.9Confident96 Ų9668 Ų6842%0.41733%0.332SS..Hα-helixtrans-62.7-44.5175.9-78176.8179.6-179.90111.1T42 F43 V44 R49 R50T42-K46 HydrophobicContact CG2-CD 4.19Å; T42-K46 WeakPolarHBondContact O-CB 3.25Å; T42-K46 VanDerWaalsContact O-CG 3.27Å; T42-K46 WeakPolarHBondContact O-CG 3.28Å; T42-K46 PolarHBondContact O-N 2.82Å; F43-K46 PolarHBondContact O-N 3.04Å; V44-K46 PolarHBondContact O-N 3.33Å; K46-R49 PolarHBondContact O-N 3.17Å; K46-R50 WeakPolarHBondContact O-CB 3.45Å; K46-R50 WeakPolarHBondContact O-CG 3.06Å; K46-R50 PolarHBondContact O-N 2.85Å
47M86.3Confident87.5Confident34 Ų3474.4 Ų74.417%0.16735%0.353CS..Hα-helixtrans-57.8-52.3175.6-75.5-59.7-6600111.9F43 V44 R49 R50 G51 L55 Y316 L320F43-M47 HydrophobicContact CD1-CG 4.34Å; F43-M47 HydrophobicContact CE1-CG 4.04Å; F43-M47 HydrophobicContact CZ-CG 4.23Å; F43-M47 WeakPolarHBondContact O-CG 3.4Å; F43-M47 PolarHBondContact O-N 3.17Å; V44-M47 WeakPolarHBondContact O-CB 3.47Å; V44-M47 PolarHBondContact O-N 3.05Å; M47-R49 VanDerWaalsContact C-N 3.31Å; M47-R49 PolarHBondContact O-N 3.31Å; M47-R50 PolarHBondContact O-N 3.32Å; M47-G51 PolarHBondContact O-N 3.32Å; M47-L55 HydrophobicContact CE-CD1 3.43Å; M47-L55 VanDerWaalsContact CE-CD1 3.43Å; M47-L55 HydrophobicContact CE-CG 4.25Å; M47-L55 HydrophobicContact SD-CD1 3.76Å; M47-L55 HydrophobicContact SD-CD2 3.81Å; M47-L55 HydrophobicContact SD-CG 4.11Å; M47-Y316 HydrophobicContact CE-CD1 3.97Å; M47-Y316 HydrophobicContact SD-CD1 3.61Å; M47-Y316 HydrophobicContact SD-CE1 3.69Å; M47-L320 HydrophobicContact CE-CD1 4.07Å
48K87.5Confident88.5Confident192 Ų19275.4 Ų75.484%0.83535%0.354SS*.Hα-helixtrans-58.8-40.7179-174.6178.6179.4-179.80112.5V44 R45V44-K48 PolarHBondContact O-N 3.24Å; R45-K48 PolarHBondContact O-N 3.33Å
49R91Very high89.3Confident178 Ų17875 Ų7567%0.67235%0.349SS*.Hα-helixtrans-75.7-38.4-176.6-175.8-179.963.8156.6-1.5113.3R45 K46 M47R45-R49 WeakPolarHBondContact O-CB 3.48Å; R45-R49 PolarHBondContact O-N 3.13Å; K46-R49 PolarHBondContact O-N 3.17Å; M47-R49 VanDerWaalsContact C-N 3.31Å; M47-R49 PolarHBondContact O-N 3.31Å
50R89.8Confident89.8Confident110 Ų11075.2 Ų75.242%0.41535%0.347SS..Hα-helixtrans-99.7-22.6-169-63.3-168.9172.7174.1-5.4114.2K46 M47 H54K46-R50 WeakPolarHBondContact O-CB 3.45Å; K46-R50 WeakPolarHBondContact O-CG 3.06Å; K46-R50 PolarHBondContact O-N 2.85Å; M47-R50 PolarHBondContact O-N 3.32Å; R50-H54 HydrophobicContact CB-CB 3.62Å; R50-H54 WeakPolarHBondContact CD-CD2 3.49Å; R50-H54 VanDerWaalsContact CD-NE2 3.27Å; R50-H54 WeakPolarHBondContact CD-NE2 3.46Å; R50-H54 PolarHBondContact NH1-CE1 2.96Å; R50-H54 PolarHBondContact NH1-NE2 3.22Å; R50-H54 WeakPolarHBondContact O-CB 3.45Å
51G90.6Very high90.4Very high32 Ų3276.6 Ų76.633%0.3336%0.355SS..Hα-helixtrans71.3179.5177.400000114.6M47 H54M47-G51 PolarHBondContact O-N 3.32Å; G51-H54 PolarHBondContact O-N 3.08Å
52I92.2Very high90.9Very high101 Ų10174.6 Ų74.652%0.51834%0.344SS..Hα-helixtrans-67.4-39-176.3-66.1175.4000111.3H54 L55 L56 L313I52-H54 PolarHBondContact O-N 3.04Å; I52-H54 VanDerWaalsContact O-N 3.16Å; I52-L55 WeakPolarHBondContact O-CA 3.23Å; I52-L55 VanDerWaalsContact O-CB 3.31Å; I52-L55 WeakPolarHBondContact O-CB 3.22Å; I52-L55 PolarHBondContact O-N 2.92Å; I52-L56 HydrophobicContact CG2-CD1 4.21Å; I52-L56 HydrophobicContact CG2-CG 4.31Å; I52-L56 PolarHBondContact O-N 3.32Å; I52-L313 HydrophobicContact CG2-CD1 3.88Å; I52-L313 HydrophobicContact CG2-CD2 3.84Å
53D93.5Very high91.3Very high115 Ų11574 Ų7462%0.61534%0.341SS*.Hα-helixtrans-60.4-29.1179.7-58.2-25.5000113R57D53-R57 WeakPolarHBondContact O-CG 3.46Å; D53-R57 PolarHBondContact O-N 3.4Å; D53-R57 VanDerWaalsContact O-N 3.12Å; D53-R57 PolarHBondContact O-NE 2.91Å
54H93.6Very high91.7Very high39 Ų3979.6 Ų79.618%0.18137%0.368CS..Hα-helixtrans-69.2-39.2172.4-177.272.3000112.1R50 G51 I52 R57 Q58R50-H54 HydrophobicContact CB-CB 3.62Å; R50-H54 WeakPolarHBondContact CD-CD2 3.49Å; R50-H54 VanDerWaalsContact CD-NE2 3.27Å; R50-H54 WeakPolarHBondContact CD-NE2 3.46Å; R50-H54 PolarHBondContact NH1-CE1 2.96Å; R50-H54 PolarHBondContact NH1-NE2 3.22Å; R50-H54 WeakPolarHBondContact O-CB 3.45Å; G51-H54 PolarHBondContact O-N 3.08Å; I52-H54 PolarHBondContact O-N 3.04Å; I52-H54 VanDerWaalsContact O-N 3.16Å; H54-R57 PolarHBondContact O-N 2.98Å; H54-Q58 WeakPolarHBondContact O-CG 3.46Å; H54-Q58 PolarHBondContact O-N 2.88Å
55L93.5Very high92Very high5 Ų583.8 Ų83.83%0.02638%0.379CS..Hα-helixtrans-64.8-44.1176.7-61.7-172.7000111.3M47 I52 R57 Q58 F59 F312 L313 Y316M47-L55 HydrophobicContact CE-CD1 3.43Å; M47-L55 VanDerWaalsContact CE-CD1 3.43Å; M47-L55 HydrophobicContact CE-CG 4.25Å; M47-L55 HydrophobicContact SD-CD1 3.76Å; M47-L55 HydrophobicContact SD-CD2 3.81Å; M47-L55 HydrophobicContact SD-CG 4.11Å; I52-L55 WeakPolarHBondContact O-CA 3.23Å; I52-L55 VanDerWaalsContact O-CB 3.31Å; I52-L55 WeakPolarHBondContact O-CB 3.22Å; I52-L55 PolarHBondContact O-N 2.92Å; L55-R57 PolarHBondContact O-N 3.48Å; L55-Q58 WeakPolarHBondContact O-CB 3.42Å; L55-Q58 PolarHBondContact O-N 2.86Å; L55-Q58 VanDerWaalsContact O-N 3.12Å; L55-F59 PolarHBondContact O-N 3.46Å; L55-F312 HydrophobicContact CB-CE1 4.11Å; L55-F312 VanDerWaalsContact O-CE1 3.31Å; L55-F312 WeakPolarHBondContact O-CE1 3.47Å; L55-L313 HydrophobicContact CB-CD2 4Å; L55-L313 HydrophobicContact CD1-CD2 3.9Å; L55-Y316 HydrophobicContact CD1-CD1 3.7Å; L55-Y316 HydrophobicContact CD1-CD2 3.91Å; L55-Y316 HydrophobicContact CD1-CE1 4.01Å; L55-Y316 HydrophobicContact CD1-CE2 4.2Å; L55-Y316 HydrophobicContact CD1-CG 3.64Å; L55-Y316 HydrophobicContact CD2-CD1 4.21Å; L55-Y316 HydrophobicContact CD2-CE1 3.63Å; L55-Y316 HydrophobicContact CD2-CE2 4.07Å; L55-Y316 HydrophobicContact CG-CE1 4.47Å
56L94.5Very high92.1Very high49 Ų4976.4 Ų76.426%0.25735%0.352SS..Hα-helixtrans-58.1-48.8176.6-67.2177.6000110.9I52 Q58 F59 D60 P309 L313I52-L56 HydrophobicContact CG2-CD1 4.21Å; I52-L56 HydrophobicContact CG2-CG 4.31Å; I52-L56 PolarHBondContact O-N 3.32Å; L56-Q58 VanDerWaalsContact C-N 3.28Å; L56-Q58 PolarHBondContact O-N 3.05Å; L56-F59 WeakPolarHBondContact O-CA 3.4Å; L56-F59 WeakPolarHBondContact O-CB 3.49Å; L56-F59 PolarHBondContact O-N 2.84Å; L56-D60 VanDerWaalsContact O-CG 3.28Å; L56-D60 PolarHBondContact O-N 2.95Å; L56-P309 HydrophobicContact CD2-CB 3.49Å; L56-P309 VanDerWaalsContact CD2-CB 3.49Å; L56-L313 HydrophobicContact CD2-CD1 3.86Å; L56-L313 HydrophobicContact CD2-CD2 4.29Å; L56-L313 HydrophobicContact CD2-CG 4.05Å; L56-L313 HydrophobicContact CG-CD1 4.47Å
57R95.4Very high92.2Very high160 Ų16078.3 Ų78.360%0.60437%0.366SS*.Hα-helixtrans-59.3-35174.1-75.1-176.7-69.2-172.5-2.7114D53 H54 L55 F59 D61D53-R57 WeakPolarHBondContact O-CG 3.46Å; D53-R57 PolarHBondContact O-N 3.4Å; D53-R57 VanDerWaalsContact O-N 3.12Å; D53-R57 PolarHBondContact O-NE 2.91Å; H54-R57 PolarHBondContact O-N 2.98Å; L55-R57 PolarHBondContact O-N 3.48Å; R57-F59 VanDerWaalsContact C-N 3.35Å; R57-D61 WeakPolarHBondContact O-CB 3.39Å; R57-D61 PolarHBondContact O-N 3.4Å
58Q94.1Very high92.4Very high43 Ų4380.3 Ų80.320%0.20138%0.377CS..Hα-helixtrans-67.4-37.6174.3-73.2-175.4-57.200111.8H54 L55 L56 M62 V292H54-Q58 WeakPolarHBondContact O-CG 3.46Å; H54-Q58 PolarHBondContact O-N 2.88Å; L55-Q58 WeakPolarHBondContact O-CB 3.42Å; L55-Q58 PolarHBondContact O-N 2.86Å; L55-Q58 VanDerWaalsContact O-N 3.12Å; L56-Q58 VanDerWaalsContact C-N 3.28Å; L56-Q58 PolarHBondContact O-N 3.05Å; Q58-M62 WeakPolarHBondContact O-CE 3.34Å; Q58-M62 WeakPolarHBondContact O-CG 3.39Å; Q58-M62 PolarHBondContact O-N 2.82Å; Q58-M62 VanDerWaalsContact O-N 3.17Å; Q58-V292 HydrophobicContact CB-CG2 4.4Å
59F95.6Very high92.4Very high5 Ų576 Ų762%0.02237%0.369CS..Hα-helixtrans-65.7-46174.6-175.2-98.3000111.3L55 L56 R57 M62 C63 L295 V306 P309 F312L55-F59 PolarHBondContact O-N 3.46Å; L56-F59 WeakPolarHBondContact O-CA 3.4Å; L56-F59 WeakPolarHBondContact O-CB 3.49Å; L56-F59 PolarHBondContact O-N 2.84Å; R57-F59 VanDerWaalsContact C-N 3.35Å; F59-M62 HydrophobicContact CB-CE 4.45Å; F59-M62 HydrophobicContact CD2-CE 4.26Å; F59-M62 WeakPolarHBondContact O-CB 3.29Å; F59-M62 PolarHBondContact O-N 3Å; F59-C63 PolarHBondContact O-N 3.29Å; F59-C63 PolarHBondContact O-SG 2.96Å; F59-L295 HydrophobicContact CD2-CD2 4.31Å; F59-L295 HydrophobicContact CE2-CD2 4.4Å; F59-V306 HydrophobicContact CE2-CB 4.36Å; F59-V306 HydrophobicContact CE2-CG1 3.94Å; F59-V306 WeakPolarHBondContact CE2-O 3.3Å; F59-V306 WeakPolarHBondContact CZ-O 3.39Å; F59-P309 HydrophobicContact CD1-CB 4.08Å; F59-P309 HydrophobicContact CE1-CB 4.37Å; F59-F312 HydrophobicContact CB-CD1 3.71Å; F59-F312 HydrophobicContact CB-CE1 3.89Å; F59-F312 HydrophobicContact CB-CG 4.2Å; F59-F312 HydrophobicContact CB-CZ 4.5Å; F59-F312 HydrophobicContact CD2-CB 3.59Å; F59-F312 HydrophobicContact CD2-CD1 4Å; F59-F312 AromaticContact CD2-CD2 3.89Å; F59-F312 HydrophobicContact CD2-CD2 3.89Å; F59-F312 HydrophobicContact CD2-CE2 4.48Å; F59-F312 AromaticContact CD2-CG 3.57Å; F59-F312 HydrophobicContact CD2-CG 3.57Å; F59-F312 HydrophobicContact CE2-CB 3.95Å; F59-F312 HydrophobicContact CE2-CG 4.34Å; F59-F312 HydrophobicContact CG-CB 4.2Å; F59-F312 HydrophobicContact CG-CD1 4.15Å; F59-F312 HydrophobicContact CG-CG 4.16Å
60D95.7Very high92.3Very high74 Ų7472 Ų7240%0.39637%0.368SS..Hα-helixtrans-61.8-46.7178.1-60-27000111.2L56 M62 C63 E64L56-D60 VanDerWaalsContact O-CG 3.28Å; L56-D60 PolarHBondContact O-N 2.95Å; D60-M62 VanDerWaalsContact C-N 3.28Å; D60-M62 PolarHBondContact O-N 3.47Å; D60-C63 WeakPolarHBondContact O-CB 3.34Å; D60-C63 PolarHBondContact O-N 3.39Å; D60-E64 WeakPolarHBondContact O-CG 3.48Å; D60-E64 PolarHBondContact O-N 3.22Å
61D94.8Very high92.2Very high46 Ų4670.4 Ų70.425%0.24637%0.368CS..Hα-helixtrans-55.5-39.8173.6166.382.8000112.3R57 R65 R296R57-D61 WeakPolarHBondContact O-CB 3.39Å; R57-D61 PolarHBondContact O-N 3.4Å; D61-R65 WeakPolarHBondContact O-CB 3.19Å; D61-R65 WeakPolarHBondContact O-CG 3.29Å; D61-R65 PolarHBondContact O-N 3.36Å; D61-R65 IonicContact OD1-CZ 3.95Å; D61-R65 IonicContact OD1-NE 2.72Å; D61-R65 PolarHBondContact OD1-NE 3.4Å; D61-R65 IonicContact OD1-NH2 2.7Å; D61-R65 PolarHBondContact OD1-NH2 2.95Å; D61-R65 IonicContact OD2-CZ 3.4Å; D61-R65 IonicContact OD2-NE 3.73Å; D61-R65 PolarHBondContact OD2-NE 3.15Å; D61-R65 IonicContact OD2-NH2 3.04Å; D61-R296 IonicContact OD2-NH2 2.75Å; D61-R296 PolarHBondContact OD2-NH2 3.01Å
62M93.6Very high92.2Very high10 Ų1070.4 Ų70.45%0.04936%0.362CS..Hα-helixtrans-67.3-40.8176.2-74.1-177-63.200112.2Q58 F59 D60 E66 V292 L295 R296 F312Q58-M62 WeakPolarHBondContact O-CE 3.34Å; Q58-M62 WeakPolarHBondContact O-CG 3.39Å; Q58-M62 PolarHBondContact O-N 2.82Å; Q58-M62 VanDerWaalsContact O-N 3.17Å; F59-M62 HydrophobicContact CB-CE 4.45Å; F59-M62 HydrophobicContact CD2-CE 4.26Å; F59-M62 WeakPolarHBondContact O-CB 3.29Å; F59-M62 PolarHBondContact O-N 3Å; D60-M62 VanDerWaalsContact C-N 3.28Å; D60-M62 PolarHBondContact O-N 3.47Å; M62-E66 PolarHBondContact O-N 2.8Å; M62-V292 HydrophobicContact CE-CG1 4.43Å; M62-V292 HydrophobicContact SD-CG1 3.91Å; M62-L295 HydrophobicContact CE-CD2 3.64Å; M62-L295 HydrophobicContact CE-CG 4.34Å; M62-L295 HydrophobicContact SD-CB 4.46Å; M62-L295 HydrophobicContact SD-CD2 4.25Å; M62-L295 HydrophobicContact SD-CG 4.31Å; M62-R296 HydrophobicContact CG-CG 4.1Å; M62-R296 HydrophobicContact SD-CG 3.58Å; M62-R296 VanDerWaalsContact SD-CG 3.58Å; M62-F312 HydrophobicContact CE-CE2 3.87Å; M62-F312 HydrophobicContact CE-CZ 3.87Å
63C93.4Very high92.3Very high40 Ų4068.8 Ų68.827%0.2735%0.354SS..Hα-helixtrans-67.1-43.4177.5-71.10000111.7F59 D60 E66F59-C63 PolarHBondContact O-N 3.29Å; F59-C63 PolarHBondContact O-SG 2.96Å; D60-C63 WeakPolarHBondContact O-CB 3.34Å; D60-C63 PolarHBondContact O-N 3.39Å; C63-E66 PolarHBondContact O-N 2.78Å
64E93.4Very high92.5Very high131 Ų13167.5 Ų67.561%0.61235%0.352SS*.Hα-helixtrans-63.7-44.3178.1-73.5176.7179.500111.9D60 E66 L67D60-E64 WeakPolarHBondContact O-CG 3.48Å; D60-E64 PolarHBondContact O-N 3.22Å; E64-E66 PolarHBondContact O-N 3.24Å; E64-L67 VanDerWaalsContact O-CB 3.27Å; E64-L67 WeakPolarHBondContact O-CB 3.41Å; E64-L67 PolarHBondContact O-N 2.51Å
65R91.5Very high92.6Very high128 Ų12866.4 Ų66.448%0.48335%0.348SS..Hα-helixtrans-59.3-33.7177.3-75.6172.4-169.8-110.4-5113D61 L67 D68 N71D61-R65 WeakPolarHBondContact O-CB 3.19Å; D61-R65 WeakPolarHBondContact O-CG 3.29Å; D61-R65 PolarHBondContact O-N 3.36Å; D61-R65 IonicContact OD1-CZ 3.95Å; D61-R65 IonicContact OD1-NE 2.72Å; D61-R65 PolarHBondContact OD1-NE 3.4Å; D61-R65 IonicContact OD1-NH2 2.7Å; D61-R65 PolarHBondContact OD1-NH2 2.95Å; D61-R65 IonicContact OD2-CZ 3.4Å; D61-R65 IonicContact OD2-NE 3.73Å; D61-R65 PolarHBondContact OD2-NE 3.15Å; D61-R65 IonicContact OD2-NH2 3.04Å; R65-L67 PolarHBondContact O-N 3.46Å; R65-D68 PolarHBondContact O-N 2.57Å; R65-N71 VanDerWaalsContact O-CB 3.28Å; R65-N71 WeakPolarHBondContact O-CB 3.3Å; R65-N71 PolarHBondContact O-ND2 2.88Å; R65-N71 VanDerWaalsContact O-ND2 3.12Å
66E88.9Confident92.7Very high16 Ų1672 Ų728%0.07537%0.372CS..THydrogen-bonded Turntrans-71.8-11.2177.3-81.1-164.9177.100114.9M62 C63 E64 D68 T72 R299 R303 H304M62-E66 PolarHBondContact O-N 2.8Å; C63-E66 PolarHBondContact O-N 2.78Å; E64-E66 PolarHBondContact O-N 3.24Å; E66-D68 VanDerWaalsContact C-N 3.34Å; E66-T72 WeakPolarHBondContact O-CG2 3.26Å; E66-R299 WeakPolarHBondContact OE1-CB 3.47Å; E66-R299 IonicContact OE1-CZ 3.97Å; E66-R299 IonicContact OE1-NE 3.81Å; E66-R299 PolarHBondContact OE1-NE 2.84Å; E66-R299 IonicContact OE1-NH2 3.6Å; E66-R299 PolarHBondContact OE1-NH2 2.87Å; E66-R299 IonicContact OE2-CZ 2.87Å; E66-R299 IonicContact OE2-NE 2.98Å; E66-R299 PolarHBondContact OE2-NE 3.37Å; E66-R299 IonicContact OE2-NH2 2.61Å; E66-R299 PolarHBondContact OE2-NH2 2.97Å; E66-R303 PolarHBondContact O-NH2 3.34Å; E66-H304 IonicContact OE2-CE1 4Å; E66-H304 IonicContact OE2-CG 3.5Å; E66-H304 IonicContact OE2-ND1 3.23Å; E66-H304 PolarHBondContact OE2-ND1 3.35Å
67L87.9Confident92.8Very high137 Ų13770.1 Ų70.172%0.71736%0.364SS*.THydrogen-bonded Turntrans-77-25.8172.4-57.3177.6000111.5E64 R65 P69E64-L67 VanDerWaalsContact O-CB 3.27Å; E64-L67 WeakPolarHBondContact O-CB 3.41Å; E64-L67 PolarHBondContact O-N 2.51Å; R65-L67 PolarHBondContact O-N 3.46Å; L67-P69 WeakPolarHBondContact O-CD 3.48Å
68D89.6Confident92.9Very high75 Ų7563.1 Ų63.140%0.40134%0.337SS..SBendtrans-80.2116.4175.1179.7-11.4000109.9R65 E66 S70 N71R65-D68 PolarHBondContact O-N 2.57Å; E66-D68 VanDerWaalsContact C-N 3.34Å; D68-S70 PolarHBondContact O-N 2.97Å; D68-S70 VanDerWaalsContact O-N 3.09Å; D68-S70 VanDerWaalsContact OD1-CB 3.31Å; D68-S70 WeakPolarHBondContact OD1-CB 3.02Å; D68-S70 PolarHBondContact OD1-N 2.74Å; D68-S70 PolarHBondContact OD1-OG 3.05Å; D68-S70 PolarHBondContact OD2-OG 3.24Å; D68-N71 PolarHBondContact O-N 3Å
69P87Confident92.9Very high101 Ų10167 Ų6766%0.65636%0.356SS*.G310 helixtrans-55.4-28.7179.7-26.235.9000113.9L67 N71 T72L67-P69 WeakPolarHBondContact O-CD 3.48Å; P69-N71 PolarHBondContact O-N 3.09Å; P69-T72 WeakPolarHBondContact CA-OG1 3.19Å; P69-T72 PolarHBondContact O-N 2.81Å; P69-T72 PolarHBondContact O-OG1 3.28Å
70S89.9Confident93Very high95 Ų9572.7 Ų72.766%0.66438%0.382SS*.G310 helixtrans-66.1-19.517973.20000113.6D68D68-S70 PolarHBondContact O-N 2.97Å; D68-S70 VanDerWaalsContact O-N 3.09Å; D68-S70 VanDerWaalsContact OD1-CB 3.31Å; D68-S70 WeakPolarHBondContact OD1-CB 3.02Å; D68-S70 PolarHBondContact OD1-N 2.74Å; D68-S70 PolarHBondContact OD1-OG 3.05Å; D68-S70 PolarHBondContact OD2-OG 3.24Å
71N87.7Confident93Very high76 Ų7670.8 Ų70.841%0.40637%0.372SS..G310 helixtrans-96.58.6175.3-64-54.1000113R65 D68 P69R65-N71 VanDerWaalsContact O-CB 3.28Å; R65-N71 WeakPolarHBondContact O-CB 3.3Å; R65-N71 PolarHBondContact O-ND2 2.88Å; R65-N71 VanDerWaalsContact O-ND2 3.12Å; D68-N71 PolarHBondContact O-N 3Å; P69-N71 PolarHBondContact O-N 3.09Å
72T91.1Very high93Very high33 Ų3372.7 Ų72.720%0.20239%0.387CS..SBendtrans-119.5154-175.366.80000111.9E66 P69E66-T72 WeakPolarHBondContact O-CG2 3.26Å; P69-T72 WeakPolarHBondContact CA-OG1 3.19Å; P69-T72 PolarHBondContact O-N 2.81Å; P69-T72 PolarHBondContact O-OG1 3.28Å
73L94.5Very high93Very high66 Ų6676.8 Ų76.835%0.34642%0.417SS..  trans-90.7162.2174.8-56.9173.9000110.5Y93 L300L73-Y93 HydrophobicContact CB-CD1 3.53Å; L73-Y93 HydrophobicContact CB-CD2 4.36Å; L73-Y93 HydrophobicContact CB-CE1 3.9Å; L73-Y93 HydrophobicContact CB-CG 3.79Å; L73-Y93 HydrophobicContact CD1-CD2 4.18Å; L73-Y93 HydrophobicContact CD1-CG 4.26Å; L73-Y93 HydrophobicContact CG-CD1 4.5Å; L73-Y93 HydrophobicContact CG-CG 4.47Å; L73-Y93 VanDerWaalsContact N-CE1 3.31Å; L73-Y93 WeakPolarHBondContact O-CD1 3.3Å; L73-Y93 VanDerWaalsContact O-CE1 3.26Å; L73-Y93 WeakPolarHBondContact O-CE1 3.48Å; L73-L300 WeakPolarHBondContact CD1-O 3.44Å
74P96.2Very high93Very high89 Ų8976.4 Ų76.458%0.57841%0.412SS*.  trans-55.1143.2176.6-27.736.6000113.7Y93 D94P74-Y93 WeakPolarHBondContact O-CA 3.26Å; P74-D94 VanDerWaalsContact C-OD2 3.3Å; P74-D94 WeakPolarHBondContact CB-OD2 3.19Å; P74-D94 PolarHBondContact O-N 2.85Å
75T96.1Very high92.9Very high15 Ų1570.8 Ų70.89%0.09239%0.386CS..  trans-130.933.9-179.7680000111.5A77 F78 Q79 Y91 L92 Y93 D94T75-A77 PolarHBondContact O-N 2.99Å; T75-F78 WeakPolarHBondContact O-CB 2.93Å; T75-F78 PolarHBondContact O-N 3.09Å; T75-Q79 WeakPolarHBondContact O-CG 3.18Å; T75-Q79 PolarHBondContact O-N 3.5Å; T75-Y91 HydrophobicContact CG2-CD1 4.32Å; T75-L92 VanDerWaalsContact CB-O 3.26Å; T75-L92 WeakPolarHBondContact CB-O 3.43Å; T75-L92 WeakPolarHBondContact CG2-O 3.21Å; T75-Y93 HydrophobicContact CG2-CD1 3.68Å; T75-Y93 HydrophobicContact CG2-CE1 4.01Å; T75-D94 PolarHBondContact N-OD2 3.33Å
76K96.8Very high92.8Very high124 Ų12466.9 Ų66.954%0.53937%0.371SS..Hα-helixtrans-61.1-45.6-172.9-179.1179.2171.8-177.60111.5F78 Q79 E80 D94K76-F78 VanDerWaalsContact C-N 3.27Å; K76-F78 PolarHBondContact O-N 3.2Å; K76-Q79 PolarHBondContact O-N 2.6Å; K76-E80 VanDerWaalsContact CE-CD 3.46Å; K76-E80 WeakPolarHBondContact CE-OE1 3.38Å; K76-E80 HydrophobicContact CG-CG 4.35Å; K76-E80 IonicContact NZ-OE1 3.17Å; K76-E80 WeakPolarHBondContact O-CG 3.22Å; K76-E80 PolarHBondContact O-N 3.38Å; K76-D94 WeakPolarHBondContact CB-OD2 3.35Å; K76-D94 VanDerWaalsContact N-CG 3.32Å; K76-D94 PolarHBondContact N-OD1 2.97Å; K76-D94 VanDerWaalsContact N-OD1 3.15Å; K76-D94 PolarHBondContact N-OD2 3.31Å
77A96.6Very high92.8Very high9 Ų969.5 Ų69.57%0.07438%0.381CS..Hα-helixtrans-62.4-36.4-179.300000111.9T75 E80 N81 D94 Y108T75-A77 PolarHBondContact O-N 2.99Å; A77-E80 PolarHBondContact O-N 3.37Å; A77-N81 WeakPolarHBondContact O-CB 3.47Å; A77-N81 PolarHBondContact O-N 3.1Å; A77-N81 PolarHBondContact O-ND2 2.86Å; A77-D94 VanDerWaalsContact CB-OD1 3.23Å; A77-D94 WeakPolarHBondContact CB-OD1 3.23Å; A77-D94 PolarHBondContact N-OD1 3.37Å; A77-Y108 HydrophobicContact CB-CD2 3.94Å; A77-Y108 HydrophobicContact CB-CE2 4.07Å; A77-Y108 WeakPolarHBondContact O-CE2 3.37Å
78F95.8Very high93Very high12 Ų1273.7 Ų73.75%0.05339%0.387CS..Hα-helixtrans-60.7-44.8173.3176.1-102.3000111.9T75 K76 N81 N85 R88 V90 Y91 L92 H110T75-F78 WeakPolarHBondContact O-CB 2.93Å; T75-F78 PolarHBondContact O-N 3.09Å; K76-F78 VanDerWaalsContact C-N 3.27Å; K76-F78 PolarHBondContact O-N 3.2Å; F78-N81 PolarHBondContact O-N 3.14Å; F78-N85 WeakPolarHBondContact CD2-ND2 3.31Å; F78-N85 HydrophobicContact CE2-CB 3.91Å; F78-N85 VanDerWaalsContact CE2-CG 3.46Å; F78-N85 WeakPolarHBondContact CE2-ND2 3.46Å; F78-N85 PolarHBondContact O-ND2 2.84Å; F78-R88 WeakPolarHBondContact CZ-O 3.25Å; F78-V90 WeakPolarHBondContact CE2-O 3.11Å; F78-Y91 AromaticContact CD1-CD1 3.4Å; F78-Y91 HydrophobicContact CD1-CD1 3.4Å; F78-Y91 VanDerWaalsContact CD1-CD1 3.4Å; F78-Y91 AromaticContact CD1-CE1 3.86Å; F78-Y91 HydrophobicContact CD1-CE1 3.86Å; F78-Y91 HydrophobicContact CD1-CG 4.11Å; F78-Y91 AromaticContact CE1-CD1 3.41Å; F78-Y91 HydrophobicContact CE1-CD1 3.41Å; F78-Y91 VanDerWaalsContact CE1-CD1 3.41Å; F78-Y91 AromaticContact CE1-CE1 3.61Å; F78-Y91 HydrophobicContact CE1-CE1 3.61Å; F78-Y91 AromaticContact CE1-CG 3.9Å; F78-Y91 HydrophobicContact CE1-CG 3.9Å; F78-Y91 HydrophobicContact CG-CD1 4.34Å; F78-Y91 HydrophobicContact CZ-CD1 4.35Å; F78-Y91 HydrophobicContact CZ-CG 4.43Å; F78-L92 HydrophobicContact CB-CD2 3.61Å; F78-L92 HydrophobicContact CB-CG 4.13Å; F78-L92 HydrophobicContact CD2-CD2 3.47Å; F78-L92 VanDerWaalsContact CD2-CD2 3.47Å; F78-L92 HydrophobicContact CG-CD2 3.97Å; F78-H110 AromaticContact CD2-CD2 3.86Å; F78-H110 AromaticContact CD2-NE2 3.82Å; F78-H110 AromaticContact CE2-CD2 3.82Å; F78-H110 AromaticContact CE2-NE2 3.66Å
79Q96Very high93Very high126 Ų12675.4 Ų75.459%0.58940%0.396SS*.Hα-helixtrans-69.7-34.7-177.6-68.3169.8-16.300112.2T75 K76 N81T75-Q79 WeakPolarHBondContact O-CG 3.18Å; T75-Q79 PolarHBondContact O-N 3.5Å; K76-Q79 PolarHBondContact O-N 2.6Å; Q79-N81 VanDerWaalsContact C-N 3.33Å
80E96.9Very high93.2Very high123 Ų12371 Ų7158%0.57537%0.368SS*.Hα-helixtrans-77-16.3179.1-70.3177.1158.100113.4K76 A77 P82K76-E80 VanDerWaalsContact CE-CD 3.46Å; K76-E80 WeakPolarHBondContact CE-OE1 3.38Å; K76-E80 HydrophobicContact CG-CG 4.35Å; K76-E80 IonicContact NZ-OE1 3.17Å; K76-E80 WeakPolarHBondContact O-CG 3.22Å; K76-E80 PolarHBondContact O-N 3.38Å; A77-E80 PolarHBondContact O-N 3.37Å; E80-P82 WeakPolarHBondContact O-CD 3.36Å
81N96Very high93.4Very high34 Ų3470.1 Ų70.118%0.18235%0.35CS..  trans-12151.4-176.4-66.4-82.6000113.8A77 F78 Q79 S83 L84 N85 Y108A77-N81 WeakPolarHBondContact O-CB 3.47Å; A77-N81 PolarHBondContact O-N 3.1Å; A77-N81 PolarHBondContact O-ND2 2.86Å; F78-N81 PolarHBondContact O-N 3.14Å; Q79-N81 VanDerWaalsContact C-N 3.33Å; N81-S83 VanDerWaalsContact C-N 3.28Å; N81-S83 PolarHBondContact O-N 3.23Å; N81-L84 HydrophobicContact CB-CB 4.38Å; N81-L84 HydrophobicContact CB-CD1 4.15Å; N81-L84 HydrophobicContact CB-CG 4.4Å; N81-L84 PolarHBondContact O-N 3.14Å; N81-L84 VanDerWaalsContact O-N 3.1Å; N81-N85 PolarHBondContact O-ND2 2.85Å; N81-N85 VanDerWaalsContact O-ND2 3.09Å; N81-Y108 HydrophobicContact CB-CD1 3.47Å; N81-Y108 VanDerWaalsContact CB-CD1 3.47Å; N81-Y108 HydrophobicContact CB-CD2 4.1Å; N81-Y108 HydrophobicContact CB-CE1 3.6Å; N81-Y108 HydrophobicContact CB-CE2 4.23Å; N81-Y108 HydrophobicContact CB-CG 3.7Å
82P94.2Very high93.6Very high87 Ų8766.5 Ų66.557%0.56533%0.331SS*.G310 helixtrans-63.3-29.2-171.127-35.7000114.1E80 L84 N85E80-P82 WeakPolarHBondContact O-CD 3.36Å; P82-L84 VanDerWaalsContact C-N 3.31Å; P82-N85 PolarHBondContact O-N 2.87Å
83S93.3Very high93.9Very high96 Ų9665 Ų6567%0.67132%0.322SS*.G310 helixtrans-74.5-18.5178.754.30000113.8N81 N85 N129N81-S83 VanDerWaalsContact C-N 3.28Å; N81-S83 PolarHBondContact O-N 3.23Å; S83-N85 VanDerWaalsContact C-N 3.32Å; S83-N129 PolarHBondContact O-ND2 2.7Å
84L93.2Very high94Very high31 Ų3163.8 Ų63.816%0.16232%0.316CS..G310 helixtrans-93.75.1179.8-51.9-179000111.8N81 P82 P106 Y108 N129 T130N81-L84 HydrophobicContact CB-CB 4.38Å; N81-L84 HydrophobicContact CB-CD1 4.15Å; N81-L84 HydrophobicContact CB-CG 4.4Å; N81-L84 PolarHBondContact O-N 3.14Å; N81-L84 VanDerWaalsContact O-N 3.1Å; P82-L84 VanDerWaalsContact C-N 3.31Å; L84-P106 HydrophobicContact CD1-CB 4.29Å; L84-P106 HydrophobicContact CD1-CG 3.95Å; L84-Y108 HydrophobicContact CB-CD1 3.73Å; L84-Y108 HydrophobicContact CB-CE1 3.72Å; L84-Y108 HydrophobicContact CD1-CD1 3.64Å; L84-Y108 HydrophobicContact CD1-CE1 4.47Å; L84-Y108 HydrophobicContact CD1-CG 4.43Å; L84-Y108 HydrophobicContact CG-CD1 4.29Å; L84-N129 WeakPolarHBondContact O-CB 3.36Å; L84-T130 HydrophobicContact CB-CG2 4.33Å; L84-T130 HydrophobicContact CD2-CG2 3.74Å
85N92.1Very high94.1Very high13 Ų1363.8 Ų63.87%0.0732%0.323CS..  trans-108.7118.6-176.4-61-30.1000110.8F78 N81 P82 S83 Y87 Y108 H110F78-N85 WeakPolarHBondContact CD2-ND2 3.31Å; F78-N85 HydrophobicContact CE2-CB 3.91Å; F78-N85 VanDerWaalsContact CE2-CG 3.46Å; F78-N85 WeakPolarHBondContact CE2-ND2 3.46Å; F78-N85 PolarHBondContact O-ND2 2.84Å; N81-N85 PolarHBondContact O-ND2 2.85Å; N81-N85 VanDerWaalsContact O-ND2 3.09Å; P82-N85 PolarHBondContact O-N 2.87Å; S83-N85 VanDerWaalsContact C-N 3.32Å; N85-Y87 VanDerWaalsContact C-N 3.28Å; N85-Y87 PolarHBondContact O-N 3.41Å; N85-Y108 WeakPolarHBondContact OD1-CE1 3.25Å; N85-Y108 PolarHBondContact OD1-OH 2.92Å; N85-H110 PolarHBondContact OD1-CD2 3.12Å; N85-H110 VanDerWaalsContact OD1-CD2 3.28Å
86R88.8Confident94.2Very high47 Ų4763.7 Ų63.718%0.17732%0.323CS..SBendtrans-62.1-37.1176-168.5172.7-173.8-173.27.2112.9N129 K159 S264R86-N129 WeakPolarHBondContact CA-OD1 3.32Å; R86-N129 HydrophobicContact CB-CB 4.04Å; R86-K159 PolarHBondContact NH1-O 3.46Å; R86-K159 PolarHBondContact NH2-O 3.03Å; R86-S264 PolarHBondContact NH1-O 2.76Å
87Y89.7Confident94.2Very high71 Ų7160.2 Ų60.228%0.27831%0.306SS..  trans-130.4124.6-177.1-58.5-70.8000110.6N85 N89 V90 S264 A265N85-Y87 VanDerWaalsContact C-N 3.28Å; N85-Y87 PolarHBondContact O-N 3.41Å; Y87-N89 PolarHBondContact O-N 3.33Å; Y87-V90 HydrophobicContact CD2-CG2 4.2Å; Y87-V90 HydrophobicContact CG-CG2 4.16Å; Y87-V90 PolarHBondContact O-N 3.03Å; Y87-S264 PolarHBondContact OH-OG 3.29Å; Y87-S264 VanDerWaalsContact OH-OG 3.1Å; Y87-A265 HydrophobicContact CD2-CB 3.75Å; Y87-A265 HydrophobicContact CE2-CB 3.58Å
88R91Very high94.2Very high224 Ų22459.8 Ų59.885%0.84530%0.303SS*.THydrogen-bonded Turntrans-68.5-19.5-179.5-63.4-176.4-178.6-177.40.1114F78F78-R88 WeakPolarHBondContact CZ-O 3.25Å
89N90.3Very high94.4Very high111 Ų11161.3 Ų61.359%0.59431%0.313SS*.THydrogen-bonded Turntrans-102.93.8-178.966.7-33.9000113.6Y87Y87-N89 PolarHBondContact O-N 3.33Å
90V91.5Very high94.5Very high10 Ų1055.6 Ų55.66%0.06129%0.286CS..  trans-105.589.3175.4-178.70000107.3F78 Y87 H110 A265 V267F78-V90 WeakPolarHBondContact CE2-O 3.11Å; Y87-V90 HydrophobicContact CD2-CG2 4.2Å; Y87-V90 HydrophobicContact CG-CG2 4.16Å; Y87-V90 PolarHBondContact O-N 3.03Å; V90-H110 PolarHBondContact O-CE1 3.09Å; V90-H110 PolarHBondContact O-NE2 3Å; V90-A265 HydrophobicContact CG2-CB 4.35Å; V90-V267 HydrophobicContact CG1-CG1 3.73Å; V90-V267 HydrophobicContact CG1-CG2 4.44Å
91Y92.9Very high94.5Very high76 Ų7654.9 Ų54.930%0.29829%0.287SS..  trans-75.7155.9-179.4-61.5-105.3000111.2T75 F78 R303 H304T75-Y91 HydrophobicContact CG2-CD1 4.32Å; F78-Y91 AromaticContact CD1-CD1 3.4Å; F78-Y91 HydrophobicContact CD1-CD1 3.4Å; F78-Y91 VanDerWaalsContact CD1-CD1 3.4Å; F78-Y91 AromaticContact CD1-CE1 3.86Å; F78-Y91 HydrophobicContact CD1-CE1 3.86Å; F78-Y91 HydrophobicContact CD1-CG 4.11Å; F78-Y91 AromaticContact CE1-CD1 3.41Å; F78-Y91 HydrophobicContact CE1-CD1 3.41Å; F78-Y91 VanDerWaalsContact CE1-CD1 3.41Å; F78-Y91 AromaticContact CE1-CE1 3.61Å; F78-Y91 HydrophobicContact CE1-CE1 3.61Å; F78-Y91 AromaticContact CE1-CG 3.9Å; F78-Y91 HydrophobicContact CE1-CG 3.9Å; F78-Y91 HydrophobicContact CG-CD1 4.34Å; F78-Y91 HydrophobicContact CZ-CD1 4.35Å; F78-Y91 HydrophobicContact CZ-CG 4.43Å; Y91-R303 VanDerWaalsContact CG-NH1 3.29Å; Y91-H304 AromaticContact CD2-NE2 3.93Å
92L93.9Very high94.4Very high0 Ų055.7 Ų55.70%029%0.291CS..  trans-117.6154.4162.368.3141.8000110T75 F78 R97 Y108 H110T75-L92 VanDerWaalsContact CB-O 3.26Å; T75-L92 WeakPolarHBondContact CB-O 3.43Å; T75-L92 WeakPolarHBondContact CG2-O 3.21Å; F78-L92 HydrophobicContact CB-CD2 3.61Å; F78-L92 HydrophobicContact CB-CG 4.13Å; F78-L92 HydrophobicContact CD2-CD2 3.47Å; F78-L92 VanDerWaalsContact CD2-CD2 3.47Å; F78-L92 HydrophobicContact CG-CD2 3.97Å; L92-R97 HydrophobicContact CD1-CB 3.44Å; L92-R97 VanDerWaalsContact CD1-CB 3.44Å; L92-Y108 HydrophobicContact CD1-CE2 4.08Å; L92-Y108 HydrophobicContact CD2-CE2 3.89Å; L92-Y108 WeakPolarHBondContact CD2-OH 3.39Å; L92-H110 HydrophobicContact CD2-CB 4.42Å
93Y96.5Very high94.4Very high1 Ų160.9 Ų60.90%0.00430%0.304CS..  trans-89141.2173-63.7-50.7000111.1L73 P74 T75 A95 S96 R97 R299 L300 R303L73-Y93 HydrophobicContact CB-CD1 3.53Å; L73-Y93 HydrophobicContact CB-CD2 4.36Å; L73-Y93 HydrophobicContact CB-CE1 3.9Å; L73-Y93 HydrophobicContact CB-CG 3.79Å; L73-Y93 HydrophobicContact CD1-CD2 4.18Å; L73-Y93 HydrophobicContact CD1-CG 4.26Å; L73-Y93 HydrophobicContact CG-CD1 4.5Å; L73-Y93 HydrophobicContact CG-CG 4.47Å; L73-Y93 VanDerWaalsContact N-CE1 3.31Å; L73-Y93 WeakPolarHBondContact O-CD1 3.3Å; L73-Y93 VanDerWaalsContact O-CE1 3.26Å; L73-Y93 WeakPolarHBondContact O-CE1 3.48Å; P74-Y93 WeakPolarHBondContact O-CA 3.26Å; T75-Y93 HydrophobicContact CG2-CD1 3.68Å; T75-Y93 HydrophobicContact CG2-CE1 4.01Å; Y93-A95 VanDerWaalsContact C-N 3.25Å; Y93-A95 PolarHBondContact O-N 2.91Å; Y93-S96 PolarHBondContact O-N 2.97Å; Y93-S96 PolarHBondContact O-OG 2.79Å; Y93-R97 PolarHBondContact O-N 2.9Å; Y93-R299 VanDerWaalsContact CE2-O 3.26Å; Y93-R299 WeakPolarHBondContact CE2-O 3.32Å; Y93-L300 VanDerWaalsContact CD2-O 3.29Å; Y93-L300 WeakPolarHBondContact CD2-O 3.28Å; Y93-R303 HydrophobicContact CD2-CB 4.28Å; Y93-R303 HydrophobicContact CE1-CB 4.45Å; Y93-R303 HydrophobicContact CE1-CG 4.37Å; Y93-R303 HydrophobicContact CE2-CB 3.74Å; Y93-R303 HydrophobicContact CE2-CG 4.07Å; Y93-R303 WeakPolarHBondContact OH-CG 3.47Å
94D97.3Very high94.5Very high41 Ų4160.4 Ų60.422%0.21929%0.294CS..G310 helixtrans-62.7-36.7178.7-62.6-35.7000111.3P74 T75 K76 A77 S96 R97P74-D94 VanDerWaalsContact C-OD2 3.3Å; P74-D94 WeakPolarHBondContact CB-OD2 3.19Å; P74-D94 PolarHBondContact O-N 2.85Å; T75-D94 PolarHBondContact N-OD2 3.33Å; K76-D94 WeakPolarHBondContact CB-OD2 3.35Å; K76-D94 VanDerWaalsContact N-CG 3.32Å; K76-D94 PolarHBondContact N-OD1 2.97Å; K76-D94 VanDerWaalsContact N-OD1 3.15Å; K76-D94 PolarHBondContact N-OD2 3.31Å; A77-D94 VanDerWaalsContact CB-OD1 3.23Å; A77-D94 WeakPolarHBondContact CB-OD1 3.23Å; A77-D94 PolarHBondContact N-OD1 3.37Å; D94-S96 PolarHBondContact O-N 3.45Å; D94-R97 WeakPolarHBondContact O-CG 3.3Å; D94-R97 PolarHBondContact O-N 3.21Å
95A97Very high94.6Very high88 Ų8860.9 Ų60.973%0.72731%0.306SS*.G310 helixtrans-65.8-23-175.900000114.3Y93Y93-A95 VanDerWaalsContact C-N 3.25Å; Y93-A95 PolarHBondContact O-N 2.91Å
96S97.5Very high94.7Very high13 Ų1362.9 Ų62.99%0.09132%0.32CS..G310 helixtrans-117.83.5-177.858.90000113Y93 D94 S112 F113 Q301Y93-S96 PolarHBondContact O-N 2.97Å; Y93-S96 PolarHBondContact O-OG 2.79Å; D94-S96 PolarHBondContact O-N 3.45Å; S96-S112 CarbonylContact O-C 3.57Å; S96-S112 WeakPolarHBondContact O-CA 3.36Å; S96-F113 PolarHBondContact O-N 2.86Å; S96-Q301 VanDerWaalsContact CB-O 3.29Å; S96-Q301 WeakPolarHBondContact CB-O 3.42Å; S96-Q301 PolarHBondContact OG-O 2.89Å
97R97.4Very high95.1Very high51 Ų5163.8 Ų63.819%0.19233%0.328CS..EExtended strand (participates in β ladder)trans-66.1147.4-178.482.7-177.2177.394-6.8111.2L92 Y93 D94 V99 D107 A111L92-R97 HydrophobicContact CD1-CB 3.44Å; L92-R97 VanDerWaalsContact CD1-CB 3.44Å; Y93-R97 PolarHBondContact O-N 2.9Å; D94-R97 WeakPolarHBondContact O-CG 3.3Å; D94-R97 PolarHBondContact O-N 3.21Å; R97-V99 HydrophobicContact CG-CG2 4.02Å; R97-D107 IonicContact CZ-OD2 3.14Å; R97-D107 PolarHBondContact NH1-O 2.52Å; R97-D107 IonicContact NH1-OD2 2.85Å; R97-D107 PolarHBondContact NH1-OD2 2.96Å; R97-D107 IonicContact NH2-OD2 2.66Å; R97-D107 PolarHBondContact NH2-OD2 2.9Å; R97-A111 WeakPolarHBondContact CA-O 2.75Å
98V98Very high95.4Very high0 Ų060.4 Ų60.40%032%0.315CS..EExtended strand (participates in β ladder)trans-77.6132.4164.9-173.80000108.6I109 A111 F113 I124 M137 E141V98-I109 HydrophobicContact CB-CG2 4.08Å; V98-I109 HydrophobicContact CG1-CG2 4.4Å; V98-A111 HydrophobicContact CB-CB 4.21Å; V98-A111 HydrophobicContact CG2-CB 3.85Å; V98-A111 PolarHBondContact N-O 2.88Å; V98-F113 HydrophobicContact CB-CE2 4.2Å; V98-F113 HydrophobicContact CB-CZ 4.5Å; V98-F113 HydrophobicContact CG1-CE2 4.26Å; V98-F113 HydrophobicContact CG1-CZ 4.2Å; V98-F113 HydrophobicContact CG2-CD2 3.97Å; V98-F113 HydrophobicContact CG2-CE1 4.32Å; V98-F113 HydrophobicContact CG2-CE2 3.77Å; V98-F113 HydrophobicContact CG2-CG 4.35Å; V98-F113 HydrophobicContact CG2-CZ 3.95Å; V98-I124 HydrophobicContact CG2-CD1 4.39Å; V98-I124 HydrophobicContact CG2-CG1 4.37Å; V98-I124 HydrophobicContact CG2-CG2 3.81Å; V98-M137 HydrophobicContact CG1-CG 4.07Å; V98-M137 HydrophobicContact CG2-SD 4.4Å; V98-E141 HydrophobicContact CG1-CG 4.29Å
99V98.1Very high95.7Very high45 Ų4549.8 Ų49.827%0.27328%0.275SS..EExtended strand (participates in β ladder)trans-110.7119.4179.1-170.30000108.8R97 N101 D107 Q140R97-V99 HydrophobicContact CG-CG2 4.02Å; V99-N101 WeakPolarHBondContact CG1-OD1 3.4Å; V99-N101 PolarHBondContact O-ND2 3.4Å; V99-D107 WeakPolarHBondContact CA-O 3.25Å; V99-D107 HydrophobicContact CG1-CB 3.97Å; V99-Q140 PolarHBondContact O-NE2 3.19Å
100L98Very high96Very high5 Ų544.5 Ų44.53%0.02625%0.247CC..  trans-82.6121.2177.6-60.8177000110.4D107 I109 D133 R136 M137L100-D107 PolarHBondContact N-O 2.72Å; L100-D107 WeakPolarHBondContact O-CA 3.39Å; L100-D107 WeakPolarHBondContact O-CB 3.42Å; L100-I109 HydrophobicContact CD1-CB 4.07Å; L100-I109 HydrophobicContact CD1-CG2 4.14Å; L100-I109 HydrophobicContact CD2-CG2 4.34Å; L100-I109 HydrophobicContact CG-CG2 4.05Å; L100-D133 HydrophobicContact CD1-CB 3.8Å; L100-R136 HydrophobicContact CD1-CB 4.19Å; L100-R136 HydrophobicContact CD2-CB 4.16Å; L100-M137 HydrophobicContact CD2-CB 3.93Å
101N97.4Very high96.2Very high109 Ų10944 Ų4458%0.58324%0.244SC*.  trans-115.44.3-169.8-59.1-41.2000113.3V99 K103V99-N101 WeakPolarHBondContact CG1-OD1 3.4Å; V99-N101 PolarHBondContact O-ND2 3.4Å; N101-K103 PolarHBondContact O-N 3.14Å
102D94.4Very high96.4Very high50 Ų5040.4 Ų40.427%0.26723%0.23SC..SBendtrans-72.4-9.9-179.164.613.2000114.4L104 R136D102-L104 HydrophobicContact CB-CD1 4.29Å; D102-L104 HydrophobicContact CB-CG 4.16Å; D102-L104 PolarHBondContact O-N 2.61Å; D102-L104 PolarHBondContact OD1-N 2.78Å; D102-R136 IonicContact OD1-CZ 3.38Å; D102-R136 IonicContact OD1-NE 3.01Å; D102-R136 PolarHBondContact OD1-NE 2.97Å; D102-R136 VanDerWaalsContact OD1-NE 3.17Å; D102-R136 IonicContact OD1-NH2 2.82Å; D102-R136 PolarHBondContact OD1-NH2 2.72Å; D102-R136 WeakPolarHBondContact OD2-CB 3.41Å; D102-R136 VanDerWaalsContact OD2-CG 3.32Å; D102-R136 WeakPolarHBondContact OD2-CG 3.43Å; D102-R136 IonicContact OD2-CZ 3.74Å; D102-R136 IonicContact OD2-NE 2.67Å; D102-R136 PolarHBondContact OD2-NE 3.23Å; D102-R136 IonicContact OD2-NH2 3.06Å
103K94.9Very high96.6Very high196 Ų19641.6 Ų41.685%0.85224%0.235SC*.SBendtrans59.519.5-176.1-53.1177.2-180176.60114.7N101N101-K103 PolarHBondContact O-N 3.14Å
104L95.2Very high96.7Very high86 Ų8641.9 Ų41.945%0.4524%0.237SC..SBendtrans-88.2-3.8178.1-62.1178.7000113.7D102 V176 L201D102-L104 HydrophobicContact CB-CD1 4.29Å; D102-L104 HydrophobicContact CB-CG 4.16Å; D102-L104 PolarHBondContact O-N 2.61Å; D102-L104 PolarHBondContact OD1-N 2.78Å; L104-V176 HydrophobicContact CD1-CG2 3.77Å; L104-L201 HydrophobicContact CD1-CD1 4.14Å; L104-L201 HydrophobicContact CD2-CD1 3.69Å
105G94.2Very high96.8Very high41 Ų4140.1 Ų40.142%0.42323%0.228SC..SBendtrans179.5-160.9-175.900000110.8
106P94.8Very high96.7Very high56 Ų5636 Ų3636%0.36419%0.193SC..  trans-60.2154.8174.727.7-34.6000110.9L84 Y108 R136L84-P106 HydrophobicContact CD1-CB 4.29Å; L84-P106 HydrophobicContact CD1-CG 3.95Å; P106-Y108 PolarHBondContact O-N 3.13Å; P106-R136 PolarHBondContact O-NH1 2.86Å; P106-R136 PolarHBondContact O-NH2 3.23Å
107D96.9Very high96.6Very high65 Ų6535.4 Ų35.435%0.34819%0.189SC..SBendtrans-76.7-8.6173.381.9-40000112.3R97 V99 L100R97-D107 IonicContact CZ-OD2 3.14Å; R97-D107 PolarHBondContact NH1-O 2.52Å; R97-D107 IonicContact NH1-OD2 2.85Å; R97-D107 PolarHBondContact NH1-OD2 2.96Å; R97-D107 IonicContact NH2-OD2 2.66Å; R97-D107 PolarHBondContact NH2-OD2 2.9Å; V99-D107 WeakPolarHBondContact CA-O 3.25Å; V99-D107 HydrophobicContact CG1-CB 3.97Å; L100-D107 PolarHBondContact N-O 2.72Å; L100-D107 WeakPolarHBondContact O-CA 3.39Å; L100-D107 WeakPolarHBondContact O-CB 3.42Å
108Y97.3Very high96.5Very high0 Ų034.8 Ų34.80%019%0.188CC..EExtended strand (participates in β ladder)trans-95.9127.5-174.6-178.6-90.1000112.1A77 N81 L84 N85 L92 P106 H110A77-Y108 HydrophobicContact CB-CD2 3.94Å; A77-Y108 HydrophobicContact CB-CE2 4.07Å; A77-Y108 WeakPolarHBondContact O-CE2 3.37Å; N81-Y108 HydrophobicContact CB-CD1 3.47Å; N81-Y108 VanDerWaalsContact CB-CD1 3.47Å; N81-Y108 HydrophobicContact CB-CD2 4.1Å; N81-Y108 HydrophobicContact CB-CE1 3.6Å; N81-Y108 HydrophobicContact CB-CE2 4.23Å; N81-Y108 HydrophobicContact CB-CG 3.7Å; L84-Y108 HydrophobicContact CB-CD1 3.73Å; L84-Y108 HydrophobicContact CB-CE1 3.72Å; L84-Y108 HydrophobicContact CD1-CD1 3.64Å; L84-Y108 HydrophobicContact CD1-CE1 4.47Å; L84-Y108 HydrophobicContact CD1-CG 4.43Å; L84-Y108 HydrophobicContact CG-CD1 4.29Å; N85-Y108 WeakPolarHBondContact OD1-CE1 3.25Å; N85-Y108 PolarHBondContact OD1-OH 2.92Å; L92-Y108 HydrophobicContact CD1-CE2 4.08Å; L92-Y108 HydrophobicContact CD2-CE2 3.89Å; L92-Y108 WeakPolarHBondContact CD2-OH 3.39Å; P106-Y108 PolarHBondContact O-N 3.13Å; Y108-H110 HydrophobicContact CE1-CB 4.25Å
109I96.6Very high96.4Very high1 Ų135.5 Ų35.51%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-131.4143.2158.1-177.3176.1000107.5V98 L100 A111 D133 M137V98-I109 HydrophobicContact CB-CG2 4.08Å; V98-I109 HydrophobicContact CG1-CG2 4.4Å; L100-I109 HydrophobicContact CD1-CB 4.07Å; L100-I109 HydrophobicContact CD1-CG2 4.14Å; L100-I109 HydrophobicContact CD2-CG2 4.34Å; L100-I109 HydrophobicContact CG-CG2 4.05Å; I109-A111 HydrophobicContact CD1-CB 4.5Å; I109-A111 HydrophobicContact CG1-CB 4.35Å; I109-A111 HydrophobicContact CG2-CB 4.07Å; I109-A111 PolarHBondContact O-N 2.84Å; I109-D133 HydrophobicContact CB-CB 4.19Å; I109-D133 HydrophobicContact CD1-CB 3.9Å; I109-D133 WeakPolarHBondContact CD1-O 3.38Å; I109-D133 HydrophobicContact CG1-CB 4.09Å; I109-M137 HydrophobicContact CD1-CB 4.04Å; I109-M137 HydrophobicContact CD1-SD 3.87Å; I109-M137 HydrophobicContact CG2-SD 4.49Å
110H95.6Very high96.3Very high1 Ų138.3 Ų38.31%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-75.773.7174.3-171-39.4000110.8F78 N85 V90 L92 Y108 P126 T127 R302F78-H110 AromaticContact CD2-CD2 3.86Å; F78-H110 AromaticContact CD2-NE2 3.82Å; F78-H110 AromaticContact CE2-CD2 3.82Å; F78-H110 AromaticContact CE2-NE2 3.66Å; N85-H110 PolarHBondContact OD1-CD2 3.12Å; N85-H110 VanDerWaalsContact OD1-CD2 3.28Å; V90-H110 PolarHBondContact O-CE1 3.09Å; V90-H110 PolarHBondContact O-NE2 3Å; L92-H110 HydrophobicContact CD2-CB 4.42Å; Y108-H110 HydrophobicContact CE1-CB 4.25Å; H110-P126 CarbonylContact O-C 3.44Å; H110-P126 WeakPolarHBondContact O-CA 3.35Å; H110-T127 WeakPolarHBondContact CB-OG1 3.1Å; H110-T127 PolarHBondContact ND1-OG1 3.43Å; H110-T127 PolarHBondContact O-N 2.79Å; H110-T127 PolarHBondContact O-OG1 3.35Å; H110-R302 PolarHBondContact CE1-NH2 2.93Å; H110-R302 PolarHBondContact ND1-NH1 3.15Å; H110-R302 PolarHBondContact ND1-NH2 3.27Å
111A96.7Very high96.3Very high0 Ų040.7 Ų40.70%021%0.212CC..EExtended strand (participates in β ladder)trans-140.2143.6177.300000110R97 V98 I109 I124 P126 M137R97-A111 WeakPolarHBondContact CA-O 2.75Å; V98-A111 HydrophobicContact CB-CB 4.21Å; V98-A111 HydrophobicContact CG2-CB 3.85Å; V98-A111 PolarHBondContact N-O 2.88Å; I109-A111 HydrophobicContact CD1-CB 4.5Å; I109-A111 HydrophobicContact CG1-CB 4.35Å; I109-A111 HydrophobicContact CG2-CB 4.07Å; I109-A111 PolarHBondContact O-N 2.84Å; A111-I124 HydrophobicContact CB-CG2 3.85Å; A111-P126 HydrophobicContact CB-CB 3.87Å; A111-M137 HydrophobicContact CB-SD 3.56Å; A111-M137 VanDerWaalsContact CB-SD 3.56Å
112S97.6Very high96.3Very high0 Ų035.6 Ų35.60%019%0.186CC..EExtended strand (participates in β ladder)trans-125139.3176.4-46.20000110.6S96 I124 G125 Q301 R302S96-S112 CarbonylContact O-C 3.57Å; S96-S112 WeakPolarHBondContact O-CA 3.36Å; S112-I124 WeakPolarHBondContact O-CA 3.22Å; S112-G125 PolarHBondContact N-O 3.35Å; S112-G125 PolarHBondContact O-N 3.39Å; S112-Q301 WeakPolarHBondContact CB-O 3.38Å; S112-R302 WeakPolarHBondContact OG-CD 3.34Å; S112-R302 PolarHBondContact OG-NH1 2.94Å
113F98.4Very high96.5Very high25 Ų2533.7 Ų33.711%0.1118%0.175CC..EExtended strand (participates in β ladder)trans-66.9143.3163.1-68.4-72.1000110.1S96 V98 N121 Y123 I124 E141 P258S96-F113 PolarHBondContact O-N 2.86Å; V98-F113 HydrophobicContact CB-CE2 4.2Å; V98-F113 HydrophobicContact CB-CZ 4.5Å; V98-F113 HydrophobicContact CG1-CE2 4.26Å; V98-F113 HydrophobicContact CG1-CZ 4.2Å; V98-F113 HydrophobicContact CG2-CD2 3.97Å; V98-F113 HydrophobicContact CG2-CE1 4.32Å; V98-F113 HydrophobicContact CG2-CE2 3.77Å; V98-F113 HydrophobicContact CG2-CG 4.35Å; V98-F113 HydrophobicContact CG2-CZ 3.95Å; F113-N121 HydrophobicContact CB-CB 4.26Å; F113-N121 WeakPolarHBondContact CB-OD1 3.49Å; F113-N121 HydrophobicContact CD1-CB 3.64Å; F113-N121 HydrophobicContact CE1-CB 4.24Å; F113-N121 HydrophobicContact CG-CB 4.13Å; F113-Y123 CarbonylContact C-O 3.16Å; F113-Y123 WeakPolarHBondContact CA-O 3.35Å; F113-I124 HydrophobicContact CD1-CD1 4.16Å; F113-I124 HydrophobicContact CD1-CG1 3.62Å; F113-I124 HydrophobicContact CE1-CD1 3.68Å; F113-I124 HydrophobicContact CE1-CG1 3.7Å; F113-I124 HydrophobicContact CZ-CD1 4.44Å; F113-E141 HydrophobicContact CE1-CG 4.46Å; F113-E141 HydrophobicContact CZ-CG 4.28Å; F113-E141 WeakPolarHBondContact CZ-OE2 3.3Å; F113-P258 HydrophobicContact CE1-CG 4.13Å
114V98.2Very high96.6Very high7 Ų724.4 Ų24.44%0.04213%0.134CC..EExtended strand (participates in β ladder)trans-135133.7172.9-176.60000107.6N121 A122 Y123 V274 V298 Q301 R302V114-N121 CarbonylContact O-C 3.55Å; V114-A122 PolarHBondContact O-N 3.38Å; V114-A122 VanDerWaalsContact O-N 3.13Å; V114-Y123 PolarHBondContact N-O 3.29Å; V114-Y123 PolarHBondContact O-N 3.17Å; V114-V274 HydrophobicContact CG1-CG1 4.03Å; V114-V298 HydrophobicContact CG1-CG1 4.12Å; V114-V298 HydrophobicContact CG1-CG2 4.29Å; V114-Q301 HydrophobicContact CG2-CB 4.4Å; V114-R302 HydrophobicContact CG2-CB 3.88Å
115D97.9Very high96.6Very high4 Ų420.6 Ų20.62%0.02112%0.116CC..EExtended strand (participates in β ladder)trans-73.3152.9179-65.3-8.6000110.7S30 V31 F32 N121 I278 Q301S30-D115 WeakPolarHBondContact CA-OD2 3.33Å; V31-D115 HydrophobicContact CG2-CB 4.21Å; V31-D115 PolarHBondContact N-OD2 3.15Å; F32-D115 HydrophobicContact CD2-CB 3.6Å; F32-D115 WeakPolarHBondContact CD2-O 3.36Å; F32-D115 HydrophobicContact CE2-CB 3.65Å; F32-D115 WeakPolarHBondContact CE2-O 3.49Å; D115-N121 PolarHBondContact OD1-N 2.88Å; D115-I278 WeakPolarHBondContact O-CD1 3.42Å; D115-Q301 PolarHBondContact OD1-NE2 3.36Å; D115-Q301 VanDerWaalsContact OD1-NE2 3.08Å; D115-Q301 PolarHBondContact OD2-NE2 3.09Å
116G96.7Very high96.4Very high1 Ų118.7 Ų18.71%0.0110%0.097CC..EExtended strand (participates in β ladder)trans-100.4-179.7163.200000110.6S30 K118 H119S30-G116 WeakPolarHBondContact CB-O 3.23Å; S30-G116 PolarHBondContact OG-O 3.41Å; G116-K118 PolarHBondContact O-N 2.99Å; G116-H119 PolarHBondContact N-O 2.74Å; G116-H119 PolarHBondContact O-N 3.23Å
117Y95Very high96Very high1 Ų116.2 Ų16.20%0.0048%0.08CC..BIsolated β-bridgetrans-66.2119.9174.2-177.2-116.7000110.3A22 F32 H119 E281 M282 D285A22-Y117 HydrophobicContact CB-CD1 3.73Å; A22-Y117 HydrophobicContact CB-CE1 3.75Å; F32-Y117 HydrophobicContact CB-CD2 4.34Å; F32-Y117 WeakPolarHBondContact O-CD2 3.38Å; F32-Y117 WeakPolarHBondContact O-CE2 3.1Å; Y117-H119 PolarHBondContact O-N 3.28Å; Y117-E281 HydrophobicContact CD1-CB 4.41Å; Y117-E281 HydrophobicContact CD1-CG 3.82Å; Y117-E281 HydrophobicContact CG-CG 4.37Å; Y117-M282 HydrophobicContact CD1-CG 4.35Å; Y117-M282 HydrophobicContact CD2-CE 4.34Å; Y117-M282 HydrophobicContact CD2-CG 3.26Å; Y117-M282 HydrophobicContact CD2-SD 4.01Å; Y117-M282 HydrophobicContact CE2-CE 4.09Å; Y117-M282 HydrophobicContact CE2-CG 3.6Å; Y117-M282 HydrophobicContact CE2-SD 4.35Å; Y117-M282 HydrophobicContact CG-CG 3.68Å; Y117-D285 HydrophobicContact CE1-CB 3.67Å; Y117-D285 VanDerWaalsContact CE1-OD2 3.3Å; Y117-D285 WeakPolarHBondContact CE1-OD2 3.31Å; Y117-D285 PolarHBondContact OH-OD2 3.21Å
118K94.2Very high95Very high37 Ų3713.3 Ų13.316%0.1617%0.065CC..THydrogen-bonded Turntrans57.92.9-173.8-65.5174.4174.7167.70116.6A22 Y25 D27 E28 F32 G116 D285A22-K118 HydrophobicContact CB-CD 4.45Å; A22-K118 WeakPolarHBondContact O-CD 3.42Å; A22-K118 PolarHBondContact O-NZ 3.39Å; Y25-K118 HydrophobicContact CD2-CB 4.27Å; Y25-K118 HydrophobicContact CE2-CB 3.76Å; Y25-K118 HydrophobicContact CE2-CD 4.49Å; D27-K118 HydrophobicContact CB-CB 4.3Å; D27-K118 HydrophobicContact CB-CG 4.09Å; D27-K118 WeakPolarHBondContact OD2-CA 3.22Å; D27-K118 WeakPolarHBondContact OD2-CG 3.36Å; E28-K118 PolarHBondContact N-O 2.96Å; E28-K118 VanDerWaalsContact N-O 3.13Å; F32-K118 PolarHBondContact O-N 3.35Å; G116-K118 PolarHBondContact O-N 2.99Å; K118-D285 IonicContact NZ-OD1 3.7Å; K118-D285 IonicContact NZ-OD2 2.81Å; K118-D285 PolarHBondContact NZ-OD2 3.38Å
119H95.7Very high94.3Very high15 Ų1515.6 Ų15.67%0.0698%0.077CC..EExtended strand (participates in β ladder)trans-118.8105.1-176.3-176.7-170.6000109.4G116 Y117 A122 H253 G256G116-H119 PolarHBondContact N-O 2.74Å; G116-H119 PolarHBondContact O-N 3.23Å; Y117-H119 PolarHBondContact O-N 3.28Å; H119-A122 HydrophobicContact CB-CB 3.93Å; H119-A122 VanDerWaalsContact ND1-CB 3.25Å; H119-A122 WeakPolarHBondContact ND1-CB 3.31Å; H119-H253 AromaticContact CD2-CD2 3.66Å; H119-H253 AromaticContact CD2-CE1 3.82Å; H119-H253 AromaticContact CD2-CG 3.23Å; H119-H253 AromaticContact CD2-ND1 3.33Å; H119-H253 PolarHBondContact CD2-ND1 2.87Å; H119-H253 VanDerWaalsContact CD2-ND1 3.33Å; H119-H253 AromaticContact CE1-ND1 3.51Å; H119-H253 AromaticContact CG-CD2 3.93Å; H119-H253 AromaticContact CG-CE1 3.4Å; H119-H253 AromaticContact CG-CG 3.66Å; H119-H253 AromaticContact CG-ND1 3.31Å; H119-H253 VanDerWaalsContact CG-ND1 3.31Å; H119-H253 AromaticContact CG-NE2 3.77Å; H119-H253 AromaticContact ND1-CE1 3.7Å; H119-H253 AromaticContact ND1-ND1 3.41Å; H119-H253 PolarHBondContact ND1-ND1 3.44Å; H119-H253 WeakPolarHBondContact NE2-CB 3.4Å; H119-H253 AromaticContact NE2-CG 3.51Å; H119-H253 AromaticContact NE2-ND1 3.46Å; H119-H253 PolarHBondContact NE2-ND1 2.95Å; H119-G256 PolarHBondContact CE1-O 3.41Å; H119-G256 VanDerWaalsContact CE1-O 3.31Å; H119-G256 PolarHBondContact NE2-O 3.15Å
120K96.5Very high93.9Very high104 Ų10416.6 Ų16.645%0.4528%0.083SC..EExtended strand (participates in β ladder)trans-68.3140.6176.9-174.4165.2-173159.50110.2E28 A122E28-K120 HydrophobicContact CB-CB 4.32Å; E28-K120 WeakPolarHBondContact O-CB 3.47Å; K120-A122 PolarHBondContact O-N 2.95Å
121N97.5Very high93.8Very high55 Ų5518.2 Ų18.229%0.2949%0.092SC..EExtended strand (participates in β ladder)trans55.828.9-179.2-62.2-10.4000114.5F113 V114 D115 Y123 P258F113-N121 HydrophobicContact CB-CB 4.26Å; F113-N121 WeakPolarHBondContact CB-OD1 3.49Å; F113-N121 HydrophobicContact CD1-CB 3.64Å; F113-N121 HydrophobicContact CE1-CB 4.24Å; F113-N121 HydrophobicContact CG-CB 4.13Å; V114-N121 CarbonylContact O-C 3.55Å; D115-N121 PolarHBondContact OD1-N 2.88Å; N121-Y123 PolarHBondContact O-N 3.22Å; N121-P258 VanDerWaalsContact O-CB 3.23Å; N121-P258 WeakPolarHBondContact O-CB 3.15Å; N121-P258 WeakPolarHBondContact O-CG 3.45Å
122A98.2Very high93.7Very high3 Ų321.1 Ų21.13%0.02511%0.109CC..EExtended strand (participates in β ladder)trans-57.8-24.4-176.900000114.7V114 H119 K120 P258 I259V114-A122 PolarHBondContact O-N 3.38Å; V114-A122 VanDerWaalsContact O-N 3.13Å; H119-A122 HydrophobicContact CB-CB 3.93Å; H119-A122 VanDerWaalsContact ND1-CB 3.25Å; H119-A122 WeakPolarHBondContact ND1-CB 3.31Å; K120-A122 PolarHBondContact O-N 2.95Å; A122-P258 WeakPolarHBondContact O-CA 3.41Å; A122-I259 PolarHBondContact O-N 3.25Å
123Y98.6Very high93.7Very high9 Ų921.7 Ų21.74%0.03511%0.112CC..EExtended strand (participates in β ladder)trans-133.5155.8-179.5-42.3-86000112F113 V114 N121 I259 V261 V274 D277 I278F113-Y123 CarbonylContact C-O 3.16Å; F113-Y123 WeakPolarHBondContact CA-O 3.35Å; V114-Y123 PolarHBondContact N-O 3.29Å; V114-Y123 PolarHBondContact O-N 3.17Å; N121-Y123 PolarHBondContact O-N 3.22Å; Y123-I259 CarbonylContact C-O 3.56Å; Y123-I259 VanDerWaalsContact CA-O 3.22Å; Y123-I259 WeakPolarHBondContact CA-O 3.48Å; Y123-I259 HydrophobicContact CD1-CB 4.15Å; Y123-V261 HydrophobicContact CD1-CG2 3.97Å; Y123-V274 HydrophobicContact CD1-CG2 4.02Å; Y123-V274 HydrophobicContact CD2-CG1 3.52Å; Y123-V274 HydrophobicContact CD2-CG2 4.26Å; Y123-V274 HydrophobicContact CE1-CG2 4.49Å; Y123-V274 HydrophobicContact CE2-CG1 3.68Å; Y123-V274 HydrophobicContact CG-CG1 4.04Å; Y123-V274 HydrophobicContact CG-CG2 3.9Å; Y123-D277 PolarHBondContact OH-OD2 3.43Å; Y123-I278 HydrophobicContact CE2-CD1 4.4Å; Y123-I278 HydrophobicContact CE2-CG1 4.25Å
124I97.9Very high93.6Very high1 Ų120.6 Ų20.61%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-122.8127.5165.7-61.8169.3000108.8V98 A111 S112 F113 P126 M137 E141 P258 I259 V260 V261V98-I124 HydrophobicContact CG2-CD1 4.39Å; V98-I124 HydrophobicContact CG2-CG1 4.37Å; V98-I124 HydrophobicContact CG2-CG2 3.81Å; A111-I124 HydrophobicContact CB-CG2 3.85Å; S112-I124 WeakPolarHBondContact O-CA 3.22Å; F113-I124 HydrophobicContact CD1-CD1 4.16Å; F113-I124 HydrophobicContact CD1-CG1 3.62Å; F113-I124 HydrophobicContact CE1-CD1 3.68Å; F113-I124 HydrophobicContact CE1-CG1 3.7Å; F113-I124 HydrophobicContact CZ-CD1 4.44Å; I124-P126 WeakPolarHBondContact O-CD 3.43Å; I124-M137 HydrophobicContact CD1-CG 4.43Å; I124-M137 HydrophobicContact CG2-CE 4.04Å; I124-M137 HydrophobicContact CG2-SD 3.54Å; I124-M137 VanDerWaalsContact CG2-SD 3.54Å; I124-E141 HydrophobicContact CD1-CB 3.87Å; I124-E141 HydrophobicContact CD1-CG 3.76Å; I124-P258 HydrophobicContact CD1-CB 3.79Å; I124-P258 HydrophobicContact CD1-CG 4.18Å; I124-P258 HydrophobicContact CG1-CB 3.72Å; I124-P258 HydrophobicContact CG1-CG 4.39Å; I124-I259 PolarHBondContact N-O 3.06Å; I124-V260 CarbonylContact O-C 3.5Å; I124-V260 WeakPolarHBondContact O-CA 3.26Å; I124-V261 PolarHBondContact O-N 3.33Å
125G93.9Very high93.6Very high7 Ų720.4 Ų20.47%0.07211%0.106CC..EExtended strand (participates in β ladder)trans-107.391.6175.700000112.4S112 V261 R302S112-G125 PolarHBondContact N-O 3.35Å; S112-G125 PolarHBondContact O-N 3.39Å; G125-V261 WeakPolarHBondContact CA-O 3.46Å; G125-R302 PolarHBondContact O-NE 3.01Å; G125-R302 PolarHBondContact O-NH1 3.42Å; G125-R302 PolarHBondContact O-NH2 3.45Å
126P91.5Very high93.5Very high1 Ų120.5 Ų20.51%0.00611%0.106CC..EExtended strand (participates in β ladder)trans-85.5155.6178.234.1-35.2000113H110 A111 I124 F134 M137 V260 H262H110-P126 CarbonylContact O-C 3.44Å; H110-P126 WeakPolarHBondContact O-CA 3.35Å; A111-P126 HydrophobicContact CB-CB 3.87Å; I124-P126 WeakPolarHBondContact O-CD 3.43Å; P126-F134 HydrophobicContact CB-CD2 4.45Å; P126-F134 HydrophobicContact CG-CD2 4.17Å; P126-F134 HydrophobicContact CG-CE2 4.01Å; P126-M137 HydrophobicContact CB-CE 3.99Å; P126-M137 HydrophobicContact CB-SD 4.43Å; P126-M137 HydrophobicContact CG-CE 3.99Å; P126-V260 HydrophobicContact CG-CG1 3.7Å; P126-H262 HydrophobicContact CG-CB 4.05Å
127T84.4Confident93.6Very high4 Ų420.4 Ų20.43%0.02511%0.105CC..  trans-100.3141.9152.664.20000108.6H110 N129 A265H110-T127 WeakPolarHBondContact CB-OG1 3.1Å; H110-T127 PolarHBondContact ND1-OG1 3.43Å; H110-T127 PolarHBondContact O-N 2.79Å; H110-T127 PolarHBondContact O-OG1 3.35Å; T127-N129 PolarHBondContact O-N 3.44Å; T127-A265 WeakPolarHBondContact CG2-O 3.23Å
128K76.2Confident93.8Very high3 Ų320.5 Ų20.51%0.01311%0.106CC..  trans-100.863.2-170.3-64.1-171.1177.3-165.90112.1F134 Y163 H262K128-F134 HydrophobicContact CD-CD2 4.46Å; K128-F134 HydrophobicContact CG-CD2 4.35Å; K128-Y163 HydrophobicContact CD-CD1 3.75Å; K128-Y163 HydrophobicContact CD-CE1 4.01Å; K128-Y163 HydrophobicContact CD-CG 4.16Å; K128-Y163 VanDerWaalsContact NZ-CD1 3.31Å; K128-Y163 PolarHBondContact NZ-OH 3.27Å; K128-Y163 VanDerWaalsContact NZ-OH 3.14Å; K128-H262 VanDerWaalsContact CE-CD2 3.42Å; K128-H262 WeakPolarHBondContact CE-CD2 3.49Å; K128-H262 WeakPolarHBondContact CE-CE1 3.34Å; K128-H262 VanDerWaalsContact CE-ND1 3.34Å; K128-H262 WeakPolarHBondContact CE-ND1 3.45Å; K128-H262 WeakPolarHBondContact CE-NE2 3.27Å; K128-H262 PolarHBondContact NZ-CD2 3.1Å; K128-H262 PolarHBondContact NZ-CE1 2.9Å; K128-H262 PolarHBondContact NZ-NE2 3.29Å
129N83.4Confident93.9Very high49 Ų4920.4 Ų20.426%0.26210%0.104SC..SBendtrans-88.9-22.2172.1-16174000112.1S83 L84 R86 T127S83-N129 PolarHBondContact O-ND2 2.7Å; L84-N129 WeakPolarHBondContact O-CB 3.36Å; R86-N129 WeakPolarHBondContact CA-OD1 3.32Å; R86-N129 HydrophobicContact CB-CB 4.04Å; T127-N129 PolarHBondContact O-N 3.44Å
130T87Confident94Very high22 Ų2222 Ų2214%0.13511%0.112CC..  trans-130.794.6-175.754.80000109.9L84 V132 D133 F134L84-T130 HydrophobicContact CB-CG2 4.33Å; L84-T130 HydrophobicContact CD2-CG2 3.74Å; T130-V132 VanDerWaalsContact C-N 3.29Å; T130-V132 PolarHBondContact O-N 3.45Å; T130-D133 WeakPolarHBondContact CB-OD2 3.46Å; T130-D133 WeakPolarHBondContact CG2-OD2 3.46Å; T130-D133 PolarHBondContact O-N 3.48Å; T130-D133 VanDerWaalsContact OG1-CB 3.3Å; T130-D133 WeakPolarHBondContact OG1-CB 3.26Å; T130-D133 PolarHBondContact OG1-OD2 2.95Å; T130-F134 PolarHBondContact O-N 3.12Å
131L93.5Very high94.1Very high35 Ų3519.1 Ų19.118%0.18310%0.1CC..Hα-helixtrans-63-35.2-174.5-51.9178.8000112.5F134 W135 E161 F174L131-F134 WeakPolarHBondContact O-CB 3.18Å; L131-F134 PolarHBondContact O-N 3.34Å; L131-W135 VanDerWaalsContact O-CD1 3.23Å; L131-W135 PolarHBondContact O-N 3.03Å; L131-E161 HydrophobicContact CD1-CB 4.48Å; L131-E161 HydrophobicContact CD2-CB 3.87Å; L131-E161 WeakPolarHBondContact CD2-OE2 3.41Å; L131-F174 HydrophobicContact CB-CD1 3.79Å; L131-F174 HydrophobicContact CB-CE1 3.88Å; L131-F174 HydrophobicContact CD1-CE1 3.91Å
132V95.9Very high94.2Very high60 Ų6021.3 Ų21.336%0.36411%0.107SC..Hα-helixtrans-64-47.7175.4179.50000110.8T130 F134 W135 R136T130-V132 VanDerWaalsContact C-N 3.29Å; T130-V132 PolarHBondContact O-N 3.45Å; V132-F134 VanDerWaalsContact C-N 3.29Å; V132-F134 PolarHBondContact O-N 3.24Å; V132-W135 PolarHBondContact O-N 3.35Å; V132-W135 VanDerWaalsContact O-N 3.15Å; V132-R136 HydrophobicContact CG1-CG 4.45Å; V132-R136 WeakPolarHBondContact O-CG 3.13Å; V132-R136 PolarHBondContact O-N 2.96Å
133D96.4Very high94.2Very high13 Ų1321.5 Ų21.57%0.0711%0.108CC..Hα-helixtrans-66.3-33.3-179.7-58.1-33.7000112.1L100 I109 T130 W135 R136 M137L100-D133 HydrophobicContact CD1-CB 3.8Å; I109-D133 HydrophobicContact CB-CB 4.19Å; I109-D133 HydrophobicContact CD1-CB 3.9Å; I109-D133 WeakPolarHBondContact CD1-O 3.38Å; I109-D133 HydrophobicContact CG1-CB 4.09Å; T130-D133 WeakPolarHBondContact CB-OD2 3.46Å; T130-D133 WeakPolarHBondContact CG2-OD2 3.46Å; T130-D133 PolarHBondContact O-N 3.48Å; T130-D133 VanDerWaalsContact OG1-CB 3.3Å; T130-D133 WeakPolarHBondContact OG1-CB 3.26Å; T130-D133 PolarHBondContact OG1-OD2 2.95Å; D133-W135 VanDerWaalsContact C-N 3.29Å; D133-W135 PolarHBondContact O-N 3.29Å; D133-R136 WeakPolarHBondContact O-CB 3.4Å; D133-R136 PolarHBondContact O-N 3.14Å; D133-R136 IonicContact OD1-CZ 2.78Å; D133-R136 IonicContact OD1-NH1 3.37Å; D133-R136 PolarHBondContact OD1-NH1 3.47Å; D133-M137 WeakPolarHBondContact O-CB 3.28Å; D133-M137 PolarHBondContact O-N 2.75Å
134F96.8Very high94.2Very high1 Ų121.1 Ų21.10%0.00411%0.107CC..Hα-helixtrans-55.8-45.9172.5174.7-91.1000111.4P126 K128 T130 L131 V132 M137 V138 V146 Y163 V260P126-F134 HydrophobicContact CB-CD2 4.45Å; P126-F134 HydrophobicContact CG-CD2 4.17Å; P126-F134 HydrophobicContact CG-CE2 4.01Å; K128-F134 HydrophobicContact CD-CD2 4.46Å; K128-F134 HydrophobicContact CG-CD2 4.35Å; T130-F134 PolarHBondContact O-N 3.12Å; L131-F134 WeakPolarHBondContact O-CB 3.18Å; L131-F134 PolarHBondContact O-N 3.34Å; V132-F134 VanDerWaalsContact C-N 3.29Å; V132-F134 PolarHBondContact O-N 3.24Å; F134-M137 HydrophobicContact CD2-CE 3.99Å; F134-M137 HydrophobicContact CE2-CE 4.18Å; F134-M137 WeakPolarHBondContact O-CB 3.45Å; F134-M137 PolarHBondContact O-N 2.87Å; F134-V138 HydrophobicContact CD1-CG2 4.31Å; F134-V138 HydrophobicContact CE1-CG2 3.86Å; F134-V138 HydrophobicContact CE2-CG2 4.43Å; F134-V138 HydrophobicContact CZ-CG2 3.92Å; F134-V138 VanDerWaalsContact O-CG2 3.31Å; F134-V138 WeakPolarHBondContact O-CG2 3.44Å; F134-V138 PolarHBondContact O-N 3.03Å; F134-V146 HydrophobicContact CZ-CG1 4.23Å; F134-V146 HydrophobicContact CZ-CG2 4.27Å; F134-Y163 AromaticContact CD1-CD2 3.95Å; F134-Y163 HydrophobicContact CD1-CD2 3.95Å; F134-Y163 AromaticContact CE1-CD2 3.5Å; F134-Y163 HydrophobicContact CE1-CD2 3.5Å; F134-Y163 VanDerWaalsContact CE1-CD2 3.5Å; F134-Y163 AromaticContact CE1-CE2 3.75Å; F134-Y163 HydrophobicContact CE1-CE2 3.75Å; F134-Y163 AromaticContact CZ-CD2 4Å; F134-Y163 HydrophobicContact CZ-CD2 4Å; F134-Y163 AromaticContact CZ-CE2 3.84Å; F134-Y163 HydrophobicContact CZ-CE2 3.84Å; F134-V260 HydrophobicContact CE2-CG1 3.83Å; F134-V260 HydrophobicContact CZ-CG1 4.27Å
135W97.4Very high94.2Very high4 Ų421.1 Ų21.12%0.01511%0.107CC..Hα-helixtrans-73.9-34.6178.3-71.3113.3000112.9L131 V132 D133 M137 V138 W139 Y163 F164 F174 F177 V179 I197 I208L131-W135 VanDerWaalsContact O-CD1 3.23Å; L131-W135 PolarHBondContact O-N 3.03Å; V132-W135 PolarHBondContact O-N 3.35Å; V132-W135 VanDerWaalsContact O-N 3.15Å; D133-W135 VanDerWaalsContact C-N 3.29Å; D133-W135 PolarHBondContact O-N 3.29Å; W135-M137 VanDerWaalsContact C-N 3.34Å; W135-M137 PolarHBondContact O-N 3.36Å; W135-V138 HydrophobicContact CE3-CB 4.18Å; W135-V138 HydrophobicContact CE3-CG1 4.01Å; W135-V138 HydrophobicContact CE3-CG2 4.48Å; W135-V138 HydrophobicContact CZ3-CG1 4.08Å; W135-V138 PolarHBondContact O-N 3.18Å; W135-W139 WeakPolarHBondContact O-CB 3.37Å; W135-W139 PolarHBondContact O-N 3.27Å; W135-Y163 VanDerWaalsContact CE2-O 3.28Å; W135-Y163 HydrophobicContact CZ2-CD2 4.16Å; W135-Y163 WeakPolarHBondContact CZ2-O 3.35Å; W135-Y163 PolarHBondContact NE1-O 2.79Å; W135-F164 HydrophobicContact CZ2-CB 4.4Å; W135-F174 HydrophobicContact CB-CB 4.47Å; W135-F174 VanDerWaalsContact CD1-CB 3.45Å; W135-F174 AromaticContact CD1-CD2 3.31Å; W135-F174 AromaticContact CD1-CG 3.35Å; W135-F174 HydrophobicContact CG-CB 4.2Å; W135-F174 HydrophobicContact CG-CD2 4.31Å; W135-F174 HydrophobicContact CG-CG 4.43Å; W135-F174 AromaticContact NE1-CD2 3.14Å; W135-F174 AromaticContact NE1-CE2 3.39Å; W135-F174 AromaticContact NE1-CG 3.63Å; W135-F177 HydrophobicContact CB-CB 4.14Å; W135-F177 HydrophobicContact CB-CD2 3.71Å; W135-F177 HydrophobicContact CB-CE2 4.46Å; W135-F177 HydrophobicContact CB-CG 4.09Å; W135-V179 HydrophobicContact CD2-CG2 3.99Å; W135-V179 HydrophobicContact CE3-CG2 4.34Å; W135-V179 HydrophobicContact CH2-CG1 3.95Å; W135-V179 HydrophobicContact CH2-CG2 4.25Å; W135-V179 HydrophobicContact CZ2-CB 4.42Å; W135-V179 HydrophobicContact CZ2-CG1 3.86Å; W135-V179 HydrophobicContact CZ2-CG2 3.88Å; W135-V179 HydrophobicContact CZ3-CG2 4.48Å; W135-I197 HydrophobicContact CE3-CD1 3.79Å; W135-I197 HydrophobicContact CE3-CG1 4.38Å; W135-I197 HydrophobicContact CH2-CD1 4.49Å; W135-I197 HydrophobicContact CZ3-CD1 3.45Å; W135-I197 VanDerWaalsContact CZ3-CD1 3.45Å; W135-I197 HydrophobicContact CZ3-CG1 3.97Å; W135-I208 HydrophobicContact CH2-CG2 4.32Å; W135-I208 HydrophobicContact CZ3-CD1 4.39Å; W135-I208 HydrophobicContact CZ3-CG2 4.15Å
136R97.5Very high94.4Very high5 Ų520.9 Ų20.92%0.01910%0.104CC..Hα-helixtrans-55.7-48.9168.9-68.8170.161.9-149.11.6111.1L100 D102 P106 V132 D133 W139 Q140 F177L100-R136 HydrophobicContact CD1-CB 4.19Å; L100-R136 HydrophobicContact CD2-CB 4.16Å; D102-R136 IonicContact OD1-CZ 3.38Å; D102-R136 IonicContact OD1-NE 3.01Å; D102-R136 PolarHBondContact OD1-NE 2.97Å; D102-R136 VanDerWaalsContact OD1-NE 3.17Å; D102-R136 IonicContact OD1-NH2 2.82Å; D102-R136 PolarHBondContact OD1-NH2 2.72Å; D102-R136 WeakPolarHBondContact OD2-CB 3.41Å; D102-R136 VanDerWaalsContact OD2-CG 3.32Å; D102-R136 WeakPolarHBondContact OD2-CG 3.43Å; D102-R136 IonicContact OD2-CZ 3.74Å; D102-R136 IonicContact OD2-NE 2.67Å; D102-R136 PolarHBondContact OD2-NE 3.23Å; D102-R136 IonicContact OD2-NH2 3.06Å; P106-R136 PolarHBondContact O-NH1 2.86Å; P106-R136 PolarHBondContact O-NH2 3.23Å; V132-R136 HydrophobicContact CG1-CG 4.45Å; V132-R136 WeakPolarHBondContact O-CG 3.13Å; V132-R136 PolarHBondContact O-N 2.96Å; D133-R136 WeakPolarHBondContact O-CB 3.4Å; D133-R136 PolarHBondContact O-N 3.14Å; D133-R136 IonicContact OD1-CZ 2.78Å; D133-R136 IonicContact OD1-NH1 3.37Å; D133-R136 PolarHBondContact OD1-NH1 3.47Å; R136-W139 PolarHBondContact O-N 3.08Å; R136-Q140 VanDerWaalsContact O-CB 3.27Å; R136-Q140 WeakPolarHBondContact O-CB 3.4Å; R136-Q140 PolarHBondContact O-N 2.74Å; R136-F177 HydrophobicContact CB-CE2 4.25Å; R136-F177 HydrophobicContact CG-CE2 3.74Å
137M98.1Very high94.7Very high0 Ų020.9 Ų20.90%010%0.104CC..Hα-helixtrans-60.3-52.1176.9174.1-173.380.400111.9V98 L100 I109 A111 I124 P126 D133 F134 W135 W139 Q140 E141 V260V98-M137 HydrophobicContact CG1-CG 4.07Å; V98-M137 HydrophobicContact CG2-SD 4.4Å; L100-M137 HydrophobicContact CD2-CB 3.93Å; I109-M137 HydrophobicContact CD1-CB 4.04Å; I109-M137 HydrophobicContact CD1-SD 3.87Å; I109-M137 HydrophobicContact CG2-SD 4.49Å; A111-M137 HydrophobicContact CB-SD 3.56Å; A111-M137 VanDerWaalsContact CB-SD 3.56Å; I124-M137 HydrophobicContact CD1-CG 4.43Å; I124-M137 HydrophobicContact CG2-CE 4.04Å; I124-M137 HydrophobicContact CG2-SD 3.54Å; I124-M137 VanDerWaalsContact CG2-SD 3.54Å; P126-M137 HydrophobicContact CB-CE 3.99Å; P126-M137 HydrophobicContact CB-SD 4.43Å; P126-M137 HydrophobicContact CG-CE 3.99Å; D133-M137 WeakPolarHBondContact O-CB 3.28Å; D133-M137 PolarHBondContact O-N 2.75Å; F134-M137 HydrophobicContact CD2-CE 3.99Å; F134-M137 HydrophobicContact CE2-CE 4.18Å; F134-M137 WeakPolarHBondContact O-CB 3.45Å; F134-M137 PolarHBondContact O-N 2.87Å; W135-M137 VanDerWaalsContact C-N 3.34Å; W135-M137 PolarHBondContact O-N 3.36Å; M137-W139 VanDerWaalsContact C-N 3.26Å; M137-W139 PolarHBondContact O-N 2.61Å; M137-Q140 PolarHBondContact O-N 3.16Å; M137-E141 HydrophobicContact CG-CG 4.36Å; M137-E141 WeakPolarHBondContact O-CB 3.49Å; M137-E141 WeakPolarHBondContact O-CG 3.24Å; M137-E141 PolarHBondContact O-N 3.14Å; M137-V260 HydrophobicContact CE-CG1 4.19Å; M137-V260 HydrophobicContact CE-CG2 4.16Å
138V98.1Very high95.3Very high2 Ų220.7 Ų20.71%0.01210%0.103CC..Hα-helixtrans-55.5-44.1179.2162.10000111.1F134 W135 K142 C143 I197 I208 V260F134-V138 HydrophobicContact CD1-CG2 4.31Å; F134-V138 HydrophobicContact CE1-CG2 3.86Å; F134-V138 HydrophobicContact CE2-CG2 4.43Å; F134-V138 HydrophobicContact CZ-CG2 3.92Å; F134-V138 VanDerWaalsContact O-CG2 3.31Å; F134-V138 WeakPolarHBondContact O-CG2 3.44Å; F134-V138 PolarHBondContact O-N 3.03Å; W135-V138 HydrophobicContact CE3-CB 4.18Å; W135-V138 HydrophobicContact CE3-CG1 4.01Å; W135-V138 HydrophobicContact CE3-CG2 4.48Å; W135-V138 HydrophobicContact CZ3-CG1 4.08Å; W135-V138 PolarHBondContact O-N 3.18Å; V138-K142 PolarHBondContact O-N 3.38Å; V138-C143 HydrophobicContact CG1-CB 4.28Å; V138-C143 PolarHBondContact O-N 3.46Å; V138-I197 HydrophobicContact CG1-CD1 4.09Å; V138-I208 HydrophobicContact CG1-CD1 3.3Å; V138-I208 HydrophobicContact CG2-CD1 4.49Å; V138-V260 HydrophobicContact CG2-CG2 4.18Å
139W98.1Very high96.1Very high35 Ų3520.6 Ų20.613%0.13310%0.102CC..Hα-helixtrans-67.7-47.9179-173.9-94.8000112.6W135 R136 M137 K142 F177 I197 C199 E204 R206W135-W139 WeakPolarHBondContact O-CB 3.37Å; W135-W139 PolarHBondContact O-N 3.27Å; R136-W139 PolarHBondContact O-N 3.08Å; M137-W139 VanDerWaalsContact C-N 3.26Å; M137-W139 PolarHBondContact O-N 2.61Å; W139-K142 PolarHBondContact O-N 2.7Å; W139-F177 HydrophobicContact CB-CD1 4.44Å; W139-F177 HydrophobicContact CB-CE1 3.59Å; W139-F177 HydrophobicContact CB-CZ 3.65Å; W139-F177 AromaticContact CD1-CE1 3.91Å; W139-F177 HydrophobicContact CD2-CD1 4.3Å; W139-F177 AromaticContact CD2-CE1 3.57Å; W139-F177 HydrophobicContact CD2-CE1 3.57Å; W139-F177 HydrophobicContact CD2-CZ 4.4Å; W139-F177 HydrophobicContact CE3-CD1 4.2Å; W139-F177 AromaticContact CE3-CE1 3.93Å; W139-F177 HydrophobicContact CE3-CE1 3.93Å; W139-F177 HydrophobicContact CG-CD1 4.41Å; W139-F177 AromaticContact CG-CE1 3.4Å; W139-F177 HydrophobicContact CG-CE1 3.4Å; W139-F177 VanDerWaalsContact CG-CE1 3.4Å; W139-F177 AromaticContact CG-CZ 3.77Å; W139-F177 HydrophobicContact CG-CZ 3.77Å; W139-I197 HydrophobicContact CE3-CG2 4.04Å; W139-I197 HydrophobicContact CZ3-CB 4.42Å; W139-I197 HydrophobicContact CZ3-CG2 4.15Å; W139-C199 HydrophobicContact CH2-CB 3.79Å; W139-C199 HydrophobicContact CZ2-CB 3.64Å; W139-C199 HydrophobicContact CZ3-CB 4.27Å; W139-E204 HydrophobicContact CH2-CB 3.74Å; W139-E204 WeakPolarHBondContact CH2-O 3.4Å; W139-E204 HydrophobicContact CZ2-CB 3.78Å; W139-R206 HydrophobicContact CE3-CG 4.43Å; W139-R206 HydrophobicContact CH2-CG 3.82Å; W139-R206 HydrophobicContact CZ3-CB 3.97Å; W139-R206 HydrophobicContact CZ3-CG 3.66Å; W139-R206 PolarHBondContact O-NH1 3.19Å
140Q97.9Very high96.3Very high48 Ų4818.3 Ų18.322%0.2249%0.09CC..Hα-helixtrans-61.6-49-179179.8-179.9-71.900111.8V99 R136 M137 K142V99-Q140 PolarHBondContact O-NE2 3.19Å; R136-Q140 VanDerWaalsContact O-CB 3.27Å; R136-Q140 WeakPolarHBondContact O-CB 3.4Å; R136-Q140 PolarHBondContact O-N 2.74Å; M137-Q140 PolarHBondContact O-N 3.16Å; Q140-K142 PolarHBondContact O-N 3.45Å
141E98.1Very high96.2Very high44 Ų4419.5 Ų19.521%0.20610%0.098CC..THydrogen-bonded Turntrans-81.24.4-175.9-58.7-54.314300112.9V98 F113 I124 M137 C143V98-E141 HydrophobicContact CG1-CG 4.29Å; F113-E141 HydrophobicContact CE1-CG 4.46Å; F113-E141 HydrophobicContact CZ-CG 4.28Å; F113-E141 WeakPolarHBondContact CZ-OE2 3.3Å; I124-E141 HydrophobicContact CD1-CB 3.87Å; I124-E141 HydrophobicContact CD1-CG 3.76Å; M137-E141 HydrophobicContact CG-CG 4.36Å; M137-E141 WeakPolarHBondContact O-CB 3.49Å; M137-E141 WeakPolarHBondContact O-CG 3.24Å; M137-E141 PolarHBondContact O-N 3.14Å; E141-C143 PolarHBondContact O-N 2.89Å; E141-C143 VanDerWaalsContact O-N 3.17Å
142K98.3Very high95.9Very high101 Ų10120.2 Ų20.244%0.43910%0.099SC..THydrogen-bonded Turntrans56.229.9178.9-56.2178.2-177.2176.90112.5V138 W139 Q140 V144 F247 W250 P257V138-K142 PolarHBondContact O-N 3.38Å; W139-K142 PolarHBondContact O-N 2.7Å; Q140-K142 PolarHBondContact O-N 3.45Å; K142-V144 PolarHBondContact O-N 3.48Å; K142-F247 HydrophobicContact CB-CE2 3.87Å; K142-F247 HydrophobicContact CB-CZ 3.87Å; K142-F247 HydrophobicContact CD-CZ 4.46Å; K142-F247 HydrophobicContact CG-CZ 4.24Å; K142-F247 WeakPolarHBondContact O-CE2 3.45Å; K142-W250 HydrophobicContact CB-CZ3 4.35Å; K142-W250 HydrophobicContact CD-CZ3 3.99Å; K142-P257 HydrophobicContact CB-CB 4.39Å; K142-P257 WeakPolarHBondContact O-CB 3.48Å; K142-P257 WeakPolarHBondContact O-CG 3.24Å
143C98.6Very high95.3Very high8 Ų821.5 Ų21.55%0.05411%0.107CC..  trans-60.7128.7-178.8-60.80000110.1V138 E141 P258 V260V138-C143 HydrophobicContact CG1-CB 4.28Å; V138-C143 PolarHBondContact O-N 3.46Å; E141-C143 PolarHBondContact O-N 2.89Å; E141-C143 VanDerWaalsContact O-N 3.17Å; C143-P258 PolarHBondContact SG-O 3.46Å; C143-V260 HydrophobicContact CB-CG2 3.89Å; C143-V260 VanDerWaalsContact SG-CG2 3.58Å
144V98.6Very high94.6Very high1 Ų122 Ų221%0.00611%0.109CC..  trans-104.6-11178.5-59.90000113K142 M209 Q239 M242 V246 F247 P257K142-V144 PolarHBondContact O-N 3.48Å; V144-M209 PolarHBondContact O-N 2.93Å; V144-M209 VanDerWaalsContact O-N 3.09Å; V144-Q239 VanDerWaalsContact CG2-OE1 3.28Å; V144-M242 HydrophobicContact CB-CB 3.82Å; V144-M242 HydrophobicContact CG2-CB 3.89Å; V144-V246 HydrophobicContact CG1-CB 4.16Å; V144-V246 HydrophobicContact CG1-CG1 4.39Å; V144-V246 HydrophobicContact CG1-CG2 4.46Å; V144-F247 HydrophobicContact CG1-CD2 3.68Å; V144-F247 HydrophobicContact CG1-CE2 3.57Å; V144-P257 HydrophobicContact CG1-CG 4.19Å; V144-P257 HydrophobicContact CG2-CG 4.31Å
145L98.8Very high93.9Very high0 Ų028.6 Ų28.60%014%0.144CC..EExtended strand (participates in β ladder)trans-139.5133.9-176.5-175.264.2000111.6V147 M209 L211 V235 A238 Q239 I259 V260L145-V147 HydrophobicContact CD2-CG2 4.25Å; L145-V147 HydrophobicContact CG-CG2 4.25Å; L145-M209 CarbonylContact C-O 3.59Å; L145-M209 WeakPolarHBondContact CA-O 3.43Å; L145-M209 HydrophobicContact CD1-CB 3.92Å; L145-M209 HydrophobicContact CD1-CG 4.06Å; L145-M209 HydrophobicContact CD1-SD 4.34Å; L145-L211 HydrophobicContact CD1-CD1 4.07Å; L145-L211 HydrophobicContact CD1-CG 3.99Å; L145-V235 HydrophobicContact CD2-CG1 3.95Å; L145-V235 WeakPolarHBondContact CD2-O 3.43Å; L145-A238 HydrophobicContact CD1-CB 4.04Å; L145-A238 HydrophobicContact CD2-CB 4.16Å; L145-Q239 HydrophobicContact CD2-CB 3.95Å; L145-I259 HydrophobicContact CB-CG2 4.35Å; L145-I259 HydrophobicContact CD2-CD1 4.26Å; L145-I259 HydrophobicContact CD2-CG1 4.38Å; L145-I259 HydrophobicContact CD2-CG2 4.07Å; L145-I259 HydrophobicContact CG-CG2 4.15Å; L145-V260 PolarHBondContact O-N 3.18Å; L145-V260 VanDerWaalsContact O-N 3.09Å
146V98.4Very high93.2Very high3 Ų331.9 Ų31.92%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-115.7133.6167.7-174.10000108.8F134 I208 M209 L210 L211 V260F134-V146 HydrophobicContact CZ-CG1 4.23Å; F134-V146 HydrophobicContact CZ-CG2 4.27Å; V146-I208 HydrophobicContact CG2-CD1 3.62Å; V146-I208 HydrophobicContact CG2-CG1 4.2Å; V146-M209 PolarHBondContact N-O 2.82Å; V146-L210 HydrophobicContact CB-CD1 3.66Å; V146-L210 HydrophobicContact CG1-CD1 3.53Å; V146-L210 CarbonylContact O-C 3.47Å; V146-L210 WeakPolarHBondContact O-CA 3.32Å; V146-L211 PolarHBondContact O-N 2.72Å; V146-V260 CarbonylContact C-O 3.48Å; V146-V260 WeakPolarHBondContact CA-O 3.33Å; V146-V260 HydrophobicContact CB-CB 4.46Å; V146-V260 HydrophobicContact CG1-CB 4.26Å; V146-V260 HydrophobicContact CG1-CG1 4.17Å; V146-V260 HydrophobicContact CG2-CB 4.18Å
147V97.8Very high92.5Very high0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-116.2115.7174.6179.80000108.5L145 V149 F231 V235 I259 V260 V261 H262 F273L145-V147 HydrophobicContact CD2-CG2 4.25Å; L145-V147 HydrophobicContact CG-CG2 4.25Å; V147-V149 HydrophobicContact CG1-CG2 3.94Å; V147-F231 HydrophobicContact CG1-CE1 3.9Å; V147-F231 HydrophobicContact CG1-CZ 3.85Å; V147-V235 HydrophobicContact CG1-CG2 4.49Å; V147-V235 HydrophobicContact CG2-CG1 3.96Å; V147-V235 HydrophobicContact CG2-CG2 3.94Å; V147-I259 HydrophobicContact CG2-CG2 3.82Å; V147-V260 PolarHBondContact N-O 3.27Å; V147-V261 HydrophobicContact CB-CG1 4.28Å; V147-V261 HydrophobicContact CB-CG2 4.28Å; V147-V261 HydrophobicContact CG1-CG1 4.32Å; V147-V261 WeakPolarHBondContact O-CA 3.41Å; V147-H262 PolarHBondContact O-N 3.01Å; V147-F273 HydrophobicContact CG1-CE1 4.3Å
148M95.6Very high91.8Very high1 Ų145.9 Ų45.91%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-105.3113.1178.4179.2166.9176.700109.3T150 F152 C160 Y163 F164 L210 L211 I212 Y213 H262M148-T150 HydrophobicContact CE-CG2 3.69Å; M148-T150 WeakPolarHBondContact CE-O 3.45Å; M148-T150 HydrophobicContact CG-CG2 3.89Å; M148-T150 WeakPolarHBondContact CG-O 3.3Å; M148-F152 HydrophobicContact CE-CD1 4.04Å; M148-F152 HydrophobicContact CE-CE1 4.17Å; M148-C160 HydrophobicContact CE-CB 3.81Å; M148-Y163 HydrophobicContact SD-CE1 4.05Å; M148-Y163 PolarHBondContact SD-OH 2.74Å; M148-F164 HydrophobicContact SD-CE1 4.3Å; M148-L210 HydrophobicContact CB-CD1 3.95Å; M148-L211 PolarHBondContact N-O 3.33Å; M148-I212 HydrophobicContact CB-CG1 4.32Å; M148-I212 HydrophobicContact CG-CG2 4.39Å; M148-I212 CarbonylContact O-C 3.59Å; M148-I212 WeakPolarHBondContact O-CA 3.25Å; M148-I212 HydrophobicContact SD-CG1 4.42Å; M148-Y213 PolarHBondContact O-N 3.44Å; M148-H262 WeakPolarHBondContact CB-NE2 2.9Å; M148-H262 VanDerWaalsContact CG-CE1 3.47Å; M148-H262 WeakPolarHBondContact CG-CE1 3.49Å
149V93.3Very high91.1Very high0 Ų046.9 Ų46.90%024%0.242CC..  trans-106.251.1-179.5-161.10000109.9V147 Y213 W216 V261 H262 R269 F273V147-V149 HydrophobicContact CG1-CG2 3.94Å; V149-Y213 HydrophobicContact CG1-CD1 4.1Å; V149-W216 HydrophobicContact CG1-CB 4.17Å; V149-W216 HydrophobicContact CG1-CD2 4.03Å; V149-W216 HydrophobicContact CG1-CE3 3.5Å; V149-W216 VanDerWaalsContact CG1-CE3 3.5Å; V149-W216 HydrophobicContact CG1-CG 4.33Å; V149-W216 HydrophobicContact CG1-CZ3 4.22Å; V149-V261 HydrophobicContact CG2-CG1 4.35Å; V149-H262 PolarHBondContact N-O 3.45Å; V149-R269 HydrophobicContact CB-CB 4.13Å; V149-R269 HydrophobicContact CG1-CB 3.81Å; V149-R269 WeakPolarHBondContact O-CD 3.25Å; V149-R269 VanDerWaalsContact O-CZ 3.26Å; V149-R269 PolarHBondContact O-NE 3.43Å; V149-R269 PolarHBondContact O-NH1 3.35Å; V149-F273 HydrophobicContact CG2-CB 4.37Å
150T89Confident90.5Very high1 Ų145.3 Ų45.31%0.00624%0.236CC..SBendtrans-167.4166.8179.6-169.70000108.8M148 E154 K159 C160 C263 R269M148-T150 HydrophobicContact CE-CG2 3.69Å; M148-T150 WeakPolarHBondContact CE-O 3.45Å; M148-T150 HydrophobicContact CG-CG2 3.89Å; M148-T150 WeakPolarHBondContact CG-O 3.3Å; T150-E154 WeakPolarHBondContact CA-OE1 3.29Å; T150-E154 PolarHBondContact OG1-OE1 3.09Å; T150-E154 VanDerWaalsContact OG1-OE1 3.12Å; T150-K159 WeakPolarHBondContact OG1-CB 3.42Å; T150-C160 HydrophobicContact CG2-CB 4.25Å; T150-C263 HydrophobicContact CG2-CB 4.5Å; T150-R269 VanDerWaalsContact CB-NH2 3.33Å; T150-R269 PolarHBondContact OG1-NH2 3.36Å
151T84.9Confident90Very high48 Ų4845.7 Ų45.729%0.29424%0.238SC..  trans-100.5179159.667.50000110.6V153 E154 K159T151-V153 PolarHBondContact OG1-O 2.96Å; T151-E154 PolarHBondContact N-OE1 2.81Å; T151-E154 WeakPolarHBondContact OG1-CG 3.39Å; T151-K159 WeakPolarHBondContact O-CB 3.48Å
152F85.7Confident89.6Confident50 Ų5047 Ų4722%0.21925%0.249CC..SBendtrans-67.3-40.1172.9-63.9-57.5000112.4M148 K159 C160 E161 V162 Y163 F164 T166M148-F152 HydrophobicContact CE-CD1 4.04Å; M148-F152 HydrophobicContact CE-CE1 4.17Å; F152-K159 PolarHBondContact O-N 3.48Å; F152-C160 HydrophobicContact CD1-CB 4.07Å; F152-C160 WeakPolarHBondContact CD1-O 3.4Å; F152-C160 PolarHBondContact O-N 2.88Å; F152-E161 WeakPolarHBondContact CE1-O 3.46Å; F152-V162 HydrophobicContact CD1-CG2 4.29Å; F152-V162 HydrophobicContact CE1-CB 4.45Å; F152-V162 HydrophobicContact CE1-CG2 4.12Å; F152-V162 HydrophobicContact CE2-CG2 4.38Å; F152-V162 HydrophobicContact CG-CG2 4.49Å; F152-V162 HydrophobicContact CZ-CG2 4.12Å; F152-Y163 HydrophobicContact CE1-CE1 4.38Å; F152-F164 AromaticContact CE1-CE1 3.88Å; F152-F164 HydrophobicContact CE1-CE1 3.88Å; F152-F164 HydrophobicContact CE1-CZ 4.01Å; F152-F164 HydrophobicContact CE2-CE2 4.23Å; F152-F164 AromaticContact CE2-CZ 3.84Å; F152-F164 HydrophobicContact CE2-CZ 3.84Å; F152-F164 HydrophobicContact CZ-CD1 4.3Å; F152-F164 AromaticContact CZ-CE1 3.48Å; F152-F164 HydrophobicContact CZ-CE1 3.48Å; F152-F164 VanDerWaalsContact CZ-CE1 3.48Å; F152-F164 AromaticContact CZ-CE2 3.75Å; F152-F164 HydrophobicContact CZ-CE2 3.75Å; F152-F164 AromaticContact CZ-CZ 3.17Å; F152-F164 HydrophobicContact CZ-CZ 3.17Å; F152-T166 HydrophobicContact CE2-CG2 4.15Å
153V83.1Confident89.4Confident87 Ų8742.4 Ų42.453%0.52723%0.229SC..EExtended strand (participates in β ladder)trans-131.9127.4179.8-178.20000109.3T151 R157T151-V153 PolarHBondContact OG1-O 2.96Å; V153-R157 WeakPolarHBondContact CA-O 3.07Å
154E83.4Confident89.2Confident22 Ų2242.2 Ų42.210%0.10323%0.227CC..EExtended strand (participates in β ladder)trans-130.9128.1176.2-61175.3164.800108.4T150 T151 G156 R157 K159 D218 R269T150-E154 WeakPolarHBondContact CA-OE1 3.29Å; T150-E154 PolarHBondContact OG1-OE1 3.09Å; T150-E154 VanDerWaalsContact OG1-OE1 3.12Å; T151-E154 PolarHBondContact N-OE1 2.81Å; T151-E154 WeakPolarHBondContact OG1-CG 3.39Å; E154-G156 PolarHBondContact O-N 2.82Å; E154-R157 PolarHBondContact N-O 2.8Å; E154-R157 PolarHBondContact O-N 2.54Å; E154-K159 HydrophobicContact CB-CD 4.48Å; E154-K159 HydrophobicContact CB-CG 3.8Å; E154-K159 HydrophobicContact CG-CG 3.83Å; E154-D218 HydrophobicContact CB-CB 4.42Å; E154-D218 WeakPolarHBondContact OE2-CB 3.41Å; E154-R269 VanDerWaalsContact CD-NH1 3.27Å; E154-R269 IonicContact OE1-CZ 2.63Å; E154-R269 IonicContact OE1-NH1 3.98Å; E154-R269 PolarHBondContact OE1-NH1 2.7Å; E154-R269 IonicContact OE1-NH2 2.68Å; E154-R269 PolarHBondContact OE1-NH2 2.81Å; E154-R269 IonicContact OE2-CZ 3.4Å; E154-R269 VanDerWaalsContact OE2-CZ 3.23Å; E154-R269 IonicContact OE2-NH1 2.94Å; E154-R269 PolarHBondContact OE2-NH1 3.41Å; E154-R269 IonicContact OE2-NH2 3.49Å; E154-R269 PolarHBondContact OE2-NH2 2.74Å
155D82.2Confident89Confident140 Ų14042.2 Ų42.275%0.74923%0.227SC*.THydrogen-bonded Turntrans4941.7-177.4-58.4-34.6000112.9R157D155-R157 PolarHBondContact O-N 2.86Å
156G81.8Confident88.7Confident73 Ų7346.6 Ų46.675%0.75325%0.254SS*.THydrogen-bonded Turntrans73.54179.600000115.3E154E154-G156 PolarHBondContact O-N 2.82Å
157R82.7Confident88.4Confident177 Ų17748.5 Ų48.567%0.66827%0.267SS*.EExtended strand (participates in β ladder)trans-105.3132.8178.6-62.1-179.4-175.4-178.21.4110.5V153 E154 D155 K159V153-R157 WeakPolarHBondContact CA-O 3.07Å; E154-R157 PolarHBondContact N-O 2.8Å; E154-R157 PolarHBondContact O-N 2.54Å; D155-R157 PolarHBondContact O-N 2.86Å; R157-K159 PolarHBondContact O-N 3.19Å
158E84.4Confident88.1Confident123 Ų12352.3 Ų52.358%0.57529%0.294SS*.EExtended strand (participates in β ladder)trans-63.8122.6171.2-170.4-179.6-177.300110.2
159K82.6Confident87.9Confident22 Ų2259.4 Ų59.410%0.09633%0.332CS..  trans-109.4-28.8-179.5-61.8-57.5177.2-178.70112.3R86 T150 T151 F152 E154 R157 D218 S264R86-K159 PolarHBondContact NH1-O 3.46Å; R86-K159 PolarHBondContact NH2-O 3.03Å; T150-K159 WeakPolarHBondContact OG1-CB 3.42Å; T151-K159 WeakPolarHBondContact O-CB 3.48Å; F152-K159 PolarHBondContact O-N 3.48Å; E154-K159 HydrophobicContact CB-CD 4.48Å; E154-K159 HydrophobicContact CB-CG 3.8Å; E154-K159 HydrophobicContact CG-CG 3.83Å; R157-K159 PolarHBondContact O-N 3.19Å; K159-D218 WeakPolarHBondContact CE-OD2 3.23Å; K159-D218 IonicContact NZ-OD2 2.58Å; K159-D218 PolarHBondContact NZ-OD2 3.1Å; K159-S264 VanDerWaalsContact O-CA 3.26Å; K159-S264 WeakPolarHBondContact O-CA 3.34Å; K159-S264 VanDerWaalsContact O-CB 3.24Å; K159-S264 WeakPolarHBondContact O-CB 3.41Å; K159-S264 PolarHBondContact O-OG 2.95Å
160C85.3Confident87.9Confident3 Ų364.1 Ų64.12%0.0235%0.354CS..SBendtrans-150.4136.6-178.9-1730000108.7M148 T150 F152M148-C160 HydrophobicContact CE-CB 3.81Å; T150-C160 HydrophobicContact CG2-CB 4.25Å; F152-C160 HydrophobicContact CD1-CB 4.07Å; F152-C160 WeakPolarHBondContact CD1-O 3.4Å; F152-C160 PolarHBondContact O-N 2.88Å
161E87Confident88.2Confident56 Ų5667.5 Ų67.526%0.26237%0.372SS..  trans-69158.6169.8-66.7175-155.800110.1L131 F152 Y163L131-E161 HydrophobicContact CD1-CB 4.48Å; L131-E161 HydrophobicContact CD2-CB 3.87Å; L131-E161 WeakPolarHBondContact CD2-OE2 3.41Å; F152-E161 WeakPolarHBondContact CE1-O 3.46Å; E161-Y163 WeakPolarHBondContact O-CD1 3.41Å; E161-Y163 PolarHBondContact O-N 3.02Å
162V90.7Very high88.8Confident72 Ų7266.9 Ų66.944%0.43637%0.367SS..  trans-77.9105.5173.6177.40000108.6F152 F164 T166 L172F152-V162 HydrophobicContact CD1-CG2 4.29Å; F152-V162 HydrophobicContact CE1-CB 4.45Å; F152-V162 HydrophobicContact CE1-CG2 4.12Å; F152-V162 HydrophobicContact CE2-CG2 4.38Å; F152-V162 HydrophobicContact CG-CG2 4.49Å; F152-V162 HydrophobicContact CZ-CG2 4.12Å; V162-F164 VanDerWaalsContact CG1-O 3.28Å; V162-F164 WeakPolarHBondContact CG1-O 3.39Å; V162-T166 HydrophobicContact CG1-CG2 4.39Å; V162-L172 HydrophobicContact CG1-CD1 4.39Å
163Y93.6Very high89.4Confident3 Ų370 Ų701%0.01239%0.385CS..  trans-109.610.4-178.565.4-81.3000112.7K128 F134 W135 M148 F152 E161 F174 L210 H262K128-Y163 HydrophobicContact CD-CD1 3.75Å; K128-Y163 HydrophobicContact CD-CE1 4.01Å; K128-Y163 HydrophobicContact CD-CG 4.16Å; K128-Y163 VanDerWaalsContact NZ-CD1 3.31Å; K128-Y163 PolarHBondContact NZ-OH 3.27Å; K128-Y163 VanDerWaalsContact NZ-OH 3.14Å; F134-Y163 AromaticContact CD1-CD2 3.95Å; F134-Y163 HydrophobicContact CD1-CD2 3.95Å; F134-Y163 AromaticContact CE1-CD2 3.5Å; F134-Y163 HydrophobicContact CE1-CD2 3.5Å; F134-Y163 VanDerWaalsContact CE1-CD2 3.5Å; F134-Y163 AromaticContact CE1-CE2 3.75Å; F134-Y163 HydrophobicContact CE1-CE2 3.75Å; F134-Y163 AromaticContact CZ-CD2 4Å; F134-Y163 HydrophobicContact CZ-CD2 4Å; F134-Y163 AromaticContact CZ-CE2 3.84Å; F134-Y163 HydrophobicContact CZ-CE2 3.84Å; W135-Y163 VanDerWaalsContact CE2-O 3.28Å; W135-Y163 HydrophobicContact CZ2-CD2 4.16Å; W135-Y163 WeakPolarHBondContact CZ2-O 3.35Å; W135-Y163 PolarHBondContact NE1-O 2.79Å; M148-Y163 HydrophobicContact SD-CE1 4.05Å; M148-Y163 PolarHBondContact SD-OH 2.74Å; F152-Y163 HydrophobicContact CE1-CE1 4.38Å; E161-Y163 WeakPolarHBondContact O-CD1 3.41Å; E161-Y163 PolarHBondContact O-N 3.02Å; Y163-F174 VanDerWaalsContact O-CE2 3.23Å; Y163-F174 WeakPolarHBondContact O-CE2 3.37Å; Y163-F174 WeakPolarHBondContact O-CZ 3.33Å; Y163-L210 VanDerWaalsContact OH-CD1 3.3Å; Y163-L210 WeakPolarHBondContact OH-CD1 3.48Å; Y163-H262 AromaticContact CZ-NE2 3.75Å; Y163-H262 PolarHBondContact OH-NE2 3.31Å
164F94.8Very high90Very high4 Ų466.8 Ų66.82%0.01836%0.364CS..SBendtrans-153.2153.1-178.958.7-98.7000110.5W135 M148 F152 V162 T166 L172 L193 F195 L210 I212W135-F164 HydrophobicContact CZ2-CB 4.4Å; M148-F164 HydrophobicContact SD-CE1 4.3Å; F152-F164 AromaticContact CE1-CE1 3.88Å; F152-F164 HydrophobicContact CE1-CE1 3.88Å; F152-F164 HydrophobicContact CE1-CZ 4.01Å; F152-F164 HydrophobicContact CE2-CE2 4.23Å; F152-F164 AromaticContact CE2-CZ 3.84Å; F152-F164 HydrophobicContact CE2-CZ 3.84Å; F152-F164 HydrophobicContact CZ-CD1 4.3Å; F152-F164 AromaticContact CZ-CE1 3.48Å; F152-F164 HydrophobicContact CZ-CE1 3.48Å; F152-F164 VanDerWaalsContact CZ-CE1 3.48Å; F152-F164 AromaticContact CZ-CE2 3.75Å; F152-F164 HydrophobicContact CZ-CE2 3.75Å; F152-F164 AromaticContact CZ-CZ 3.17Å; F152-F164 HydrophobicContact CZ-CZ 3.17Å; V162-F164 VanDerWaalsContact CG1-O 3.28Å; V162-F164 WeakPolarHBondContact CG1-O 3.39Å; F164-T166 HydrophobicContact CE2-CG2 4.24Å; F164-L172 VanDerWaalsContact C-CD1 3.42Å; F164-L193 HydrophobicContact CE2-CD2 4.11Å; F164-F195 HydrophobicContact CB-CE1 3.83Å; F164-F195 HydrophobicContact CB-CE2 4.37Å; F164-F195 HydrophobicContact CB-CZ 3.73Å; F164-F195 AromaticContact CD2-CE1 3.99Å; F164-F195 HydrophobicContact CD2-CE1 3.99Å; F164-F195 HydrophobicContact CD2-CE2 4.45Å; F164-F195 AromaticContact CD2-CZ 3.48Å; F164-F195 HydrophobicContact CD2-CZ 3.48Å; F164-F195 VanDerWaalsContact CD2-CZ 3.48Å; F164-F195 HydrophobicContact CE2-CZ 4.21Å; F164-F195 HydrophobicContact CG-CE1 4.24Å; F164-F195 HydrophobicContact CG-CE2 4.42Å; F164-F195 AromaticContact CG-CZ 3.74Å; F164-F195 HydrophobicContact CG-CZ 3.74Å; F164-L210 HydrophobicContact CD1-CD2 3.88Å; F164-L210 HydrophobicContact CE1-CD2 3.46Å; F164-L210 VanDerWaalsContact CE1-CD2 3.46Å; F164-L210 HydrophobicContact CE2-CD2 4.19Å; F164-L210 HydrophobicContact CG-CD2 4.37Å; F164-L210 HydrophobicContact CZ-CD2 3.61Å; F164-I212 HydrophobicContact CZ-CD1 4.12Å
165P94.9Very high90.6Very high1 Ų167.8 Ų67.81%0.00638%0.381CS..  trans-65.9132.5176.826.2-34.3000111.3E170 L172 V179 L181 F195P165-E170 WeakPolarHBondContact CB-O 3.23Å; P165-L172 HydrophobicContact CB-CD1 4.5Å; P165-L172 HydrophobicContact CB-CG 4.13Å; P165-V179 HydrophobicContact CG-CG1 4.39Å; P165-V179 WeakPolarHBondContact CG-O 3.42Å; P165-L181 HydrophobicContact CG-CB 4.08Å; P165-F195 HydrophobicContact CG-CD1 4.03Å; P165-F195 HydrophobicContact CG-CE1 3.9Å
166T92.5Very high91.3Very high92 Ų9262.4 Ų62.456%0.56435%0.353SS*.SBendtrans-93.6-5.6179.355.20000113.2F152 V162 F164F152-T166 HydrophobicContact CE2-CG2 4.15Å; V162-T166 HydrophobicContact CG1-CG2 4.39Å; F164-T166 HydrophobicContact CE2-CG2 4.24Å
167S92.2Very high92.1Very high43 Ų4359.1 Ų59.130%0.30132%0.318SS..SBendtrans-126.8153.1174-177.30000110.5D169S167-D169 PolarHBondContact O-N 2.84Å; S167-D169 PolarHBondContact OG-N 3.18Å
168S91.2Very high92.8Very high80 Ų8054.7 Ų54.756%0.55930%0.303SS*.THydrogen-bonded Turntrans-73.1-14.5171.851.80000113.6E170S168-E170 VanDerWaalsContact C-N 3.33Å
169D91.4Very high93.5Very high151 Ų15148.8 Ų48.881%0.80728%0.276SS*.THydrogen-bonded Turntrans-90-2.1-176.8-54-37.9000112.8S167S167-D169 PolarHBondContact O-N 2.84Å; S167-D169 PolarHBondContact OG-N 3.18Å
170E92.7Very high94.2Very high98 Ų9848.6 Ų48.646%0.45828%0.277SS..  trans-126.9133.3-177.4-173.4178.2-171.600110.5P165 S168 L172P165-E170 WeakPolarHBondContact CB-O 3.23Å; S168-E170 VanDerWaalsContact C-N 3.33Å; E170-L172 HydrophobicContact CG-CD2 4.16Å; E170-L172 WeakPolarHBondContact OE1-CD2 3.33Å
171D95.9Very high94.8Very high73 Ų7349.2 Ų49.239%0.3928%0.28SS..EExtended strand (participates in β ladder)trans-103.9134.3167.4-63.5-37.4000108.4K178 V179 S180D171-K178 VanDerWaalsContact CB-CE 3.41Å; D171-K178 HydrophobicContact CB-CG 4.24Å; D171-K178 WeakPolarHBondContact OD2-CE 3.49Å; D171-K178 IonicContact OD2-NZ 3.73Å; D171-K178 PolarHBondContact OD2-NZ 3.36Å; D171-V179 WeakPolarHBondContact CA-O 3.24Å; D171-S180 VanDerWaalsContact CG-OG 3.28Å; D171-S180 WeakPolarHBondContact OD1-CB 3.48Å; D171-S180 PolarHBondContact OD1-OG 3.44Å
172L97.2Very high95.3Very high34 Ų3452.1 Ų52.118%0.17829%0.292CS..EExtended strand (participates in β ladder)trans-102135.8171.9-64.4-174.6000110.4V162 F164 P165 E170 F174 V179V162-L172 HydrophobicContact CG1-CD1 4.39Å; F164-L172 VanDerWaalsContact C-CD1 3.42Å; P165-L172 HydrophobicContact CB-CD1 4.5Å; P165-L172 HydrophobicContact CB-CG 4.13Å; E170-L172 HydrophobicContact CG-CD2 4.16Å; E170-L172 WeakPolarHBondContact OE1-CD2 3.33Å; L172-F174 HydrophobicContact CB-CD2 4.26Å; L172-F174 HydrophobicContact CB-CE2 3.49Å; L172-F174 VanDerWaalsContact CB-CE2 3.49Å; L172-F174 HydrophobicContact CB-CZ 3.79Å; L172-F174 HydrophobicContact CD1-CE2 4.08Å; L172-F174 HydrophobicContact CD1-CZ 3.69Å; L172-F174 HydrophobicContact CG-CE2 4.46Å; L172-F174 HydrophobicContact CG-CZ 4.4Å; L172-V179 PolarHBondContact N-O 3.42Å; L172-V179 PolarHBondContact O-N 2.89Å
173L97Very high95.5Very high115 Ų11553.6 Ų53.660%0.60229%0.294SS*.EExtended strand (participates in β ladder)trans-103.7119175.9-174.768.1000110.2G175 K178 T200L173-G175 WeakPolarHBondContact CD1-O 3.4Å; L173-G175 WeakPolarHBondContact CG-O 3.19Å; L173-K178 HydrophobicContact CD1-CB 4.18Å; L173-T200 HydrophobicContact CD1-CG2 4.37Å
174F96.2Very high95.6Very high20 Ų2057.5 Ų57.59%0.08832%0.318CS..EExtended strand (participates in β ladder)trans-115.892.8175.9-60.7-76.8000109.7L131 W135 Y163 L172 V176 F177 V179L131-F174 HydrophobicContact CB-CD1 3.79Å; L131-F174 HydrophobicContact CB-CE1 3.88Å; L131-F174 HydrophobicContact CD1-CE1 3.91Å; W135-F174 HydrophobicContact CB-CB 4.47Å; W135-F174 VanDerWaalsContact CD1-CB 3.45Å; W135-F174 AromaticContact CD1-CD2 3.31Å; W135-F174 AromaticContact CD1-CG 3.35Å; W135-F174 HydrophobicContact CG-CB 4.2Å; W135-F174 HydrophobicContact CG-CD2 4.31Å; W135-F174 HydrophobicContact CG-CG 4.43Å; W135-F174 AromaticContact NE1-CD2 3.14Å; W135-F174 AromaticContact NE1-CE2 3.39Å; W135-F174 AromaticContact NE1-CG 3.63Å; Y163-F174 VanDerWaalsContact O-CE2 3.23Å; Y163-F174 WeakPolarHBondContact O-CE2 3.37Å; Y163-F174 WeakPolarHBondContact O-CZ 3.33Å; L172-F174 HydrophobicContact CB-CD2 4.26Å; L172-F174 HydrophobicContact CB-CE2 3.49Å; L172-F174 VanDerWaalsContact CB-CE2 3.49Å; L172-F174 HydrophobicContact CB-CZ 3.79Å; L172-F174 HydrophobicContact CD1-CE2 4.08Å; L172-F174 HydrophobicContact CD1-CZ 3.69Å; L172-F174 HydrophobicContact CG-CE2 4.46Å; L172-F174 HydrophobicContact CG-CZ 4.4Å; F174-V176 PolarHBondContact O-N 2.86Å; F174-V176 VanDerWaalsContact O-N 3.11Å; F174-F177 PolarHBondContact N-O 3.13Å; F174-F177 PolarHBondContact O-N 3.33Å; F174-V179 HydrophobicContact CD2-CB 4.49Å; F174-V179 HydrophobicContact CD2-CG2 3.93Å; F174-V179 HydrophobicContact CE2-CG2 4.34Å
175G96.2Very high95.6Very high44 Ų4458.2 Ų58.245%0.45432%0.322SS..THydrogen-bonded Turntrans62.1-112.5-170.800000110.2L173L173-G175 WeakPolarHBondContact CD1-O 3.4Å; L173-G175 WeakPolarHBondContact CG-O 3.19Å
176V97.2Very high95.5Very high27 Ų2767.5 Ų67.516%0.16436%0.356CS..THydrogen-bonded Turntrans-96.11.6179.3-570000113.2L104 F174 C199 T200 L201L104-V176 HydrophobicContact CD1-CG2 3.77Å; F174-V176 PolarHBondContact O-N 2.86Å; F174-V176 VanDerWaalsContact O-N 3.11Å; V176-C199 CarbonylContact O-C 3.57Å; V176-C199 WeakPolarHBondContact O-CA 3.37Å; V176-T200 WeakPolarHBondContact CA-OG1 3.35Å; V176-T200 PolarHBondContact O-N 2.98Å; V176-T200 PolarHBondContact O-OG1 3.17Å; V176-T200 VanDerWaalsContact O-OG1 3.08Å; V176-L201 HydrophobicContact CB-CD1 4.25Å; V176-L201 HydrophobicContact CB-CG 3.97Å; V176-L201 HydrophobicContact CG1-CD1 3.73Å; V176-L201 HydrophobicContact CG1-CD2 4.22Å; V176-L201 HydrophobicContact CG1-CG 3.66Å; V176-L201 HydrophobicContact CG2-CD1 4.3Å; V176-L201 HydrophobicContact CG2-CG 4.45Å
177F98.1Very high95.3Very high4 Ų466 Ų662%0.01834%0.343CS..EExtended strand (participates in β ladder)trans-103.6110.4-177-59.2-68.9000110.6W135 R136 W139 F174 I197 V198 C199W135-F177 HydrophobicContact CB-CB 4.14Å; W135-F177 HydrophobicContact CB-CD2 3.71Å; W135-F177 HydrophobicContact CB-CE2 4.46Å; W135-F177 HydrophobicContact CB-CG 4.09Å; R136-F177 HydrophobicContact CB-CE2 4.25Å; R136-F177 HydrophobicContact CG-CE2 3.74Å; W139-F177 HydrophobicContact CB-CD1 4.44Å; W139-F177 HydrophobicContact CB-CE1 3.59Å; W139-F177 HydrophobicContact CB-CZ 3.65Å; W139-F177 AromaticContact CD1-CE1 3.91Å; W139-F177 HydrophobicContact CD2-CD1 4.3Å; W139-F177 AromaticContact CD2-CE1 3.57Å; W139-F177 HydrophobicContact CD2-CE1 3.57Å; W139-F177 HydrophobicContact CD2-CZ 4.4Å; W139-F177 HydrophobicContact CE3-CD1 4.2Å; W139-F177 AromaticContact CE3-CE1 3.93Å; W139-F177 HydrophobicContact CE3-CE1 3.93Å; W139-F177 HydrophobicContact CG-CD1 4.41Å; W139-F177 AromaticContact CG-CE1 3.4Å; W139-F177 HydrophobicContact CG-CE1 3.4Å; W139-F177 VanDerWaalsContact CG-CE1 3.4Å; W139-F177 AromaticContact CG-CZ 3.77Å; W139-F177 HydrophobicContact CG-CZ 3.77Å; F174-F177 PolarHBondContact N-O 3.13Å; F174-F177 PolarHBondContact O-N 3.33Å; F177-I197 HydrophobicContact CB-CG2 4.09Å; F177-I197 HydrophobicContact CD1-CG2 3.93Å; F177-I197 HydrophobicContact CG-CG2 4.38Å; F177-V198 WeakPolarHBondContact CA-O 3.36Å; F177-C199 HydrophobicContact CD1-CB 4.16Å; F177-C199 HydrophobicContact CE1-CB 3.98Å
178K98.2Very high94.9Very high83 Ų8369 Ų6936%0.36136%0.364SS..EExtended strand (participates in β ladder)trans-86119.9169.4-177179.5178.5-177.30108.9D171 L173 I197 V198 T200D171-K178 VanDerWaalsContact CB-CE 3.41Å; D171-K178 HydrophobicContact CB-CG 4.24Å; D171-K178 WeakPolarHBondContact OD2-CE 3.49Å; D171-K178 IonicContact OD2-NZ 3.73Å; D171-K178 PolarHBondContact OD2-NZ 3.36Å; L173-K178 HydrophobicContact CD1-CB 4.18Å; K178-I197 CarbonylContact O-C 3.51Å; K178-I197 WeakPolarHBondContact O-CA 3.28Å; K178-V198 HydrophobicContact CB-CB 4.4Å; K178-V198 PolarHBondContact N-O 2.98Å; K178-V198 PolarHBondContact O-N 3.36Å; K178-T200 HydrophobicContact CB-CG2 4.39Å
179V98.3Very high94.6Very high0 Ų065.5 Ų65.50%034%0.339CS..EExtended strand (participates in β ladder)trans-114126.6-176.8-173.70000109.6W135 P165 D171 L172 F174 F195 S196W135-V179 HydrophobicContact CD2-CG2 3.99Å; W135-V179 HydrophobicContact CE3-CG2 4.34Å; W135-V179 HydrophobicContact CH2-CG1 3.95Å; W135-V179 HydrophobicContact CH2-CG2 4.25Å; W135-V179 HydrophobicContact CZ2-CB 4.42Å; W135-V179 HydrophobicContact CZ2-CG1 3.86Å; W135-V179 HydrophobicContact CZ2-CG2 3.88Å; W135-V179 HydrophobicContact CZ3-CG2 4.48Å; P165-V179 HydrophobicContact CG-CG1 4.39Å; P165-V179 WeakPolarHBondContact CG-O 3.42Å; D171-V179 WeakPolarHBondContact CA-O 3.24Å; L172-V179 PolarHBondContact N-O 3.42Å; L172-V179 PolarHBondContact O-N 2.89Å; F174-V179 HydrophobicContact CD2-CB 4.49Å; F174-V179 HydrophobicContact CD2-CG2 3.93Å; F174-V179 HydrophobicContact CE2-CG2 4.34Å; V179-F195 HydrophobicContact CG1-CB 4.15Å; V179-F195 HydrophobicContact CG1-CD1 4.03Å; V179-F195 HydrophobicContact CG1-CG 4.29Å; V179-S196 WeakPolarHBondContact CA-O 3.36Å
180S98.2Very high94.6Very high17 Ų1758.3 Ų58.312%0.11930%0.301CS..EExtended strand (participates in β ladder)trans-127.4132.4-176.1-54.70000111.1D171 K182 F195 S196D171-S180 VanDerWaalsContact CG-OG 3.28Å; D171-S180 WeakPolarHBondContact OD1-CB 3.48Å; D171-S180 PolarHBondContact OD1-OG 3.44Å; S180-K182 PolarHBondContact O-N 2.94Å; S180-F195 CarbonylContact O-C 3.5Å; S180-F195 VanDerWaalsContact O-CA 3.23Å; S180-F195 WeakPolarHBondContact O-CA 3.47Å; S180-S196 PolarHBondContact N-O 3.27Å; S180-S196 PolarHBondContact O-N 3.47Å
181L98Very high94.7Very high16 Ų1656.7 Ų56.78%0.08429%0.293CS..EExtended strand (participates in β ladder)trans-76.7120.9174.5179.259.3000110.4P165 V184 L193 F195P165-L181 HydrophobicContact CG-CB 4.08Å; L181-V184 HydrophobicContact CD1-CG2 3.93Å; L181-V184 HydrophobicContact CD2-CG2 3.77Å; L181-V184 HydrophobicContact CG-CG2 4.19Å; L181-L193 HydrophobicContact CD1-CB 4.08Å; L181-L193 HydrophobicContact CD1-CD2 4.06Å; L181-L193 HydrophobicContact CD1-CG 4.35Å; L181-F195 HydrophobicContact CB-CD1 4.08Å; L181-F195 HydrophobicContact CB-CE1 3.9Å; L181-F195 HydrophobicContact CD1-CD1 4.01Å; L181-F195 HydrophobicContact CD1-CE1 3.59Å; L181-F195 HydrophobicContact CD1-CZ 3.95Å; L181-F195 HydrophobicContact CG-CE1 4.29Å
182K96.2Very high94.8Very high117 Ų11753.2 Ų53.251%0.50928%0.275SS..EExtended strand (participates in β ladder)trans-94.7-49.3-180-66.2-69-176.6-178.10112.3S180 L194S180-K182 PolarHBondContact O-N 2.94Å; K182-L194 WeakPolarHBondContact CA-O 3.35Å; K182-L194 HydrophobicContact CB-CD2 4.23Å; K182-L194 HydrophobicContact CB-CG 4.32Å; K182-L194 WeakPolarHBondContact CB-O 3.49Å; K182-L194 PolarHBondContact N-O 3.14Å
183Q95.7Very high94.8Very high104 Ų10452 Ų5249%0.48627%0.269SS..EExtended strand (participates in β ladder)trans-150148.4-173.6-63.9-173-5.900111L12 L193 L194L12-Q183 HydrophobicContact CD1-CB 4.2Å; L12-Q183 HydrophobicContact CD2-CB 4.14Å; Q183-L193 WeakPolarHBondContact O-CA 3.46Å; Q183-L194 HydrophobicContact CB-CB 4.29Å; Q183-L194 PolarHBondContact N-O 3.27Å; Q183-L194 PolarHBondContact O-N 3.11Å
184V95.3Very high94.8Very high85 Ų8546.6 Ų46.652%0.51524%0.24SC..EExtended strand (participates in β ladder)trans-126.7131.7172.9-176.20000108.3L181 V192 L193L181-V184 HydrophobicContact CD1-CG2 3.93Å; L181-V184 HydrophobicContact CD2-CG2 3.77Å; L181-V184 HydrophobicContact CG-CG2 4.19Å; V184-V192 CarbonylContact C-O 3.59Å; V184-V192 WeakPolarHBondContact CA-O 3.38Å; V184-L193 HydrophobicContact CG1-CG 4.41Å; V184-L193 HydrophobicContact CG2-CD2 4.47Å; V184-L193 HydrophobicContact CG2-CG 4.23Å
185E94.7Very high95Very high19 Ų1945.8 Ų45.89%0.08924%0.237CC..EExtended strand (participates in β ladder)trans-130.6134.1174.5175.6-178.7153.800109.5S11 L12 Q187 V192S11-E185 WeakPolarHBondContact CA-OE2 3.47Å; S11-E185 PolarHBondContact OG-OE1 2.79Å; S11-E185 PolarHBondContact OG-OE2 3.35Å; L12-E185 WeakPolarHBondContact CB-OE2 3.49Å; L12-E185 HydrophobicContact CD1-CB 3.95Å; L12-E185 HydrophobicContact CG-CB 4.42Å; L12-E185 PolarHBondContact N-OE2 2.95Å; E185-Q187 PolarHBondContact OE1-NE2 3.26Å; E185-V192 HydrophobicContact CB-CB 4.2Å; E185-V192 PolarHBondContact N-O 2.79Å; E185-V192 PolarHBondContact O-N 3.06Å
186R92.7Very high95Very high196 Ų19644.4 Ų44.474%0.7422%0.22SC*.EExtended strand (participates in β ladder)trans-100.9123177.8-173.2170.5-179.6162.71.2110
187Q88.4Confident95.1Very high59 Ų5943.3 Ų43.328%0.27621%0.213SC..  trans-103.5173.2172.8-70-73.1-8.700109.8E185 T189 C190 V192 L234E185-Q187 PolarHBondContact OE1-NE2 3.26Å; Q187-T189 VanDerWaalsContact C-N 3.29Å; Q187-T189 PolarHBondContact O-N 3.25Å; Q187-C190 CarbonylContact C-O 3.52Å; Q187-C190 WeakPolarHBondContact CA-O 3.34Å; Q187-C190 WeakPolarHBondContact CB-O 3.42Å; Q187-C190 PolarHBondContact N-O 2.93Å; Q187-V192 HydrophobicContact CG-CG2 3.78Å; Q187-L234 HydrophobicContact CG-CD2 4.48Å
188S83.7Confident95.1Very high107 Ų10744.8 Ų44.875%0.74822%0.222SC*.SBendtrans-61.4-33.6-174.559.70000113.9
189T85Confident95.1Very high7 Ų741.2 Ų41.24%0.04321%0.207CC..SBendtrans-123.5-3.2-175.3580000114.1Q187 L214 K227Q187-T189 VanDerWaalsContact C-N 3.29Å; Q187-T189 PolarHBondContact O-N 3.25Å; T189-L214 PolarHBondContact O-N 3.03Å; T189-K227 HydrophobicContact CG2-CB 4.11Å; T189-K227 HydrophobicContact CG2-CD 3.74Å; T189-K227 HydrophobicContact CG2-CG 4.11Å
190C92.6Very high95Very high0 Ų044.1 Ų44.10%023%0.225CC..EExtended strand (participates in β ladder)trans-150.9162.7-177.164.80000113.3Q187 I212 F231 L234Q187-C190 CarbonylContact C-O 3.52Å; Q187-C190 WeakPolarHBondContact CA-O 3.34Å; Q187-C190 WeakPolarHBondContact CB-O 3.42Å; Q187-C190 PolarHBondContact N-O 2.93Å; C190-I212 CarbonylContact C-O 3.55Å; C190-I212 WeakPolarHBondContact CA-O 3.45Å; C190-I212 WeakPolarHBondContact CB-O 3.41Å; C190-F231 HydrophobicContact CB-CD2 4.16Å; C190-F231 HydrophobicContact CB-CE2 3.76Å; C190-L234 WeakPolarHBondContact SG-CD2 3.38Å
191E94.8Very high95Very high63 Ų6348.7 Ų48.729%0.29425%0.248SC..EExtended strand (participates in β ladder)trans-100.1139163.7-54.2-169.3142.900109.3L193 L211 I212 L214E191-L193 HydrophobicContact CB-CD1 3.82Å; E191-L211 WeakPolarHBondContact O-CA 3.06Å; E191-I212 HydrophobicContact CB-CB 4.36Å; E191-I212 PolarHBondContact N-O 3.25Å; E191-I212 PolarHBondContact O-N 3.41Å; E191-L214 HydrophobicContact CG-CD1 3.92Å; E191-L214 HydrophobicContact CG-CD2 4.43Å; E191-L214 HydrophobicContact CG-CG 4.42Å
192V96.9Very high94.9Very high0 Ų051.5 Ų51.50%027%0.266CS..EExtended strand (participates in β ladder)trans-113.3118177.9-172.80000107.5L12 I13 V184 E185 Q187 M209 L210 L211L12-V192 HydrophobicContact CB-CG1 4.07Å; L12-V192 HydrophobicContact CD1-CB 4.33Å; L12-V192 HydrophobicContact CD1-CG1 3.76Å; I13-V192 HydrophobicContact CD1-CG1 3.94Å; I13-V192 HydrophobicContact CD1-CG2 4Å; I13-V192 HydrophobicContact CG1-CG1 4.35Å; V184-V192 CarbonylContact C-O 3.59Å; V184-V192 WeakPolarHBondContact CA-O 3.38Å; E185-V192 HydrophobicContact CB-CB 4.2Å; E185-V192 PolarHBondContact N-O 2.79Å; E185-V192 PolarHBondContact O-N 3.06Å; Q187-V192 HydrophobicContact CG-CG2 3.78Å; V192-M209 HydrophobicContact CG1-CE 4.22Å; V192-M209 HydrophobicContact CG1-CG 3.97Å; V192-M209 HydrophobicContact CG1-SD 3.73Å; V192-L210 WeakPolarHBondContact CA-O 3.27Å; V192-L211 HydrophobicContact CB-CD2 4Å; V192-L211 HydrophobicContact CG1-CD2 3.77Å; V192-L211 HydrophobicContact CG2-CD2 3.61Å
193L97.3Very high94.9Very high10 Ų1052.8 Ų52.85%0.05227%0.274CS..EExtended strand (participates in β ladder)trans-118.8134.7178.4-6680000108.8F164 L181 Q183 V184 E191 F195 M209 L210 I212F164-L193 HydrophobicContact CE2-CD2 4.11Å; L181-L193 HydrophobicContact CD1-CB 4.08Å; L181-L193 HydrophobicContact CD1-CD2 4.06Å; L181-L193 HydrophobicContact CD1-CG 4.35Å; Q183-L193 WeakPolarHBondContact O-CA 3.46Å; V184-L193 HydrophobicContact CG1-CG 4.41Å; V184-L193 HydrophobicContact CG2-CD2 4.47Å; V184-L193 HydrophobicContact CG2-CG 4.23Å; E191-L193 HydrophobicContact CB-CD1 3.82Å; L193-F195 HydrophobicContact CB-CD2 4.36Å; L193-F195 HydrophobicContact CB-CE2 3.56Å; L193-F195 HydrophobicContact CB-CZ 3.81Å; L193-F195 HydrophobicContact CD2-CE2 4.24Å; L193-F195 HydrophobicContact CD2-CZ 3.68Å; L193-F195 HydrophobicContact CG-CZ 4.42Å; L193-M209 CarbonylContact O-C 3.58Å; L193-M209 WeakPolarHBondContact O-CA 3.18Å; L193-L210 HydrophobicContact CB-CB 4.29Å; L193-L210 PolarHBondContact N-O 3.01Å; L193-L210 PolarHBondContact O-N 3.03Å; L193-I212 HydrophobicContact CD1-CD1 3.87Å; L193-I212 HydrophobicContact CD1-CG1 4.24Å
194L98Very high95Very high1 Ų152.6 Ų52.61%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-108.4125.7173.4-178.871.8000108.8L12 K182 Q183 E207 M242L12-L194 HydrophobicContact CD1-CB 4.17Å; L12-L194 HydrophobicContact CD2-CB 4.04Å; L12-L194 HydrophobicContact CD2-CD2 3.88Å; K182-L194 WeakPolarHBondContact CA-O 3.35Å; K182-L194 HydrophobicContact CB-CD2 4.23Å; K182-L194 HydrophobicContact CB-CG 4.32Å; K182-L194 WeakPolarHBondContact CB-O 3.49Å; K182-L194 PolarHBondContact N-O 3.14Å; Q183-L194 HydrophobicContact CB-CB 4.29Å; Q183-L194 PolarHBondContact N-O 3.27Å; Q183-L194 PolarHBondContact O-N 3.11Å; L194-E207 HydrophobicContact CD1-CB 4.23Å; L194-M242 HydrophobicContact CD1-CE 3.77Å; L194-M242 HydrophobicContact CD1-SD 3.96Å
195F98.4Very high95.1Very high3 Ų352.5 Ų52.51%0.01328%0.276CS..EExtended strand (participates in β ladder)trans-115.7153.5177.1-59.6-85.3000111.4F164 P165 V179 S180 L181 L193 E207 I208 L210F164-F195 HydrophobicContact CB-CE1 3.83Å; F164-F195 HydrophobicContact CB-CE2 4.37Å; F164-F195 HydrophobicContact CB-CZ 3.73Å; F164-F195 AromaticContact CD2-CE1 3.99Å; F164-F195 HydrophobicContact CD2-CE1 3.99Å; F164-F195 HydrophobicContact CD2-CE2 4.45Å; F164-F195 AromaticContact CD2-CZ 3.48Å; F164-F195 HydrophobicContact CD2-CZ 3.48Å; F164-F195 VanDerWaalsContact CD2-CZ 3.48Å; F164-F195 HydrophobicContact CE2-CZ 4.21Å; F164-F195 HydrophobicContact CG-CE1 4.24Å; F164-F195 HydrophobicContact CG-CE2 4.42Å; F164-F195 AromaticContact CG-CZ 3.74Å; F164-F195 HydrophobicContact CG-CZ 3.74Å; P165-F195 HydrophobicContact CG-CD1 4.03Å; P165-F195 HydrophobicContact CG-CE1 3.9Å; V179-F195 HydrophobicContact CG1-CB 4.15Å; V179-F195 HydrophobicContact CG1-CD1 4.03Å; V179-F195 HydrophobicContact CG1-CG 4.29Å; S180-F195 CarbonylContact O-C 3.5Å; S180-F195 VanDerWaalsContact O-CA 3.23Å; S180-F195 WeakPolarHBondContact O-CA 3.47Å; L181-F195 HydrophobicContact CB-CD1 4.08Å; L181-F195 HydrophobicContact CB-CE1 3.9Å; L181-F195 HydrophobicContact CD1-CD1 4.01Å; L181-F195 HydrophobicContact CD1-CE1 3.59Å; L181-F195 HydrophobicContact CD1-CZ 3.95Å; L181-F195 HydrophobicContact CG-CE1 4.29Å; L193-F195 HydrophobicContact CB-CD2 4.36Å; L193-F195 HydrophobicContact CB-CE2 3.56Å; L193-F195 HydrophobicContact CB-CZ 3.81Å; L193-F195 HydrophobicContact CD2-CE2 4.24Å; L193-F195 HydrophobicContact CD2-CZ 3.68Å; L193-F195 HydrophobicContact CG-CZ 4.42Å; F195-E207 VanDerWaalsContact O-CA 3.25Å; F195-E207 WeakPolarHBondContact O-CA 3.42Å; F195-I208 HydrophobicContact CB-CG2 3.79Å; F195-I208 HydrophobicContact CD2-CG2 4.39Å; F195-I208 PolarHBondContact N-O 3.01Å; F195-I208 PolarHBondContact O-N 2.71Å; F195-L210 HydrophobicContact CD2-CB 4.31Å; F195-L210 HydrophobicContact CE2-CB 3.74Å; F195-L210 HydrophobicContact CE2-CD2 3.94Å; F195-L210 HydrophobicContact CZ-CD2 4.4Å
196S98Very high95.3Very high14 Ų1453.9 Ų53.910%0.09828%0.281CS..EExtended strand (participates in β ladder)trans-104.5133162.71790000108.8V179 S180V179-S196 WeakPolarHBondContact CA-O 3.36Å; S180-S196 PolarHBondContact N-O 3.27Å; S180-S196 PolarHBondContact O-N 3.47Å
197I98.3Very high95.5Very high5 Ų547 Ų473%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-112.8125.6173.1-49.7169.8000107.2W135 V138 W139 F177 K178 S205 R206 I208W135-I197 HydrophobicContact CE3-CD1 3.79Å; W135-I197 HydrophobicContact CE3-CG1 4.38Å; W135-I197 HydrophobicContact CH2-CD1 4.49Å; W135-I197 HydrophobicContact CZ3-CD1 3.45Å; W135-I197 VanDerWaalsContact CZ3-CD1 3.45Å; W135-I197 HydrophobicContact CZ3-CG1 3.97Å; V138-I197 HydrophobicContact CG1-CD1 4.09Å; W139-I197 HydrophobicContact CE3-CG2 4.04Å; W139-I197 HydrophobicContact CZ3-CB 4.42Å; W139-I197 HydrophobicContact CZ3-CG2 4.15Å; F177-I197 HydrophobicContact CB-CG2 4.09Å; F177-I197 HydrophobicContact CD1-CG2 3.93Å; F177-I197 HydrophobicContact CG-CG2 4.38Å; K178-I197 CarbonylContact O-C 3.51Å; K178-I197 WeakPolarHBondContact O-CA 3.28Å; I197-S205 CarbonylContact O-C 3.55Å; I197-S205 VanDerWaalsContact O-CA 3.25Å; I197-S205 WeakPolarHBondContact O-CA 3.28Å; I197-R206 PolarHBondContact N-O 2.94Å; I197-R206 PolarHBondContact O-N 2.68Å; I197-I208 HydrophobicContact CD1-CB 4.04Å; I197-I208 HydrophobicContact CD1-CD1 4.42Å; I197-I208 HydrophobicContact CD1-CG2 3.69Å; I197-I208 HydrophobicContact CG1-CG2 3.94Å
198V98.3Very high96Very high35 Ų3544.3 Ų44.321%0.21224%0.244CC..EExtended strand (participates in β ladder)trans-114.7124.9172.3-177.90000108.6F177 K178 T200 E204F177-V198 WeakPolarHBondContact CA-O 3.36Å; K178-V198 HydrophobicContact CB-CB 4.4Å; K178-V198 PolarHBondContact N-O 2.98Å; K178-V198 PolarHBondContact O-N 3.36Å; V198-T200 PolarHBondContact O-N 3.45Å; V198-E204 WeakPolarHBondContact CA-O 3.2Å
199C98Very high96.7Very high7 Ų739.2 Ų39.25%0.04721%0.209CC..EExtended strand (participates in β ladder)trans-86.2103.7173.2177.70000109.4W139 V176 F177 L201 T202 E203 E204W139-C199 HydrophobicContact CH2-CB 3.79Å; W139-C199 HydrophobicContact CZ2-CB 3.64Å; W139-C199 HydrophobicContact CZ3-CB 4.27Å; V176-C199 CarbonylContact O-C 3.57Å; V176-C199 WeakPolarHBondContact O-CA 3.37Å; F177-C199 HydrophobicContact CD1-CB 4.16Å; F177-C199 HydrophobicContact CE1-CB 3.98Å; C199-L201 PolarHBondContact O-N 2.82Å; C199-T202 WeakPolarHBondContact CB-OG1 3.39Å; C199-T202 PolarHBondContact O-N 3.44Å; C199-T202 PolarHBondContact O-OG1 2.63Å; C199-T202 PolarHBondContact SG-OG1 3.43Å; C199-T202 VanDerWaalsContact SG-OG1 3.34Å; C199-E203 WeakPolarHBondContact O-CA 3.38Å; C199-E203 PolarHBondContact O-N 2.75Å; C199-E204 PolarHBondContact N-O 3.49Å
200T97.4Very high97.3Very high61 Ų6139.1 Ų39.137%0.37421%0.208SC..THydrogen-bonded Turntrans-64.6-11.5-173.961.50000114.5L173 V176 K178 V198L173-T200 HydrophobicContact CD1-CG2 4.37Å; V176-T200 WeakPolarHBondContact CA-OG1 3.35Å; V176-T200 PolarHBondContact O-N 2.98Å; V176-T200 PolarHBondContact O-OG1 3.17Å; V176-T200 VanDerWaalsContact O-OG1 3.08Å; K178-T200 HydrophobicContact CB-CG2 4.39Å; V198-T200 PolarHBondContact O-N 3.45Å
201L96.3Very high97.6Very high113 Ų11339.1 Ų39.159%0.59221%0.208SC*.THydrogen-bonded Turntrans-83.2-29.1172.4-67.9-178.7000113.4L104 V176 C199L104-L201 HydrophobicContact CD1-CD1 4.14Å; L104-L201 HydrophobicContact CD2-CD1 3.69Å; V176-L201 HydrophobicContact CB-CD1 4.25Å; V176-L201 HydrophobicContact CB-CG 3.97Å; V176-L201 HydrophobicContact CG1-CD1 3.73Å; V176-L201 HydrophobicContact CG1-CD2 4.22Å; V176-L201 HydrophobicContact CG1-CG 3.66Å; V176-L201 HydrophobicContact CG2-CD1 4.3Å; V176-L201 HydrophobicContact CG2-CG 4.45Å; C199-L201 PolarHBondContact O-N 2.82Å
202T96.6Very high97.6Very high76 Ų7636.7 Ų36.747%0.46620%0.197SC..THydrogen-bonded Turntrans-117.1-12.7-171.559.20000112.9C199 E204C199-T202 WeakPolarHBondContact CB-OG1 3.39Å; C199-T202 PolarHBondContact O-N 3.44Å; C199-T202 PolarHBondContact O-OG1 2.63Å; C199-T202 PolarHBondContact SG-OG1 3.43Å; C199-T202 VanDerWaalsContact SG-OG1 3.34Å; T202-E204 PolarHBondContact O-N 3.29Å; T202-E204 PolarHBondContact OG1-N 3.3Å
203E96.5Very high97.4Very high144 Ų14436.9 Ų36.967%0.67320%0.197SC*.THydrogen-bonded Turntrans57.89.9-170-58-60.9150.900114.1C199C199-E203 WeakPolarHBondContact O-CA 3.38Å; C199-E203 PolarHBondContact O-N 2.75Å
204E97.7Very high96.9Very high99 Ų9939.9 Ų39.946%0.46321%0.213SC..EExtended strand (participates in β ladder)trans-70.6138.8172.2-69.4-172.917900110.5W139 V198 C199 T202 R206W139-E204 HydrophobicContact CH2-CB 3.74Å; W139-E204 WeakPolarHBondContact CH2-O 3.4Å; W139-E204 HydrophobicContact CZ2-CB 3.78Å; V198-E204 WeakPolarHBondContact CA-O 3.2Å; C199-E204 PolarHBondContact N-O 3.49Å; T202-E204 PolarHBondContact O-N 3.29Å; T202-E204 PolarHBondContact OG1-N 3.3Å; E204-R206 IonicContact OE2-NH2 3.32Å; E204-R206 PolarHBondContact OE2-NH2 3.19Å
205S97.6Very high96.3Very high84 Ų8441.6 Ų41.659%0.58722%0.222SC*.EExtended strand (participates in β ladder)trans-117.2140.9174.768.90000111.9I197I197-S205 CarbonylContact O-C 3.55Å; I197-S205 VanDerWaalsContact O-CA 3.25Å; I197-S205 WeakPolarHBondContact O-CA 3.28Å
206R97.9Very high95.7Very high48 Ų4841.7 Ų41.718%0.18122%0.223CC..EExtended strand (participates in β ladder)trans-134.1152.2171.6-61.5178.4-166.4165.69109.9W139 I197 E204 V246W139-R206 HydrophobicContact CE3-CG 4.43Å; W139-R206 HydrophobicContact CH2-CG 3.82Å; W139-R206 HydrophobicContact CZ3-CB 3.97Å; W139-R206 HydrophobicContact CZ3-CG 3.66Å; W139-R206 PolarHBondContact O-NH1 3.19Å; I197-R206 PolarHBondContact N-O 2.94Å; I197-R206 PolarHBondContact O-N 2.68Å; E204-R206 IonicContact OE2-NH2 3.32Å; E204-R206 PolarHBondContact OE2-NH2 3.19Å; R206-V246 HydrophobicContact CB-CG1 4.29Å; R206-V246 HydrophobicContact CG-CG1 4.46Å
207E98.2Very high94.7Very high52 Ų5243.7 Ų43.724%0.24324%0.235CC..EExtended strand (participates in β ladder)trans-98.3147.2169.8-68.2-179.812800110.5L194 F195 M242 R245 V246L194-E207 HydrophobicContact CD1-CB 4.23Å; F195-E207 VanDerWaalsContact O-CA 3.25Å; F195-E207 WeakPolarHBondContact O-CA 3.42Å; E207-M242 HydrophobicContact CB-CE 3.84Å; E207-R245 IonicContact OE1-CZ 3.74Å; E207-R245 IonicContact OE1-NE 3.85Å; E207-R245 IonicContact OE1-NH2 3.49Å; E207-R245 PolarHBondContact OE1-NH2 2.79Å; E207-R245 IonicContact OE2-CZ 2.71Å; E207-R245 IonicContact OE2-NE 3.81Å; E207-R245 PolarHBondContact OE2-NE 3.38Å; E207-R245 IonicContact OE2-NH2 3.52Å; E207-R245 PolarHBondContact OE2-NH2 2.87Å; E207-V246 HydrophobicContact CB-CG2 4.23Å; E207-V246 WeakPolarHBondContact O-CG2 3.34Å
208I98.5Very high93.2Very high2 Ų245.5 Ų45.51%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-135.6141.7174.5-167.6162.7000109.7W135 V138 V146 F195 I197W135-I208 HydrophobicContact CH2-CG2 4.32Å; W135-I208 HydrophobicContact CZ3-CD1 4.39Å; W135-I208 HydrophobicContact CZ3-CG2 4.15Å; V138-I208 HydrophobicContact CG1-CD1 3.3Å; V138-I208 HydrophobicContact CG2-CD1 4.49Å; V146-I208 HydrophobicContact CG2-CD1 3.62Å; V146-I208 HydrophobicContact CG2-CG1 4.2Å; F195-I208 HydrophobicContact CB-CG2 3.79Å; F195-I208 HydrophobicContact CD2-CG2 4.39Å; F195-I208 PolarHBondContact N-O 3.01Å; F195-I208 PolarHBondContact O-N 2.71Å; I197-I208 HydrophobicContact CD1-CB 4.04Å; I197-I208 HydrophobicContact CD1-CD1 4.42Å; I197-I208 HydrophobicContact CD1-CG2 3.69Å; I197-I208 HydrophobicContact CG1-CG2 3.94Å
209M98.5Very high91.6Very high0 Ų047.5 Ų47.50%026%0.26CS..EExtended strand (participates in β ladder)trans-101.8140.1173.8-173.9177.5-69.400110.4L12 I13 V144 L145 V146 V192 L193 L211 A238 M242L12-M209 HydrophobicContact CB-CE 4.04Å; L12-M209 WeakPolarHBondContact O-CE 3.4Å; I13-M209 HydrophobicContact CD1-SD 3.91Å; I13-M209 HydrophobicContact CG1-CE 3.81Å; I13-M209 HydrophobicContact CG1-SD 3.68Å; V144-M209 PolarHBondContact O-N 2.93Å; V144-M209 VanDerWaalsContact O-N 3.09Å; L145-M209 CarbonylContact C-O 3.59Å; L145-M209 WeakPolarHBondContact CA-O 3.43Å; L145-M209 HydrophobicContact CD1-CB 3.92Å; L145-M209 HydrophobicContact CD1-CG 4.06Å; L145-M209 HydrophobicContact CD1-SD 4.34Å; V146-M209 PolarHBondContact N-O 2.82Å; V192-M209 HydrophobicContact CG1-CE 4.22Å; V192-M209 HydrophobicContact CG1-CG 3.97Å; V192-M209 HydrophobicContact CG1-SD 3.73Å; L193-M209 CarbonylContact O-C 3.58Å; L193-M209 WeakPolarHBondContact O-CA 3.18Å; M209-L211 HydrophobicContact CG-CD2 4.45Å; M209-L211 HydrophobicContact SD-CD2 4.21Å; M209-A238 HydrophobicContact SD-CB 3.69Å; M209-M242 HydrophobicContact CB-CE 4.4Å; M209-M242 HydrophobicContact CB-CG 3.62Å; M209-M242 HydrophobicContact CB-SD 4.02Å; M209-M242 HydrophobicContact CE-CG 3.88Å; M209-M242 HydrophobicContact CE-SD 3.75Å; M209-M242 HydrophobicContact SD-CG 4.32Å
210L98.1Very high90.8Very high4 Ų453 Ų532%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-115.4129.3170.2174.967.7000109.3V146 M148 Y163 F164 V192 L193 F195 I212V146-L210 HydrophobicContact CB-CD1 3.66Å; V146-L210 HydrophobicContact CG1-CD1 3.53Å; V146-L210 CarbonylContact O-C 3.47Å; V146-L210 WeakPolarHBondContact O-CA 3.32Å; M148-L210 HydrophobicContact CB-CD1 3.95Å; Y163-L210 VanDerWaalsContact OH-CD1 3.3Å; Y163-L210 WeakPolarHBondContact OH-CD1 3.48Å; F164-L210 HydrophobicContact CD1-CD2 3.88Å; F164-L210 HydrophobicContact CE1-CD2 3.46Å; F164-L210 VanDerWaalsContact CE1-CD2 3.46Å; F164-L210 HydrophobicContact CE2-CD2 4.19Å; F164-L210 HydrophobicContact CG-CD2 4.37Å; F164-L210 HydrophobicContact CZ-CD2 3.61Å; V192-L210 WeakPolarHBondContact CA-O 3.27Å; L193-L210 HydrophobicContact CB-CB 4.29Å; L193-L210 PolarHBondContact N-O 3.01Å; L193-L210 PolarHBondContact O-N 3.03Å; F195-L210 HydrophobicContact CD2-CB 4.31Å; F195-L210 HydrophobicContact CE2-CB 3.74Å; F195-L210 HydrophobicContact CE2-CD2 3.94Å; F195-L210 HydrophobicContact CZ-CD2 4.4Å; L210-I212 HydrophobicContact CD2-CD1 4.01Å; L210-I212 HydrophobicContact CD2-CG1 3.94Å; L210-I212 HydrophobicContact CG-CG1 3.96Å
211L97.5Very high90.2Very high0 Ų052.8 Ų52.80%028%0.279CS..EExtended strand (participates in β ladder)trans-109.4120.7169.5-61.5179.4000109.7I13 L145 V146 M148 E191 V192 M209 F231 V235 A238I13-L211 HydrophobicContact CD1-CD2 4.01Å; L145-L211 HydrophobicContact CD1-CD1 4.07Å; L145-L211 HydrophobicContact CD1-CG 3.99Å; V146-L211 PolarHBondContact O-N 2.72Å; M148-L211 PolarHBondContact N-O 3.33Å; E191-L211 WeakPolarHBondContact O-CA 3.06Å; V192-L211 HydrophobicContact CB-CD2 4Å; V192-L211 HydrophobicContact CG1-CD2 3.77Å; V192-L211 HydrophobicContact CG2-CD2 3.61Å; M209-L211 HydrophobicContact CG-CD2 4.45Å; M209-L211 HydrophobicContact SD-CD2 4.21Å; L211-F231 HydrophobicContact CB-CE2 4.21Å; L211-F231 HydrophobicContact CB-CZ 4.24Å; L211-V235 HydrophobicContact CD1-CB 4.37Å; L211-V235 HydrophobicContact CD1-CG2 3.68Å; L211-A238 HydrophobicContact CD1-CB 3.9Å
212I95.2Very high89.6Confident13 Ų1347.6 Ų47.67%0.06725%0.253CS..EExtended strand (participates in β ladder)trans-104.4106.7176.6-51.1179.1000108.6M148 F164 C190 E191 L193 L210 L214M148-I212 HydrophobicContact CB-CG1 4.32Å; M148-I212 HydrophobicContact CG-CG2 4.39Å; M148-I212 CarbonylContact O-C 3.59Å; M148-I212 WeakPolarHBondContact O-CA 3.25Å; M148-I212 HydrophobicContact SD-CG1 4.42Å; F164-I212 HydrophobicContact CZ-CD1 4.12Å; C190-I212 CarbonylContact C-O 3.55Å; C190-I212 WeakPolarHBondContact CA-O 3.45Å; C190-I212 WeakPolarHBondContact CB-O 3.41Å; E191-I212 HydrophobicContact CB-CB 4.36Å; E191-I212 PolarHBondContact N-O 3.25Å; E191-I212 PolarHBondContact O-N 3.41Å; L193-I212 HydrophobicContact CD1-CD1 3.87Å; L193-I212 HydrophobicContact CD1-CG1 4.24Å; L210-I212 HydrophobicContact CD2-CD1 4.01Å; L210-I212 HydrophobicContact CD2-CG1 3.94Å; L210-I212 HydrophobicContact CG-CG1 3.96Å; I212-L214 HydrophobicContact CG2-CD2 3.97Å; I212-L214 PolarHBondContact O-N 2.83Å
213Y93.4Very high88.9Confident4 Ų449.7 Ų49.72%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-76.7119.3176.7-170.1-113.5000110.6M148 V149 D215 W216 I228 F231M148-Y213 PolarHBondContact O-N 3.44Å; V149-Y213 HydrophobicContact CG1-CD1 4.1Å; Y213-D215 VanDerWaalsContact CE1-C 3.45Å; Y213-D215 HydrophobicContact CE1-CB 4.12Å; Y213-D215 WeakPolarHBondContact CE1-O 3.47Å; Y213-D215 HydrophobicContact CE2-CB 4.41Å; Y213-W216 HydrophobicContact CD1-CB 3.71Å; Y213-W216 HydrophobicContact CD1-CE3 4.26Å; Y213-W216 HydrophobicContact CE1-CB 3.76Å; Y213-W216 HydrophobicContact CE1-CE3 4.16Å; Y213-I228 HydrophobicContact CE1-CD1 4.14Å; Y213-I228 HydrophobicContact CE2-CD1 4.48Å; Y213-F231 HydrophobicContact CD2-CB 4.01Å; Y213-F231 AromaticContact CD2-CD1 3.55Å; Y213-F231 HydrophobicContact CD2-CD1 3.55Å; Y213-F231 AromaticContact CD2-CD2 3.53Å; Y213-F231 HydrophobicContact CD2-CD2 3.53Å; Y213-F231 AromaticContact CD2-CE1 3.85Å; Y213-F231 HydrophobicContact CD2-CE1 3.85Å; Y213-F231 AromaticContact CD2-CE2 3.83Å; Y213-F231 HydrophobicContact CD2-CE2 3.83Å; Y213-F231 AromaticContact CD2-CG 3.39Å; Y213-F231 HydrophobicContact CD2-CG 3.39Å; Y213-F231 AromaticContact CD2-CZ 3.98Å; Y213-F231 HydrophobicContact CD2-CZ 3.98Å; Y213-F231 HydrophobicContact CE2-CB 3.75Å; Y213-F231 HydrophobicContact CE2-CD1 4.01Å; Y213-F231 HydrophobicContact CE2-CD2 4.13Å; Y213-F231 AromaticContact CE2-CG 3.68Å; Y213-F231 HydrophobicContact CE2-CG 3.68Å; Y213-F231 HydrophobicContact CG-CD1 4Å; Y213-F231 HydrophobicContact CG-CD2 4.48Å; Y213-F231 AromaticContact CG-CE1 3.94Å; Y213-F231 HydrophobicContact CG-CE1 3.94Å; Y213-F231 HydrophobicContact CG-CE2 4.41Å; Y213-F231 HydrophobicContact CG-CG 4.29Å; Y213-F231 HydrophobicContact CG-CZ 4.15Å
214L87.4Confident88.3Confident72 Ų7247.8 Ų47.838%0.37726%0.255SS..  trans-94.6-18.8-172.3-59.7179.1000113.6T189 E191 I212 W216T189-L214 PolarHBondContact O-N 3.03Å; E191-L214 HydrophobicContact CG-CD1 3.92Å; E191-L214 HydrophobicContact CG-CD2 4.43Å; E191-L214 HydrophobicContact CG-CG 4.42Å; I212-L214 HydrophobicContact CG2-CD2 3.97Å; I212-L214 PolarHBondContact O-N 2.83Å; L214-W216 PolarHBondContact O-N 3.01Å
215D85.4Confident87.5Confident38 Ų3843.3 Ų43.320%0.20323%0.234CC..SBendtrans-98.338.7-171.5-155.46.8000112.6Y213 P222 K227Y213-D215 VanDerWaalsContact CE1-C 3.45Å; Y213-D215 HydrophobicContact CE1-CB 4.12Å; Y213-D215 WeakPolarHBondContact CE1-O 3.47Å; Y213-D215 HydrophobicContact CE2-CB 4.41Å; D215-P222 WeakPolarHBondContact O-CB 3.47Å; D215-P222 WeakPolarHBondContact O-CG 3.38Å; D215-K227 WeakPolarHBondContact OD2-CD 3.5Å; D215-K227 IonicContact OD2-NZ 2.73Å; D215-K227 PolarHBondContact OD2-NZ 3.18Å
216W85.4Confident86.8Confident5 Ų543.3 Ų43.32%0.01923%0.225CC..  trans-134.985.8173.7-155.3-31.9000112V149 Y213 L214 K220 P222 I228 R269 S272 F273 I276 F314V149-W216 HydrophobicContact CG1-CB 4.17Å; V149-W216 HydrophobicContact CG1-CD2 4.03Å; V149-W216 HydrophobicContact CG1-CE3 3.5Å; V149-W216 VanDerWaalsContact CG1-CE3 3.5Å; V149-W216 HydrophobicContact CG1-CG 4.33Å; V149-W216 HydrophobicContact CG1-CZ3 4.22Å; Y213-W216 HydrophobicContact CD1-CB 3.71Å; Y213-W216 HydrophobicContact CD1-CE3 4.26Å; Y213-W216 HydrophobicContact CE1-CB 3.76Å; Y213-W216 HydrophobicContact CE1-CE3 4.16Å; L214-W216 PolarHBondContact O-N 3.01Å; W216-K220 PolarHBondContact NE1-O 3.21Å; W216-K220 VanDerWaalsContact NE1-O 3.16Å; W216-P222 HydrophobicContact CB-CG 4.29Å; W216-P222 HydrophobicContact CD2-CG 3.82Å; W216-P222 HydrophobicContact CE3-CG 4.19Å; W216-P222 HydrophobicContact CG-CG 3.88Å; W216-I228 HydrophobicContact CE3-CD1 4.45Å; W216-I228 HydrophobicContact CZ3-CD1 4.2Å; W216-R269 VanDerWaalsContact CD1-CD 3.49Å; W216-R269 HydrophobicContact CD2-CB 4.23Å; W216-R269 HydrophobicContact CD2-CG 4.01Å; W216-R269 HydrophobicContact CG-CG 4.02Å; W216-R269 HydrophobicContact CZ2-CG 4.4Å; W216-R269 PolarHBondContact O-NH1 2.96Å; W216-S272 VanDerWaalsContact CH2-CB 3.48Å; W216-F273 HydrophobicContact CZ3-CB 4.36Å; W216-I276 HydrophobicContact CH2-CD1 4.31Å; W216-F314 AromaticContact CH2-CD1 3.97Å; W216-F314 HydrophobicContact CH2-CD1 3.97Å; W216-F314 AromaticContact CH2-CE1 3.8Å; W216-F314 HydrophobicContact CH2-CE1 3.8Å; W216-F314 AromaticContact CZ2-CD1 3.89Å; W216-F314 HydrophobicContact CZ2-CD1 3.89Å; W216-F314 HydrophobicContact CZ2-CE1 4.02Å; W216-F314 HydrophobicContact CZ3-CE1 4.27Å
217P76.2Confident86.3Confident56 Ų5643.7 Ų43.736%0.36423%0.228SC..  trans-62.3146.9179.419.6-26.1000111.9K220P217-K220 HydrophobicContact CB-CB 4.14Å; P217-K220 HydrophobicContact CB-CD 4.22Å; P217-K220 HydrophobicContact CG-CB 3.77Å; P217-K220 HydrophobicContact CG-CD 4.21Å; P217-K220 PolarHBondContact O-N 2.75Å
218D67.9Low86Confident43 Ų4341.2 Ų41.223%0.2322%0.216CC..THydrogen-bonded Turntrans-60.8150.1176.8-154.812000111.2E154 K159 K220 R269E154-D218 HydrophobicContact CB-CB 4.42Å; E154-D218 WeakPolarHBondContact OE2-CB 3.41Å; K159-D218 WeakPolarHBondContact CE-OD2 3.23Å; K159-D218 IonicContact NZ-OD2 2.58Å; K159-D218 PolarHBondContact NZ-OD2 3.1Å; D218-K220 PolarHBondContact O-N 2.72Å; D218-R269 IonicContact OD1-CZ 3.43Å; D218-R269 IonicContact OD1-NE 3.38Å; D218-R269 IonicContact OD1-NH2 3.54Å
219S64.9Low85.7Confident76 Ų7643 Ų4353%0.53122%0.224SC..THydrogen-bonded Turntrans57.42.7-178.871.20000116.5
220K80Confident85.3Confident124 Ų12447.9 Ų47.954%0.53925%0.25SS..SBendtrans-124.2179.3-176.1-69.9177.7-173.1170.30110W216 P217 D218W216-K220 PolarHBondContact NE1-O 3.21Å; W216-K220 VanDerWaalsContact NE1-O 3.16Å; P217-K220 HydrophobicContact CB-CB 4.14Å; P217-K220 HydrophobicContact CB-CD 4.22Å; P217-K220 HydrophobicContact CG-CB 3.77Å; P217-K220 HydrophobicContact CG-CD 4.21Å; P217-K220 PolarHBondContact O-N 2.75Å; D218-K220 PolarHBondContact O-N 2.72Å
221I84.1Confident85.2Confident56 Ų5647.7 Ų47.729%0.28725%0.249SC..  trans-118.6150.6174.962.1172.4000108.8T223 L310 F314I221-T223 PolarHBondContact O-N 3.25Å; I221-L310 HydrophobicContact CG2-CB 4.04Å; I221-L310 WeakPolarHBondContact CG2-O 3.06Å; I221-F314 HydrophobicContact CB-CB 3.93Å; I221-F314 HydrophobicContact CB-CD2 3.93Å; I221-F314 HydrophobicContact CB-CG 3.94Å; I221-F314 HydrophobicContact CD1-CB 4.18Å; I221-F314 HydrophobicContact CD1-CD2 4.2Å; I221-F314 HydrophobicContact CG1-CD2 4.47Å; I221-F314 HydrophobicContact CG2-CB 3.66Å; I221-F314 HydrophobicContact CG2-CG 4.16Å
222P85.3Confident85.1Confident4 Ų447.8 Ų47.83%0.02625%0.25CS..  trans-54.8137.4172.7-25.434.6000111D215 W216 K224 F314D215-P222 WeakPolarHBondContact O-CB 3.47Å; D215-P222 WeakPolarHBondContact O-CG 3.38Å; W216-P222 HydrophobicContact CB-CG 4.29Å; W216-P222 HydrophobicContact CD2-CG 3.82Å; W216-P222 HydrophobicContact CE3-CG 4.19Å; W216-P222 HydrophobicContact CG-CG 3.88Å; P222-K224 VanDerWaalsContact C-N 3.32Å; P222-F314 HydrophobicContact CB-CE2 3.94Å; P222-F314 HydrophobicContact CB-CZ 3.75Å; P222-F314 VanDerWaalsContact CD-CZ 3.48Å; P222-F314 HydrophobicContact CG-CE1 3.86Å; P222-F314 HydrophobicContact CG-CE2 4.01Å; P222-F314 HydrophobicContact CG-CZ 3.46Å; P222-F314 VanDerWaalsContact CG-CZ 3.46Å
223T80.4Confident85Confident120 Ų12050.3 Ų50.374%0.73627%0.269SS*.SBendtrans-78.7-19.2-179.254.10000112.9I221I221-T223 PolarHBondContact O-N 3.25Å
224K84.1Confident85.1Confident103 Ų10351 Ų5145%0.44827%0.273SS..  trans-121.986.9-178-70.9-175.8-179.8-173.90109.5P222 E226 K227P222-K224 VanDerWaalsContact C-N 3.32Å; K224-E226 WeakPolarHBondContact CB-OE1 3.5Å; K224-E226 PolarHBondContact O-N 3.27Å; K224-K227 HydrophobicContact CB-CD 3.95Å; K224-K227 HydrophobicContact CB-CG 4.12Å; K224-K227 HydrophobicContact CD-CD 4.3Å; K224-K227 PolarHBondContact O-N 2.91Å
225P81.5Confident85.5Confident5 Ų547.6 Ų47.63%0.03226%0.255CS..THydrogen-bonded Turntrans-59.1-30.5-175.929.5-40.9000112.4K227 I228 F314 F317 V318P225-K227 PolarHBondContact O-N 3.21Å; P225-I228 WeakPolarHBondContact O-CB 3.24Å; P225-I228 WeakPolarHBondContact O-CG2 3.29Å; P225-I228 PolarHBondContact O-N 3.3Å; P225-F314 HydrophobicContact CB-CE2 4.13Å; P225-F317 HydrophobicContact CB-CD1 3.83Å; P225-F317 HydrophobicContact CB-CE1 3.87Å; P225-F317 HydrophobicContact CG-CD1 3.83Å; P225-F317 HydrophobicContact CG-CE1 3.33Å; P225-F317 HydrophobicContact CG-CZ 3.94Å; P225-V318 HydrophobicContact CB-CG2 4.03Å
226E82.9Confident86.1Confident85 Ų8547.4 Ų47.440%0.39725%0.251SS..THydrogen-bonded Turntrans-59.8-32.1-178.564.2-79.8-175.600113.2K224 I228 F229K224-E226 WeakPolarHBondContact CB-OE1 3.5Å; K224-E226 PolarHBondContact O-N 3.27Å; E226-I228 PolarHBondContact O-N 2.96Å; E226-F229 HydrophobicContact CB-CD2 4.38Å; E226-F229 WeakPolarHBondContact O-CB 3.5Å; E226-F229 WeakPolarHBondContact O-CD2 3.42Å; E226-F229 PolarHBondContact O-N 2.79Å
227K88.6Confident86.7Confident55 Ų5547.7 Ų47.724%0.23925%0.254CS..Hα-helixtrans-64.4-23.8177.1-72.9-178.3170.3-170.60113.2T189 D215 K224 P225 F229 D230 F231T189-K227 HydrophobicContact CG2-CB 4.11Å; T189-K227 HydrophobicContact CG2-CD 3.74Å; T189-K227 HydrophobicContact CG2-CG 4.11Å; D215-K227 WeakPolarHBondContact OD2-CD 3.5Å; D215-K227 IonicContact OD2-NZ 2.73Å; D215-K227 PolarHBondContact OD2-NZ 3.18Å; K224-K227 HydrophobicContact CB-CD 3.95Å; K224-K227 HydrophobicContact CB-CG 4.12Å; K224-K227 HydrophobicContact CD-CD 4.3Å; K224-K227 PolarHBondContact O-N 2.91Å; P225-K227 PolarHBondContact O-N 3.21Å; K227-F229 PolarHBondContact O-N 3.35Å; K227-D230 PolarHBondContact O-N 3.34Å; K227-F231 PolarHBondContact O-N 3.32Å
228I91.5Very high87.7Confident0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-68.3-27.6175.8-151.164.9000111.1Y213 W216 P225 E226 F231 V232 F273 I276 V318Y213-I228 HydrophobicContact CE1-CD1 4.14Å; Y213-I228 HydrophobicContact CE2-CD1 4.48Å; W216-I228 HydrophobicContact CE3-CD1 4.45Å; W216-I228 HydrophobicContact CZ3-CD1 4.2Å; P225-I228 WeakPolarHBondContact O-CB 3.24Å; P225-I228 WeakPolarHBondContact O-CG2 3.29Å; P225-I228 PolarHBondContact O-N 3.3Å; E226-I228 PolarHBondContact O-N 2.96Å; I228-F231 HydrophobicContact CD1-CD1 4.41Å; I228-F231 PolarHBondContact O-N 2.96Å; I228-V232 WeakPolarHBondContact O-CB 3.39Å; I228-V232 VanDerWaalsContact O-CG2 3.24Å; I228-V232 WeakPolarHBondContact O-CG2 3.28Å; I228-V232 PolarHBondContact O-N 3.47Å; I228-F273 HydrophobicContact CD1-CD2 4.41Å; I228-I276 HydrophobicContact CG1-CD1 4.24Å; I228-I276 HydrophobicContact CG1-CG2 4.38Å; I228-I276 HydrophobicContact CG2-CG2 4.28Å; I228-V318 HydrophobicContact CG2-CB 4.39Å; I228-V318 HydrophobicContact CG2-CG1 3.54Å; I228-V318 HydrophobicContact CG2-CG2 3.85Å
229F91.7Very high89.1Confident40 Ų4043.2 Ų43.218%0.17523%0.227CC..Hα-helixtrans-68.4-42.1176.9-55.5-39.7000111E226 K227 F231 V232 S233 L280 V318 H321 K322E226-F229 HydrophobicContact CB-CD2 4.38Å; E226-F229 WeakPolarHBondContact O-CB 3.5Å; E226-F229 WeakPolarHBondContact O-CD2 3.42Å; E226-F229 PolarHBondContact O-N 2.79Å; K227-F229 PolarHBondContact O-N 3.35Å; F229-F231 VanDerWaalsContact C-N 3.32Å; F229-V232 PolarHBondContact O-N 3.41Å; F229-S233 WeakPolarHBondContact O-CB 3.49Å; F229-S233 PolarHBondContact O-N 2.74Å; F229-S233 PolarHBondContact O-OG 3.37Å; F229-L280 HydrophobicContact CD1-CD1 3.75Å; F229-L280 HydrophobicContact CD1-CD2 4.17Å; F229-L280 HydrophobicContact CE1-CD1 4.1Å; F229-L280 HydrophobicContact CE1-CD2 3.75Å; F229-V318 HydrophobicContact CD1-CG1 4.31Å; F229-V318 HydrophobicContact CE1-CG1 3.49Å; F229-V318 VanDerWaalsContact CE1-CG1 3.49Å; F229-V318 HydrophobicContact CZ-CG1 4.14Å; F229-V318 WeakPolarHBondContact CZ-O 3.3Å; F229-H321 HydrophobicContact CE2-CB 4.05Å; F229-H321 HydrophobicContact CZ-CB 3.79Å; F229-K322 HydrophobicContact CE1-CB 3.96Å; F229-K322 HydrophobicContact CZ-CB 3.88Å
230D91Very high90.7Very high102 Ų10240.1 Ų40.155%0.54520%0.204SC..Hα-helixtrans-62.6-43.9175.1-60.7-24.7000110K227 S233 L234K227-D230 PolarHBondContact O-N 3.34Å; D230-S233 PolarHBondContact O-N 3.18Å; D230-L234 WeakPolarHBondContact O-CB 3.45Å; D230-L234 PolarHBondContact O-N 3.07Å
231F94.6Very high91.6Very high0 Ų035.2 Ų35.20%018%0.184CC..Hα-helixtrans-66.3-42.2178.1-171.5-116.2000113.3V147 C190 L211 Y213 K227 I228 F229 S233 L234 V235 F273V147-F231 HydrophobicContact CG1-CE1 3.9Å; V147-F231 HydrophobicContact CG1-CZ 3.85Å; C190-F231 HydrophobicContact CB-CD2 4.16Å; C190-F231 HydrophobicContact CB-CE2 3.76Å; L211-F231 HydrophobicContact CB-CE2 4.21Å; L211-F231 HydrophobicContact CB-CZ 4.24Å; Y213-F231 HydrophobicContact CD2-CB 4.01Å; Y213-F231 AromaticContact CD2-CD1 3.55Å; Y213-F231 HydrophobicContact CD2-CD1 3.55Å; Y213-F231 AromaticContact CD2-CD2 3.53Å; Y213-F231 HydrophobicContact CD2-CD2 3.53Å; Y213-F231 AromaticContact CD2-CE1 3.85Å; Y213-F231 HydrophobicContact CD2-CE1 3.85Å; Y213-F231 AromaticContact CD2-CE2 3.83Å; Y213-F231 HydrophobicContact CD2-CE2 3.83Å; Y213-F231 AromaticContact CD2-CG 3.39Å; Y213-F231 HydrophobicContact CD2-CG 3.39Å; Y213-F231 AromaticContact CD2-CZ 3.98Å; Y213-F231 HydrophobicContact CD2-CZ 3.98Å; Y213-F231 HydrophobicContact CE2-CB 3.75Å; Y213-F231 HydrophobicContact CE2-CD1 4.01Å; Y213-F231 HydrophobicContact CE2-CD2 4.13Å; Y213-F231 AromaticContact CE2-CG 3.68Å; Y213-F231 HydrophobicContact CE2-CG 3.68Å; Y213-F231 HydrophobicContact CG-CD1 4Å; Y213-F231 HydrophobicContact CG-CD2 4.48Å; Y213-F231 AromaticContact CG-CE1 3.94Å; Y213-F231 HydrophobicContact CG-CE1 3.94Å; Y213-F231 HydrophobicContact CG-CE2 4.41Å; Y213-F231 HydrophobicContact CG-CG 4.29Å; Y213-F231 HydrophobicContact CG-CZ 4.15Å; K227-F231 PolarHBondContact O-N 3.32Å; I228-F231 HydrophobicContact CD1-CD1 4.41Å; I228-F231 PolarHBondContact O-N 2.96Å; F229-F231 VanDerWaalsContact C-N 3.32Å; F231-S233 VanDerWaalsContact C-N 3.32Å; F231-S233 PolarHBondContact O-N 2.96Å; F231-L234 HydrophobicContact CD2-CD2 4.46Å; F231-L234 PolarHBondContact O-N 3.5Å; F231-V235 HydrophobicContact CD1-CG2 4.25Å; F231-V235 HydrophobicContact CD2-CG2 4.47Å; F231-V235 HydrophobicContact CE1-CG2 3.86Å; F231-V235 HydrophobicContact CE2-CG2 4.12Å; F231-V235 HydrophobicContact CZ-CG2 3.79Å; F231-V235 VanDerWaalsContact O-CG2 3.28Å; F231-V235 WeakPolarHBondContact O-CG2 3.43Å; F231-V235 PolarHBondContact O-N 3.21Å; F231-F273 HydrophobicContact CD1-CD2 4.03Å; F231-F273 AromaticContact CD1-CE2 3.53Å; F231-F273 HydrophobicContact CD1-CE2 3.53Å; F231-F273 HydrophobicContact CD1-CZ 4.36Å; F231-F273 HydrophobicContact CE1-CD2 4.09Å; F231-F273 AromaticContact CE1-CE2 3.68Å; F231-F273 HydrophobicContact CE1-CE2 3.68Å; F231-F273 HydrophobicContact CE1-CZ 4.2Å
232V95.1Very high92.3Very high3 Ų332.6 Ų32.62%0.01817%0.171CC..Hα-helixtrans-60.5-43.9173.9166.80000110.8I228 F229 L234 V235 R236 F273 I276 D277 L280I228-V232 WeakPolarHBondContact O-CB 3.39Å; I228-V232 VanDerWaalsContact O-CG2 3.24Å; I228-V232 WeakPolarHBondContact O-CG2 3.28Å; I228-V232 PolarHBondContact O-N 3.47Å; F229-V232 PolarHBondContact O-N 3.41Å; V232-L234 VanDerWaalsContact C-N 3.34Å; V232-L234 PolarHBondContact O-N 2.98Å; V232-V235 PolarHBondContact O-N 3.34Å; V232-R236 WeakPolarHBondContact O-CG 3.41Å; V232-R236 PolarHBondContact O-N 3.46Å; V232-F273 HydrophobicContact CG2-CD2 4.46Å; V232-F273 HydrophobicContact CG2-CE2 3.72Å; V232-F273 HydrophobicContact CG2-CZ 4.3Å; V232-I276 HydrophobicContact CG2-CG2 4.19Å; V232-D277 VanDerWaalsContact CG1-OD1 3.3Å; V232-D277 WeakPolarHBondContact CG1-OD1 3.5Å; V232-L280 HydrophobicContact CB-CD1 4.38Å; V232-L280 HydrophobicContact CG1-CD1 4.23Å; V232-L280 HydrophobicContact CG2-CD1 4.15Å
233S93.7Very high92.9Very high65 Ų6532.8 Ų32.846%0.45517%0.172SC..Hα-helixtrans-62.3-43.6177.2-55.70000111F229 D230 F231 R236 S237F229-S233 WeakPolarHBondContact O-CB 3.49Å; F229-S233 PolarHBondContact O-N 2.74Å; F229-S233 PolarHBondContact O-OG 3.37Å; D230-S233 PolarHBondContact O-N 3.18Å; F231-S233 VanDerWaalsContact C-N 3.32Å; F231-S233 PolarHBondContact O-N 2.96Å; S233-R236 PolarHBondContact O-N 3.38Å; S233-S237 PolarHBondContact O-N 3.05Å; S233-S237 PolarHBondContact O-OG 2.87Å
234L95.1Very high93.7Very high20 Ų2032.8 Ų32.811%0.10516%0.162CC..Hα-helixtrans-61.7-44.7176.3-171.771.4000112.2I13 Q187 C190 D230 F231 V232 R236 S237 A238I13-L234 HydrophobicContact CB-CD1 4.41Å; I13-L234 HydrophobicContact CD1-CD1 3.59Å; I13-L234 HydrophobicContact CD1-CD2 4.36Å; I13-L234 HydrophobicContact CD1-CG 3.88Å; I13-L234 HydrophobicContact CG2-CD1 4.09Å; Q187-L234 HydrophobicContact CG-CD2 4.48Å; C190-L234 WeakPolarHBondContact SG-CD2 3.38Å; D230-L234 WeakPolarHBondContact O-CB 3.45Å; D230-L234 PolarHBondContact O-N 3.07Å; F231-L234 HydrophobicContact CD2-CD2 4.46Å; F231-L234 PolarHBondContact O-N 3.5Å; V232-L234 VanDerWaalsContact C-N 3.34Å; V232-L234 PolarHBondContact O-N 2.98Å; L234-R236 VanDerWaalsContact C-N 3.35Å; L234-R236 PolarHBondContact O-N 2.97Å; L234-S237 PolarHBondContact O-N 3.35Å; L234-A238 VanDerWaalsContact O-CB 3.23Å; L234-A238 WeakPolarHBondContact O-CB 3.42Å; L234-A238 PolarHBondContact O-N 3.37Å
235V97.4Very high94.2Very high0 Ų033.1 Ų33.10%016%0.16CC..Hα-helixtrans-59.5-45.2177.1166.40000110.9L145 V147 L211 F231 V232 A238 Q239 I259 F273L145-V235 HydrophobicContact CD2-CG1 3.95Å; L145-V235 WeakPolarHBondContact CD2-O 3.43Å; V147-V235 HydrophobicContact CG1-CG2 4.49Å; V147-V235 HydrophobicContact CG2-CG1 3.96Å; V147-V235 HydrophobicContact CG2-CG2 3.94Å; L211-V235 HydrophobicContact CD1-CB 4.37Å; L211-V235 HydrophobicContact CD1-CG2 3.68Å; F231-V235 HydrophobicContact CD1-CG2 4.25Å; F231-V235 HydrophobicContact CD2-CG2 4.47Å; F231-V235 HydrophobicContact CE1-CG2 3.86Å; F231-V235 HydrophobicContact CE2-CG2 4.12Å; F231-V235 HydrophobicContact CZ-CG2 3.79Å; F231-V235 VanDerWaalsContact O-CG2 3.28Å; F231-V235 WeakPolarHBondContact O-CG2 3.43Å; F231-V235 PolarHBondContact O-N 3.21Å; V232-V235 PolarHBondContact O-N 3.34Å; V235-A238 PolarHBondContact O-N 2.87Å; V235-Q239 WeakPolarHBondContact O-CB 3.36Å; V235-Q239 PolarHBondContact O-N 2.89Å; V235-I259 HydrophobicContact CG1-CD1 4.17Å; V235-F273 HydrophobicContact CB-CZ 4.08Å; V235-F273 HydrophobicContact CG1-CE1 4.35Å; V235-F273 HydrophobicContact CG1-CZ 3.99Å; V235-F273 HydrophobicContact CG2-CE2 4.38Å; V235-F273 HydrophobicContact CG2-CZ 3.76Å
236R96.9Very high95Very high34 Ų3434.3 Ų34.313%0.12817%0.167CC..Hα-helixtrans-65.1-42177.4-67.5174.4-179.7-176.2-0.7111.9I19 V232 S233 L234 Q239 M240 D277I19-R236 HydrophobicContact CD1-CB 3.61Å; I19-R236 HydrophobicContact CG1-CB 4.25Å; I19-R236 HydrophobicContact CG2-CB 4.27Å; V232-R236 WeakPolarHBondContact O-CG 3.41Å; V232-R236 PolarHBondContact O-N 3.46Å; S233-R236 PolarHBondContact O-N 3.38Å; L234-R236 VanDerWaalsContact C-N 3.35Å; L234-R236 PolarHBondContact O-N 2.97Å; R236-Q239 PolarHBondContact O-N 2.66Å; R236-M240 WeakPolarHBondContact O-CG 3.34Å; R236-M240 PolarHBondContact O-N 2.82Å; R236-M240 VanDerWaalsContact O-N 3.14Å; R236-D277 IonicContact CZ-OD1 3.97Å; R236-D277 IonicContact NE-OD1 2.68Å; R236-D277 PolarHBondContact NE-OD1 3.02Å; R236-D277 PolarHBondContact NH2-O 2.88Å; R236-D277 IonicContact NH2-OD1 2.96Å; R236-D277 PolarHBondContact NH2-OD1 2.85Å
237S97.1Very high95.7Very high10 Ų1032.3 Ų32.37%0.0716%0.157CC..Hα-helixtrans-66.3-40.3175.7-64.10000112.3S233 L234 M240 T241S233-S237 PolarHBondContact O-N 3.05Å; S233-S237 PolarHBondContact O-OG 2.87Å; L234-S237 PolarHBondContact O-N 3.35Å; S237-M240 PolarHBondContact O-N 2.97Å; S237-T241 WeakPolarHBondContact O-CB 3.47Å; S237-T241 PolarHBondContact O-N 3.1Å; S237-T241 PolarHBondContact O-OG1 2.98Å
238A97.9Very high96.1Very high0 Ų034.2 Ų34.20%018%0.175CC..Hα-helixtrans-61.6-46175.800000111.4I13 L145 M209 L211 L234 V235 M240 T241 M242I13-A238 HydrophobicContact CD1-CB 3.94Å; I13-A238 HydrophobicContact CG1-CB 4.07Å; I13-A238 HydrophobicContact CG2-CB 4.39Å; L145-A238 HydrophobicContact CD1-CB 4.04Å; L145-A238 HydrophobicContact CD2-CB 4.16Å; M209-A238 HydrophobicContact SD-CB 3.69Å; L211-A238 HydrophobicContact CD1-CB 3.9Å; L234-A238 VanDerWaalsContact O-CB 3.23Å; L234-A238 WeakPolarHBondContact O-CB 3.42Å; L234-A238 PolarHBondContact O-N 3.37Å; V235-A238 PolarHBondContact O-N 2.87Å; A238-M240 PolarHBondContact O-N 3.22Å; A238-T241 PolarHBondContact O-N 3.46Å; A238-M242 WeakPolarHBondContact O-CB 3.24Å; A238-M242 WeakPolarHBondContact O-CG 3.3Å; A238-M242 PolarHBondContact O-N 3.38Å
239Q98.4Very high96.3Very high5 Ų541.5 Ų41.52%0.02321%0.214CC..Hα-helixtrans-56.2-50.3175.917567200110.9V144 L145 V235 R236 T241 M242 L243 R255 P257 I259V144-Q239 VanDerWaalsContact CG2-OE1 3.28Å; L145-Q239 HydrophobicContact CD2-CB 3.95Å; V235-Q239 WeakPolarHBondContact O-CB 3.36Å; V235-Q239 PolarHBondContact O-N 2.89Å; R236-Q239 PolarHBondContact O-N 2.66Å; Q239-T241 VanDerWaalsContact C-N 3.35Å; Q239-T241 PolarHBondContact O-N 2.88Å; Q239-M242 PolarHBondContact O-N 3.07Å; Q239-L243 VanDerWaalsContact O-CB 3.23Å; Q239-L243 WeakPolarHBondContact O-CB 3.41Å; Q239-L243 PolarHBondContact O-N 3.25Å; Q239-R255 VanDerWaalsContact CG-O 3.3Å; Q239-R255 WeakPolarHBondContact CG-O 3.39Å; Q239-R255 PolarHBondContact NE2-O 2.9Å; Q239-P257 PolarHBondContact NE2-O 3.39Å; Q239-I259 HydrophobicContact CB-CD1 4.11Å; Q239-I259 HydrophobicContact CG-CD1 4.05Å; Q239-I259 HydrophobicContact CG-CG1 4.22Å
240M98Very high96.6Very high12 Ų1243 Ų436%0.05922%0.219CC..Hα-helixtrans-67-36.3179.5-64.9-49.5-56.800112.6I17 I19 P20 R236 S237 A238 L243 K244I17-M240 VanDerWaalsContact CD1-C 3.42Å; I17-M240 HydrophobicContact CD1-CB 3.68Å; I17-M240 WeakPolarHBondContact CD1-O 3.47Å; I17-M240 HydrophobicContact CG1-CB 4.09Å; I17-M240 HydrophobicContact CG2-CB 3.95Å; I19-M240 HydrophobicContact CG1-CG 4.1Å; P20-M240 HydrophobicContact CG-CE 4.22Å; R236-M240 WeakPolarHBondContact O-CG 3.34Å; R236-M240 PolarHBondContact O-N 2.82Å; R236-M240 VanDerWaalsContact O-N 3.14Å; S237-M240 PolarHBondContact O-N 2.97Å; A238-M240 PolarHBondContact O-N 3.22Å; M240-L243 HydrophobicContact CE-CD2 3.99Å; M240-L243 HydrophobicContact SD-CD2 4.36Å; M240-K244 PolarHBondContact O-N 2.95Å; M240-K244 VanDerWaalsContact O-N 3.14Å
241T97.9Very high96.8Very high21 Ų2143 Ų4313%0.12923%0.232CC..Hα-helixtrans-62.5-49.8178.1-61.80000109.7D14 S237 A238 Q239 R245D14-T241 PolarHBondContact N-OG1 3.12Å; S237-T241 WeakPolarHBondContact O-CB 3.47Å; S237-T241 PolarHBondContact O-N 3.1Å; S237-T241 PolarHBondContact O-OG1 2.98Å; A238-T241 PolarHBondContact O-N 3.46Å; Q239-T241 VanDerWaalsContact C-N 3.35Å; Q239-T241 PolarHBondContact O-N 2.88Å; T241-R245 VanDerWaalsContact O-CB 3.32Å; T241-R245 WeakPolarHBondContact O-CB 3.35Å; T241-R245 PolarHBondContact O-N 3.41Å; T241-R245 VanDerWaalsContact O-N 3.14Å
242M98.3Very high96.8Very high0 Ų044.9 Ų44.90%025%0.252CS..Hα-helixtrans-71.1-34.6-179.8-68.7-56.4-62.700112.6V144 L194 E207 M209 A238 Q239 R245 V246V144-M242 HydrophobicContact CB-CB 3.82Å; V144-M242 HydrophobicContact CG2-CB 3.89Å; L194-M242 HydrophobicContact CD1-CE 3.77Å; L194-M242 HydrophobicContact CD1-SD 3.96Å; E207-M242 HydrophobicContact CB-CE 3.84Å; M209-M242 HydrophobicContact CB-CE 4.4Å; M209-M242 HydrophobicContact CB-CG 3.62Å; M209-M242 HydrophobicContact CB-SD 4.02Å; M209-M242 HydrophobicContact CE-CG 3.88Å; M209-M242 HydrophobicContact CE-SD 3.75Å; M209-M242 HydrophobicContact SD-CG 4.32Å; A238-M242 WeakPolarHBondContact O-CB 3.24Å; A238-M242 WeakPolarHBondContact O-CG 3.3Å; A238-M242 PolarHBondContact O-N 3.38Å; Q239-M242 PolarHBondContact O-N 3.07Å; M242-R245 PolarHBondContact O-N 2.96Å; M242-V246 HydrophobicContact CE-CG2 3.81Å; M242-V246 WeakPolarHBondContact O-CB 3.49Å; M242-V246 WeakPolarHBondContact O-CG2 3.48Å; M242-V246 PolarHBondContact O-N 3.27Å
243L98.1Very high96.9Very high9 Ų945 Ų455%0.04725%0.253CS..Hα-helixtrans-57.9-51.5174.6-176.462.4000111.4Q239 M240 R245 F247 W250Q239-L243 VanDerWaalsContact O-CB 3.23Å; Q239-L243 WeakPolarHBondContact O-CB 3.41Å; Q239-L243 PolarHBondContact O-N 3.25Å; M240-L243 HydrophobicContact CE-CD2 3.99Å; M240-L243 HydrophobicContact SD-CD2 4.36Å; L243-R245 VanDerWaalsContact C-N 3.26Å; L243-R245 PolarHBondContact O-N 3.15Å; L243-F247 HydrophobicContact CD1-CB 4.34Å; L243-F247 CarbonylContact O-C 3.56Å; L243-F247 WeakPolarHBondContact O-CA 3.07Å; L243-F247 PolarHBondContact O-N 3.48Å; L243-W250 HydrophobicContact CD1-CB 3.76Å; L243-W250 HydrophobicContact CD1-CD2 3.79Å; L243-W250 HydrophobicContact CD1-CE3 4.16Å; L243-W250 HydrophobicContact CD1-CG 3.6Å; L243-W250 HydrophobicContact CD2-CG 4.31Å; L243-W250 HydrophobicContact CG-CB 4.21Å; L243-W250 HydrophobicContact CG-CG 4.3Å
244K97Very high97Very high120 Ų12044.6 Ų44.652%0.52225%0.248SC..Hα-helixtrans-64.3-33.4178.3-70.5-172.8-173.8175.70112.5I17 M240I17-K244 HydrophobicContact CD1-CD 3.82Å; I17-K244 HydrophobicContact CD1-CG 4.47Å; M240-K244 PolarHBondContact O-N 2.95Å; M240-K244 VanDerWaalsContact O-N 3.14Å
245R96.3Very high97Very high110 Ų11044.9 Ų44.942%0.41525%0.248SC..Hα-helixtrans-72.9-43.3-178.7-177.4171.8177.6166.3-2.8112.7E207 T241 M242 L243E207-R245 IonicContact OE1-CZ 3.74Å; E207-R245 IonicContact OE1-NE 3.85Å; E207-R245 IonicContact OE1-NH2 3.49Å; E207-R245 PolarHBondContact OE1-NH2 2.79Å; E207-R245 IonicContact OE2-CZ 2.71Å; E207-R245 IonicContact OE2-NE 3.81Å; E207-R245 PolarHBondContact OE2-NE 3.38Å; E207-R245 IonicContact OE2-NH2 3.52Å; E207-R245 PolarHBondContact OE2-NH2 2.87Å; T241-R245 VanDerWaalsContact O-CB 3.32Å; T241-R245 WeakPolarHBondContact O-CB 3.35Å; T241-R245 PolarHBondContact O-N 3.41Å; T241-R245 VanDerWaalsContact O-N 3.14Å; M242-R245 PolarHBondContact O-N 2.96Å; L243-R245 VanDerWaalsContact C-N 3.26Å; L243-R245 PolarHBondContact O-N 3.15Å
246V97.8Very high97Very high29 Ų2944.9 Ų44.918%0.17625%0.248CC..Hα-helixtrans-95.9-36.8-172.5-176.70000111.9V144 R206 E207 M242V144-V246 HydrophobicContact CG1-CB 4.16Å; V144-V246 HydrophobicContact CG1-CG1 4.39Å; V144-V246 HydrophobicContact CG1-CG2 4.46Å; R206-V246 HydrophobicContact CB-CG1 4.29Å; R206-V246 HydrophobicContact CG-CG1 4.46Å; E207-V246 HydrophobicContact CB-CG2 4.23Å; E207-V246 WeakPolarHBondContact O-CG2 3.34Å; M242-V246 HydrophobicContact CE-CG2 3.81Å; M242-V246 WeakPolarHBondContact O-CB 3.49Å; M242-V246 WeakPolarHBondContact O-CG2 3.48Å; M242-V246 PolarHBondContact O-N 3.27Å
247F97.7Very high97.1Very high43 Ų4343.3 Ų43.319%0.18924%0.242CC..  trans-132.168.4-178.1-56.9-64.4000110.8K142 V144 L243 N249 W250K142-F247 HydrophobicContact CB-CE2 3.87Å; K142-F247 HydrophobicContact CB-CZ 3.87Å; K142-F247 HydrophobicContact CD-CZ 4.46Å; K142-F247 HydrophobicContact CG-CZ 4.24Å; K142-F247 WeakPolarHBondContact O-CE2 3.45Å; V144-F247 HydrophobicContact CG1-CD2 3.68Å; V144-F247 HydrophobicContact CG1-CE2 3.57Å; L243-F247 HydrophobicContact CD1-CB 4.34Å; L243-F247 CarbonylContact O-C 3.56Å; L243-F247 WeakPolarHBondContact O-CA 3.07Å; L243-F247 PolarHBondContact O-N 3.48Å; F247-N249 PolarHBondContact O-N 3.16Å; F247-W250 HydrophobicContact CB-CB 4.15Å; F247-W250 HydrophobicContact CB-CE3 4.19Å; F247-W250 HydrophobicContact CD2-CE3 4.3Å; F247-W250 HydrophobicContact CG-CE3 4.3Å; F247-W250 WeakPolarHBondContact O-CB 3.42Å; F247-W250 PolarHBondContact O-N 3.08Å
248P96.3Very high97.2Very high95 Ų9543.6 Ų43.662%0.61724%0.244SC*.THydrogen-bonded Turntrans-57.8-24.2-177.322.1-33.8000114
249N96.5Very high97.2Very high154 Ų15444.2 Ų44.282%0.82425%0.247SC*.THydrogen-bonded Turntrans-105.731177.4-57.8-40.5000112.4F247 A251F247-N249 PolarHBondContact O-N 3.16Å; N249-A251 PolarHBondContact O-N 3.21Å
250W97.2Very high97.2Very high71 Ų7144 Ų4427%0.26925%0.246SC..  trans-57125.2178.5178.1-98.4000111.5K142 L243 F247 G252 H253 P257K142-W250 HydrophobicContact CB-CZ3 4.35Å; K142-W250 HydrophobicContact CD-CZ3 3.99Å; L243-W250 HydrophobicContact CD1-CB 3.76Å; L243-W250 HydrophobicContact CD1-CD2 3.79Å; L243-W250 HydrophobicContact CD1-CE3 4.16Å; L243-W250 HydrophobicContact CD1-CG 3.6Å; L243-W250 HydrophobicContact CD2-CG 4.31Å; L243-W250 HydrophobicContact CG-CB 4.21Å; L243-W250 HydrophobicContact CG-CG 4.3Å; F247-W250 HydrophobicContact CB-CB 4.15Å; F247-W250 HydrophobicContact CB-CE3 4.19Å; F247-W250 HydrophobicContact CD2-CE3 4.3Å; F247-W250 HydrophobicContact CG-CE3 4.3Å; F247-W250 WeakPolarHBondContact O-CB 3.42Å; F247-W250 PolarHBondContact O-N 3.08Å; W250-G252 VanDerWaalsContact NE1-CA 3.34Å; W250-G252 PolarHBondContact NE1-O 3.4Å; W250-H253 PolarHBondContact NE1-O 2.86Å; W250-P257 HydrophobicContact CH2-CB 3.56Å; W250-P257 HydrophobicContact CH2-CG 4.03Å; W250-P257 HydrophobicContact CZ2-CB 4.02Å; W250-P257 HydrophobicContact CZ2-CG 4.41Å; W250-P257 HydrophobicContact CZ3-CB 4.12Å; W250-P257 HydrophobicContact CZ3-CG 4.18Å
251A95.5Very high97.2Very high101 Ų10143.5 Ų43.584%0.83524%0.244SC*.  trans-113.25.2-177.500000113.7N249N249-A251 PolarHBondContact O-N 3.21Å
252G95.6Very high97Very high40 Ų4042.5 Ų42.541%0.41224%0.238SC..SBendtrans-83.2-157.8173.300000111.7W250W250-G252 VanDerWaalsContact NE1-CA 3.34Å; W250-G252 PolarHBondContact NE1-O 3.4Å
253H96.3Very high96.7Very high7 Ų742.9 Ų42.93%0.03224%0.24CC..  trans-50.6140178.4-174-96.6000111.9Y25 E28 H119 W250 R255 G256Y25-H253 AromaticContact CD2-CE1 3.96Å; Y25-H253 AromaticContact CD2-NE2 3.3Å; Y25-H253 VanDerWaalsContact CD2-NE2 3.3Å; Y25-H253 WeakPolarHBondContact CD2-NE2 3.34Å; Y25-H253 AromaticContact CE2-CE1 3.59Å; Y25-H253 AromaticContact CE2-NE2 3.21Å; Y25-H253 WeakPolarHBondContact CE2-NE2 3.48Å; Y25-H253 AromaticContact CG-NE2 3.99Å; Y25-H253 AromaticContact CZ-CE1 3.71Å; Y25-H253 AromaticContact CZ-NE2 3.83Å; E28-H253 VanDerWaalsContact CD-CD2 3.42Å; E28-H253 WeakPolarHBondContact OE1-CA 3.46Å; E28-H253 WeakPolarHBondContact OE1-CB 3.43Å; E28-H253 IonicContact OE1-CD2 3Å; E28-H253 PolarHBondContact OE1-CD2 3.27Å; E28-H253 IonicContact OE1-CG 3.71Å; E28-H253 WeakPolarHBondContact OE2-CB 3.38Å; E28-H253 IonicContact OE2-CD2 3.69Å; E28-H253 IonicContact OE2-CG 3.42Å; H119-H253 AromaticContact CD2-CD2 3.66Å; H119-H253 AromaticContact CD2-CE1 3.82Å; H119-H253 AromaticContact CD2-CG 3.23Å; H119-H253 AromaticContact CD2-ND1 3.33Å; H119-H253 PolarHBondContact CD2-ND1 2.87Å; H119-H253 VanDerWaalsContact CD2-ND1 3.33Å; H119-H253 AromaticContact CE1-ND1 3.51Å; H119-H253 AromaticContact CG-CD2 3.93Å; H119-H253 AromaticContact CG-CE1 3.4Å; H119-H253 AromaticContact CG-CG 3.66Å; H119-H253 AromaticContact CG-ND1 3.31Å; H119-H253 VanDerWaalsContact CG-ND1 3.31Å; H119-H253 AromaticContact CG-NE2 3.77Å; H119-H253 AromaticContact ND1-CE1 3.7Å; H119-H253 AromaticContact ND1-ND1 3.41Å; H119-H253 PolarHBondContact ND1-ND1 3.44Å; H119-H253 WeakPolarHBondContact NE2-CB 3.4Å; H119-H253 AromaticContact NE2-CG 3.51Å; H119-H253 AromaticContact NE2-ND1 3.46Å; H119-H253 PolarHBondContact NE2-ND1 2.95Å; W250-H253 PolarHBondContact NE1-O 2.86Å; H253-R255 WeakPolarHBondContact ND1-CB 3.44Å; H253-R255 PolarHBondContact ND1-N 3.27Å; H253-R255 VanDerWaalsContact ND1-N 3.12Å; H253-R255 PolarHBondContact O-N 3.43Å; H253-G256 PolarHBondContact O-N 2.99Å
254P96Very high96Very high56 Ų5643.2 Ų43.236%0.36424%0.243SC..THydrogen-bonded Turntrans-59.4-17.9-175.6-31.340.2000115.7P20 Y25 G256P20-P254 HydrophobicContact CB-CB 4.15Å; P20-P254 HydrophobicContact CG-CB 4.13Å; Y25-P254 HydrophobicContact CD1-CB 4.32Å; Y25-P254 HydrophobicContact CD1-CG 4.46Å; Y25-P254 HydrophobicContact CG-CG 4.37Å; P254-G256 VanDerWaalsContact C-N 3.35Å
255R95.6Very high95.4Very high25 Ų2538.5 Ų38.59%0.09423%0.227CC..THydrogen-bonded Turntrans-91.28.6172.8-64.5-163.9169.1171.120.7115P20 Y25 Q239 H253 E281P20-R255 PolarHBondContact O-NE 3.4Å; P20-R255 PolarHBondContact O-NH2 2.76Å; Y25-R255 HydrophobicContact CE1-CG 4.19Å; Y25-R255 PolarHBondContact OH-NE 3.42Å; Y25-R255 VanDerWaalsContact OH-NE 3.16Å; Y25-R255 PolarHBondContact OH-NH2 3.39Å; Q239-R255 VanDerWaalsContact CG-O 3.3Å; Q239-R255 WeakPolarHBondContact CG-O 3.39Å; Q239-R255 PolarHBondContact NE2-O 2.9Å; H253-R255 WeakPolarHBondContact ND1-CB 3.44Å; H253-R255 PolarHBondContact ND1-N 3.27Å; H253-R255 VanDerWaalsContact ND1-N 3.12Å; H253-R255 PolarHBondContact O-N 3.43Å; R255-E281 VanDerWaalsContact CZ-CD 3.44Å; R255-E281 IonicContact CZ-OE1 3.96Å; R255-E281 IonicContact CZ-OE2 2.85Å; R255-E281 IonicContact NE-OE1 3.07Å; R255-E281 IonicContact NH1-OE1 3Å; R255-E281 PolarHBondContact NH1-OE1 2.87Å; R255-E281 IonicContact NH1-OE2 2.74Å; R255-E281 PolarHBondContact NH1-OE2 3.43Å; R255-E281 IonicContact NH2-OE1 3.66Å; R255-E281 PolarHBondContact NH2-OE1 2.77Å; R255-E281 IonicContact NH2-OE2 2.72Å
256G97.2Very high94.9Very high0 Ų033.3 Ų33.30%021%0.207CC..  trans85.1-171.3175.200000114.2H119 H253 P254H119-G256 PolarHBondContact CE1-O 3.41Å; H119-G256 VanDerWaalsContact CE1-O 3.31Å; H119-G256 PolarHBondContact NE2-O 3.15Å; H253-G256 PolarHBondContact O-N 2.99Å; P254-G256 VanDerWaalsContact C-N 3.35Å
257P98.3Very high94.5Very high2 Ų232.4 Ų32.41%0.01320%0.202CC..SBendtrans-67.7172.1176.626.8-30.6000111.8K142 V144 Q239 W250K142-P257 HydrophobicContact CB-CB 4.39Å; K142-P257 WeakPolarHBondContact O-CB 3.48Å; K142-P257 WeakPolarHBondContact O-CG 3.24Å; V144-P257 HydrophobicContact CG1-CG 4.19Å; V144-P257 HydrophobicContact CG2-CG 4.31Å; Q239-P257 PolarHBondContact NE2-O 3.39Å; W250-P257 HydrophobicContact CH2-CB 3.56Å; W250-P257 HydrophobicContact CH2-CG 4.03Å; W250-P257 HydrophobicContact CZ2-CB 4.02Å; W250-P257 HydrophobicContact CZ2-CG 4.41Å; W250-P257 HydrophobicContact CZ3-CB 4.12Å; W250-P257 HydrophobicContact CZ3-CG 4.18Å
258P98.6Very high94.3Very high15 Ų1530.7 Ų30.710%0.09720%0.196CC..PPolyproline II helixtrans-54.9139.6178.2-21.429.9000113.2F113 N121 A122 I124 C143F113-P258 HydrophobicContact CE1-CG 4.13Å; N121-P258 VanDerWaalsContact O-CB 3.23Å; N121-P258 WeakPolarHBondContact O-CB 3.15Å; N121-P258 WeakPolarHBondContact O-CG 3.45Å; A122-P258 WeakPolarHBondContact O-CA 3.41Å; I124-P258 HydrophobicContact CD1-CB 3.79Å; I124-P258 HydrophobicContact CD1-CG 4.18Å; I124-P258 HydrophobicContact CG1-CB 3.72Å; I124-P258 HydrophobicContact CG1-CG 4.39Å; C143-P258 PolarHBondContact SG-O 3.46Å
259I98.8Very high94.1Very high14 Ų1426.3 Ų26.37%0.07217%0.167CC..EExtended strand (participates in β ladder)trans-87.9127.2169.8-59.9170.9000108.5A122 Y123 I124 L145 V147 V235 Q239 V261A122-I259 PolarHBondContact O-N 3.25Å; Y123-I259 CarbonylContact C-O 3.56Å; Y123-I259 VanDerWaalsContact CA-O 3.22Å; Y123-I259 WeakPolarHBondContact CA-O 3.48Å; Y123-I259 HydrophobicContact CD1-CB 4.15Å; I124-I259 PolarHBondContact N-O 3.06Å; L145-I259 HydrophobicContact CB-CG2 4.35Å; L145-I259 HydrophobicContact CD2-CD1 4.26Å; L145-I259 HydrophobicContact CD2-CG1 4.38Å; L145-I259 HydrophobicContact CD2-CG2 4.07Å; L145-I259 HydrophobicContact CG-CG2 4.15Å; V147-I259 HydrophobicContact CG2-CG2 3.82Å; V235-I259 HydrophobicContact CG1-CD1 4.17Å; Q239-I259 HydrophobicContact CB-CD1 4.11Å; Q239-I259 HydrophobicContact CG-CD1 4.05Å; Q239-I259 HydrophobicContact CG-CG1 4.22Å; I259-V261 HydrophobicContact CG2-CG2 3.94Å; I259-V261 PolarHBondContact O-N 3.17Å
260V98.5Very high94Very high0 Ų019.1 Ų19.10%013%0.129CC..EExtended strand (participates in β ladder)trans-78.2117174.2-179.50000108.8I124 P126 F134 M137 V138 C143 L145 V146 V147I124-V260 CarbonylContact O-C 3.5Å; I124-V260 WeakPolarHBondContact O-CA 3.26Å; P126-V260 HydrophobicContact CG-CG1 3.7Å; F134-V260 HydrophobicContact CE2-CG1 3.83Å; F134-V260 HydrophobicContact CZ-CG1 4.27Å; M137-V260 HydrophobicContact CE-CG1 4.19Å; M137-V260 HydrophobicContact CE-CG2 4.16Å; V138-V260 HydrophobicContact CG2-CG2 4.18Å; C143-V260 HydrophobicContact CB-CG2 3.89Å; C143-V260 VanDerWaalsContact SG-CG2 3.58Å; L145-V260 PolarHBondContact O-N 3.18Å; L145-V260 VanDerWaalsContact O-N 3.09Å; V146-V260 CarbonylContact C-O 3.48Å; V146-V260 WeakPolarHBondContact CA-O 3.33Å; V146-V260 HydrophobicContact CB-CB 4.46Å; V146-V260 HydrophobicContact CG1-CB 4.26Å; V146-V260 HydrophobicContact CG1-CG1 4.17Å; V146-V260 HydrophobicContact CG2-CB 4.18Å; V147-V260 PolarHBondContact N-O 3.27Å
261V97.7Very high93.9Very high2 Ų216.1 Ų16.11%0.01212%0.119CC..EExtended strand (participates in β ladder)trans-120117.3178.2-170.10000109.6Y123 I124 G125 V147 V149 I259 F273 V274Y123-V261 HydrophobicContact CD1-CG2 3.97Å; I124-V261 PolarHBondContact O-N 3.33Å; G125-V261 WeakPolarHBondContact CA-O 3.46Å; V147-V261 HydrophobicContact CB-CG1 4.28Å; V147-V261 HydrophobicContact CB-CG2 4.28Å; V147-V261 HydrophobicContact CG1-CG1 4.32Å; V147-V261 WeakPolarHBondContact O-CA 3.41Å; V149-V261 HydrophobicContact CG2-CG1 4.35Å; I259-V261 HydrophobicContact CG2-CG2 3.94Å; I259-V261 PolarHBondContact O-N 3.17Å; V261-F273 HydrophobicContact CG1-CD1 3.8Å; V261-F273 HydrophobicContact CG2-CD1 4.38Å; V261-F273 HydrophobicContact CG2-CE1 4.44Å; V261-V274 HydrophobicContact CB-CG2 4.05Å; V261-V274 HydrophobicContact CG1-CG2 4.19Å; V261-V274 HydrophobicContact CG2-CG2 3.95Å
262H94.6Very high94Very high0 Ų011.3 Ų11.30%08%0.079CC..EExtended strand (participates in β ladder)trans-136.3159.7179.780.992.2000112.9P126 K128 V147 M148 V149 Y163P126-H262 HydrophobicContact CG-CB 4.05Å; K128-H262 VanDerWaalsContact CE-CD2 3.42Å; K128-H262 WeakPolarHBondContact CE-CD2 3.49Å; K128-H262 WeakPolarHBondContact CE-CE1 3.34Å; K128-H262 VanDerWaalsContact CE-ND1 3.34Å; K128-H262 WeakPolarHBondContact CE-ND1 3.45Å; K128-H262 WeakPolarHBondContact CE-NE2 3.27Å; K128-H262 PolarHBondContact NZ-CD2 3.1Å; K128-H262 PolarHBondContact NZ-CE1 2.9Å; K128-H262 PolarHBondContact NZ-NE2 3.29Å; V147-H262 PolarHBondContact O-N 3.01Å; M148-H262 WeakPolarHBondContact CB-NE2 2.9Å; M148-H262 VanDerWaalsContact CG-CE1 3.47Å; M148-H262 WeakPolarHBondContact CG-CE1 3.49Å; V149-H262 PolarHBondContact N-O 3.45Å; Y163-H262 AromaticContact CZ-NE2 3.75Å; Y163-H262 PolarHBondContact OH-NE2 3.31Å
263C90.1Very high94Very high8 Ų89.4 Ų9.45%0.0546%0.06CC..  trans-127.7-128.3165.661.10000107.6T150 G266 R269 S270T150-C263 HydrophobicContact CG2-CB 4.5Å; C263-G266 PolarHBondContact SG-N 3.05Å; C263-G266 VanDerWaalsContact SG-N 3.44Å; C263-R269 HydrophobicContact CB-CB 4.07Å; C263-S270 PolarHBondContact SG-OG 3.03Å
264S85.4Confident94Very high16 Ų169.4 Ų9.411%0.1126%0.06CC..SBendtrans-83.4-57.9173.3-175.60000112.8R86 Y87 K159R86-S264 PolarHBondContact NH1-O 2.76Å; Y87-S264 PolarHBondContact OH-OG 3.29Å; Y87-S264 VanDerWaalsContact OH-OG 3.1Å; K159-S264 VanDerWaalsContact O-CA 3.26Å; K159-S264 WeakPolarHBondContact O-CA 3.34Å; K159-S264 VanDerWaalsContact O-CB 3.24Å; K159-S264 WeakPolarHBondContact O-CB 3.41Å; K159-S264 PolarHBondContact O-OG 2.95Å
265A83.3Confident94.1Very high21 Ų216.8 Ų6.817%0.1744%0.043CC..SBendtrans-98.6-3178.500000114.1Y87 V90 T127 V267Y87-A265 HydrophobicContact CD2-CB 3.75Å; Y87-A265 HydrophobicContact CE2-CB 3.58Å; V90-A265 HydrophobicContact CG2-CB 4.35Å; T127-A265 WeakPolarHBondContact CG2-O 3.23Å; A265-V267 HydrophobicContact CB-CG2 4.03Å; A265-V267 PolarHBondContact O-N 3.48Å
266G85.4Confident94.2Very high1 Ų15.6 Ų5.61%0.014%0.039CC..SBendtrans69.68.1-179.700000115.2C263 S270C263-G266 PolarHBondContact SG-N 3.05Å; C263-G266 VanDerWaalsContact SG-N 3.44Å; G266-S270 VanDerWaalsContact CA-OG 3.28Å; G266-S270 WeakPolarHBondContact CA-OG 3.42Å; G266-S270 PolarHBondContact O-OG 3Å
267V90.8Very high94.2Very high9 Ų95.8 Ų5.86%0.0554%0.04CC..SBendtrans-120.7-19.8-177.4-62.40000114.9V90 A265 A271 R302 R303 A305 V306V90-V267 HydrophobicContact CG1-CG1 3.73Å; V90-V267 HydrophobicContact CG1-CG2 4.44Å; A265-V267 HydrophobicContact CB-CG2 4.03Å; A265-V267 PolarHBondContact O-N 3.48Å; V267-A271 WeakPolarHBondContact O-CB 3.34Å; V267-R302 HydrophobicContact CG1-CG 4.31Å; V267-R303 WeakPolarHBondContact CG1-O 3.49Å; V267-A305 CarbonylContact O-C 3.54Å; V267-A305 WeakPolarHBondContact O-CA 3.19Å; V267-V306 PolarHBondContact O-N 3.32Å
268G92.5Very high94.1Very high7 Ų75.7 Ų5.77%0.0724%0.039CC..SBendtrans-88.6-96.2-178.300000112.9S270 A271 S272G268-S270 PolarHBondContact O-N 3.07Å; G268-A271 PolarHBondContact O-N 2.8Å; G268-S272 WeakPolarHBondContact O-CB 3.48Å; G268-S272 PolarHBondContact O-N 3.28Å; G268-S272 PolarHBondContact O-OG 2.68Å
269R92.7Very high93.9Very high4 Ų45 Ų52%0.0154%0.035CC..Hα-helixtrans-58-44.3-179.3-65.8-179.3-83.3175.7-0.3113.1V149 T150 E154 W216 D218 C263 S272 F273V149-R269 HydrophobicContact CB-CB 4.13Å; V149-R269 HydrophobicContact CG1-CB 3.81Å; V149-R269 WeakPolarHBondContact O-CD 3.25Å; V149-R269 VanDerWaalsContact O-CZ 3.26Å; V149-R269 PolarHBondContact O-NE 3.43Å; V149-R269 PolarHBondContact O-NH1 3.35Å; T150-R269 VanDerWaalsContact CB-NH2 3.33Å; T150-R269 PolarHBondContact OG1-NH2 3.36Å; E154-R269 VanDerWaalsContact CD-NH1 3.27Å; E154-R269 IonicContact OE1-CZ 2.63Å; E154-R269 IonicContact OE1-NH1 3.98Å; E154-R269 PolarHBondContact OE1-NH1 2.7Å; E154-R269 IonicContact OE1-NH2 2.68Å; E154-R269 PolarHBondContact OE1-NH2 2.81Å; E154-R269 IonicContact OE2-CZ 3.4Å; E154-R269 VanDerWaalsContact OE2-CZ 3.23Å; E154-R269 IonicContact OE2-NH1 2.94Å; E154-R269 PolarHBondContact OE2-NH1 3.41Å; E154-R269 IonicContact OE2-NH2 3.49Å; E154-R269 PolarHBondContact OE2-NH2 2.74Å; W216-R269 VanDerWaalsContact CD1-CD 3.49Å; W216-R269 HydrophobicContact CD2-CB 4.23Å; W216-R269 HydrophobicContact CD2-CG 4.01Å; W216-R269 HydrophobicContact CG-CG 4.02Å; W216-R269 HydrophobicContact CZ2-CG 4.4Å; W216-R269 PolarHBondContact O-NH1 2.96Å; D218-R269 IonicContact OD1-CZ 3.43Å; D218-R269 IonicContact OD1-NE 3.38Å; D218-R269 IonicContact OD1-NH2 3.54Å; C263-R269 HydrophobicContact CB-CB 4.07Å; R269-S272 WeakPolarHBondContact O-CB 3.23Å; R269-S272 PolarHBondContact O-N 2.86Å; R269-F273 PolarHBondContact O-N 3.09Å
270S94Very high93.7Very high3 Ų34.6 Ų4.62%0.0213%0.033CC..Hα-helixtrans-59.9-49.8178.152.70000112.2C263 G266 G268 S272 F273 V274C263-S270 PolarHBondContact SG-OG 3.03Å; G266-S270 VanDerWaalsContact CA-OG 3.28Å; G266-S270 WeakPolarHBondContact CA-OG 3.42Å; G266-S270 PolarHBondContact O-OG 3Å; G268-S270 PolarHBondContact O-N 3.07Å; S270-S272 VanDerWaalsContact C-N 3.3Å; S270-S272 PolarHBondContact O-N 3.49Å; S270-F273 WeakPolarHBondContact O-CB 3.24Å; S270-F273 PolarHBondContact O-N 3.15Å; S270-V274 WeakPolarHBondContact O-CG2 3.42Å; S270-V274 PolarHBondContact O-N 3.47Å
271A95.6Very high93.5Very high7 Ų74.9 Ų4.96%0.0583%0.034CC..Hα-helixtrans-67.5-34178.400000111.9V267 G268 V274 L275 A305V267-A271 WeakPolarHBondContact O-CB 3.34Å; G268-A271 PolarHBondContact O-N 2.8Å; A271-V274 PolarHBondContact O-N 3.34Å; A271-L275 WeakPolarHBondContact O-CB 3.37Å; A271-L275 PolarHBondContact O-N 3.45Å; A271-A305 HydrophobicContact CB-CB 3.63Å
272S96Very high93.2Very high0 Ų04.8 Ų4.80%03%0.033CC..Hα-helixtrans-63.6-42.7174.1-56.60000111.4W216 G268 R269 S270 L275 I276W216-S272 VanDerWaalsContact CH2-CB 3.48Å; G268-S272 WeakPolarHBondContact O-CB 3.48Å; G268-S272 PolarHBondContact O-N 3.28Å; G268-S272 PolarHBondContact O-OG 2.68Å; R269-S272 WeakPolarHBondContact O-CB 3.23Å; R269-S272 PolarHBondContact O-N 2.86Å; S270-S272 VanDerWaalsContact C-N 3.3Å; S270-S272 PolarHBondContact O-N 3.49Å; S272-L275 PolarHBondContact O-N 2.85Å; S272-I276 WeakPolarHBondContact O-CD1 3.37Å; S272-I276 VanDerWaalsContact O-CG1 3.24Å; S272-I276 WeakPolarHBondContact O-CG1 3.31Å; S272-I276 PolarHBondContact O-N 3.42Å
273F96.3Very high93.1Very high1 Ų15.1 Ų5.10%0.0044%0.035CC..Hα-helixtrans-61.2-49.3173.8172.8-95.6000111.9V147 V149 W216 I228 F231 V232 V235 V261 R269 S270 L275 I276 D277V147-F273 HydrophobicContact CG1-CE1 4.3Å; V149-F273 HydrophobicContact CG2-CB 4.37Å; W216-F273 HydrophobicContact CZ3-CB 4.36Å; I228-F273 HydrophobicContact CD1-CD2 4.41Å; F231-F273 HydrophobicContact CD1-CD2 4.03Å; F231-F273 AromaticContact CD1-CE2 3.53Å; F231-F273 HydrophobicContact CD1-CE2 3.53Å; F231-F273 HydrophobicContact CD1-CZ 4.36Å; F231-F273 HydrophobicContact CE1-CD2 4.09Å; F231-F273 AromaticContact CE1-CE2 3.68Å; F231-F273 HydrophobicContact CE1-CE2 3.68Å; F231-F273 HydrophobicContact CE1-CZ 4.2Å; V232-F273 HydrophobicContact CG2-CD2 4.46Å; V232-F273 HydrophobicContact CG2-CE2 3.72Å; V232-F273 HydrophobicContact CG2-CZ 4.3Å; V235-F273 HydrophobicContact CB-CZ 4.08Å; V235-F273 HydrophobicContact CG1-CE1 4.35Å; V235-F273 HydrophobicContact CG1-CZ 3.99Å; V235-F273 HydrophobicContact CG2-CE2 4.38Å; V235-F273 HydrophobicContact CG2-CZ 3.76Å; V261-F273 HydrophobicContact CG1-CD1 3.8Å; V261-F273 HydrophobicContact CG2-CD1 4.38Å; V261-F273 HydrophobicContact CG2-CE1 4.44Å; R269-F273 PolarHBondContact O-N 3.09Å; S270-F273 WeakPolarHBondContact O-CB 3.24Å; S270-F273 PolarHBondContact O-N 3.15Å; F273-L275 VanDerWaalsContact C-N 3.31Å; F273-L275 PolarHBondContact O-N 2.96Å; F273-I276 WeakPolarHBondContact O-CB 3.44Å; F273-I276 PolarHBondContact O-N 3.06Å; F273-I276 VanDerWaalsContact O-N 3.15Å; F273-D277 PolarHBondContact O-N 3.02Å
274V97.5Very high93.1Very high7 Ų78.2 Ų8.24%0.0425%0.051CC..Hα-helixtrans-57.5-44.6176.21690000111V114 Y123 V261 S270 A271 I276 D277 I278V114-V274 HydrophobicContact CG1-CG1 4.03Å; Y123-V274 HydrophobicContact CD1-CG2 4.02Å; Y123-V274 HydrophobicContact CD2-CG1 3.52Å; Y123-V274 HydrophobicContact CD2-CG2 4.26Å; Y123-V274 HydrophobicContact CE1-CG2 4.49Å; Y123-V274 HydrophobicContact CE2-CG1 3.68Å; Y123-V274 HydrophobicContact CG-CG1 4.04Å; Y123-V274 HydrophobicContact CG-CG2 3.9Å; V261-V274 HydrophobicContact CB-CG2 4.05Å; V261-V274 HydrophobicContact CG1-CG2 4.19Å; V261-V274 HydrophobicContact CG2-CG2 3.95Å; S270-V274 WeakPolarHBondContact O-CG2 3.42Å; S270-V274 PolarHBondContact O-N 3.47Å; A271-V274 PolarHBondContact O-N 3.34Å; V274-I276 VanDerWaalsContact C-N 3.32Å; V274-I276 PolarHBondContact O-N 2.79Å; V274-D277 PolarHBondContact O-N 3.22Å; V274-I278 HydrophobicContact CG1-CD1 3.85Å; V274-I278 WeakPolarHBondContact O-CG1 3.06Å; V274-I278 PolarHBondContact O-N 2.98Å
275L97.1Very high93.3Very high0 Ų09.3 Ų9.30%06%0.056CC..Hα-helixtrans-63.1-39.5178.4-158.775000112.1A271 S272 F273 C279 V291 I294 L295 V298 V306 I315A271-L275 WeakPolarHBondContact O-CB 3.37Å; A271-L275 PolarHBondContact O-N 3.45Å; S272-L275 PolarHBondContact O-N 2.85Å; F273-L275 VanDerWaalsContact C-N 3.31Å; F273-L275 PolarHBondContact O-N 2.96Å; L275-C279 WeakPolarHBondContact O-CB 3.04Å; L275-C279 PolarHBondContact O-N 3.3Å; L275-C279 PolarHBondContact O-SG 3.46Å; L275-V291 HydrophobicContact CD2-CG1 4.1Å; L275-I294 HydrophobicContact CD1-CB 4.01Å; L275-I294 HydrophobicContact CD1-CG2 3.31Å; L275-I294 HydrophobicContact CG-CG2 4.22Å; L275-L295 HydrophobicContact CD1-CB 4.34Å; L275-L295 HydrophobicContact CD2-CB 3.96Å; L275-L295 HydrophobicContact CD2-CD1 4.12Å; L275-L295 HydrophobicContact CD2-CG 4.48Å; L275-V298 HydrophobicContact CD1-CB 4.25Å; L275-V298 HydrophobicContact CD1-CG2 3.54Å; L275-V306 HydrophobicContact CD2-CG2 4.26Å; L275-I315 HydrophobicContact CB-CD1 4.2Å; L275-I315 HydrophobicContact CD2-CD1 3.58Å; L275-I315 HydrophobicContact CD2-CG2 4.05Å; L275-I315 HydrophobicContact CG-CD1 4.43Å; L275-I315 HydrophobicContact CG-CG2 4.41Å
276I97Very high93.5Very high1 Ų19.2 Ų9.21%0.0055%0.054CC..Hα-helixtrans-61-50.4174.7-73.9163.6000109.7W216 I228 V232 S272 F273 V274 I278 C279 L280 F314 I315 V318W216-I276 HydrophobicContact CH2-CD1 4.31Å; I228-I276 HydrophobicContact CG1-CD1 4.24Å; I228-I276 HydrophobicContact CG1-CG2 4.38Å; I228-I276 HydrophobicContact CG2-CG2 4.28Å; V232-I276 HydrophobicContact CG2-CG2 4.19Å; S272-I276 WeakPolarHBondContact O-CD1 3.37Å; S272-I276 VanDerWaalsContact O-CG1 3.24Å; S272-I276 WeakPolarHBondContact O-CG1 3.31Å; S272-I276 PolarHBondContact O-N 3.42Å; F273-I276 WeakPolarHBondContact O-CB 3.44Å; F273-I276 PolarHBondContact O-N 3.06Å; F273-I276 VanDerWaalsContact O-N 3.15Å; V274-I276 VanDerWaalsContact C-N 3.32Å; V274-I276 PolarHBondContact O-N 2.79Å; I276-I278 VanDerWaalsContact C-N 3.34Å; I276-I278 PolarHBondContact O-N 3.43Å; I276-C279 PolarHBondContact O-N 3.42Å; I276-C279 VanDerWaalsContact O-N 3.12Å; I276-L280 HydrophobicContact CG2-CD1 3.68Å; I276-L280 HydrophobicContact CG2-CG 4.07Å; I276-L280 VanDerWaalsContact O-CG 3.25Å; I276-L280 WeakPolarHBondContact O-CG 3.37Å; I276-L280 PolarHBondContact O-N 3.42Å; I276-F314 HydrophobicContact CD1-CD1 4.11Å; I276-F314 HydrophobicContact CD1-CE1 3.78Å; I276-I315 HydrophobicContact CD1-CG1 4.23Å; I276-I315 HydrophobicContact CG1-CB 4.32Å; I276-I315 HydrophobicContact CG1-CG1 3.98Å; I276-I315 HydrophobicContact CG1-CG2 3.99Å; I276-V318 HydrophobicContact CD1-CG1 4.47Å; I276-V318 HydrophobicContact CD1-CG2 4.21Å; I276-V318 HydrophobicContact CG1-CG1 4.27Å; I276-V318 HydrophobicContact CG2-CG1 3.78Å
277D97.2Very high93.7Very high4 Ų49.7 Ų9.72%0.0216%0.059CC..Hα-helixtrans-56.8-47.7-178.7-168.528.5000111.6Y123 V232 R236 F273 V274 C279 L280 E281Y123-D277 PolarHBondContact OH-OD2 3.43Å; V232-D277 VanDerWaalsContact CG1-OD1 3.3Å; V232-D277 WeakPolarHBondContact CG1-OD1 3.5Å; R236-D277 IonicContact CZ-OD1 3.97Å; R236-D277 IonicContact NE-OD1 2.68Å; R236-D277 PolarHBondContact NE-OD1 3.02Å; R236-D277 PolarHBondContact NH2-O 2.88Å; R236-D277 IonicContact NH2-OD1 2.96Å; R236-D277 PolarHBondContact NH2-OD1 2.85Å; F273-D277 PolarHBondContact O-N 3.02Å; V274-D277 PolarHBondContact O-N 3.22Å; D277-C279 PolarHBondContact O-N 3.4Å; D277-L280 PolarHBondContact O-N 2.86Å; D277-E281 WeakPolarHBondContact O-CB 3.47Å; D277-E281 PolarHBondContact O-N 3.24Å
278I96.5Very high93.6Very high0 Ų010 Ų100%06%0.061CC..Hα-helixtrans-59-47.7175.3-62.9164.5000111F32 D115 Y123 V274 I276 L280 E281 M282 I294 V298F32-I278 HydrophobicContact CB-CG2 4.31Å; F32-I278 HydrophobicContact CD1-CG2 4.11Å; F32-I278 HydrophobicContact CD2-CD1 4.17Å; F32-I278 HydrophobicContact CE1-CD1 4.45Å; F32-I278 HydrophobicContact CE2-CD1 3.89Å; F32-I278 HydrophobicContact CG-CG2 4.08Å; F32-I278 HydrophobicContact CZ-CD1 4.07Å; D115-I278 WeakPolarHBondContact O-CD1 3.42Å; Y123-I278 HydrophobicContact CE2-CD1 4.4Å; Y123-I278 HydrophobicContact CE2-CG1 4.25Å; V274-I278 HydrophobicContact CG1-CD1 3.85Å; V274-I278 WeakPolarHBondContact O-CG1 3.06Å; V274-I278 PolarHBondContact O-N 2.98Å; I276-I278 VanDerWaalsContact C-N 3.34Å; I276-I278 PolarHBondContact O-N 3.43Å; I278-L280 PolarHBondContact O-N 3.21Å; I278-E281 PolarHBondContact O-N 3.13Å; I278-M282 HydrophobicContact CG2-CG 4.42Å; I278-M282 HydrophobicContact CG2-SD 4.06Å; I278-M282 VanDerWaalsContact O-CG 3.29Å; I278-M282 WeakPolarHBondContact O-CG 3.3Å; I278-M282 PolarHBondContact O-N 3.32Å; I278-I294 HydrophobicContact CB-CG2 4.27Å; I278-I294 HydrophobicContact CD1-CG2 4.46Å; I278-I294 HydrophobicContact CG2-CD1 4.47Å; I278-I294 HydrophobicContact CG2-CG2 3.7Å; I278-V298 HydrophobicContact CD1-CG2 4.15Å
279C95.4Very high93.6Very high0 Ų09.6 Ų9.60%06%0.057CC..Hα-helixtrans-61.8-43.4-179.5-72.10000112.2L275 I276 D277 M282 L283 V289 I294 V319L275-C279 WeakPolarHBondContact O-CB 3.04Å; L275-C279 PolarHBondContact O-N 3.3Å; L275-C279 PolarHBondContact O-SG 3.46Å; I276-C279 PolarHBondContact O-N 3.42Å; I276-C279 VanDerWaalsContact O-N 3.12Å; D277-C279 PolarHBondContact O-N 3.4Å; C279-M282 PolarHBondContact O-N 2.89Å; C279-L283 WeakPolarHBondContact O-CB 3.42Å; C279-L283 VanDerWaalsContact O-CG 3.29Å; C279-L283 WeakPolarHBondContact O-CG 3.27Å; C279-L283 PolarHBondContact O-N 3.42Å; C279-L283 VanDerWaalsContact O-N 3.07Å; C279-V289 HydrophobicContact CB-CG2 3.92Å; C279-I294 VanDerWaalsContact SG-CD1 3.54Å; C279-V319 HydrophobicContact CB-CG2 3.71Å
280L94.4Very high93.6Very high6 Ų611.9 Ų11.93%0.0317%0.07CC..Hα-helixtrans-66.5-40.5179.9-64.6179.9000111.2F229 V232 I276 D277 I278 L283 D284 V318 K322F229-L280 HydrophobicContact CD1-CD1 3.75Å; F229-L280 HydrophobicContact CD1-CD2 4.17Å; F229-L280 HydrophobicContact CE1-CD1 4.1Å; F229-L280 HydrophobicContact CE1-CD2 3.75Å; V232-L280 HydrophobicContact CB-CD1 4.38Å; V232-L280 HydrophobicContact CG1-CD1 4.23Å; V232-L280 HydrophobicContact CG2-CD1 4.15Å; I276-L280 HydrophobicContact CG2-CD1 3.68Å; I276-L280 HydrophobicContact CG2-CG 4.07Å; I276-L280 VanDerWaalsContact O-CG 3.25Å; I276-L280 WeakPolarHBondContact O-CG 3.37Å; I276-L280 PolarHBondContact O-N 3.42Å; D277-L280 PolarHBondContact O-N 2.86Å; I278-L280 PolarHBondContact O-N 3.21Å; L280-L283 PolarHBondContact O-N 3.45Å; L280-D284 WeakPolarHBondContact O-CB 3.3Å; L280-D284 VanDerWaalsContact O-CG 3.31Å; L280-D284 PolarHBondContact O-N 3.29Å; L280-V318 HydrophobicContact CD2-CG1 4.43Å; L280-K322 HydrophobicContact CD2-CB 3.6Å; L280-K322 HydrophobicContact CD2-CD 3.98Å; L280-K322 HydrophobicContact CD2-CG 3.57Å
281E93.5Very high93.6Very high5 Ų511.7 Ų11.72%0.0237%0.069CC..Hα-helixtrans-63.6-45.3176-162.4175.5169.900113.2A22 Y25 Y117 R255 D277 I278 L283 D284 D285A22-E281 HydrophobicContact CB-CG 4.19Å; A22-E281 WeakPolarHBondContact CB-OE1 3.45Å; Y25-E281 PolarHBondContact OH-OE1 3.26Å; Y117-E281 HydrophobicContact CD1-CB 4.41Å; Y117-E281 HydrophobicContact CD1-CG 3.82Å; Y117-E281 HydrophobicContact CG-CG 4.37Å; R255-E281 VanDerWaalsContact CZ-CD 3.44Å; R255-E281 IonicContact CZ-OE1 3.96Å; R255-E281 IonicContact CZ-OE2 2.85Å; R255-E281 IonicContact NE-OE1 3.07Å; R255-E281 IonicContact NH1-OE1 3Å; R255-E281 PolarHBondContact NH1-OE1 2.87Å; R255-E281 IonicContact NH1-OE2 2.74Å; R255-E281 PolarHBondContact NH1-OE2 3.43Å; R255-E281 IonicContact NH2-OE1 3.66Å; R255-E281 PolarHBondContact NH2-OE1 2.77Å; R255-E281 IonicContact NH2-OE2 2.72Å; D277-E281 WeakPolarHBondContact O-CB 3.47Å; D277-E281 PolarHBondContact O-N 3.24Å; I278-E281 PolarHBondContact O-N 3.13Å; E281-L283 VanDerWaalsContact C-N 3.28Å; E281-L283 PolarHBondContact O-N 3.26Å; E281-D284 PolarHBondContact O-N 3.46Å; E281-D285 PolarHBondContact O-N 3.25Å
282M92.7Very high93.5Very high0 Ų011.6 Ų11.60%07%0.067CC..Hα-helixtrans-61.2-38.8176.7-73-174.876.400112.3A37 Y117 I278 C279 S286 C288 I294A37-M282 HydrophobicContact CB-CE 3.71Å; Y117-M282 HydrophobicContact CD1-CG 4.35Å; Y117-M282 HydrophobicContact CD2-CE 4.34Å; Y117-M282 HydrophobicContact CD2-CG 3.26Å; Y117-M282 HydrophobicContact CD2-SD 4.01Å; Y117-M282 HydrophobicContact CE2-CE 4.09Å; Y117-M282 HydrophobicContact CE2-CG 3.6Å; Y117-M282 HydrophobicContact CE2-SD 4.35Å; Y117-M282 HydrophobicContact CG-CG 3.68Å; I278-M282 HydrophobicContact CG2-CG 4.42Å; I278-M282 HydrophobicContact CG2-SD 4.06Å; I278-M282 VanDerWaalsContact O-CG 3.29Å; I278-M282 WeakPolarHBondContact O-CG 3.3Å; I278-M282 PolarHBondContact O-N 3.32Å; C279-M282 PolarHBondContact O-N 2.89Å; M282-S286 PolarHBondContact O-N 3.16Å; M282-S286 PolarHBondContact O-OG 3.4Å; M282-C288 CarbonylContact C-O 3.55Å; M282-C288 WeakPolarHBondContact CB-O 3.35Å; M282-I294 HydrophobicContact SD-CD1 3.54Å; M282-I294 VanDerWaalsContact SD-CD1 3.54Å; M282-I294 HydrophobicContact SD-CG1 3.98Å
283L91.6Very high93.3Very high7 Ų712.9 Ų12.94%0.0378%0.076CC..Hα-helixtrans-64.7-43.3174.7-76.6169.6000111.8I40 C279 L280 E281 G287 V289 V319 K322 I323I40-L283 HydrophobicContact CD1-CD2 4.02Å; I40-L283 HydrophobicContact CG1-CD2 3.74Å; C279-L283 WeakPolarHBondContact O-CB 3.42Å; C279-L283 VanDerWaalsContact O-CG 3.29Å; C279-L283 WeakPolarHBondContact O-CG 3.27Å; C279-L283 PolarHBondContact O-N 3.42Å; C279-L283 VanDerWaalsContact O-N 3.07Å; L280-L283 PolarHBondContact O-N 3.45Å; E281-L283 VanDerWaalsContact C-N 3.28Å; E281-L283 PolarHBondContact O-N 3.26Å; L283-G287 WeakPolarHBondContact O-CA 3.27Å; L283-G287 PolarHBondContact O-N 3.26Å; L283-V289 HydrophobicContact CD2-CB 3.76Å; L283-V289 HydrophobicContact CD2-CG1 3.7Å; L283-V289 HydrophobicContact CG-CB 3.91Å; L283-V289 HydrophobicContact CG-CG1 4.24Å; L283-V289 HydrophobicContact CG-CG2 4.4Å; L283-V319 HydrophobicContact CD1-CG1 4.16Å; L283-K322 HydrophobicContact CD1-CB 4.32Å; L283-K322 HydrophobicContact CD1-CG 3.95Å; L283-I323 HydrophobicContact CD1-CG1 4.32Å; L283-I323 HydrophobicContact CD2-CD1 4.37Å; L283-I323 HydrophobicContact CD2-CG1 4.09Å
284D90.2Very high93.3Very high73 Ų7312.9 Ų12.939%0.398%0.076SC..Hα-helixtrans-68.8-39.3-179.5-73.7-26.3000112.2L280 E281 K322L280-D284 WeakPolarHBondContact O-CB 3.3Å; L280-D284 VanDerWaalsContact O-CG 3.31Å; L280-D284 PolarHBondContact O-N 3.29Å; E281-D284 PolarHBondContact O-N 3.46Å; D284-K322 VanDerWaalsContact CG-NZ 3.28Å; D284-K322 WeakPolarHBondContact OD1-CE 3.49Å; D284-K322 IonicContact OD1-NZ 2.71Å; D284-K322 PolarHBondContact OD1-NZ 2.92Å; D284-K322 IonicContact OD2-NZ 3.29Å; D284-K322 PolarHBondContact OD2-NZ 2.97Å
285D89.8Confident93.2Very high40 Ų4012.6 Ų12.621%0.2148%0.075CC..Hα-helixtrans-77.5-46.4179.5-16948.9000113A22 S23 Y117 K118 E281A22-D285 HydrophobicContact CB-CB 3.92Å; S23-D285 WeakPolarHBondContact CA-OD1 3.32Å; S23-D285 WeakPolarHBondContact CB-OD1 3.42Å; S23-D285 PolarHBondContact N-OD1 2.79Å; S23-D285 VanDerWaalsContact N-OD1 3.14Å; Y117-D285 HydrophobicContact CE1-CB 3.67Å; Y117-D285 VanDerWaalsContact CE1-OD2 3.3Å; Y117-D285 WeakPolarHBondContact CE1-OD2 3.31Å; Y117-D285 PolarHBondContact OH-OD2 3.21Å; K118-D285 IonicContact NZ-OD1 3.7Å; K118-D285 IonicContact NZ-OD2 2.81Å; K118-D285 PolarHBondContact NZ-OD2 3.38Å; E281-D285 PolarHBondContact O-N 3.25Å
286S87.6Confident93Very high18 Ų1817.7 Ų17.713%0.1269%0.094CC..Hα-helixtrans-121.5-10.5-163.274.90000115M282 C288M282-S286 PolarHBondContact O-N 3.16Å; M282-S286 PolarHBondContact O-OG 3.4Å; S286-C288 PolarHBondContact O-N 2.68Å; S286-C288 WeakPolarHBondContact OG-CB 3.22Å; S286-C288 PolarHBondContact OG-N 2.84Å
287G88.6Confident92.9Very high11 Ų1120 Ų2011%0.11310%0.103CC..SBendtrans62.222.8-171.800000113.3I40 L283I40-G287 WeakPolarHBondContact CD1-O 3.47Å; I40-G287 VanDerWaalsContact CG1-O 3.23Å; I40-G287 WeakPolarHBondContact CG1-O 3.44Å; I40-G287 PolarHBondContact N-O 3.03Å; I40-G287 VanDerWaalsContact N-O 3.15Å; L283-G287 WeakPolarHBondContact O-CA 3.27Å; L283-G287 PolarHBondContact O-N 3.26Å
288C90Very high92.9Very high15 Ų1519.9 Ų19.910%0.10110%0.103CC..EExtended strand (participates in β ladder)trans-127.7143.9-179.8-630000110.6A37 A38 M282 S286A37-C288 HydrophobicContact CB-CB 3.4Å; A37-C288 VanDerWaalsContact CB-CB 3.4Å; A38-C288 CarbonylContact O-C 3.58Å; A38-C288 VanDerWaalsContact O-CA 3.24Å; A38-C288 WeakPolarHBondContact O-CA 3.4Å; M282-C288 CarbonylContact C-O 3.55Å; M282-C288 WeakPolarHBondContact CB-O 3.35Å; S286-C288 PolarHBondContact O-N 2.68Å; S286-C288 WeakPolarHBondContact OG-CB 3.22Å; S286-C288 PolarHBondContact OG-N 2.84Å
289V92.2Very high92.8Very high0 Ų020.5 Ų20.50%011%0.105CC..EExtended strand (participates in β ladder)trans-150.6148.7175.568.80000110.9A38 F43 C279 L283 V291 I294 V319A38-V289 PolarHBondContact N-O 3.45Å; A38-V289 PolarHBondContact O-N 2.96Å; F43-V289 HydrophobicContact CD1-CG1 4.47Å; F43-V289 HydrophobicContact CD2-CG1 3.96Å; F43-V289 HydrophobicContact CE2-CG1 4.21Å; F43-V289 HydrophobicContact CG-CG1 4.09Å; C279-V289 HydrophobicContact CB-CG2 3.92Å; L283-V289 HydrophobicContact CD2-CB 3.76Å; L283-V289 HydrophobicContact CD2-CG1 3.7Å; L283-V289 HydrophobicContact CG-CB 3.91Å; L283-V289 HydrophobicContact CG-CG1 4.24Å; L283-V289 HydrophobicContact CG-CG2 4.4Å; V289-V291 HydrophobicContact CG2-CG2 4.33Å; V289-I294 HydrophobicContact CG2-CD1 4.14Å; V289-V319 HydrophobicContact CG1-CG1 3.88Å; V289-V319 HydrophobicContact CG2-CG1 4.45Å; V289-V319 HydrophobicContact CG2-CG2 4.47Å
290N91.8Very high92.8Very high51 Ų5124.6 Ų24.627%0.27313%0.127SC..  trans-147.286172.2-176.4-11.1000110.1S36 V292 S293 I294S36-N290 WeakPolarHBondContact O-CB 3.44Å; S36-N290 PolarHBondContact O-ND2 3.06Å; N290-V292 VanDerWaalsContact C-N 3.27Å; N290-V292 PolarHBondContact O-N 3.04Å; N290-S293 VanDerWaalsContact CG-CB 3.44Å; N290-S293 WeakPolarHBondContact ND2-CB 3.42Å; N290-S293 PolarHBondContact O-N 2.71Å; N290-S293 VanDerWaalsContact O-N 3.08Å; N290-S293 PolarHBondContact OD1-N 3.42Å; N290-S293 VanDerWaalsContact OD1-N 3.16Å; N290-I294 VanDerWaalsContact O-CG1 3.24Å; N290-I294 WeakPolarHBondContact O-CG1 3.43Å; N290-I294 PolarHBondContact O-N 3.12Å
291V94.3Very high92.8Very high0 Ų025.5 Ų25.50%013%0.131CC..Hα-helixtrans-54-41.3-174-178.30000112.2F43 L275 V289 I294 L295 F312 I315 Y316 V319F43-V291 HydrophobicContact CE2-CG2 4.18Å; F43-V291 HydrophobicContact CZ-CG2 4.4Å; L275-V291 HydrophobicContact CD2-CG1 4.1Å; V289-V291 HydrophobicContact CG2-CG2 4.33Å; V291-I294 PolarHBondContact O-N 2.91Å; V291-L295 WeakPolarHBondContact O-CB 3.45Å; V291-L295 PolarHBondContact O-N 3.47Å; V291-F312 HydrophobicContact CG1-CE2 4.16Å; V291-I315 HydrophobicContact CG1-CB 4.49Å; V291-I315 HydrophobicContact CG1-CG2 3.91Å; V291-Y316 HydrophobicContact CB-CD2 4.22Å; V291-Y316 HydrophobicContact CB-CE1 4.19Å; V291-Y316 HydrophobicContact CB-CE2 3.63Å; V291-Y316 HydrophobicContact CG1-CD2 3.86Å; V291-Y316 HydrophobicContact CG1-CE2 3.49Å; V291-Y316 VanDerWaalsContact CG1-CE2 3.49Å; V291-Y316 HydrophobicContact CG2-CD1 4.43Å; V291-Y316 HydrophobicContact CG2-CD2 4.48Å; V291-Y316 HydrophobicContact CG2-CE1 4.24Å; V291-Y316 HydrophobicContact CG2-CE2 4.27Å; V291-V319 HydrophobicContact CG2-CG2 4.04Å
292V93.1Very high92.9Very high5 Ų525.4 Ų25.43%0.0313%0.13CC..Hα-helixtrans-63.6-47.9177.7178.90000111.7Q58 M62 N290 I294 L295 R296 F312 Y316Q58-V292 HydrophobicContact CB-CG2 4.4Å; M62-V292 HydrophobicContact CE-CG1 4.43Å; M62-V292 HydrophobicContact SD-CG1 3.91Å; N290-V292 VanDerWaalsContact C-N 3.27Å; N290-V292 PolarHBondContact O-N 3.04Å; V292-I294 VanDerWaalsContact C-N 3.3Å; V292-I294 PolarHBondContact O-N 2.79Å; V292-L295 PolarHBondContact O-N 3.12Å; V292-R296 WeakPolarHBondContact O-CG 3.09Å; V292-R296 PolarHBondContact O-N 2.98Å; V292-F312 HydrophobicContact CG2-CZ 4.04Å; V292-Y316 WeakPolarHBondContact CG2-OH 3Å
293S92.6Very high92.9Very high27 Ų2726.8 Ų26.819%0.18914%0.136CC..Hα-helixtrans-65-37.4179.9-176.10000112N290 K297N290-S293 VanDerWaalsContact CG-CB 3.44Å; N290-S293 WeakPolarHBondContact ND2-CB 3.42Å; N290-S293 PolarHBondContact O-N 2.71Å; N290-S293 VanDerWaalsContact O-N 3.08Å; N290-S293 PolarHBondContact OD1-N 3.42Å; N290-S293 VanDerWaalsContact OD1-N 3.16Å; S293-K297 WeakPolarHBondContact O-CG 3.4Å; S293-K297 PolarHBondContact O-N 2.9Å
294I95.2Very high93Very high1 Ų128.7 Ų28.71%0.00514%0.144CC..Hα-helixtrans-67.2-45.9177.4-59.7163.6000108.7F32 L275 I278 C279 M282 V289 N290 V291 V292 R296 K297 V298F32-I294 HydrophobicContact CD1-CB 4.43Å; F32-I294 HydrophobicContact CD1-CG1 4.45Å; F32-I294 HydrophobicContact CD1-CG2 3.79Å; F32-I294 HydrophobicContact CE1-CB 4.22Å; F32-I294 HydrophobicContact CE1-CG2 3.49Å; F32-I294 VanDerWaalsContact CE1-CG2 3.49Å; F32-I294 WeakPolarHBondContact CE1-O 3.34Å; F32-I294 HydrophobicContact CZ-CG2 4.41Å; L275-I294 HydrophobicContact CD1-CB 4.01Å; L275-I294 HydrophobicContact CD1-CG2 3.31Å; L275-I294 HydrophobicContact CG-CG2 4.22Å; I278-I294 HydrophobicContact CB-CG2 4.27Å; I278-I294 HydrophobicContact CD1-CG2 4.46Å; I278-I294 HydrophobicContact CG2-CD1 4.47Å; I278-I294 HydrophobicContact CG2-CG2 3.7Å; C279-I294 VanDerWaalsContact SG-CD1 3.54Å; M282-I294 HydrophobicContact SD-CD1 3.54Å; M282-I294 VanDerWaalsContact SD-CD1 3.54Å; M282-I294 HydrophobicContact SD-CG1 3.98Å; V289-I294 HydrophobicContact CG2-CD1 4.14Å; N290-I294 VanDerWaalsContact O-CG1 3.24Å; N290-I294 WeakPolarHBondContact O-CG1 3.43Å; N290-I294 PolarHBondContact O-N 3.12Å; V291-I294 PolarHBondContact O-N 2.91Å; V292-I294 VanDerWaalsContact C-N 3.3Å; V292-I294 PolarHBondContact O-N 2.79Å; I294-R296 VanDerWaalsContact C-N 3.34Å; I294-R296 PolarHBondContact O-N 3Å; I294-K297 PolarHBondContact O-N 3.25Å; I294-K297 VanDerWaalsContact O-N 3.13Å; I294-V298 HydrophobicContact CG2-CG2 4.42Å; I294-V298 WeakPolarHBondContact O-CG2 3.44Å; I294-V298 PolarHBondContact O-N 3.12Å
295L96.1Very high93.3Very high1 Ų125.2 Ų25.21%0.00513%0.126CC..Hα-helixtrans-59.9-43.5178.8-178.252.7000112.1F59 M62 L275 V291 V292 K297 V298 R299 A305 V306 F312F59-L295 HydrophobicContact CD2-CD2 4.31Å; F59-L295 HydrophobicContact CE2-CD2 4.4Å; M62-L295 HydrophobicContact CE-CD2 3.64Å; M62-L295 HydrophobicContact CE-CG 4.34Å; M62-L295 HydrophobicContact SD-CB 4.46Å; M62-L295 HydrophobicContact SD-CD2 4.25Å; M62-L295 HydrophobicContact SD-CG 4.31Å; L275-L295 HydrophobicContact CD1-CB 4.34Å; L275-L295 HydrophobicContact CD2-CB 3.96Å; L275-L295 HydrophobicContact CD2-CD1 4.12Å; L275-L295 HydrophobicContact CD2-CG 4.48Å; V291-L295 WeakPolarHBondContact O-CB 3.45Å; V291-L295 PolarHBondContact O-N 3.47Å; V292-L295 PolarHBondContact O-N 3.12Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 3.28Å; L295-V298 PolarHBondContact O-N 2.58Å; L295-R299 HydrophobicContact CD1-CG 3.92Å; L295-R299 HydrophobicContact CG-CG 4.31Å; L295-R299 WeakPolarHBondContact O-CB 3.35Å; L295-R299 WeakPolarHBondContact O-CG 3.4Å; L295-R299 PolarHBondContact O-N 3.48Å; L295-A305 HydrophobicContact CD1-CB 4.43Å; L295-A305 WeakPolarHBondContact CD1-O 3.5Å; L295-V306 HydrophobicContact CD1-CB 3.93Å; L295-V306 HydrophobicContact CD1-CG2 3.54Å; L295-V306 HydrophobicContact CD2-CB 4.19Å; L295-V306 HydrophobicContact CD2-CG2 4.33Å; L295-F312 HydrophobicContact CD2-CD2 3.54Å; L295-F312 HydrophobicContact CD2-CE2 3.56Å
296R94.2Very high93.5Very high107 Ų10723.3 Ų23.340%0.40412%0.116SC..Hα-helixtrans-56.6-44175.9-73.6175.2176.8174-6.3111.9D61 M62 V292 I294 R299 L300D61-R296 IonicContact OD2-NH2 2.75Å; D61-R296 PolarHBondContact OD2-NH2 3.01Å; M62-R296 HydrophobicContact CG-CG 4.1Å; M62-R296 HydrophobicContact SD-CG 3.58Å; M62-R296 VanDerWaalsContact SD-CG 3.58Å; V292-R296 WeakPolarHBondContact O-CG 3.09Å; V292-R296 PolarHBondContact O-N 2.98Å; I294-R296 VanDerWaalsContact C-N 3.34Å; I294-R296 PolarHBondContact O-N 3Å; R296-R299 PolarHBondContact O-N 2.95Å; R296-L300 WeakPolarHBondContact O-CG 3.37Å; R296-L300 PolarHBondContact O-N 2.87Å; R296-L300 VanDerWaalsContact O-N 3.09Å
297K94.4Very high93.6Very high48 Ų4825.3 Ų25.321%0.20913%0.133CC..Hα-helixtrans-67.7-43.1177.8-71.6172.5176.3-173.20112.3V31 F32 S36 S293 I294 L295 R299 L300 Q301V31-K297 HydrophobicContact CB-CD 4.34Å; V31-K297 HydrophobicContact CG2-CB 4Å; V31-K297 HydrophobicContact CG2-CD 4.32Å; V31-K297 HydrophobicContact CG2-CG 4.46Å; V31-K297 WeakPolarHBondContact O-CD 3.39Å; V31-K297 WeakPolarHBondContact O-CE 3.42Å; V31-K297 PolarHBondContact O-NZ 2.83Å; F32-K297 HydrophobicContact CD1-CB 4.26Å; F32-K297 HydrophobicContact CD1-CD 4.03Å; F32-K297 HydrophobicContact CE1-CB 3.43Å; F32-K297 VanDerWaalsContact CE1-CB 3.43Å; F32-K297 HydrophobicContact CE1-CD 4.03Å; F32-K297 HydrophobicContact CE1-CG 4.39Å; F32-K297 HydrophobicContact CZ-CB 3.78Å; S36-K297 PolarHBondContact OG-NZ 3.26Å; S293-K297 WeakPolarHBondContact O-CG 3.4Å; S293-K297 PolarHBondContact O-N 2.9Å; I294-K297 PolarHBondContact O-N 3.25Å; I294-K297 VanDerWaalsContact O-N 3.13Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 3.28Å; K297-R299 VanDerWaalsContact C-N 3.28Å; K297-R299 PolarHBondContact O-N 3.06Å; K297-L300 PolarHBondContact O-N 3.32Å; K297-Q301 PolarHBondContact O-N 3.04Å
298V96Very high93.7Very high2 Ų226.7 Ų26.71%0.01214%0.138CC..Hα-helixtrans-59.9-42.5173.4174.60000110.2F32 V114 L275 I278 I294 L295 L300 Q301 R302 A305F32-V298 HydrophobicContact CE1-CG2 4.02Å; F32-V298 HydrophobicContact CE2-CG2 4.37Å; F32-V298 HydrophobicContact CZ-CB 4.43Å; F32-V298 HydrophobicContact CZ-CG2 3.45Å; F32-V298 VanDerWaalsContact CZ-CG2 3.45Å; V114-V298 HydrophobicContact CG1-CG1 4.12Å; V114-V298 HydrophobicContact CG1-CG2 4.29Å; L275-V298 HydrophobicContact CD1-CB 4.25Å; L275-V298 HydrophobicContact CD1-CG2 3.54Å; I278-V298 HydrophobicContact CD1-CG2 4.15Å; I294-V298 HydrophobicContact CG2-CG2 4.42Å; I294-V298 WeakPolarHBondContact O-CG2 3.44Å; I294-V298 PolarHBondContact O-N 3.12Å; L295-V298 PolarHBondContact O-N 2.58Å; V298-L300 VanDerWaalsContact C-N 3.3Å; V298-L300 PolarHBondContact O-N 3.07Å; V298-Q301 CarbonylContact O-C 3.56Å; V298-Q301 PolarHBondContact O-N 3.36Å; V298-R302 PolarHBondContact O-N 3.04Å; V298-A305 HydrophobicContact CG1-CB 3.58Å
299R95.3Very high93.8Very high13 Ų1328.3 Ų28.35%0.04915%0.148CC..Hα-helixtrans-64.4-32.4179.1-76.3179.382.9107.4-11.5113.1E66 Y93 L295 R296 K297 Q301 R302 R303 A305 V306E66-R299 WeakPolarHBondContact OE1-CB 3.47Å; E66-R299 IonicContact OE1-CZ 3.97Å; E66-R299 IonicContact OE1-NE 3.81Å; E66-R299 PolarHBondContact OE1-NE 2.84Å; E66-R299 IonicContact OE1-NH2 3.6Å; E66-R299 PolarHBondContact OE1-NH2 2.87Å; E66-R299 IonicContact OE2-CZ 2.87Å; E66-R299 IonicContact OE2-NE 2.98Å; E66-R299 PolarHBondContact OE2-NE 3.37Å; E66-R299 IonicContact OE2-NH2 2.61Å; E66-R299 PolarHBondContact OE2-NH2 2.97Å; Y93-R299 VanDerWaalsContact CE2-O 3.26Å; Y93-R299 WeakPolarHBondContact CE2-O 3.32Å; L295-R299 HydrophobicContact CD1-CG 3.92Å; L295-R299 HydrophobicContact CG-CG 4.31Å; L295-R299 WeakPolarHBondContact O-CB 3.35Å; L295-R299 WeakPolarHBondContact O-CG 3.4Å; L295-R299 PolarHBondContact O-N 3.48Å; R296-R299 PolarHBondContact O-N 2.95Å; K297-R299 VanDerWaalsContact C-N 3.28Å; K297-R299 PolarHBondContact O-N 3.06Å; R299-Q301 PolarHBondContact O-N 3.22Å; R299-R302 WeakPolarHBondContact CA-O 3.27Å; R299-R302 CarbonylContact O-C 3.53Å; R299-R303 WeakPolarHBondContact O-CA 3.45Å; R299-R303 PolarHBondContact O-N 3.25Å; R299-A305 HydrophobicContact CG-CB 3.87Å; R299-A305 PolarHBondContact NH1-O 3.06Å; R299-V306 PolarHBondContact NH1-O 2.92Å
300L94.5Very high93.9Very high87 Ų8732.6 Ų32.646%0.45517%0.17SC..Hα-helixtrans-68.4-16.9171.4-69.8172.4000113.9L73 Y93 R296 K297 V298L73-L300 WeakPolarHBondContact CD1-O 3.44Å; Y93-L300 VanDerWaalsContact CD2-O 3.29Å; Y93-L300 WeakPolarHBondContact CD2-O 3.28Å; R296-L300 WeakPolarHBondContact O-CG 3.37Å; R296-L300 PolarHBondContact O-N 2.87Å; R296-L300 VanDerWaalsContact O-N 3.09Å; K297-L300 PolarHBondContact O-N 3.32Å; V298-L300 VanDerWaalsContact C-N 3.3Å; V298-L300 PolarHBondContact O-N 3.07Å
301Q95.7Very high94Very high24 Ų2430.5 Ų30.511%0.11216%0.159CC..Hα-helixtrans-102.7-36.7175.2-61.5-175.3-64.300112S96 S112 V114 D115 K297 V298 R299S96-Q301 VanDerWaalsContact CB-O 3.29Å; S96-Q301 WeakPolarHBondContact CB-O 3.42Å; S96-Q301 PolarHBondContact OG-O 2.89Å; S112-Q301 WeakPolarHBondContact CB-O 3.38Å; V114-Q301 HydrophobicContact CG2-CB 4.4Å; D115-Q301 PolarHBondContact OD1-NE2 3.36Å; D115-Q301 VanDerWaalsContact OD1-NE2 3.08Å; D115-Q301 PolarHBondContact OD2-NE2 3.09Å; K297-Q301 PolarHBondContact O-N 3.04Å; V298-Q301 CarbonylContact O-C 3.56Å; V298-Q301 PolarHBondContact O-N 3.36Å; R299-Q301 PolarHBondContact O-N 3.22Å
302R95.4Very high94Very high4 Ų430.5 Ų30.52%0.01516%0.159CC..SBendtrans-133.595.3177.5-172.673-179.5165.70.5108.9H110 S112 V114 G125 V267 V298 R299 A305H110-R302 PolarHBondContact CE1-NH2 2.93Å; H110-R302 PolarHBondContact ND1-NH1 3.15Å; H110-R302 PolarHBondContact ND1-NH2 3.27Å; S112-R302 WeakPolarHBondContact OG-CD 3.34Å; S112-R302 PolarHBondContact OG-NH1 2.94Å; V114-R302 HydrophobicContact CG2-CB 3.88Å; G125-R302 PolarHBondContact O-NE 3.01Å; G125-R302 PolarHBondContact O-NH1 3.42Å; G125-R302 PolarHBondContact O-NH2 3.45Å; V267-R302 HydrophobicContact CG1-CG 4.31Å; V298-R302 PolarHBondContact O-N 3.04Å; R299-R302 WeakPolarHBondContact CA-O 3.27Å; R299-R302 CarbonylContact O-C 3.53Å; R302-A305 WeakPolarHBondContact O-CB 3.44Å; R302-A305 PolarHBondContact O-N 2.95Å; R302-A305 VanDerWaalsContact O-N 3.15Å
303R93.3Very high94Very high29 Ų2932 Ų3211%0.10917%0.167CC..THydrogen-bonded Turntrans-54.1144.2-177.4-162.1-175.4-176.2-174.8-5.1111.1E66 Y91 Y93 V267 R299 A305E66-R303 PolarHBondContact O-NH2 3.34Å; Y91-R303 VanDerWaalsContact CG-NH1 3.29Å; Y93-R303 HydrophobicContact CD2-CB 4.28Å; Y93-R303 HydrophobicContact CE1-CB 4.45Å; Y93-R303 HydrophobicContact CE1-CG 4.37Å; Y93-R303 HydrophobicContact CE2-CB 3.74Å; Y93-R303 HydrophobicContact CE2-CG 4.07Å; Y93-R303 WeakPolarHBondContact OH-CG 3.47Å; V267-R303 WeakPolarHBondContact CG1-O 3.49Å; R299-R303 WeakPolarHBondContact O-CA 3.45Å; R299-R303 PolarHBondContact O-N 3.25Å; R303-A305 PolarHBondContact O-N 2.96Å
304H93.5Very high94.1Very high46 Ų4630.8 Ų30.821%0.21316%0.158CC..THydrogen-bonded Turntrans64.511.8-178.6-48.8-48000115.6E66 Y91 V306E66-H304 IonicContact OE2-CE1 4Å; E66-H304 IonicContact OE2-CG 3.5Å; E66-H304 IonicContact OE2-ND1 3.23Å; E66-H304 PolarHBondContact OE2-ND1 3.35Å; Y91-H304 AromaticContact CD2-NE2 3.93Å; H304-V306 PolarHBondContact O-N 3.33Å
305A95.2Very high94.1Very high0 Ų030.8 Ų30.80%016%0.158CC..  trans-49.9134.2171.200000111.7V267 A271 L295 V298 R299 R302 R303V267-A305 CarbonylContact O-C 3.54Å; V267-A305 WeakPolarHBondContact O-CA 3.19Å; A271-A305 HydrophobicContact CB-CB 3.63Å; L295-A305 HydrophobicContact CD1-CB 4.43Å; L295-A305 WeakPolarHBondContact CD1-O 3.5Å; V298-A305 HydrophobicContact CG1-CB 3.58Å; R299-A305 HydrophobicContact CG-CB 3.87Å; R299-A305 PolarHBondContact NH1-O 3.06Å; R302-A305 WeakPolarHBondContact O-CB 3.44Å; R302-A305 PolarHBondContact O-N 2.95Å; R302-A305 VanDerWaalsContact O-N 3.15Å; R303-A305 PolarHBondContact O-N 2.96Å
306V94.2Very high94Very high1 Ų131.2 Ų31.21%0.00616%0.16CC..SBendtrans61.599.3-167.1-172.50000110.6F59 V267 L275 L295 R299 H304 Q311 F312 I315F59-V306 HydrophobicContact CE2-CB 4.36Å; F59-V306 HydrophobicContact CE2-CG1 3.94Å; F59-V306 WeakPolarHBondContact CE2-O 3.3Å; F59-V306 WeakPolarHBondContact CZ-O 3.39Å; V267-V306 PolarHBondContact O-N 3.32Å; L275-V306 HydrophobicContact CD2-CG2 4.26Å; L295-V306 HydrophobicContact CD1-CB 3.93Å; L295-V306 HydrophobicContact CD1-CG2 3.54Å; L295-V306 HydrophobicContact CD2-CB 4.19Å; L295-V306 HydrophobicContact CD2-CG2 4.33Å; R299-V306 PolarHBondContact NH1-O 2.92Å; H304-V306 PolarHBondContact O-N 3.33Å; V306-Q311 HydrophobicContact CG1-CB 3.81Å; V306-F312 HydrophobicContact CG1-CB 3.95Å; V306-I315 HydrophobicContact CG1-CD1 4.17Å; V306-I315 HydrophobicContact CG2-CD1 3.69Å
307A89.8Confident93.9Very high59 Ų5930.4 Ų30.449%0.48816%0.159SC..  trans-85.2-20.1-162.900000114.2
308N91Very high93.8Very high41 Ų4128.1 Ų28.122%0.21915%0.149CC..SBendtrans-146.6158.9-176.471.760.1000112.2L310 Q311 F312N308-L310 VanDerWaalsContact C-N 3.28Å; N308-L310 PolarHBondContact O-N 2.94Å; N308-L310 WeakPolarHBondContact OD1-CA 3.47Å; N308-L310 WeakPolarHBondContact OD1-CB 3.32Å; N308-L310 PolarHBondContact OD1-N 2.99Å; N308-Q311 PolarHBondContact ND2-NE2 3.23Å; N308-Q311 PolarHBondContact O-N 3.38Å; N308-Q311 PolarHBondContact OD1-N 3.04Å; N308-F312 PolarHBondContact O-N 3.29Å
309P93.1Very high93.7Very high49 Ų4928 Ų2832%0.31815%0.149SC..Hα-helixtrans-61.9-30.9-17720.4-33.3000113.8L56 F59 F312 L313L56-P309 HydrophobicContact CD2-CB 3.49Å; L56-P309 VanDerWaalsContact CD2-CB 3.49Å; F59-P309 HydrophobicContact CD1-CB 4.08Å; F59-P309 HydrophobicContact CE1-CB 4.37Å; P309-F312 WeakPolarHBondContact O-CB 3.35Å; P309-F312 PolarHBondContact O-N 2.9Å; P309-L313 WeakPolarHBondContact O-CG 3.41Å; P309-L313 PolarHBondContact O-N 2.92Å
310L92.6Very high93.5Very high89 Ų8930 Ų3047%0.46616%0.16SC..Hα-helixtrans-66.1-42.1178.6-63.4178.5000111.4I221 N308 F312 L313 F314I221-L310 HydrophobicContact CG2-CB 4.04Å; I221-L310 WeakPolarHBondContact CG2-O 3.06Å; N308-L310 VanDerWaalsContact C-N 3.28Å; N308-L310 PolarHBondContact O-N 2.94Å; N308-L310 WeakPolarHBondContact OD1-CA 3.47Å; N308-L310 WeakPolarHBondContact OD1-CB 3.32Å; N308-L310 PolarHBondContact OD1-N 2.99Å; L310-F312 VanDerWaalsContact C-N 3.3Å; L310-F312 PolarHBondContact O-N 2.94Å; L310-L313 PolarHBondContact O-N 3.26Å; L310-F314 WeakPolarHBondContact O-CB 3.32Å; L310-F314 PolarHBondContact O-N 2.91Å
311Q93.8Very high93.3Very high7 Ų728.7 Ų28.73%0.03315%0.152CC..Hα-helixtrans-60.5-41.9173.4-72.8173.2-5.200111.3V306 N308 F314 I315V306-Q311 HydrophobicContact CG1-CB 3.81Å; N308-Q311 PolarHBondContact ND2-NE2 3.23Å; N308-Q311 PolarHBondContact O-N 3.38Å; N308-Q311 PolarHBondContact OD1-N 3.04Å; Q311-F314 WeakPolarHBondContact O-CB 3.42Å; Q311-F314 PolarHBondContact O-N 3.41Å; Q311-I315 WeakPolarHBondContact O-CD1 3.4Å; Q311-I315 VanDerWaalsContact O-CG1 3.3Å; Q311-I315 WeakPolarHBondContact O-CG1 3.42Å; Q311-I315 PolarHBondContact O-N 2.9Å; Q311-I315 VanDerWaalsContact O-N 3.13Å
312F95.2Very high93.1Very high0 Ų030 Ų300%016%0.157CC..Hα-helixtrans-61.7-47.4176-177.3-114.7000112.3L55 F59 M62 V291 V292 L295 V306 N308 P309 L310 F314 I315 Y316L55-F312 HydrophobicContact CB-CE1 4.11Å; L55-F312 VanDerWaalsContact O-CE1 3.31Å; L55-F312 WeakPolarHBondContact O-CE1 3.47Å; F59-F312 HydrophobicContact CB-CD1 3.71Å; F59-F312 HydrophobicContact CB-CE1 3.89Å; F59-F312 HydrophobicContact CB-CG 4.2Å; F59-F312 HydrophobicContact CB-CZ 4.5Å; F59-F312 HydrophobicContact CD2-CB 3.59Å; F59-F312 HydrophobicContact CD2-CD1 4Å; F59-F312 AromaticContact CD2-CD2 3.89Å; F59-F312 HydrophobicContact CD2-CD2 3.89Å; F59-F312 HydrophobicContact CD2-CE2 4.48Å; F59-F312 AromaticContact CD2-CG 3.57Å; F59-F312 HydrophobicContact CD2-CG 3.57Å; F59-F312 HydrophobicContact CE2-CB 3.95Å; F59-F312 HydrophobicContact CE2-CG 4.34Å; F59-F312 HydrophobicContact CG-CB 4.2Å; F59-F312 HydrophobicContact CG-CD1 4.15Å; F59-F312 HydrophobicContact CG-CG 4.16Å; M62-F312 HydrophobicContact CE-CE2 3.87Å; M62-F312 HydrophobicContact CE-CZ 3.87Å; V291-F312 HydrophobicContact CG1-CE2 4.16Å; V292-F312 HydrophobicContact CG2-CZ 4.04Å; L295-F312 HydrophobicContact CD2-CD2 3.54Å; L295-F312 HydrophobicContact CD2-CE2 3.56Å; V306-F312 HydrophobicContact CG1-CB 3.95Å; N308-F312 PolarHBondContact O-N 3.29Å; P309-F312 WeakPolarHBondContact O-CB 3.35Å; P309-F312 PolarHBondContact O-N 2.9Å; L310-F312 VanDerWaalsContact C-N 3.3Å; L310-F312 PolarHBondContact O-N 2.94Å; F312-F314 VanDerWaalsContact C-N 3.3Å; F312-F314 PolarHBondContact O-N 3.43Å; F312-I315 PolarHBondContact O-N 3.46Å; F312-Y316 HydrophobicContact CD1-CD2 4.43Å; F312-Y316 HydrophobicContact CD1-CE2 4.3Å; F312-Y316 HydrophobicContact CD2-CE2 4.37Å; F312-Y316 HydrophobicContact CE1-CD2 4.21Å; F312-Y316 AromaticContact CE1-CE2 3.66Å; F312-Y316 HydrophobicContact CE1-CE2 3.66Å; F312-Y316 HydrophobicContact CE2-CD2 4.43Å; F312-Y316 AromaticContact CE2-CE2 3.75Å; F312-Y316 HydrophobicContact CE2-CE2 3.75Å; F312-Y316 HydrophobicContact CZ-CD2 4.26Å; F312-Y316 AromaticContact CZ-CE2 3.41Å; F312-Y316 HydrophobicContact CZ-CE2 3.41Å; F312-Y316 VanDerWaalsContact CZ-CE2 3.41Å; F312-Y316 WeakPolarHBondContact O-CD2 3.44Å; F312-Y316 PolarHBondContact O-N 3.44Å
313L93.3Very high92.8Very high38 Ų3830 Ų3020%0.19916%0.157CC..Hα-helixtrans-62.1-37.4175.5-69.7-178000112.3I52 L55 L56 P309 L310 I315 Y316 F317I52-L313 HydrophobicContact CG2-CD1 3.88Å; I52-L313 HydrophobicContact CG2-CD2 3.84Å; L55-L313 HydrophobicContact CB-CD2 4Å; L55-L313 HydrophobicContact CD1-CD2 3.9Å; L56-L313 HydrophobicContact CD2-CD1 3.86Å; L56-L313 HydrophobicContact CD2-CD2 4.29Å; L56-L313 HydrophobicContact CD2-CG 4.05Å; L56-L313 HydrophobicContact CG-CD1 4.47Å; P309-L313 WeakPolarHBondContact O-CG 3.41Å; P309-L313 PolarHBondContact O-N 2.92Å; L310-L313 PolarHBondContact O-N 3.26Å; L313-I315 VanDerWaalsContact C-N 3.31Å; L313-I315 PolarHBondContact O-N 3.3Å; L313-Y316 WeakPolarHBondContact O-CB 3.42Å; L313-Y316 PolarHBondContact O-N 3.05Å; L313-F317 PolarHBondContact O-N 3.26Å
314F94Very high92.4Very high1 Ų137.2 Ų37.20%0.00418%0.184CC..Hα-helixtrans-60.5-40.7175.9177.6-111.2000112.1W216 I221 P222 P225 I276 L310 Q311 F312 Y316 F317 V318W216-F314 AromaticContact CH2-CD1 3.97Å; W216-F314 HydrophobicContact CH2-CD1 3.97Å; W216-F314 AromaticContact CH2-CE1 3.8Å; W216-F314 HydrophobicContact CH2-CE1 3.8Å; W216-F314 AromaticContact CZ2-CD1 3.89Å; W216-F314 HydrophobicContact CZ2-CD1 3.89Å; W216-F314 HydrophobicContact CZ2-CE1 4.02Å; W216-F314 HydrophobicContact CZ3-CE1 4.27Å; I221-F314 HydrophobicContact CB-CB 3.93Å; I221-F314 HydrophobicContact CB-CD2 3.93Å; I221-F314 HydrophobicContact CB-CG 3.94Å; I221-F314 HydrophobicContact CD1-CB 4.18Å; I221-F314 HydrophobicContact CD1-CD2 4.2Å; I221-F314 HydrophobicContact CG1-CD2 4.47Å; I221-F314 HydrophobicContact CG2-CB 3.66Å; I221-F314 HydrophobicContact CG2-CG 4.16Å; P222-F314 HydrophobicContact CB-CE2 3.94Å; P222-F314 HydrophobicContact CB-CZ 3.75Å; P222-F314 VanDerWaalsContact CD-CZ 3.48Å; P222-F314 HydrophobicContact CG-CE1 3.86Å; P222-F314 HydrophobicContact CG-CE2 4.01Å; P222-F314 HydrophobicContact CG-CZ 3.46Å; P222-F314 VanDerWaalsContact CG-CZ 3.46Å; P225-F314 HydrophobicContact CB-CE2 4.13Å; I276-F314 HydrophobicContact CD1-CD1 4.11Å; I276-F314 HydrophobicContact CD1-CE1 3.78Å; L310-F314 WeakPolarHBondContact O-CB 3.32Å; L310-F314 PolarHBondContact O-N 2.91Å; Q311-F314 WeakPolarHBondContact O-CB 3.42Å; Q311-F314 PolarHBondContact O-N 3.41Å; F312-F314 VanDerWaalsContact C-N 3.3Å; F312-F314 PolarHBondContact O-N 3.43Å; F314-Y316 VanDerWaalsContact C-N 3.33Å; F314-Y316 PolarHBondContact O-N 3.24Å; F314-F317 WeakPolarHBondContact O-CB 3.39Å; F314-F317 PolarHBondContact O-N 2.96Å; F314-F317 VanDerWaalsContact O-N 3.11Å; F314-V318 HydrophobicContact CD1-CG2 4.28Å; F314-V318 HydrophobicContact CD2-CG2 4.26Å; F314-V318 HydrophobicContact CE1-CG2 3.84Å; F314-V318 HydrophobicContact CE2-CG2 3.82Å; F314-V318 HydrophobicContact CG-CG2 4.46Å; F314-V318 HydrophobicContact CZ-CG2 3.58Å; F314-V318 VanDerWaalsContact O-CG2 3.32Å; F314-V318 WeakPolarHBondContact O-CG2 3.49Å; F314-V318 PolarHBondContact O-N 2.92Å
315I95.2Very high91.9Very high0 Ų038.7 Ų38.70%020%0.204CC..Hα-helixtrans-63.1-42177.1-58.5156.9000110.6L275 I276 V291 V306 Q311 F312 L313 F317 V318 V319L275-I315 HydrophobicContact CB-CD1 4.2Å; L275-I315 HydrophobicContact CD2-CD1 3.58Å; L275-I315 HydrophobicContact CD2-CG2 4.05Å; L275-I315 HydrophobicContact CG-CD1 4.43Å; L275-I315 HydrophobicContact CG-CG2 4.41Å; I276-I315 HydrophobicContact CD1-CG1 4.23Å; I276-I315 HydrophobicContact CG1-CB 4.32Å; I276-I315 HydrophobicContact CG1-CG1 3.98Å; I276-I315 HydrophobicContact CG1-CG2 3.99Å; V291-I315 HydrophobicContact CG1-CB 4.49Å; V291-I315 HydrophobicContact CG1-CG2 3.91Å; V306-I315 HydrophobicContact CG1-CD1 4.17Å; V306-I315 HydrophobicContact CG2-CD1 3.69Å; Q311-I315 WeakPolarHBondContact O-CD1 3.4Å; Q311-I315 VanDerWaalsContact O-CG1 3.3Å; Q311-I315 WeakPolarHBondContact O-CG1 3.42Å; Q311-I315 PolarHBondContact O-N 2.9Å; Q311-I315 VanDerWaalsContact O-N 3.13Å; F312-I315 PolarHBondContact O-N 3.46Å; L313-I315 VanDerWaalsContact C-N 3.31Å; L313-I315 PolarHBondContact O-N 3.3Å; I315-F317 VanDerWaalsContact C-N 3.32Å; I315-F317 PolarHBondContact O-N 3.35Å; I315-V318 PolarHBondContact O-N 2.98Å; I315-V319 WeakPolarHBondContact O-CB 3.38Å; I315-V319 WeakPolarHBondContact O-CG2 3.31Å; I315-V319 PolarHBondContact O-N 3.32Å
316Y93.9Very high91Very high10 Ų1039.9 Ų39.94%0.03921%0.213CC..Hα-helixtrans-60.5-41.7172.2-89-91.3000112.6F43 M47 L55 V291 V292 F312 L313 F314 V319 L320F43-Y316 AromaticContact CE2-CD1 3.98Å; F43-Y316 HydrophobicContact CE2-CD1 3.98Å; F43-Y316 AromaticContact CE2-CE1 3.56Å; F43-Y316 HydrophobicContact CE2-CE1 3.56Å; F43-Y316 AromaticContact CZ-CD1 3.54Å; F43-Y316 HydrophobicContact CZ-CD1 3.54Å; F43-Y316 AromaticContact CZ-CE1 3.64Å; F43-Y316 HydrophobicContact CZ-CE1 3.64Å; M47-Y316 HydrophobicContact CE-CD1 3.97Å; M47-Y316 HydrophobicContact SD-CD1 3.61Å; M47-Y316 HydrophobicContact SD-CE1 3.69Å; L55-Y316 HydrophobicContact CD1-CD1 3.7Å; L55-Y316 HydrophobicContact CD1-CD2 3.91Å; L55-Y316 HydrophobicContact CD1-CE1 4.01Å; L55-Y316 HydrophobicContact CD1-CE2 4.2Å; L55-Y316 HydrophobicContact CD1-CG 3.64Å; L55-Y316 HydrophobicContact CD2-CD1 4.21Å; L55-Y316 HydrophobicContact CD2-CE1 3.63Å; L55-Y316 HydrophobicContact CD2-CE2 4.07Å; L55-Y316 HydrophobicContact CG-CE1 4.47Å; V291-Y316 HydrophobicContact CB-CD2 4.22Å; V291-Y316 HydrophobicContact CB-CE1 4.19Å; V291-Y316 HydrophobicContact CB-CE2 3.63Å; V291-Y316 HydrophobicContact CG1-CD2 3.86Å; V291-Y316 HydrophobicContact CG1-CE2 3.49Å; V291-Y316 VanDerWaalsContact CG1-CE2 3.49Å; V291-Y316 HydrophobicContact CG2-CD1 4.43Å; V291-Y316 HydrophobicContact CG2-CD2 4.48Å; V291-Y316 HydrophobicContact CG2-CE1 4.24Å; V291-Y316 HydrophobicContact CG2-CE2 4.27Å; V292-Y316 WeakPolarHBondContact CG2-OH 3Å; F312-Y316 HydrophobicContact CD1-CD2 4.43Å; F312-Y316 HydrophobicContact CD1-CE2 4.3Å; F312-Y316 HydrophobicContact CD2-CE2 4.37Å; F312-Y316 HydrophobicContact CE1-CD2 4.21Å; F312-Y316 AromaticContact CE1-CE2 3.66Å; F312-Y316 HydrophobicContact CE1-CE2 3.66Å; F312-Y316 HydrophobicContact CE2-CD2 4.43Å; F312-Y316 AromaticContact CE2-CE2 3.75Å; F312-Y316 HydrophobicContact CE2-CE2 3.75Å; F312-Y316 HydrophobicContact CZ-CD2 4.26Å; F312-Y316 AromaticContact CZ-CE2 3.41Å; F312-Y316 HydrophobicContact CZ-CE2 3.41Å; F312-Y316 VanDerWaalsContact CZ-CE2 3.41Å; F312-Y316 WeakPolarHBondContact O-CD2 3.44Å; F312-Y316 PolarHBondContact O-N 3.44Å; L313-Y316 WeakPolarHBondContact O-CB 3.42Å; L313-Y316 PolarHBondContact O-N 3.05Å; F314-Y316 VanDerWaalsContact C-N 3.33Å; F314-Y316 PolarHBondContact O-N 3.24Å; Y316-V319 PolarHBondContact O-N 2.96Å; Y316-L320 WeakPolarHBondContact O-CB 3.37Å; Y316-L320 VanDerWaalsContact O-CG 3.32Å; Y316-L320 WeakPolarHBondContact O-CG 3.42Å; Y316-L320 PolarHBondContact O-N 3.49Å
317F91.7Very high89.6Confident91 Ų9148.5 Ų48.540%0.39925%0.25SS..Hα-helixtrans-63.5-44.5179.3-174.3-131.9000111.8P225 L313 F314 I315 L320 H321P225-F317 HydrophobicContact CB-CD1 3.83Å; P225-F317 HydrophobicContact CB-CE1 3.87Å; P225-F317 HydrophobicContact CG-CD1 3.83Å; P225-F317 HydrophobicContact CG-CE1 3.33Å; P225-F317 HydrophobicContact CG-CZ 3.94Å; L313-F317 PolarHBondContact O-N 3.26Å; F314-F317 WeakPolarHBondContact O-CB 3.39Å; F314-F317 PolarHBondContact O-N 2.96Å; F314-F317 VanDerWaalsContact O-N 3.11Å; I315-F317 VanDerWaalsContact C-N 3.32Å; I315-F317 PolarHBondContact O-N 3.35Å; F317-L320 PolarHBondContact O-N 3.22Å; F317-H321 AromaticContact CD2-CD2 3.75Å; F317-H321 AromaticContact CE1-NE2 3.94Å; F317-H321 AromaticContact CE2-CD2 3.39Å; F317-H321 WeakPolarHBondContact CE2-CD2 3.44Å; F317-H321 AromaticContact CE2-NE2 3.25Å; F317-H321 WeakPolarHBondContact CE2-NE2 3.34Å; F317-H321 AromaticContact CZ-CD2 3.59Å; F317-H321 AromaticContact CZ-NE2 3.15Å; F317-H321 WeakPolarHBondContact CZ-NE2 3.38Å; F317-H321 PolarHBondContact O-CD2 3.49Å; F317-H321 PolarHBondContact O-N 2.9Å
318V93.9Very high88.2Confident0 Ų051 Ų510%025%0.25CS..Hα-helixtrans-59.9-46.4173.9171.90000111.2P225 I228 F229 I276 L280 F314 I315 L320 H321 K322P225-V318 HydrophobicContact CB-CG2 4.03Å; I228-V318 HydrophobicContact CG2-CB 4.39Å; I228-V318 HydrophobicContact CG2-CG1 3.54Å; I228-V318 HydrophobicContact CG2-CG2 3.85Å; F229-V318 HydrophobicContact CD1-CG1 4.31Å; F229-V318 HydrophobicContact CE1-CG1 3.49Å; F229-V318 VanDerWaalsContact CE1-CG1 3.49Å; F229-V318 HydrophobicContact CZ-CG1 4.14Å; F229-V318 WeakPolarHBondContact CZ-O 3.3Å; I276-V318 HydrophobicContact CD1-CG1 4.47Å; I276-V318 HydrophobicContact CD1-CG2 4.21Å; I276-V318 HydrophobicContact CG1-CG1 4.27Å; I276-V318 HydrophobicContact CG2-CG1 3.78Å; L280-V318 HydrophobicContact CD2-CG1 4.43Å; F314-V318 HydrophobicContact CD1-CG2 4.28Å; F314-V318 HydrophobicContact CD2-CG2 4.26Å; F314-V318 HydrophobicContact CE1-CG2 3.84Å; F314-V318 HydrophobicContact CE2-CG2 3.82Å; F314-V318 HydrophobicContact CG-CG2 4.46Å; F314-V318 HydrophobicContact CZ-CG2 3.58Å; F314-V318 VanDerWaalsContact O-CG2 3.32Å; F314-V318 WeakPolarHBondContact O-CG2 3.49Å; F314-V318 PolarHBondContact O-N 2.92Å; I315-V318 PolarHBondContact O-N 2.98Å; V318-L320 PolarHBondContact O-N 3.02Å; V318-H321 PolarHBondContact O-N 3.11Å; V318-K322 PolarHBondContact O-N 3.38Å
319V93.3Very high86.7Confident0 Ų051.9 Ų51.90%025%0.252CS..Hα-helixtrans-60.1-44.8176.4162.50000111.8F43 C279 L283 V289 V291 I315 Y316 K322 I323F43-V319 HydrophobicContact CD1-CG1 4.49Å; F43-V319 HydrophobicContact CE1-CG1 3.66Å; F43-V319 HydrophobicContact CE2-CG1 4.43Å; F43-V319 HydrophobicContact CZ-CG1 3.62Å; C279-V319 HydrophobicContact CB-CG2 3.71Å; L283-V319 HydrophobicContact CD1-CG1 4.16Å; V289-V319 HydrophobicContact CG1-CG1 3.88Å; V289-V319 HydrophobicContact CG2-CG1 4.45Å; V289-V319 HydrophobicContact CG2-CG2 4.47Å; V291-V319 HydrophobicContact CG2-CG2 4.04Å; I315-V319 WeakPolarHBondContact O-CB 3.38Å; I315-V319 WeakPolarHBondContact O-CG2 3.31Å; I315-V319 PolarHBondContact O-N 3.32Å; Y316-V319 PolarHBondContact O-N 2.96Å; V319-K322 PolarHBondContact O-N 3.01Å; V319-I323 HydrophobicContact CG1-CD1 3.88Å; V319-I323 VanDerWaalsContact O-CG1 3.28Å; V319-I323 WeakPolarHBondContact O-CG1 3.42Å; V319-I323 PolarHBondContact O-N 3.34Å
320L90.7Very high85.1Confident54 Ų5455.4 Ų55.428%0.28326%0.264SS..Hα-helixtrans-63.9-40.2177.2-73.9168.9000112F43 V44 M47 Y316 F317 V318 I323 R324F43-L320 HydrophobicContact CD1-CD2 4.37Å; F43-L320 HydrophobicContact CE1-CD2 3.77Å; F43-L320 HydrophobicContact CE1-CG 4.17Å; V44-L320 HydrophobicContact CG2-CD2 4.48Å; M47-L320 HydrophobicContact CE-CD1 4.07Å; Y316-L320 WeakPolarHBondContact O-CB 3.37Å; Y316-L320 VanDerWaalsContact O-CG 3.32Å; Y316-L320 WeakPolarHBondContact O-CG 3.42Å; Y316-L320 PolarHBondContact O-N 3.49Å; F317-L320 PolarHBondContact O-N 3.22Å; V318-L320 PolarHBondContact O-N 3.02Å; L320-I323 PolarHBondContact O-N 3.38Å; L320-R324 WeakPolarHBondContact O-CB 3.47Å; L320-R324 PolarHBondContact O-N 3.37Å
321H91Very high83.4Confident60 Ų6054 Ų5428%0.27827%0.265SS..Hα-helixtrans-61-45.6174-96.9-95.3000111.9F229 F317 V318 I323 R324 A325F229-H321 HydrophobicContact CE2-CB 4.05Å; F229-H321 HydrophobicContact CZ-CB 3.79Å; F317-H321 AromaticContact CD2-CD2 3.75Å; F317-H321 AromaticContact CE1-NE2 3.94Å; F317-H321 AromaticContact CE2-CD2 3.39Å; F317-H321 WeakPolarHBondContact CE2-CD2 3.44Å; F317-H321 AromaticContact CE2-NE2 3.25Å; F317-H321 WeakPolarHBondContact CE2-NE2 3.34Å; F317-H321 AromaticContact CZ-CD2 3.59Å; F317-H321 AromaticContact CZ-NE2 3.15Å; F317-H321 WeakPolarHBondContact CZ-NE2 3.38Å; F317-H321 PolarHBondContact O-CD2 3.49Å; F317-H321 PolarHBondContact O-N 2.9Å; V318-H321 PolarHBondContact O-N 3.11Å; H321-I323 VanDerWaalsContact C-N 3.34Å; H321-I323 PolarHBondContact O-N 3.43Å; H321-R324 PolarHBondContact O-N 2.88Å; H321-A325 PolarHBondContact O-N 2.89Å
322K91Very high81.5Confident50 Ų5059.5 Ų59.522%0.21729%0.289CS..Hα-helixtrans-60.6-43.3175.9177.669.4173.8-165.50111.5F229 L280 L283 D284 V318 V319 A325 S326F229-K322 HydrophobicContact CE1-CB 3.96Å; F229-K322 HydrophobicContact CZ-CB 3.88Å; L280-K322 HydrophobicContact CD2-CB 3.6Å; L280-K322 HydrophobicContact CD2-CD 3.98Å; L280-K322 HydrophobicContact CD2-CG 3.57Å; L283-K322 HydrophobicContact CD1-CB 4.32Å; L283-K322 HydrophobicContact CD1-CG 3.95Å; D284-K322 VanDerWaalsContact CG-NZ 3.28Å; D284-K322 WeakPolarHBondContact OD1-CE 3.49Å; D284-K322 IonicContact OD1-NZ 2.71Å; D284-K322 PolarHBondContact OD1-NZ 2.92Å; D284-K322 IonicContact OD2-NZ 3.29Å; D284-K322 PolarHBondContact OD2-NZ 2.97Å; V318-K322 PolarHBondContact O-N 3.38Å; V319-K322 PolarHBondContact O-N 3.01Å; K322-A325 PolarHBondContact O-N 3.46Å; K322-S326 WeakPolarHBondContact O-CB 3.15Å; K322-S326 PolarHBondContact O-N 3.16Å
323I89Confident79.6Confident5 Ų563.7 Ų63.73%0.02632%0.315CS..Hα-helixtrans-60.9-46.4177-72.2169000110.8I40 F43 V44 L283 V319 L320 H321 A325 S326 F329I40-I323 HydrophobicContact CG1-CD1 4.25Å; I40-I323 HydrophobicContact CG1-CG1 4.11Å; I40-I323 HydrophobicContact CG2-CD1 4.26Å; I40-I323 HydrophobicContact CG2-CG1 4.25Å; I40-I323 HydrophobicContact CG2-CG2 3.51Å; F43-I323 HydrophobicContact CD1-CD1 3.69Å; F43-I323 HydrophobicContact CE1-CD1 3.94Å; V44-I323 HydrophobicContact CG2-CD1 4.48Å; V44-I323 HydrophobicContact CG2-CG2 4.12Å; L283-I323 HydrophobicContact CD1-CG1 4.32Å; L283-I323 HydrophobicContact CD2-CD1 4.37Å; L283-I323 HydrophobicContact CD2-CG1 4.09Å; V319-I323 HydrophobicContact CG1-CD1 3.88Å; V319-I323 VanDerWaalsContact O-CG1 3.28Å; V319-I323 WeakPolarHBondContact O-CG1 3.42Å; V319-I323 PolarHBondContact O-N 3.34Å; L320-I323 PolarHBondContact O-N 3.38Å; H321-I323 VanDerWaalsContact C-N 3.34Å; H321-I323 PolarHBondContact O-N 3.43Å; I323-A325 VanDerWaalsContact C-N 3.3Å; I323-A325 PolarHBondContact O-N 2.86Å; I323-S326 WeakPolarHBondContact O-CB 3.25Å; I323-S326 PolarHBondContact O-N 3.29Å; I323-S326 VanDerWaalsContact O-N 3.15Å; I323-F329 HydrophobicContact CG2-CD2 4.17Å; I323-F329 WeakPolarHBondContact O-CB 3.29Å
324R85.8Confident77.7Confident180 Ų18066.6 Ų66.668%0.67934%0.338SS*.Hα-helixtrans-61.5-38.4178.3179.3-178.1161.394.70.9112.1L320 H321 S326L320-R324 WeakPolarHBondContact O-CB 3.47Å; L320-R324 PolarHBondContact O-N 3.37Å; H321-R324 PolarHBondContact O-N 2.88Å; R324-S326 VanDerWaalsContact C-N 3.31Å
325A82.7Confident75.2Confident77 Ų7779.9 Ų79.964%0.63639%0.388SS*.Hα-helixtrans-76-17.5177.600000113.5H321 K322 I323H321-A325 PolarHBondContact O-N 2.89Å; K322-A325 PolarHBondContact O-N 3.46Å; I323-A325 VanDerWaalsContact C-N 3.3Å; I323-A325 PolarHBondContact O-N 2.86Å
326S76.7Confident74.2Confident25 Ų2583.9 Ų83.918%0.17541%0.408CS..SBendtrans-76.8140.1-177.1-175.70000112.3K322 I323 R324 F328 F329K322-S326 WeakPolarHBondContact O-CB 3.15Å; K322-S326 PolarHBondContact O-N 3.16Å; I323-S326 WeakPolarHBondContact O-CB 3.25Å; I323-S326 PolarHBondContact O-N 3.29Å; I323-S326 VanDerWaalsContact O-N 3.15Å; R324-S326 VanDerWaalsContact C-N 3.31Å; S326-F328 PolarHBondContact O-N 2.95Å; S326-F328 VanDerWaalsContact OG-CD2 3.27Å; S326-F328 WeakPolarHBondContact OG-CD2 3.39Å; S326-F328 PolarHBondContact OG-N 2.63Å; S326-F329 PolarHBondContact O-N 3.44Å
327K64.8Low73.2Confident183 Ų18387.7 Ų87.780%0.79643%0.427SS*.Hα-helixtrans-52.8-27.9171.6-64.3-174.9-178.9-179.40112.5F329 H330 A331K327-F329 VanDerWaalsContact C-N 3.27Å; K327-F329 PolarHBondContact O-N 2.99Å; K327-H330 PolarHBondContact O-N 2.9Å; K327-A331 PolarHBondContact O-N 3.18Å
328F59.6Low72.1Confident111 Ų11187.6 Ų87.649%0.48743%0.428SS..Hα-helixtrans-60.3-33.4178.8-74.3-66.9000113.6I40 S326I40-F328 HydrophobicContact CD1-CB 4.2Å; I40-F328 HydrophobicContact CD1-CD2 4.46Å; S326-F328 PolarHBondContact O-N 2.95Å; S326-F328 VanDerWaalsContact OG-CD2 3.27Å; S326-F328 WeakPolarHBondContact OG-CD2 3.39Å; S326-F328 PolarHBondContact OG-N 2.63Å
329F58.6Low70.8Confident60 Ų6092.7 Ų92.726%0.26345%0.454SS..Hα-helixtrans-73.3-45176.4-168.5-100.5000110.4I323 S326 K327 A331 K332 V333I323-F329 HydrophobicContact CG2-CD2 4.17Å; I323-F329 WeakPolarHBondContact O-CB 3.29Å; S326-F329 PolarHBondContact O-N 3.44Å; K327-F329 VanDerWaalsContact C-N 3.27Å; K327-F329 PolarHBondContact O-N 2.99Å; F329-A331 PolarHBondContact O-N 3.44Å; F329-K332 PolarHBondContact O-N 3.29Å; F329-V333 HydrophobicContact CD1-CG2 4Å; F329-V333 HydrophobicContact CD2-CG2 4.1Å; F329-V333 HydrophobicContact CE1-CG2 3.75Å; F329-V333 HydrophobicContact CE2-CG2 3.86Å; F329-V333 HydrophobicContact CG-CG2 4.17Å; F329-V333 HydrophobicContact CZ-CG2 3.68Å; F329-V333 WeakPolarHBondContact O-CB 3.36Å; F329-V333 VanDerWaalsContact O-CG2 3.29Å; F329-V333 WeakPolarHBondContact O-CG2 3.07Å; F329-V333 PolarHBondContact O-N 3.21Å
330H59.7Low69.4Low122 Ų12298.5 Ų98.557%0.56548%0.482SS*.Hα-helixtrans-63.8-38.2179.5-68.8-68.7000113.4K327 K332 S334K327-H330 PolarHBondContact O-N 2.9Å; H330-K332 VanDerWaalsContact C-N 3.33Å; H330-K332 PolarHBondContact O-N 3.42Å; H330-S334 WeakPolarHBondContact O-CB 3.4Å; H330-S334 PolarHBondContact O-N 2.73Å; H330-S334 PolarHBondContact O-OG 3.46Å
331A56.9Low68Low60 Ų60101.5 Ų101.550%0.49650%0.495SS..Hα-helixtrans-73.7-19.1179.700000114.4K327 F329K327-A331 PolarHBondContact O-N 3.18Å; F329-A331 PolarHBondContact O-N 3.44Å
332K54.7Low66.4Low122 Ų122104.4 Ų104.453%0.5351%0.511SS..Hα-helixtrans-109.8-15.8-177.8-69.6-165.6-177.1-179.60114.6L41 F329 H330L41-K332 HydrophobicContact CD1-CD 3.63Å; L41-K332 HydrophobicContact CG-CD 4.15Å; F329-K332 PolarHBondContact O-N 3.29Å; H330-K332 VanDerWaalsContact C-N 3.33Å; H330-K332 PolarHBondContact O-N 3.42Å
333V55.9Low64.5Low89 Ų89108.6 Ų108.654%0.53953%0.533SS..Hα-helixtrans-88.2-16.8171.2177.20000111.4F329 R335F329-V333 HydrophobicContact CD1-CG2 4Å; F329-V333 HydrophobicContact CD2-CG2 4.1Å; F329-V333 HydrophobicContact CE1-CG2 3.75Å; F329-V333 HydrophobicContact CE2-CG2 3.86Å; F329-V333 HydrophobicContact CG-CG2 4.17Å; F329-V333 HydrophobicContact CZ-CG2 3.68Å; F329-V333 WeakPolarHBondContact O-CB 3.36Å; F329-V333 VanDerWaalsContact O-CG2 3.29Å; F329-V333 WeakPolarHBondContact O-CG2 3.07Å; F329-V333 PolarHBondContact O-N 3.21Å; V333-R335 VanDerWaalsContact C-N 3.3Å
334S52.4Low62.5Low98 Ų98117.3 Ų117.369%0.68558%0.576SS**  trans-86.47.7172.751.60000114.2H330H330-S334 WeakPolarHBondContact O-CB 3.4Å; H330-S334 PolarHBondContact O-N 2.73Å; H330-S334 PolarHBondContact O-OG 3.46Å
335R41.7Very low60.3Low280 Ų280111.5 Ų111.5100%1.05757%0.566SS**  trans-120.50171.4-72.6-173.1178.6-170-0.6109.6V333V333-R335 VanDerWaalsContact C-N 3.3Å

Retrieved 335 of 335 residues in 185.1 ms (Link to these results)

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