A0A5K4F8F6_SCHMA Loading...

Metastasis-associated protein MTA3 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F8F6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 770 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
1M38.1Very low78.7Confident226 Ų22675.4 Ų75.4100%1.11343%0.429SS*.  0-8.80-70-163.817900114.8
2A43.9Very low80.3Confident72 Ų7272.3 Ų72.360%0.59541%0.408SS*.  trans-77.7-19.2-17700000115.6N4A2-N4 PolarHBondContact O-N 2.75Å
3S60.6Low81.5Confident78 Ų7866.8 Ų66.855%0.54538%0.376SS..G310 helixtrans-69.3-31.7-173500000114.3N5 M6S3-N5 PolarHBondContact O-N 2.77Å; S3-M6 PolarHBondContact O-N 3.31Å
4N72.9Confident82.6Confident121 Ų12162.3 Ų62.365%0.64735%0.351SS*.G310 helixtrans-69.7-18.7-173.8-70.95.5000113.4A2A2-N4 PolarHBondContact O-N 2.75Å
5N86Confident83.4Confident21 Ų2158.2 Ų58.211%0.11233%0.327CS..G310 helixtrans-103.36.5-175.3-73.2-5.8000113.6S3 Y7 Y359 I360 N362S3-N5 PolarHBondContact O-N 2.77Å; N5-Y7 WeakPolarHBondContact O-CD2 3.37Å; N5-Y7 WeakPolarHBondContact O-CE2 3.42Å; N5-Y359 HydrophobicContact CB-CD2 3.92Å; N5-Y359 HydrophobicContact CB-CE2 3.43Å; N5-Y359 VanDerWaalsContact CB-CE2 3.43Å; N5-Y359 WeakPolarHBondContact O-CA 3.18Å; N5-I360 WeakPolarHBondContact CB-O 3.28Å; N5-I360 PolarHBondContact O-N 3.31Å; N5-N362 PolarHBondContact ND2-OD1 3.41Å; N5-N362 PolarHBondContact OD1-OD1 3.24Å
6M91.5Very high84Confident52 Ų5255.9 Ų55.926%0.25631%0.313SS..EExtended strand (participates in β ladder)trans-104.7120.7178.9-176.6171.558.200110.4S3 R8 K129 Q357 V358S3-M6 PolarHBondContact O-N 3.31Å; M6-R8 VanDerWaalsContact CE-NH2 3.26Å; M6-K129 WeakPolarHBondContact O-CE 3.41Å; M6-K129 PolarHBondContact O-NZ 3.02Å; M6-Q357 HydrophobicContact CG-CB 4.49Å; M6-Q357 PolarHBondContact SD-OE1 3.48Å; M6-V358 WeakPolarHBondContact CA-O 3.41Å
7Y94.4Very high84.4Confident7 Ų756.5 Ų56.53%0.02732%0.322CS..EExtended strand (participates in β ladder)trans-113.7137.6-176.4-59.3-90.4000110.3N5 V13 I126 G128 K129 Q357 V358 I360N5-Y7 WeakPolarHBondContact O-CD2 3.37Å; N5-Y7 WeakPolarHBondContact O-CE2 3.42Å; Y7-V13 HydrophobicContact CD1-CG1 3.61Å; Y7-V13 HydrophobicContact CE1-CG1 4.02Å; Y7-I126 HydrophobicContact CD1-CG2 3.65Å; Y7-I126 HydrophobicContact CD2-CG2 4.4Å; Y7-I126 HydrophobicContact CE1-CG2 3.23Å; Y7-I126 HydrophobicContact CE2-CG2 4.07Å; Y7-I126 HydrophobicContact CG-CG2 4.2Å; Y7-I126 VanDerWaalsContact CZ-CG2 3.46Å; Y7-G128 WeakPolarHBondContact OH-CA 3.17Å; Y7-G128 PolarHBondContact OH-N 3Å; Y7-K129 HydrophobicContact CD1-CD 4.42Å; Y7-K129 HydrophobicContact CD1-CG 3.81Å; Y7-K129 HydrophobicContact CE1-CG 3.6Å; Y7-Q357 CarbonylContact O-C 3.57Å; Y7-Q357 WeakPolarHBondContact O-CA 3.44Å; Y7-V358 PolarHBondContact N-O 3.26Å; Y7-V358 PolarHBondContact O-N 3.06Å; Y7-I360 HydrophobicContact CD2-CB 4.22Å; Y7-I360 HydrophobicContact CD2-CD1 3.59Å; Y7-I360 HydrophobicContact CD2-CG1 3.99Å; Y7-I360 HydrophobicContact CE2-CB 3.96Å; Y7-I360 HydrophobicContact CE2-CD1 3.85Å; Y7-I360 HydrophobicContact CE2-CG1 4.21Å; Y7-I360 HydrophobicContact CG-CD1 4.32Å
8R94.2Very high84.6Confident110 Ų11056.1 Ų56.142%0.41532%0.323SS..EExtended strand (participates in β ladder)trans-117.7156.8-176.1-59.1179.1-177.9-79.3-1.1110.8M6 G10 D11 K356 Q357M6-R8 VanDerWaalsContact CE-NH2 3.26Å; R8-G10 PolarHBondContact O-N 3.28Å; R8-D11 PolarHBondContact N-OD2 3.2Å; R8-D11 WeakPolarHBondContact O-CB 3.39Å; R8-D11 PolarHBondContact O-N 3.36Å; R8-D11 VanDerWaalsContact O-N 3.14Å; R8-K356 WeakPolarHBondContact CA-O 3.47Å; R8-Q357 HydrophobicContact CG-CB 4.15Å
9V93.6Very high84.7Confident64 Ų6454.4 Ų54.439%0.38832%0.317SS..THydrogen-bonded Turntrans-59.9130.5166.1177.40000108.8I28 D29 L31 K356V9-I28 HydrophobicContact CG2-CG2 4.4Å; V9-D29 WeakPolarHBondContact CG1-O 3.32Å; V9-L31 HydrophobicContact CG2-CB 4.49Å; V9-L31 HydrophobicContact CG2-CD1 4.15Å; V9-L31 HydrophobicContact CG2-CG 4.09Å; V9-K356 PolarHBondContact N-O 2.82Å; V9-K356 VanDerWaalsContact N-O 3.08Å
10G94.5Very high84.7Confident41 Ų4156.7 Ų56.742%0.42333%0.331SS..THydrogen-bonded Turntrans100.5-18.9-173.200000114.4R8 I28R8-G10 PolarHBondContact O-N 3.28Å; G10-I28 PolarHBondContact N-O 3.26Å
11D96.3Very high85Confident37 Ų3755.1 Ų55.120%0.19833%0.325CS..  trans-68.7143-179.8-71-13.9000111.6R8 V13 I28 K129R8-D11 PolarHBondContact N-OD2 3.2Å; R8-D11 WeakPolarHBondContact O-CB 3.39Å; R8-D11 PolarHBondContact O-N 3.36Å; R8-D11 VanDerWaalsContact O-N 3.14Å; D11-V13 HydrophobicContact CB-CG1 4.33Å; D11-I28 HydrophobicContact CB-CD1 4.48Å; D11-I28 PolarHBondContact O-N 3.19Å; D11-K129 WeakPolarHBondContact OD2-CE 3.42Å; D11-K129 IonicContact OD2-NZ 3.8Å; D11-K129 PolarHBondContact OD2-NZ 3.13Å
12F97.3Very high87.7Confident39 Ų3945.2 Ų45.217%0.17128%0.278CS..EExtended strand (participates in β ladder)trans-89.8134.4166.1-62-86.4000110.1R26 R27 Y46 K129 C130 V132F12-R26 CarbonylContact C-O 3.53Å; F12-R26 WeakPolarHBondContact CA-O 3.07Å; F12-R27 HydrophobicContact CD1-CB 3.76Å; F12-R27 HydrophobicContact CD1-CG 4.05Å; F12-R27 HydrophobicContact CE1-CB 3.71Å; F12-R27 HydrophobicContact CE1-CG 3.83Å; F12-R27 HydrophobicContact CZ-CG 4.19Å; F12-Y46 HydrophobicContact CD1-CE2 4.22Å; F12-Y46 AromaticContact CE1-CE2 3.78Å; F12-Y46 HydrophobicContact CE1-CE2 3.78Å; F12-Y46 AromaticContact CE1-CZ 3.68Å; F12-Y46 WeakPolarHBondContact CE1-OH 3.37Å; F12-K129 CarbonylContact O-C 3.59Å; F12-K129 WeakPolarHBondContact O-CA 3.48Å; F12-C130 WeakPolarHBondContact CB-O 3.46Å; F12-C130 PolarHBondContact O-N 2.9Å; F12-V132 HydrophobicContact CB-CG2 3.93Å; F12-V132 HydrophobicContact CD1-CB 3.64Å; F12-V132 HydrophobicContact CD1-CG2 3.54Å; F12-V132 HydrophobicContact CD2-CB 4.18Å; F12-V132 HydrophobicContact CD2-CG2 4.46Å; F12-V132 HydrophobicContact CE1-CB 3.7Å; F12-V132 HydrophobicContact CE1-CG1 4.34Å; F12-V132 HydrophobicContact CE1-CG2 4.12Å; F12-V132 HydrophobicContact CE2-CB 4.25Å; F12-V132 VanDerWaalsContact CE2-O 3.32Å; F12-V132 WeakPolarHBondContact CE2-O 3.43Å; F12-V132 HydrophobicContact CG-CB 3.88Å; F12-V132 HydrophobicContact CG-CG2 3.74Å; F12-V132 HydrophobicContact CZ-CB 4.01Å; F12-V132 WeakPolarHBondContact CZ-O 3.32Å
13V96.5Very high90.1Very high0 Ų043.9 Ų43.90%026%0.258CS..EExtended strand (participates in β ladder)trans-137.4149.2-168.5-66.60000112.9Y7 D11 F15 R26 I28 I126 G128Y7-V13 HydrophobicContact CD1-CG1 3.61Å; Y7-V13 HydrophobicContact CE1-CG1 4.02Å; D11-V13 HydrophobicContact CB-CG1 4.33Å; V13-F15 HydrophobicContact CG2-CD2 4.11Å; V13-R26 HydrophobicContact CG2-CB 4.43Å; V13-R26 PolarHBondContact N-O 3.03Å; V13-R26 PolarHBondContact O-N 3.13Å; V13-R26 VanDerWaalsContact O-N 3.09Å; V13-I28 HydrophobicContact CG1-CD1 3.84Å; V13-I28 HydrophobicContact CG1-CG1 4.28Å; V13-I28 HydrophobicContact CG2-CD1 4.31Å; V13-I28 HydrophobicContact CG2-CG1 4Å; V13-I126 HydrophobicContact CB-CG1 4.49Å; V13-I126 HydrophobicContact CB-CG2 3.82Å; V13-I126 HydrophobicContact CG1-CG2 3.91Å; V13-I126 HydrophobicContact CG2-CD1 4.4Å; V13-I126 HydrophobicContact CG2-CG1 4.2Å; V13-I126 HydrophobicContact CG2-CG2 4.45Å; V13-G128 WeakPolarHBondContact CA-O 3.2Å
14Y96.3Very high91.8Very high4 Ų443.7 Ų43.72%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-82.4119.7166.1-66.9-55.1000109.9Y23 I25 I126 R127 G128 K129 C130 E149 F151 R416Y14-Y23 HydrophobicContact CD1-CD2 4.17Å; Y14-Y23 HydrophobicContact CD1-CG 4.45Å; Y14-Y23 HydrophobicContact CD2-CD2 4.43Å; Y14-Y23 AromaticContact CG-CD2 3.89Å; Y14-Y23 HydrophobicContact CG-CD2 3.89Å; Y14-Y23 HydrophobicContact CG-CG 4.31Å; Y14-I25 HydrophobicContact CD1-CG1 4.02Å; Y14-I25 HydrophobicContact CE1-CD1 4.3Å; Y14-I25 HydrophobicContact CE1-CG1 4.09Å; Y14-I126 WeakPolarHBondContact O-CA 3.37Å; Y14-R127 PolarHBondContact O-N 3.11Å; Y14-G128 PolarHBondContact N-O 3.46Å; Y14-K129 VanDerWaalsContact CE2-O 3.31Å; Y14-K129 WeakPolarHBondContact CE2-O 3.42Å; Y14-C130 HydrophobicContact CD2-CB 4.43Å; Y14-C130 HydrophobicContact CE1-CB 4.02Å; Y14-C130 HydrophobicContact CE2-CB 3.86Å; Y14-E149 HydrophobicContact CE2-CG 4.27Å; Y14-F151 AromaticContact CE1-CE2 3.82Å; Y14-F151 HydrophobicContact CE1-CE2 3.82Å; Y14-F151 AromaticContact CE1-CZ 3.91Å; Y14-F151 HydrophobicContact CE1-CZ 3.91Å; Y14-F151 AromaticContact CZ-CE2 3.88Å; Y14-F151 VanDerWaalsContact OH-CE2 3.24Å; Y14-F151 WeakPolarHBondContact OH-CE2 3.45Å; Y14-R416 HydrophobicContact CE1-CB 4.48Å; Y14-R416 HydrophobicContact CE2-CG 4.29Å
15F95.2Very high93Very high1 Ų137.9 Ų37.90%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-106.2128.2179.1-129-92.9000110.1V13 Y23 Q24 R26 V43 L121 P122 H125 I126V13-F15 HydrophobicContact CG2-CD2 4.11Å; F15-Y23 CarbonylContact O-C 3.47Å; F15-Y23 WeakPolarHBondContact O-CA 3.45Å; F15-Q24 HydrophobicContact CB-CB 4.32Å; F15-Q24 PolarHBondContact N-O 2.99Å; F15-Q24 PolarHBondContact O-N 3.41Å; F15-R26 HydrophobicContact CB-CG 4.23Å; F15-V43 HydrophobicContact CE2-CG1 4.31Å; F15-L121 HydrophobicContact CD1-CB 4.45Å; F15-L121 HydrophobicContact CD1-CD1 3.71Å; F15-L121 HydrophobicContact CE1-CB 3.36Å; F15-L121 HydrophobicContact CE1-CD1 3.42Å; F15-L121 VanDerWaalsContact CE1-CD1 3.42Å; F15-L121 HydrophobicContact CE1-CG 4.02Å; F15-L121 HydrophobicContact CZ-CB 3.5Å; F15-L121 HydrophobicContact CZ-CD1 4.1Å; F15-L121 HydrophobicContact CZ-CG 4.45Å; F15-P122 WeakPolarHBondContact CZ-O 3.47Å; F15-H125 HydrophobicContact CD1-CB 3.57Å; F15-H125 HydrophobicContact CE1-CB 3.21Å; F15-H125 AromaticContact CE1-CG 3.97Å; F15-H125 AromaticContact CE1-ND1 3.93Å; F15-H125 HydrophobicContact CG-CB 4.45Å; F15-H125 HydrophobicContact CZ-CB 3.85Å; F15-I126 HydrophobicContact CD2-CG1 3.67Å; F15-I126 HydrophobicContact CE2-CD1 4.03Å; F15-I126 HydrophobicContact CE2-CG1 3.33Å; F15-I126 HydrophobicContact CZ-CG1 4.17Å
16E93.5Very high93.5Very high21 Ų2137.5 Ų37.510%0.09821%0.214CC..  trans-93.7115.5174.6-174.6165.5-111.800111Y23 H125 R127 K415E16-Y23 HydrophobicContact CB-CD1 4.06Å; E16-Y23 HydrophobicContact CB-CE1 4.09Å; E16-Y23 HydrophobicContact CG-CD1 4.48Å; E16-Y23 HydrophobicContact CG-CE1 4.34Å; E16-H125 PolarHBondContact N-O 2.77Å; E16-R127 HydrophobicContact CB-CG 3.8Å; E16-R127 IonicContact OE2-CZ 2.66Å; E16-R127 IonicContact OE2-NE 2.77Å; E16-R127 IonicContact OE2-NH1 3.09Å; E16-R127 PolarHBondContact OE2-NH1 3.36Å; E16-R127 VanDerWaalsContact OE2-NH1 3.09Å; E16-R127 IonicContact OE2-NH2 2.64Å; E16-R127 PolarHBondContact OE2-NH2 3.09Å; E16-K415 IonicContact OE1-NZ 3.03Å; E16-K415 PolarHBondContact OE1-NZ 2.7Å
17S89.5Confident93.8Very high67 Ų6739.1 Ų39.147%0.46922%0.218SC..SBendtrans-91.6-37.9171.654.30000112.3
18S89Confident93.9Very high49 Ų4938.8 Ų38.834%0.34322%0.216SC..  trans-150146.8173.159.30000111.1T20 A21S18-T20 PolarHBondContact O-N 3.13Å; S18-A21 PolarHBondContact O-N 3Å; S18-A21 VanDerWaalsContact O-N 3.07Å; S18-A21 WeakPolarHBondContact OG-CB 3.43Å; S18-A21 PolarHBondContact OG-N 2.92Å
19A85.8Confident93.9Very high24 Ų2436.2 Ų36.220%0.19821%0.21CC..THydrogen-bonded Turntrans-58-35.1-179.500000113A21 P368 K415A19-A21 VanDerWaalsContact C-N 3.35Å; A19-P368 HydrophobicContact CB-CG 3.64Å; A19-K415 PolarHBondContact O-NZ 3.24Å
20T86Confident93.9Very high99 Ų9935.2 Ų35.261%0.60720%0.202SC*.THydrogen-bonded Turntrans-89.39-179.454.90000114.2S18 W414S18-T20 PolarHBondContact O-N 3.13Å; T20-W414 WeakPolarHBondContact O-CH2 3.42Å
21A91.1Very high93.9Very high25 Ų2533.3 Ų33.321%0.20718%0.182CC..SBendtrans-116.6153.8171.500000110.5S18 A19 K415S18-A21 PolarHBondContact O-N 3Å; S18-A21 VanDerWaalsContact O-N 3.07Å; S18-A21 WeakPolarHBondContact OG-CB 3.43Å; S18-A21 PolarHBondContact OG-N 2.92Å; A19-A21 VanDerWaalsContact C-N 3.35Å; A21-K415 WeakPolarHBondContact O-CE 3.03Å; A21-K415 PolarHBondContact O-NZ 3.17Å
22P93.2Very high93.6Very high18 Ų1834.3 Ų34.312%0.11719%0.187CC..PPolyproline II helixtrans-59.5157.5167.4-25.839000111.6W414P22-W414 HydrophobicContact CG-CD2 4.2Å; P22-W414 HydrophobicContact CG-CH2 4.09Å; P22-W414 HydrophobicContact CG-CZ2 3.63Å
23Y95.5Very high93.3Very high44 Ų4439.3 Ų39.317%0.17321%0.209CC..PPolyproline II helixtrans-62.6143176.1-60-43000110.9Y14 F15 E16 R48 R127 K415Y14-Y23 HydrophobicContact CD1-CD2 4.17Å; Y14-Y23 HydrophobicContact CD1-CG 4.45Å; Y14-Y23 HydrophobicContact CD2-CD2 4.43Å; Y14-Y23 AromaticContact CG-CD2 3.89Å; Y14-Y23 HydrophobicContact CG-CD2 3.89Å; Y14-Y23 HydrophobicContact CG-CG 4.31Å; F15-Y23 CarbonylContact O-C 3.47Å; F15-Y23 WeakPolarHBondContact O-CA 3.45Å; E16-Y23 HydrophobicContact CB-CD1 4.06Å; E16-Y23 HydrophobicContact CB-CE1 4.09Å; E16-Y23 HydrophobicContact CG-CD1 4.48Å; E16-Y23 HydrophobicContact CG-CE1 4.34Å; Y23-R48 PolarHBondContact O-NE 3.28Å; Y23-R48 PolarHBondContact O-NH1 2.92Å; Y23-R48 PolarHBondContact O-NH2 3.5Å; Y23-R127 HydrophobicContact CD1-CG 4.45Å; Y23-R127 HydrophobicContact CE1-CB 4.05Å; Y23-R127 HydrophobicContact CE1-CG 3.86Å; Y23-R127 HydrophobicContact CE2-CB 4.5Å; Y23-K415 HydrophobicContact CD2-CB 4.26Å; Y23-K415 WeakPolarHBondContact CD2-O 3.44Å; Y23-K415 HydrophobicContact CE2-CB 3.92Å; Y23-K415 PolarHBondContact N-O 2.74Å
24Q96.2Very high92.8Very high73 Ų7340.6 Ų40.634%0.34122%0.217SC..EExtended strand (participates in β ladder)trans-86.1144.8167.9-66.4179.3-24.400108.7F15F15-Q24 HydrophobicContact CB-CB 4.32Å; F15-Q24 PolarHBondContact N-O 2.99Å; F15-Q24 PolarHBondContact O-N 3.41Å
25I97.1Very high92.4Very high0 Ų047.3 Ų47.30%026%0.261CS..EExtended strand (participates in β ladder)trans-101.7131.4-179.7-64.8163.1000108.4Y14 Y46 L112 V132 F151Y14-I25 HydrophobicContact CD1-CG1 4.02Å; Y14-I25 HydrophobicContact CE1-CD1 4.3Å; Y14-I25 HydrophobicContact CE1-CG1 4.09Å; I25-Y46 WeakPolarHBondContact O-CB 3.45Å; I25-Y46 PolarHBondContact O-N 3.09Å; I25-L112 HydrophobicContact CB-CD1 4.06Å; I25-L112 HydrophobicContact CD1-CD1 3.7Å; I25-L112 HydrophobicContact CD1-CD2 3.69Å; I25-L112 HydrophobicContact CD1-CG 4.28Å; I25-L112 HydrophobicContact CG1-CD1 4.48Å; I25-L112 HydrophobicContact CG2-CD1 3.68Å; I25-V132 HydrophobicContact CG2-CG2 3.79Å; I25-F151 HydrophobicContact CD1-CD1 3.72Å; I25-F151 HydrophobicContact CD1-CD2 4.03Å; I25-F151 HydrophobicContact CD1-CE1 3.5Å; I25-F151 VanDerWaalsContact CD1-CE1 3.5Å; I25-F151 HydrophobicContact CD1-CE2 3.8Å; I25-F151 HydrophobicContact CD1-CG 4.01Å; I25-F151 HydrophobicContact CD1-CZ 3.55Å
26R97.3Very high92.2Very high12 Ų1253.3 Ų53.35%0.04530%0.298CS..EExtended strand (participates in β ladder)trans-145153.7-173.9-57.1-172.8177.1-112.14.7111.1F12 V13 F15 V43 A44 C45 E119 L121F12-R26 CarbonylContact C-O 3.53Å; F12-R26 WeakPolarHBondContact CA-O 3.07Å; V13-R26 HydrophobicContact CG2-CB 4.43Å; V13-R26 PolarHBondContact N-O 3.03Å; V13-R26 PolarHBondContact O-N 3.13Å; V13-R26 VanDerWaalsContact O-N 3.09Å; F15-R26 HydrophobicContact CB-CG 4.23Å; R26-V43 HydrophobicContact CB-CB 4.01Å; R26-V43 HydrophobicContact CB-CG1 4.4Å; R26-A44 CarbonylContact C-O 3.47Å; R26-A44 VanDerWaalsContact CA-O 3.22Å; R26-A44 WeakPolarHBondContact CA-O 3.45Å; R26-A44 WeakPolarHBondContact CB-O 3.3Å; R26-C45 PolarHBondContact NH1-SG 3.25Å; R26-E119 IonicContact CZ-OE2 2.7Å; R26-E119 VanDerWaalsContact NH1-CD 3.35Å; R26-E119 IonicContact NH1-OE2 3.6Å; R26-E119 PolarHBondContact NH1-OE2 3.44Å; R26-E119 IonicContact NH2-OE2 3.62Å; R26-E119 PolarHBondContact NH2-OE2 2.84Å; R26-L121 VanDerWaalsContact CZ-CD1 3.46Å
27R97.5Very high91.8Very high87 Ų8754 Ų5433%0.32831%0.31SS..EExtended strand (participates in β ladder)trans-106.1132.8170.6-170.9-175.370.2-164-1.1110F12 D29 V43 A44 Y46F12-R27 HydrophobicContact CD1-CB 3.76Å; F12-R27 HydrophobicContact CD1-CG 4.05Å; F12-R27 HydrophobicContact CE1-CB 3.71Å; F12-R27 HydrophobicContact CE1-CG 3.83Å; F12-R27 HydrophobicContact CZ-CG 4.19Å; R27-D29 IonicContact CZ-OD1 2.68Å; R27-D29 VanDerWaalsContact CZ-OD1 3.3Å; R27-D29 IonicContact NE-OD1 3.16Å; R27-D29 PolarHBondContact NE-OD1 3.33Å; R27-D29 IonicContact NH2-OD1 3.99Å; R27-D29 PolarHBondContact NH2-OD1 3.26Å; R27-D29 IonicContact NH2-OD2 2.6Å; R27-D29 PolarHBondContact O-N 3.09Å; R27-V43 CarbonylContact O-C 3.55Å; R27-V43 WeakPolarHBondContact O-CA 3.2Å; R27-A44 HydrophobicContact CB-CB 4.35Å; R27-A44 PolarHBondContact N-O 3.11Å; R27-A44 PolarHBondContact O-N 3.19Å; R27-Y46 HydrophobicContact CB-CE2 4.1Å
28I96.6Very high91.9Very high0 Ų053.4 Ų53.40%031%0.31CS..EExtended strand (participates in β ladder)trans-76.8109.7176.1-56.7175.3000109.2V9 G10 D11 V13 L31 V43 I126V9-I28 HydrophobicContact CG2-CG2 4.4Å; G10-I28 PolarHBondContact N-O 3.26Å; D11-I28 HydrophobicContact CB-CD1 4.48Å; D11-I28 PolarHBondContact O-N 3.19Å; V13-I28 HydrophobicContact CG1-CD1 3.84Å; V13-I28 HydrophobicContact CG1-CG1 4.28Å; V13-I28 HydrophobicContact CG2-CD1 4.31Å; V13-I28 HydrophobicContact CG2-CG1 4Å; I28-L31 HydrophobicContact CG2-CD2 3.84Å; I28-L31 HydrophobicContact CG2-CG 3.84Å; I28-V43 HydrophobicContact CG1-CG1 4.32Å; I28-I126 HydrophobicContact CD1-CD1 3.95Å
29D94.9Very high92.1Very high55 Ų5552.5 Ų52.529%0.29430%0.302SS..EExtended strand (participates in β ladder)trans-89.5-33176.4-74.3-13.5000111.9V9 R27 K42V9-D29 WeakPolarHBondContact CG1-O 3.32Å; R27-D29 IonicContact CZ-OD1 2.68Å; R27-D29 VanDerWaalsContact CZ-OD1 3.3Å; R27-D29 IonicContact NE-OD1 3.16Å; R27-D29 PolarHBondContact NE-OD1 3.33Å; R27-D29 IonicContact NH2-OD1 3.99Å; R27-D29 PolarHBondContact NH2-OD1 3.26Å; R27-D29 IonicContact NH2-OD2 2.6Å; R27-D29 PolarHBondContact O-N 3.09Å; D29-K42 PolarHBondContact N-O 2.85Å
30E93.5Very high92.5Very high43 Ų4355.3 Ų55.320%0.20131%0.311CS..EExtended strand (participates in β ladder)trans-156.7146.3180-176.3174.1-149.900110.9K42 K354E30-K42 HydrophobicContact CB-CB 4.02Å; E30-K42 HydrophobicContact CB-CD 4.41Å; E30-K42 PolarHBondContact N-O 3.26Å; E30-K42 PolarHBondContact O-N 3.28Å; E30-K354 WeakPolarHBondContact OE1-CE 3.16Å; E30-K354 IonicContact OE1-NZ 3.51Å; E30-K354 PolarHBondContact OE1-NZ 3.09Å
31L93.6Very high92.9Very high2 Ų250.6 Ų50.61%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-114.6128172.4-67168.2000109.1V9 I28 V39 A41 L355 V358V9-L31 HydrophobicContact CG2-CB 4.49Å; V9-L31 HydrophobicContact CG2-CD1 4.15Å; V9-L31 HydrophobicContact CG2-CG 4.09Å; I28-L31 HydrophobicContact CG2-CD2 3.84Å; I28-L31 HydrophobicContact CG2-CG 3.84Å; L31-V39 HydrophobicContact CB-CG1 4.43Å; L31-V39 HydrophobicContact CD2-CG1 4.24Å; L31-A41 HydrophobicContact CD2-CB 3.82Å; L31-L355 HydrophobicContact CB-CB 3.82Å; L31-V358 HydrophobicContact CD1-CB 4.2Å; L31-V358 HydrophobicContact CD1-CG1 3.91Å; L31-V358 HydrophobicContact CD2-CG1 4.01Å
32N90.7Very high93.2Very high57 Ų5751.9 Ų51.931%0.30528%0.283SS..EExtended strand (participates in β ladder)trans-121.2130-177-68.7-55.4000110.3V39 E40N32-V39 WeakPolarHBondContact O-CA 3.39Å; N32-E40 PolarHBondContact N-O 3.16Å; N32-E40 PolarHBondContact O-N 3.35Å
33K89.7Confident93.3Very high145 Ų14551 Ų5163%0.6328%0.277SS*.EExtended strand (participates in β ladder)trans-89.2119.8171.1-158.4176.1175.3-178.40108.2L355K33-L355 HydrophobicContact CB-CD1 3.66Å; K33-L355 HydrophobicContact CG-CD1 4.37Å
34T87.7Confident93.4Very high27 Ų2749.2 Ų49.217%0.16627%0.271CS..  trans-69.4156.4169.960.20000110.1T36 G37 A38 E40T34-T36 PolarHBondContact O-N 3.14Å; T34-T36 VanDerWaalsContact O-N 3.13Å; T34-T36 PolarHBondContact OG1-OG1 2.92Å; T34-G37 PolarHBondContact O-N 3.44Å; T34-A38 PolarHBondContact N-O 3.2Å; T34-A38 WeakPolarHBondContact OG1-CA 3.42Å; T34-A38 WeakPolarHBondContact OG1-CB 3.39Å; T34-A38 PolarHBondContact OG1-N 3.46Å; T34-A38 VanDerWaalsContact OG1-N 3.1Å; T34-A38 PolarHBondContact OG1-O 2.58Å; T34-E40 HydrophobicContact CG2-CG 4.01Å
35P87.4Confident93.4Very high144 Ų14446 Ų4694%0.93526%0.256SS*.THydrogen-bonded Turntrans-56.9-26.7176.6-26.335.1000114G37P35-G37 PolarHBondContact O-N 3.15Å
36T89.4Confident93.4Very high128 Ų12846.4 Ų46.479%0.78526%0.258SS*.THydrogen-bonded Turntrans-75.9-8.2176.260.20000113.4T34T34-T36 PolarHBondContact O-N 3.14Å; T34-T36 VanDerWaalsContact O-N 3.13Å; T34-T36 PolarHBondContact OG1-OG1 2.92Å
37G86Confident93.3Very high35 Ų3547.9 Ų47.936%0.36126%0.264SS..SBendtrans94.8-7.9-179.600000115.1T34 P35T34-G37 PolarHBondContact O-N 3.44Å; P35-G37 PolarHBondContact O-N 3.15Å
38A90.7Very high93.2Very high55 Ų5544.3 Ų44.346%0.45525%0.251SS..  trans-69.4148.1173.800000111.1T34T34-A38 PolarHBondContact N-O 3.2Å; T34-A38 WeakPolarHBondContact OG1-CA 3.42Å; T34-A38 WeakPolarHBondContact OG1-CB 3.39Å; T34-A38 PolarHBondContact OG1-N 3.46Å; T34-A38 VanDerWaalsContact OG1-N 3.1Å; T34-A38 PolarHBondContact OG1-O 2.58Å
39V93.4Very high93Very high30 Ų3046.2 Ų46.218%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-106126.8178.9-176.70000109.8L31 N32 A123 L355 V358L31-V39 HydrophobicContact CB-CG1 4.43Å; L31-V39 HydrophobicContact CD2-CG1 4.24Å; N32-V39 WeakPolarHBondContact O-CA 3.39Å; V39-A123 HydrophobicContact CB-CB 4.12Å; V39-A123 HydrophobicContact CG1-CB 4.01Å; V39-A123 VanDerWaalsContact O-CB 3.26Å; V39-A123 WeakPolarHBondContact O-CB 3.42Å; V39-A123 PolarHBondContact O-N 3.08Å; V39-L355 HydrophobicContact CG1-CD1 4.14Å; V39-L355 HydrophobicContact CG2-CD1 4.11Å; V39-V358 HydrophobicContact CB-CG2 4.11Å; V39-V358 HydrophobicContact CG1-CB 4.33Å; V39-V358 HydrophobicContact CG1-CG2 4.03Å; V39-V358 HydrophobicContact CG2-CG2 4.01Å
40E94.4Very high92.8Very high82 Ų8249.2 Ų49.238%0.38327%0.265SS..EExtended strand (participates in β ladder)trans-107.4139.1172-65.6-178.116700109.4N32 T34N32-E40 PolarHBondContact N-O 3.16Å; N32-E40 PolarHBondContact O-N 3.35Å; T34-E40 HydrophobicContact CG2-CG 4.01Å
41A95.3Very high92.6Very high0 Ų050.6 Ų50.60%027%0.274CS..EExtended strand (participates in β ladder)trans-104.6124.2175.600000109.1L31 V43 C120 L121L31-A41 HydrophobicContact CD2-CB 3.82Å; A41-V43 HydrophobicContact CB-CG1 3.85Å; A41-C120 WeakPolarHBondContact O-CA 3.5Å; A41-L121 PolarHBondContact N-O 3.3Å; A41-L121 PolarHBondContact O-N 3.26Å
42K96.3Very high92.6Very high53 Ų5350.9 Ų50.923%0.2328%0.276CS..EExtended strand (participates in β ladder)trans-84.9122.2165.7-174.2174.9-173.4165.40108.3D29 E30 V118 E119D29-K42 PolarHBondContact N-O 2.85Å; E30-K42 HydrophobicContact CB-CB 4.02Å; E30-K42 HydrophobicContact CB-CD 4.41Å; E30-K42 PolarHBondContact N-O 3.26Å; E30-K42 PolarHBondContact O-N 3.28Å; K42-V118 HydrophobicContact CD-CG1 4.08Å; K42-V118 HydrophobicContact CG-CG1 3.4Å; K42-V118 VanDerWaalsContact CG-CG1 3.4Å; K42-E119 CarbonylContact C-O 3.55Å; K42-E119 WeakPolarHBondContact CA-O 3.29Å
43V97Very high92.7Very high0 Ų050.9 Ų50.90%028%0.28CS..EExtended strand (participates in β ladder)trans-135.1132.7-162.6-73.50000112.1F15 R26 R27 I28 A41 V118 E119 L121F15-V43 HydrophobicContact CE2-CG1 4.31Å; R26-V43 HydrophobicContact CB-CB 4.01Å; R26-V43 HydrophobicContact CB-CG1 4.4Å; R27-V43 CarbonylContact O-C 3.55Å; R27-V43 WeakPolarHBondContact O-CA 3.2Å; I28-V43 HydrophobicContact CG1-CG1 4.32Å; A41-V43 HydrophobicContact CB-CG1 3.85Å; V43-V118 WeakPolarHBondContact O-CA 3.43Å; V43-E119 HydrophobicContact CG2-CB 4.38Å; V43-E119 VanDerWaalsContact CG2-O 3.27Å; V43-E119 WeakPolarHBondContact CG2-O 3.49Å; V43-E119 PolarHBondContact N-O 2.85Å; V43-E119 PolarHBondContact O-N 3.49Å; V43-L121 HydrophobicContact CG2-CD1 4.3Å
44A96.5Very high92.7Very high5 Ų548.3 Ų48.34%0.04128%0.28CS..EExtended strand (participates in β ladder)trans-80.1135.4170.400000110.4R26 R27R26-A44 CarbonylContact C-O 3.47Å; R26-A44 VanDerWaalsContact CA-O 3.22Å; R26-A44 WeakPolarHBondContact CA-O 3.45Å; R26-A44 WeakPolarHBondContact CB-O 3.3Å; R27-A44 HydrophobicContact CB-CB 4.35Å; R27-A44 PolarHBondContact N-O 3.11Å; R27-A44 PolarHBondContact O-N 3.19Å
45C96.3Very high92.8Very high5 Ų550.3 Ų50.33%0.03430%0.299CS..EExtended strand (participates in β ladder)trans-87135.8-174.4-59.20000112.5R26 Y47 S115 Q117R26-C45 PolarHBondContact NH1-SG 3.25Å; C45-Y47 HydrophobicContact CB-CD2 4.39Å; C45-Y47 HydrophobicContact CB-CE2 3.85Å; C45-S115 WeakPolarHBondContact O-CB 3.49Å; C45-S115 PolarHBondContact O-N 3.41Å; C45-S115 VanDerWaalsContact O-N 3.08Å; C45-Q117 HydrophobicContact CB-CB 4.44Å; C45-Q117 PolarHBondContact N-O 3.08Å; C45-Q117 VanDerWaalsContact N-O 3.08Å
46Y97Very high93Very high10 Ų1044.2 Ų44.24%0.03926%0.259CS..EExtended strand (participates in β ladder)trans-116.1126.6167.3-73.4-104.7000109.6F12 I25 R27 L112 F113 L114 V132 Y153F12-Y46 HydrophobicContact CD1-CE2 4.22Å; F12-Y46 AromaticContact CE1-CE2 3.78Å; F12-Y46 HydrophobicContact CE1-CE2 3.78Å; F12-Y46 AromaticContact CE1-CZ 3.68Å; F12-Y46 WeakPolarHBondContact CE1-OH 3.37Å; I25-Y46 WeakPolarHBondContact O-CB 3.45Å; I25-Y46 PolarHBondContact O-N 3.09Å; R27-Y46 HydrophobicContact CB-CE2 4.1Å; Y46-L112 HydrophobicContact CD1-CB 4.09Å; Y46-L112 HydrophobicContact CD1-CD1 4.23Å; Y46-L112 HydrophobicContact CG-CD1 4.41Å; Y46-F113 WeakPolarHBondContact CA-O 3.31Å; Y46-L114 HydrophobicContact CD1-CB 4.46Å; Y46-L114 HydrophobicContact CE1-CB 4.02Å; Y46-L114 HydrophobicContact CE1-CD1 3.91Å; Y46-L114 HydrophobicContact CE2-CD1 4.06Å; Y46-V132 HydrophobicContact CD1-CG1 4.1Å; Y46-V132 HydrophobicContact CE1-CG1 3.81Å; Y46-Y153 HydrophobicContact CE1-CD1 4.02Å; Y46-Y153 HydrophobicContact CE1-CE1 4.32Å; Y46-Y153 HydrophobicContact CE1-CG 4.34Å
47Y95.7Very high93.1Very high43 Ų4338.9 Ų38.917%0.16923%0.226CC..EExtended strand (participates in β ladder)trans-96.1142.2-176.2-75.8-101000110.2C45 D51 L112 F113 Q117 Y157C45-Y47 HydrophobicContact CB-CD2 4.39Å; C45-Y47 HydrophobicContact CB-CE2 3.85Å; Y47-D51 HydrophobicContact CD1-CB 3.64Å; Y47-D51 HydrophobicContact CG-CB 4.46Å; Y47-L112 CarbonylContact O-C 3.59Å; Y47-L112 WeakPolarHBondContact O-CA 3.35Å; Y47-F113 PolarHBondContact N-O 3.37Å; Y47-F113 PolarHBondContact O-N 3Å; Y47-Q117 PolarHBondContact OH-OE1 3.06Å; Y47-Y157 HydrophobicContact CD1-CD1 4.07Å; Y47-Y157 AromaticContact CD1-CE1 3.91Å; Y47-Y157 HydrophobicContact CD1-CE1 3.91Å; Y47-Y157 AromaticContact CD2-CD1 3.91Å; Y47-Y157 HydrophobicContact CD2-CD1 3.91Å; Y47-Y157 HydrophobicContact CD2-CE1 4.46Å; Y47-Y157 HydrophobicContact CE1-CE1 4.15Å; Y47-Y157 HydrophobicContact CE2-CD1 4.36Å; Y47-Y157 AromaticContact CG-CD1 3.75Å; Y47-Y157 HydrophobicContact CG-CD1 3.75Å; Y47-Y157 HydrophobicContact CG-CE1 4.09Å
48R95Very high93.2Very high11 Ų1141.4 Ų41.44%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-89.4165.1173.1-60.4177.5178-161.6-14.6109.8Y23 R50 D51 V52 L112 R416 Y417Y23-R48 PolarHBondContact O-NE 3.28Å; Y23-R48 PolarHBondContact O-NH1 2.92Å; Y23-R48 PolarHBondContact O-NH2 3.5Å; R48-R50 HydrophobicContact CB-CG 4.02Å; R48-R50 VanDerWaalsContact CD-NH2 3.3Å; R48-R50 VanDerWaalsContact NH1-NH2 3.16Å; R48-R50 PolarHBondContact O-N 2.88Å; R48-R50 VanDerWaalsContact O-N 3.12Å; R48-D51 WeakPolarHBondContact CB-OD2 3.5Å; R48-D51 PolarHBondContact N-OD2 2.92Å; R48-D51 WeakPolarHBondContact O-CB 3.49Å; R48-D51 PolarHBondContact O-N 3.39Å; R48-V52 PolarHBondContact O-N 3.46Å; R48-L112 HydrophobicContact CG-CD2 3.83Å; R48-R416 PolarHBondContact NH2-O 2.82Å; R48-Y417 PolarHBondContact NH1-O 3.24Å
49R93.1Very high92.9Very high40 Ų4044.4 Ų44.415%0.15124%0.235CC..G310 helixtrans-48.9-40.6174.5-73.8-177.7162.7-116.43114.1D51 V52 I57 E61 K108 E111 F113R49-D51 VanDerWaalsContact C-N 3.28Å; R49-D51 PolarHBondContact O-N 3.41Å; R49-V52 PolarHBondContact O-N 2.91Å; R49-I57 HydrophobicContact CB-CD1 4.18Å; R49-I57 HydrophobicContact CG-CD1 4.1Å; R49-E61 IonicContact CZ-OE1 2.74Å; R49-E61 IonicContact NH1-OE1 2.7Å; R49-E61 PolarHBondContact NH1-OE1 3.31Å; R49-K108 WeakPolarHBondContact CD-O 3.29Å; R49-E111 IonicContact CZ-OE2 3.52Å; R49-E111 IonicContact NE-OE2 2.67Å; R49-E111 PolarHBondContact NE-OE2 2.81Å; R49-E111 IonicContact NH2-OE1 3.07Å; R49-E111 IonicContact NH2-OE2 3.22Å; R49-E111 PolarHBondContact NH2-OE2 3.39Å; R49-F113 HydrophobicContact CG-CE2 3.86Å; R49-F113 HydrophobicContact CG-CZ 4.4Å
50R89.5Confident92.5Very high119 Ų11943.1 Ų43.145%0.44923%0.228SC..G310 helixtrans-68.8-20.6177.356.1148.4154-97.2-43.8115.2R48 V52 Y417 G418R48-R50 HydrophobicContact CB-CG 4.02Å; R48-R50 VanDerWaalsContact CD-NH2 3.3Å; R48-R50 VanDerWaalsContact NH1-NH2 3.16Å; R48-R50 PolarHBondContact O-N 2.88Å; R48-R50 VanDerWaalsContact O-N 3.12Å; R50-V52 VanDerWaalsContact C-N 3.3Å; R50-Y417 PolarHBondContact NH2-O 3.21Å; R50-G418 VanDerWaalsContact CZ-O 3.24Å; R50-G418 PolarHBondContact NH1-O 2.95Å; R50-G418 VanDerWaalsContact NH2-C 3.28Å; R50-G418 PolarHBondContact NH2-O 2.67Å
51D91.1Very high92.1Very high72 Ų7242.5 Ų42.539%0.38523%0.225SC..G310 helixtrans-89.3-8.1-178.3-49.3-39.2000110.7Y47 R48 R49Y47-D51 HydrophobicContact CD1-CB 3.64Å; Y47-D51 HydrophobicContact CG-CB 4.46Å; R48-D51 WeakPolarHBondContact CB-OD2 3.5Å; R48-D51 PolarHBondContact N-OD2 2.92Å; R48-D51 WeakPolarHBondContact O-CB 3.49Å; R48-D51 PolarHBondContact O-N 3.39Å; R49-D51 VanDerWaalsContact C-N 3.28Å; R49-D51 PolarHBondContact O-N 3.41Å
52V92.3Very high91.2Very high8 Ų850.3 Ų50.35%0.04826%0.259CS..SBendtrans-108.2142177.3-179.90000108.4R48 R49 R50 L56 I57 F113 Y157R48-V52 PolarHBondContact O-N 3.46Å; R49-V52 PolarHBondContact O-N 2.91Å; R50-V52 VanDerWaalsContact C-N 3.3Å; V52-L56 HydrophobicContact CG1-CB 3.73Å; V52-L56 HydrophobicContact CG1-CD1 3.89Å; V52-L56 HydrophobicContact CG1-CG 4.5Å; V52-I57 HydrophobicContact CB-CD1 3.88Å; V52-I57 HydrophobicContact CB-CG1 4.25Å; V52-I57 HydrophobicContact CG1-CD1 3.88Å; V52-I57 HydrophobicContact CG1-CG1 4.21Å; V52-F113 HydrophobicContact CG2-CD2 3.84Å; V52-F113 HydrophobicContact CG2-CE2 4.31Å; V52-F113 HydrophobicContact CG2-CG 4.23Å; V52-Y157 HydrophobicContact CG1-CD2 4.28Å; V52-Y157 HydrophobicContact CG1-CE2 4.14Å; V52-Y157 HydrophobicContact CG2-CD1 4.03Å; V52-Y157 HydrophobicContact CG2-CD2 4.26Å; V52-Y157 HydrophobicContact CG2-CE1 4.14Å; V52-Y157 HydrophobicContact CG2-CE2 4.38Å; V52-Y157 HydrophobicContact CG2-CG 4.08Å
53S92.1Very high90Very high56 Ų5651.8 Ų51.839%0.39226%0.264SS..  trans-60.6145-178.366.90000112.2A55 L56 I57S53-A55 PolarHBondContact O-N 3.21Å; S53-L56 PolarHBondContact O-N 3.25Å; S53-L56 WeakPolarHBondContact OG-CD1 3.45Å; S53-L56 WeakPolarHBondContact OG-CG 3.45Å; S53-I57 PolarHBondContact O-N 3.36Å; S53-I57 VanDerWaalsContact O-N 3.11Å
54S90.5Very high89Confident92 Ų9253.9 Ų53.964%0.64327%0.272SS*.Hα-helixtrans-55.6-34.9179.2530000113.6L56 I57 N58S54-L56 PolarHBondContact O-N 3.44Å; S54-I57 PolarHBondContact O-N 2.95Å; S54-N58 WeakPolarHBondContact O-CB 3.28Å; S54-N58 PolarHBondContact O-N 2.83Å; S54-N58 PolarHBondContact O-ND2 3.03Å; S54-N58 PolarHBondContact O-OD1 3.22Å
55A90.4Very high87.2Confident68 Ų6855.3 Ų55.356%0.56229%0.287SS*.Hα-helixtrans-59.8-44.3176.200000112.6S53 N58 Q59S53-A55 PolarHBondContact O-N 3.21Å; A55-N58 PolarHBondContact O-N 3.46Å; A55-Q59 PolarHBondContact O-N 3.17Å; A55-Q59 VanDerWaalsContact O-N 3.09Å
56L91.5Very high85.1Confident16 Ų1657.4 Ų57.48%0.08430%0.301CS..Hα-helixtrans-70.9-37.2177.5-68.4172.7000111.9V52 S53 S54 N58 Q59 A60 Y157 K162 L164V52-L56 HydrophobicContact CG1-CB 3.73Å; V52-L56 HydrophobicContact CG1-CD1 3.89Å; V52-L56 HydrophobicContact CG1-CG 4.5Å; S53-L56 PolarHBondContact O-N 3.25Å; S53-L56 WeakPolarHBondContact OG-CD1 3.45Å; S53-L56 WeakPolarHBondContact OG-CG 3.45Å; S54-L56 PolarHBondContact O-N 3.44Å; L56-N58 VanDerWaalsContact C-N 3.34Å; L56-Q59 WeakPolarHBondContact O-CB 3.5Å; L56-Q59 PolarHBondContact O-N 3.22Å; L56-A60 PolarHBondContact O-N 3.26Å; L56-Y157 HydrophobicContact CD1-CD2 4.43Å; L56-Y157 HydrophobicContact CD1-CE2 3.86Å; L56-K162 HydrophobicContact CD1-CB 4.45Å; L56-K162 VanDerWaalsContact CD1-O 3.29Å; L56-K162 WeakPolarHBondContact CD1-O 3.34Å; L56-L164 HydrophobicContact CB-CD1 3.85Å; L56-L164 HydrophobicContact CB-CG 4.25Å; L56-L164 WeakPolarHBondContact O-CD1 3.18Å
57I91.9Very high82.8Confident17 Ų1760.8 Ų60.89%0.08732%0.32CS..Hα-helixtrans-62.9-43.2174.7-63.7-55.2000110.9R49 V52 S53 S54 Q59 A60 E61 F113R49-I57 HydrophobicContact CB-CD1 4.18Å; R49-I57 HydrophobicContact CG-CD1 4.1Å; V52-I57 HydrophobicContact CB-CD1 3.88Å; V52-I57 HydrophobicContact CB-CG1 4.25Å; V52-I57 HydrophobicContact CG1-CD1 3.88Å; V52-I57 HydrophobicContact CG1-CG1 4.21Å; S53-I57 PolarHBondContact O-N 3.36Å; S53-I57 VanDerWaalsContact O-N 3.11Å; S54-I57 PolarHBondContact O-N 2.95Å; I57-Q59 PolarHBondContact O-N 2.84Å; I57-A60 PolarHBondContact O-N 2.69Å; I57-E61 WeakPolarHBondContact O-CG 3.35Å; I57-E61 PolarHBondContact O-N 3.44Å; I57-F113 HydrophobicContact CD1-CE2 3.65Å; I57-F113 HydrophobicContact CD1-CZ 3.51Å
58N88.4Confident80.3Confident88 Ų8864.8 Ų64.847%0.47135%0.345SS..Hα-helixtrans-62.7-34175.1-66.8-12.2000111.8S54 A55 L56 K62S54-N58 WeakPolarHBondContact O-CB 3.28Å; S54-N58 PolarHBondContact O-N 2.83Å; S54-N58 PolarHBondContact O-ND2 3.03Å; S54-N58 PolarHBondContact O-OD1 3.22Å; A55-N58 PolarHBondContact O-N 3.46Å; L56-N58 VanDerWaalsContact C-N 3.34Å; N58-K62 WeakPolarHBondContact O-CG 3.43Å; N58-K62 PolarHBondContact O-N 2.8Å
59Q83.2Confident77.6Confident118 Ų11870.2 Ų70.255%0.55138%0.375SS*.Hα-helixtrans-68.7-42.5174.1-172.7178.49.700111.9A55 L56 I57 E61 K62 Y63A55-Q59 PolarHBondContact O-N 3.17Å; A55-Q59 VanDerWaalsContact O-N 3.09Å; L56-Q59 WeakPolarHBondContact O-CB 3.5Å; L56-Q59 PolarHBondContact O-N 3.22Å; I57-Q59 PolarHBondContact O-N 2.84Å; Q59-E61 VanDerWaalsContact C-N 3.33Å; Q59-E61 PolarHBondContact O-N 2.78Å; Q59-K62 WeakPolarHBondContact O-CB 3.4Å; Q59-K62 PolarHBondContact O-N 2.95Å; Q59-Y63 PolarHBondContact O-N 3.04Å; Q59-Y63 VanDerWaalsContact O-N 3.08Å
60A85.3Confident75.4Confident3 Ų377.2 Ų77.23%0.02540%0.402CS..Hα-helixtrans-62.4-40174.500000111.8L56 I57 K62 Y63 Y64 L155 L164L56-A60 PolarHBondContact O-N 3.26Å; I57-A60 PolarHBondContact O-N 2.69Å; A60-K62 VanDerWaalsContact C-N 3.3Å; A60-K62 PolarHBondContact O-N 2.76Å; A60-Y63 WeakPolarHBondContact O-CB 3.49Å; A60-Y63 PolarHBondContact O-N 2.88Å; A60-Y63 VanDerWaalsContact O-N 3.14Å; A60-Y64 HydrophobicContact CB-CE2 4.14Å; A60-Y64 WeakPolarHBondContact O-CD2 3.33Å; A60-Y64 VanDerWaalsContact O-CG 3.32Å; A60-Y64 PolarHBondContact O-N 3.48Å; A60-L155 HydrophobicContact CB-CD1 3.71Å; A60-L164 HydrophobicContact CB-CD1 3.93Å
61E85.2Confident73.1Confident68 Ų6877.4 Ų77.432%0.31841%0.412SS..Hα-helixtrans-63.1-34.9176.2-72.4-175.2165.900112.6R49 I57 Q59 Y64 G65 K108R49-E61 IonicContact CZ-OE1 2.74Å; R49-E61 IonicContact NH1-OE1 2.7Å; R49-E61 PolarHBondContact NH1-OE1 3.31Å; I57-E61 WeakPolarHBondContact O-CG 3.35Å; I57-E61 PolarHBondContact O-N 3.44Å; Q59-E61 VanDerWaalsContact C-N 3.33Å; Q59-E61 PolarHBondContact O-N 2.78Å; E61-Y64 PolarHBondContact O-N 3.42Å; E61-G65 PolarHBondContact O-N 3.27Å; E61-K108 IonicContact OE1-NZ 2.92Å; E61-K108 PolarHBondContact OE1-NZ 3.05Å
62K77.7Confident70.6Confident165 Ų16581.4 Ų81.472%0.71743%0.428SS*.Hα-helixtrans-67.1-39.8171.8-70.7177.5-179.2-1720112.5N58 Q59 A60 Y64 G65 S66N58-K62 WeakPolarHBondContact O-CG 3.43Å; N58-K62 PolarHBondContact O-N 2.8Å; Q59-K62 WeakPolarHBondContact O-CB 3.4Å; Q59-K62 PolarHBondContact O-N 2.95Å; A60-K62 VanDerWaalsContact C-N 3.3Å; A60-K62 PolarHBondContact O-N 2.76Å; K62-Y64 VanDerWaalsContact C-N 3.27Å; K62-Y64 PolarHBondContact O-N 3.47Å; K62-G65 PolarHBondContact O-N 3.43Å; K62-S66 PolarHBondContact O-N 3.15Å
63Y71Confident68.1Low84 Ų8490 Ų9033%0.32947%0.468SS..Hα-helixtrans-60.2-39.8176.8-174.1-87000111.4Q59 A60 G65 S66 E166Q59-Y63 PolarHBondContact O-N 3.04Å; Q59-Y63 VanDerWaalsContact O-N 3.08Å; A60-Y63 WeakPolarHBondContact O-CB 3.49Å; A60-Y63 PolarHBondContact O-N 2.88Å; A60-Y63 VanDerWaalsContact O-N 3.14Å; Y63-G65 VanDerWaalsContact C-N 3.35Å; Y63-S66 PolarHBondContact O-OG 3.07Å; Y63-S66 VanDerWaalsContact O-OG 3.1Å; Y63-E166 HydrophobicContact CE1-CG 4.3Å; Y63-E166 HydrophobicContact CE2-CG 4.38Å; Y63-E166 WeakPolarHBondContact CE2-OE1 3.09Å; Y63-E166 PolarHBondContact OH-OE1 3.21Å; Y63-E166 PolarHBondContact OH-OE2 3.07Å; Y63-E166 VanDerWaalsContact OH-OE2 3.08Å
64Y75.3Confident65.6Low44 Ų4492.7 Ų92.717%0.17349%0.486CS..Hα-helixtrans-72.3-26.9176.8-56.6-41.1000113.8A60 E61 K62 E111 K154A60-Y64 HydrophobicContact CB-CE2 4.14Å; A60-Y64 WeakPolarHBondContact O-CD2 3.33Å; A60-Y64 VanDerWaalsContact O-CG 3.32Å; A60-Y64 PolarHBondContact O-N 3.48Å; E61-Y64 PolarHBondContact O-N 3.42Å; K62-Y64 VanDerWaalsContact C-N 3.27Å; K62-Y64 PolarHBondContact O-N 3.47Å; Y64-E111 WeakPolarHBondContact CE2-OE1 3.25Å; Y64-E111 PolarHBondContact OH-OE1 2.95Å; Y64-K154 HydrophobicContact CD1-CD 3.94Å; Y64-K154 HydrophobicContact CE1-CB 4.11Å; Y64-K154 HydrophobicContact CE1-CD 3.34Å; Y64-K154 HydrophobicContact CE1-CG 4.35Å
65G59.3Low63.2Low35 Ų3593 Ų9336%0.36148%0.484SS..Hα-helixtrans-75.6-26.8-179.600000114.1E61 K62 Y63 D67 D68E61-G65 PolarHBondContact O-N 3.27Å; K62-G65 PolarHBondContact O-N 3.43Å; Y63-G65 VanDerWaalsContact C-N 3.35Å; G65-D67 VanDerWaalsContact C-N 3.31Å; G65-D67 PolarHBondContact O-N 3.21Å; G65-D68 PolarHBondContact O-N 3.35Å
66S51.3Low60.8Low48 Ų4895.9 Ų95.934%0.33649%0.49SS..G310 helixtrans-73-21.8-179.3570000113.9K62 Y63 D68 D69 Y70K62-S66 PolarHBondContact O-N 3.15Å; Y63-S66 PolarHBondContact O-OG 3.07Å; Y63-S66 VanDerWaalsContact O-OG 3.1Å; S66-D68 VanDerWaalsContact C-N 3.28Å; S66-D68 PolarHBondContact O-N 3.13Å; S66-D69 PolarHBondContact O-N 3.5Å; S66-Y70 VanDerWaalsContact O-CD2 3.26Å; S66-Y70 WeakPolarHBondContact O-CD2 3.41Å; S66-Y70 WeakPolarHBondContact O-CE2 3.37Å
67D49Very low58.5Low82 Ų82104.1 Ų104.144%0.43953%0.528SS..G310 helixtrans-72-23.4178.3-75.7-18.4000112.4G65G65-D67 VanDerWaalsContact C-N 3.31Å; G65-D67 PolarHBondContact O-N 3.21Å
68D44.2Very low56.4Low127 Ų127110.4 Ų110.468%0.67956%0.56SS**G310 helixtrans-83.5-14.5179-71.9-33.7000113.1G65 S66G65-D68 PolarHBondContact O-N 3.35Å; S66-D68 VanDerWaalsContact C-N 3.28Å; S66-D68 PolarHBondContact O-N 3.13Å
69D38.4Very low54.2Low125 Ų125111.7 Ų111.767%0.66857%0.571SS**THydrogen-bonded Turntrans-88.7-2.9-173-90.1-19.2000114.6S66S66-D69 PolarHBondContact O-N 3.5Å
70Y45.8Very low52.1Low187 Ų187114 Ų11473%0.73359%0.587SS**THydrogen-bonded Turntrans-85.3-6.1-175.4-73.3-71.7000115.7S66S66-Y70 VanDerWaalsContact O-CD2 3.26Å; S66-Y70 WeakPolarHBondContact O-CD2 3.41Å; S66-Y70 WeakPolarHBondContact O-CE2 3.37Å
71D40.7Very low50.1Low122 Ų122119.5 Ų119.565%0.65263%0.626SS**SBendtrans-105.8-8-174.8-78.1-24.2000114.8
72E40Very low48Very low156 Ų156123 Ų12373%0.72965%0.647SS**SBendtrans-83.1-25.1-177.1-95.2-159.1162.800115.1C74 T75E72-C74 PolarHBondContact O-N 3.42Å; E72-T75 PolarHBondContact O-OG1 3Å
73E38.8Very low46.3Very low189 Ų189122 Ų12288%0.88365%0.649SS**THydrogen-bonded Turntrans-81.1-9.9-175.1-80.7-168.7157.500115.3
74C39.3Very low44.7Very low113 Ų113124.9 Ų124.976%0.76467%0.67SS**THydrogen-bonded Turntrans-95.65.9-176.6-140.90000114.6E72E72-C74 PolarHBondContact O-N 3.42Å
75T41.4Very low43.2Very low97 Ų97130.6 Ų130.660%0.59570%0.704SS**SBendtrans-108.7-3.5-174.753.40000115.3E72E72-T75 PolarHBondContact O-OG1 3Å
76N38.3Very low42.2Very low130 Ų130136.3 Ų136.370%0.69573%0.726SS**SBendtrans-97.72.4-173.7-73.2-30.2000115.9
77E43.9Very low41.7Very low188 Ų188141.1 Ų141.188%0.87975%0.748SS**SBendtrans-110.77-177.4-67.3-164157.800115.9
78I47.9Very low41.3Very low150 Ų150142.7 Ų142.777%0.76977%0.766SS**SBendtrans-115.322.4-176.9-43.1-179.4000113
79T41.6Very low41.1Very low115 Ų115146.6 Ų146.671%0.70678%0.776SS**SBendtrans-108.432.6-17943.50000114.2
80N39.7Very low40.9Very low165 Ų165150.4 Ų150.488%0.88279%0.79SS**  trans-148.266.5171.1-91.1-28.9000112.3
81S44.2Very low40.3Very low120 Ų120144.5 Ų144.584%0.83979%0.786SS**  trans-158115.9150.1-158.90000111.6
82N40.7Very low40.1Very low141 Ų141147 Ų14775%0.75480%0.799SS**  trans-53.3135173.4-61-48.8000112.4
83N41.1Very low39.8Very low144 Ų144149 Ų14977%0.7781%0.805SS**  162.3125.5115.3-83.3-31.8000111.3
84N38.6Very low39.8Very low144 Ų144150.3 Ų150.377%0.7780%0.802SS**  trans14.2110.4145.1-61.8-22.1000116.7
85D42.6Very low39.5Very low164 Ų164149.8 Ų149.888%0.87780%0.799SS**  -168.5122.3121.5-92.1-28000110.9N87D85-N87 PolarHBondContact O-N 3.32Å
86N38.3Very low39.6Very low156 Ų156151.4 Ų151.483%0.83480%0.804SS**  trans-72111.3172.4-66.5-45.7000108.4
87N42.1Very low40.3Very low149 Ų149149.4 Ų149.480%0.79780%0.797SS**  trans169.1132.1136.5-86.2-29.7000112.2D85D85-N87 PolarHBondContact O-N 3.32Å
88S40.5Very low41.4Very low115 Ų115144.9 Ų144.980%0.80479%0.792SS**  trans51.785154.561.60000117.7
89K39Very low43Very low208 Ų208140.3 Ų140.390%0.90477%0.768SS**  trans-139.587.7152.1-102.9178.1-179.1171.60109.2G91K89-G91 PolarHBondContact O-N 3.06Å
90E35Very low45.1Very low206 Ų206138.2 Ų138.296%0.96376%0.756SS**  trans-64.187.6157.9-76.7-174.8150.900107.8L92E90-L92 PolarHBondContact O-N 3.46Å
91G33.6Very low47.4Very low62 Ų62137 Ų13764%0.63975%0.745SS**  trans-72.5114.9170.100000109.3K89 K93K89-G91 PolarHBondContact O-N 3.06Å; G91-K93 PolarHBondContact O-N 2.95Å
92L36.5Very low49.4Very low176 Ų176136 Ų13692%0.92173%0.726SS**  trans-60.377.4177.2-162.773.7000110.9E90 R94E90-L92 PolarHBondContact O-N 3.46Å; L92-R94 PolarHBondContact O-N 3.16Å
93K33.9Very low51.8Low196 Ų196132.4 Ų132.485%0.85271%0.705SS**  trans-64111.4164-82.7-176.2174-176.80107.5G91 S95G91-K93 PolarHBondContact O-N 2.95Å; K93-S95 PolarHBondContact O-N 2.74Å
94R37Very low54.1Low217 Ų217132.4 Ų132.482%0.81970%0.695SS**  trans-49111.3167-98.8176.5171.4-178-4.5108L92 N96L92-R94 PolarHBondContact O-N 3.16Å; R94-N96 PolarHBondContact O-N 3.16Å
95S33.6Very low56.5Low102 Ų102126.8 Ų126.871%0.71366%0.664SS**  trans-70.285.1172.4450000108.5K93 T97K93-S95 PolarHBondContact O-N 2.74Å; S95-T97 PolarHBondContact O-N 3.14Å
96N44.7Very low58.8Low132 Ų132120.3 Ų120.371%0.70663%0.628SS**  trans-62.286.4155.4-85.1-4.3000106.6R94 A98R94-N96 PolarHBondContact O-N 3.16Å; N96-A98 PolarHBondContact O-N 3.06Å
97T52.5Low61.4Low87 Ų87113.2 Ų113.253%0.53459%0.59SS.*  trans-54109.1172.645.40000107.6S95 I99S95-T97 PolarHBondContact O-N 3.14Å; T97-I99 PolarHBondContact O-N 2.84Å
98A67.5Low63.8Low93 Ų93109.6 Ų109.677%0.76957%0.567SS**  trans-58.1105.7-177.300000109.2N96 T100N96-A98 PolarHBondContact O-N 3.06Å; A98-T100 PolarHBondContact O-N 3.17Å
99I79.5Confident66.3Low54 Ų54105.4 Ų105.428%0.27754%0.535SS..  trans-64.4119178.9-60.9177.1000107.3T97 Q103 R104 L107 L141 T142T97-I99 PolarHBondContact O-N 2.84Å; I99-Q103 HydrophobicContact CG2-CB 3.62Å; I99-R104 HydrophobicContact CG2-CB 4.08Å; I99-L107 HydrophobicContact CD1-CD1 4.17Å; I99-L107 HydrophobicContact CG2-CD1 3.99Å; I99-L141 HydrophobicContact CD1-CB 4.39Å; I99-T142 HydrophobicContact CD1-CG2 4.48Å; I99-T142 HydrophobicContact CG1-CG2 4.05Å
100T87.5Confident69Low72 Ų7296 Ų9644%0.44249%0.494SS..  trans-64.3154.917868.90000110.3A98 Q102 Q103 R104A98-T100 PolarHBondContact O-N 3.17Å; T100-Q102 PolarHBondContact O-N 2.79Å; T100-Q103 VanDerWaalsContact N-OE1 3.07Å; T100-Q103 WeakPolarHBondContact O-CB 3.31Å; T100-Q103 PolarHBondContact O-N 3.21Å; T100-Q103 VanDerWaalsContact OG1-CG 3.27Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.36Å; T100-Q103 PolarHBondContact OG1-N 2.89Å; T100-R104 PolarHBondContact O-N 3.42Å
101E86.3Confident71.8Confident140 Ų14086.3 Ų86.365%0.65445%0.448SS*.Hα-helixtrans-55.6-38.7178.7-167-179174.800111.8R104 H105 I423E101-R104 WeakPolarHBondContact O-CB 3.49Å; E101-R104 PolarHBondContact O-N 2.9Å; E101-H105 PolarHBondContact O-N 3.4Å; E101-I423 HydrophobicContact CB-CD1 4.23Å; E101-I423 HydrophobicContact CG-CD1 3.84Å
102Q87.3Confident74.8Confident97 Ų9783.3 Ų83.345%0.45342%0.418SS..Hα-helixtrans-64-40.2175-168.6-179.915.200113T100 Q106 I423T100-Q102 PolarHBondContact O-N 2.79Å; Q102-Q106 WeakPolarHBondContact O-CG 3.46Å; Q102-Q106 PolarHBondContact O-N 2.82Å; Q102-Q106 VanDerWaalsContact O-N 3.08Å; Q102-I423 HydrophobicContact CB-CD1 4.22Å
103Q90.3Very high77.6Confident67 Ų6775 Ų7531%0.31337%0.374SS..Hα-helixtrans-66.5-42174.2-74.2172.3-21.900110.9I99 T100 H105 Q106 L107 L145I99-Q103 HydrophobicContact CG2-CB 3.62Å; T100-Q103 VanDerWaalsContact N-OE1 3.07Å; T100-Q103 WeakPolarHBondContact O-CB 3.31Å; T100-Q103 PolarHBondContact O-N 3.21Å; T100-Q103 VanDerWaalsContact OG1-CG 3.27Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.36Å; T100-Q103 PolarHBondContact OG1-N 2.89Å; Q103-H105 VanDerWaalsContact C-N 3.34Å; Q103-H105 PolarHBondContact O-N 3.06Å; Q103-Q106 PolarHBondContact O-N 3.42Å; Q103-L107 WeakPolarHBondContact O-CB 3.14Å; Q103-L107 VanDerWaalsContact O-CG 3.26Å; Q103-L107 WeakPolarHBondContact O-CG 3.23Å; Q103-L107 PolarHBondContact O-N 3.02Å; Q103-L145 HydrophobicContact CB-CD1 3.72Å; Q103-L145 HydrophobicContact CG-CD1 3.76Å
104R89.1Confident80.5Confident144 Ų14466.9 Ų66.954%0.54334%0.34SS..Hα-helixtrans-59.1-44.9175.8-173.7-179.1-76.6144.5-6.4111.1I99 T100 E101 L107 K108I99-R104 HydrophobicContact CG2-CB 4.08Å; T100-R104 PolarHBondContact O-N 3.42Å; E101-R104 WeakPolarHBondContact O-CB 3.49Å; E101-R104 PolarHBondContact O-N 2.9Å; R104-L107 WeakPolarHBondContact O-CB 3.08Å; R104-L107 PolarHBondContact O-N 3.46Å; R104-K108 WeakPolarHBondContact O-CG 3.45Å; R104-K108 PolarHBondContact O-N 3.08Å
105H90Very high83.2Confident26 Ų2656.7 Ų56.712%0.1230%0.302CS..Hα-helixtrans-56.5-49.8173.4176.365.2000112.3E101 Q103 L107 K108 H109 L420 I423 E427E101-H105 PolarHBondContact O-N 3.4Å; Q103-H105 VanDerWaalsContact C-N 3.34Å; Q103-H105 PolarHBondContact O-N 3.06Å; H105-L107 VanDerWaalsContact C-N 3.29Å; H105-L107 PolarHBondContact O-N 3.11Å; H105-K108 WeakPolarHBondContact O-CB 3.26Å; H105-K108 PolarHBondContact O-N 2.81Å; H105-H109 AromaticContact CD2-NE2 3.74Å; H105-H109 AromaticContact CE1-CE1 3.51Å; H105-H109 AromaticContact CE1-NE2 3.13Å; H105-H109 PolarHBondContact CE1-NE2 3.41Å; H105-H109 AromaticContact ND1-NE2 3.78Å; H105-H109 AromaticContact NE2-CD2 3.98Å; H105-H109 AromaticContact NE2-CE1 3.92Å; H105-H109 AromaticContact NE2-NE2 3.08Å; H105-H109 PolarHBondContact NE2-NE2 3.14Å; H105-H109 PolarHBondContact O-N 3.42Å; H105-L420 PolarHBondContact NE2-O 3.25Å; H105-I423 HydrophobicContact CB-CD1 4.03Å; H105-I423 HydrophobicContact CB-CG1 3.72Å; H105-E427 IonicContact CE1-OE1 2.64Å; H105-E427 IonicContact CE1-OE2 3Å
106Q91.8Very high85.9Confident28 Ų2861.1 Ų61.113%0.13130%0.303CS..Hα-helixtrans-65.7-31.4178.5-68.1176.828.400113Q102 Q103 H109 R110 L145 K421Q102-Q106 WeakPolarHBondContact O-CG 3.46Å; Q102-Q106 PolarHBondContact O-N 2.82Å; Q102-Q106 VanDerWaalsContact O-N 3.08Å; Q103-Q106 PolarHBondContact O-N 3.42Å; Q106-H109 PolarHBondContact O-N 3.46Å; Q106-R110 PolarHBondContact O-N 3.25Å; Q106-L145 HydrophobicContact CB-CD2 3.63Å; Q106-K421 HydrophobicContact CG-CG 4.38Å
107L92.3Very high88.3Confident7 Ų758 Ų584%0.03728%0.284CS..Hα-helixtrans-68.6-36.9174.5-74.7168.1000112.2I99 Q103 R104 H105 H109 R110 E111 L141 L145 Y152I99-L107 HydrophobicContact CD1-CD1 4.17Å; I99-L107 HydrophobicContact CG2-CD1 3.99Å; Q103-L107 WeakPolarHBondContact O-CB 3.14Å; Q103-L107 VanDerWaalsContact O-CG 3.26Å; Q103-L107 WeakPolarHBondContact O-CG 3.23Å; Q103-L107 PolarHBondContact O-N 3.02Å; R104-L107 WeakPolarHBondContact O-CB 3.08Å; R104-L107 PolarHBondContact O-N 3.46Å; H105-L107 VanDerWaalsContact C-N 3.29Å; H105-L107 PolarHBondContact O-N 3.11Å; L107-H109 PolarHBondContact O-N 3.05Å; L107-R110 PolarHBondContact O-N 3.1Å; L107-R110 VanDerWaalsContact O-N 3.07Å; L107-E111 PolarHBondContact O-N 2.76Å; L107-L141 HydrophobicContact CD1-CB 3.83Å; L107-L141 HydrophobicContact CD2-CB 4.08Å; L107-L141 WeakPolarHBondContact CD2-O 3.46Å; L107-L145 HydrophobicContact CD1-CD1 4.49Å; L107-L145 HydrophobicContact CD2-CD1 4.3Å; L107-L145 HydrophobicContact CD2-CD2 3.93Å; L107-L145 HydrophobicContact CD2-CG 3.8Å; L107-L145 HydrophobicContact CG-CD1 4.07Å; L107-L145 HydrophobicContact CG-CD2 4.04Å; L107-L145 HydrophobicContact CG-CG 4.06Å; L107-Y152 HydrophobicContact CD2-CE1 4.46Å; L107-Y152 PolarHBondContact O-OH 3.26Å
108K92.4Very high90.2Very high73 Ų7356.9 Ų56.932%0.31728%0.277SS..Hα-helixtrans-59.5-35.1173.3-69.1-171.1-174.8-158.50111.6R49 E61 R104 H105 R110 E111R49-K108 WeakPolarHBondContact CD-O 3.29Å; E61-K108 IonicContact OE1-NZ 2.92Å; E61-K108 PolarHBondContact OE1-NZ 3.05Å; R104-K108 WeakPolarHBondContact O-CG 3.45Å; R104-K108 PolarHBondContact O-N 3.08Å; H105-K108 WeakPolarHBondContact O-CB 3.26Å; H105-K108 PolarHBondContact O-N 2.81Å; K108-R110 VanDerWaalsContact C-N 3.29Å; K108-R110 PolarHBondContact O-N 3.43Å; K108-E111 PolarHBondContact O-N 3.09Å
109H93.5Very high91.6Very high27 Ų2755 Ų5513%0.12525%0.253CS..Hα-helixtrans-72.8-19.9176.7-62.2-33.6000114.3H105 Q106 L107 L420 E427H105-H109 AromaticContact CD2-NE2 3.74Å; H105-H109 AromaticContact CE1-CE1 3.51Å; H105-H109 AromaticContact CE1-NE2 3.13Å; H105-H109 PolarHBondContact CE1-NE2 3.41Å; H105-H109 AromaticContact ND1-NE2 3.78Å; H105-H109 AromaticContact NE2-CD2 3.98Å; H105-H109 AromaticContact NE2-CE1 3.92Å; H105-H109 AromaticContact NE2-NE2 3.08Å; H105-H109 PolarHBondContact NE2-NE2 3.14Å; H105-H109 PolarHBondContact O-N 3.42Å; Q106-H109 PolarHBondContact O-N 3.46Å; L107-H109 PolarHBondContact O-N 3.05Å; H109-L420 PolarHBondContact NE2-O 3.31Å; H109-E427 IonicContact CE1-OE1 3.76Å; H109-E427 IonicContact NE2-OE1 3.3Å
110R94.7Very high92.3Very high10 Ų1056.1 Ų56.14%0.03826%0.264CS..Hα-helixtrans-95.5-7.1178.8-69179.6-178.9-113.919.7113.3Q106 L107 K108 Y144 L145 R147 A150 F151 Y152 Y417Q106-R110 PolarHBondContact O-N 3.25Å; L107-R110 PolarHBondContact O-N 3.1Å; L107-R110 VanDerWaalsContact O-N 3.07Å; K108-R110 VanDerWaalsContact C-N 3.29Å; K108-R110 PolarHBondContact O-N 3.43Å; R110-Y144 PolarHBondContact NE-O 3.4Å; R110-Y144 PolarHBondContact NH1-O 3.34Å; R110-Y144 PolarHBondContact NH2-O 3.14Å; R110-L145 PolarHBondContact NH2-O 3.2Å; R110-R147 PolarHBondContact NH1-O 3.43Å; R110-R147 PolarHBondContact NH2-O 3.2Å; R110-R147 VanDerWaalsContact NH2-O 3.17Å; R110-A150 WeakPolarHBondContact CD-O 3.39Å; R110-A150 PolarHBondContact NH1-O 3.1Å; R110-F151 HydrophobicContact CB-CD1 4.38Å; R110-F151 VanDerWaalsContact O-CA 3.24Å; R110-F151 WeakPolarHBondContact O-CA 3.29Å; R110-F151 WeakPolarHBondContact O-CB 3.38Å; R110-F151 WeakPolarHBondContact O-CD1 3.2Å; R110-Y152 HydrophobicContact CB-CD1 4.37Å; R110-Y152 HydrophobicContact CB-CE1 4.22Å; R110-Y152 PolarHBondContact O-N 3.45Å; R110-Y417 HydrophobicContact CG-CD1 4.07Å; R110-Y417 HydrophobicContact CG-CE1 3.99Å
111E94.8Very high92.6Very high2 Ų254.6 Ų54.61%0.00925%0.253CS..EExtended strand (participates in β ladder)trans-81.2133.7175.4-170.3-179.6177.900111.5R49 Y64 L107 K108 Y152R49-E111 IonicContact CZ-OE2 3.52Å; R49-E111 IonicContact NE-OE2 2.67Å; R49-E111 PolarHBondContact NE-OE2 2.81Å; R49-E111 IonicContact NH2-OE1 3.07Å; R49-E111 IonicContact NH2-OE2 3.22Å; R49-E111 PolarHBondContact NH2-OE2 3.39Å; Y64-E111 WeakPolarHBondContact CE2-OE1 3.25Å; Y64-E111 PolarHBondContact OH-OE1 2.95Å; L107-E111 PolarHBondContact O-N 2.76Å; K108-E111 PolarHBondContact O-N 3.09Å; E111-Y152 CarbonylContact C-O 3.22Å; E111-Y152 WeakPolarHBondContact CA-O 3.38Å; E111-Y152 HydrophobicContact CB-CE1 4.19Å; E111-Y152 HydrophobicContact CB-CE2 4.11Å; E111-Y152 HydrophobicContact CG-CE2 3.88Å
112L95.8Very high93.1Very high0 Ų050.3 Ų50.30%024%0.238CC..EExtended strand (participates in β ladder)trans-125.1160.3174.5-57.4175.3000110.4I25 Y46 Y47 R48 V132 F151 Y152 Y153I25-L112 HydrophobicContact CB-CD1 4.06Å; I25-L112 HydrophobicContact CD1-CD1 3.7Å; I25-L112 HydrophobicContact CD1-CD2 3.69Å; I25-L112 HydrophobicContact CD1-CG 4.28Å; I25-L112 HydrophobicContact CG1-CD1 4.48Å; I25-L112 HydrophobicContact CG2-CD1 3.68Å; Y46-L112 HydrophobicContact CD1-CB 4.09Å; Y46-L112 HydrophobicContact CD1-CD1 4.23Å; Y46-L112 HydrophobicContact CG-CD1 4.41Å; Y47-L112 CarbonylContact O-C 3.59Å; Y47-L112 WeakPolarHBondContact O-CA 3.35Å; R48-L112 HydrophobicContact CG-CD2 3.83Å; L112-V132 HydrophobicContact CD1-CG1 4.03Å; L112-V132 HydrophobicContact CD1-CG2 3.93Å; L112-F151 HydrophobicContact CD1-CB 3.57Å; L112-F151 HydrophobicContact CD1-CD1 4.04Å; L112-F151 HydrophobicContact CD1-CG 3.85Å; L112-F151 HydrophobicContact CD2-CD1 4.22Å; L112-F151 HydrophobicContact CG-CB 4.04Å; L112-F151 HydrophobicContact CG-CD1 4.06Å; L112-F151 HydrophobicContact CG-CG 4.32Å; L112-Y152 PolarHBondContact N-O 2.92Å; L112-Y153 VanDerWaalsContact O-CA 3.28Å; L112-Y153 WeakPolarHBondContact O-CA 3.11Å; L112-Y153 WeakPolarHBondContact O-CB 3.39Å
113F95.3Very high93.4Very high0 Ų045.9 Ų45.90%022%0.217CC..EExtended strand (participates in β ladder)trans-115.3120.8172.1-59.2-88.5000108.7Y46 Y47 R49 V52 I57 S115 L155 L164Y46-F113 WeakPolarHBondContact CA-O 3.31Å; Y47-F113 PolarHBondContact N-O 3.37Å; Y47-F113 PolarHBondContact O-N 3Å; R49-F113 HydrophobicContact CG-CE2 3.86Å; R49-F113 HydrophobicContact CG-CZ 4.4Å; V52-F113 HydrophobicContact CG2-CD2 3.84Å; V52-F113 HydrophobicContact CG2-CE2 4.31Å; V52-F113 HydrophobicContact CG2-CG 4.23Å; I57-F113 HydrophobicContact CD1-CE2 3.65Å; I57-F113 HydrophobicContact CD1-CZ 3.51Å; F113-S115 PolarHBondContact O-N 2.82Å; F113-L155 HydrophobicContact CD1-CB 3.95Å; F113-L155 HydrophobicContact CE1-CB 4.19Å; F113-L155 HydrophobicContact CE1-CD1 4.19Å; F113-L164 HydrophobicContact CD1-CD1 4.44Å; F113-L164 HydrophobicContact CD1-CD2 3.44Å; F113-L164 VanDerWaalsContact CD1-CD2 3.44Å; F113-L164 HydrophobicContact CE1-CD1 3.99Å; F113-L164 HydrophobicContact CE1-CD2 3.85Å; F113-L164 HydrophobicContact CG-CD2 4.22Å
114L94.5Very high93.5Very high27 Ų2747 Ų4714%0.14123%0.229CC..EExtended strand (participates in β ladder)trans-67.6131.3176.6168.260.9000109.1Y46 Y153 L155 I156 Y157Y46-L114 HydrophobicContact CD1-CB 4.46Å; Y46-L114 HydrophobicContact CE1-CB 4.02Å; Y46-L114 HydrophobicContact CE1-CD1 3.91Å; Y46-L114 HydrophobicContact CE2-CD1 4.06Å; L114-Y153 HydrophobicContact CB-CD2 3.74Å; L114-Y153 HydrophobicContact CB-CE2 3.97Å; L114-Y153 HydrophobicContact CB-CG 4.34Å; L114-Y153 HydrophobicContact CD2-CD2 4.42Å; L114-Y153 HydrophobicContact CD2-CE2 3.79Å; L114-L155 PolarHBondContact N-O 3.15Å; L114-I156 HydrophobicContact CD2-CG1 4.32Å; L114-I156 CarbonylContact O-C 3.58Å; L114-I156 VanDerWaalsContact O-CA 3.23Å; L114-I156 WeakPolarHBondContact O-CA 3.43Å; L114-I156 WeakPolarHBondContact O-CG2 3.34Å; L114-Y157 PolarHBondContact O-N 2.59Å
115S94.3Very high93.7Very high3 Ų343.5 Ų43.52%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-114.7150171.2-171.50000111.9C45 F113 Q117 Y157 P159C45-S115 WeakPolarHBondContact O-CB 3.49Å; C45-S115 PolarHBondContact O-N 3.41Å; C45-S115 VanDerWaalsContact O-N 3.08Å; F113-S115 PolarHBondContact O-N 2.82Å; S115-Q117 PolarHBondContact O-N 3.23Å; S115-Q117 PolarHBondContact OG-N 3.4Å; S115-Y157 WeakPolarHBondContact CA-O 3.5Å; S115-Y157 PolarHBondContact OG-O 2.8Å; S115-P159 VanDerWaalsContact OG-CD 3.23Å; S115-P159 WeakPolarHBondContact OG-CD 3.36Å
116R89.9Confident94Very high194 Ų19442.4 Ų42.473%0.73221%0.214SC*.EExtended strand (participates in β ladder)trans-78-4.6169.9-63.7-177.9-179.7167.32.5112.9
117Q94.1Very high94Very high66 Ų6644 Ų4431%0.30822%0.218SC..EExtended strand (participates in β ladder)trans-68.2130.7175.4-176.6169.7-10.100110.7C45 Y47 S115 E119 P159C45-Q117 HydrophobicContact CB-CB 4.44Å; C45-Q117 PolarHBondContact N-O 3.08Å; C45-Q117 VanDerWaalsContact N-O 3.08Å; Y47-Q117 PolarHBondContact OH-OE1 3.06Å; S115-Q117 PolarHBondContact O-N 3.23Å; S115-Q117 PolarHBondContact OG-N 3.4Å; Q117-E119 HydrophobicContact CG-CG 4.43Å; Q117-E119 PolarHBondContact NE2-OE1 3.43Å; Q117-P159 HydrophobicContact CB-CG 4.28Å; Q117-P159 VanDerWaalsContact OE1-CG 3.22Å
118V94.4Very high94Very high65 Ų6544.3 Ų44.339%0.39422%0.224SC..EExtended strand (participates in β ladder)trans-121.9132.4176.8-179.40000108.5K42 V43K42-V118 HydrophobicContact CD-CG1 4.08Å; K42-V118 HydrophobicContact CG-CG1 3.4Å; K42-V118 VanDerWaalsContact CG-CG1 3.4Å; V43-V118 WeakPolarHBondContact O-CA 3.43Å
119E95.1Very high94.1Very high53 Ų5344 Ų4425%0.24822%0.223CC..EExtended strand (participates in β ladder)trans-122.4153.6178.8-68.7175.3-167.900110.4R26 K42 V43 Q117 L121R26-E119 IonicContact CZ-OE2 2.7Å; R26-E119 VanDerWaalsContact NH1-CD 3.35Å; R26-E119 IonicContact NH1-OE2 3.6Å; R26-E119 PolarHBondContact NH1-OE2 3.44Å; R26-E119 IonicContact NH2-OE2 3.62Å; R26-E119 PolarHBondContact NH2-OE2 2.84Å; K42-E119 CarbonylContact C-O 3.55Å; K42-E119 WeakPolarHBondContact CA-O 3.29Å; V43-E119 HydrophobicContact CG2-CB 4.38Å; V43-E119 VanDerWaalsContact CG2-O 3.27Å; V43-E119 WeakPolarHBondContact CG2-O 3.49Å; V43-E119 PolarHBondContact N-O 2.85Å; V43-E119 PolarHBondContact O-N 3.49Å; Q117-E119 HydrophobicContact CG-CG 4.43Å; Q117-E119 PolarHBondContact NE2-OE1 3.43Å; E119-L121 HydrophobicContact CB-CG 4.33Å
120C94.8Very high94.2Very high77 Ų7743.5 Ų43.552%0.5222%0.222SC..EExtended strand (participates in β ladder)trans-108.9117.1170.3-69.60000108.2A41A41-C120 WeakPolarHBondContact O-CA 3.5Å
121L95Very high94.3Very high40 Ų4045.7 Ų45.721%0.20924%0.239CC..EExtended strand (participates in β ladder)trans-132152.7-176.7-61.7174000110.6F15 R26 A41 V43 E119 A123F15-L121 HydrophobicContact CD1-CB 4.45Å; F15-L121 HydrophobicContact CD1-CD1 3.71Å; F15-L121 HydrophobicContact CE1-CB 3.36Å; F15-L121 HydrophobicContact CE1-CD1 3.42Å; F15-L121 VanDerWaalsContact CE1-CD1 3.42Å; F15-L121 HydrophobicContact CE1-CG 4.02Å; F15-L121 HydrophobicContact CZ-CB 3.5Å; F15-L121 HydrophobicContact CZ-CD1 4.1Å; F15-L121 HydrophobicContact CZ-CG 4.45Å; R26-L121 VanDerWaalsContact CZ-CD1 3.46Å; A41-L121 PolarHBondContact N-O 3.3Å; A41-L121 PolarHBondContact O-N 3.26Å; V43-L121 HydrophobicContact CG2-CD1 4.3Å; E119-L121 HydrophobicContact CB-CG 4.33Å; L121-A123 PolarHBondContact O-N 3.03Å
122P95Very high94.4Very high51 Ų5146 Ų4633%0.33124%0.24SC..EExtended strand (participates in β ladder)trans-57.2131.4176-24.734.6000111.6F15 T124 H125F15-P122 WeakPolarHBondContact CZ-O 3.47Å; P122-T124 PolarHBondContact O-N 3.29Å; P122-T124 VanDerWaalsContact O-N 3.14Å; P122-H125 PolarHBondContact O-N 3.07Å; P122-H125 VanDerWaalsContact O-N 3.16Å
123A93.9Very high94.3Very high3 Ų348.5 Ų48.53%0.02526%0.256CS..G310 helixtrans-60.8-27.6-179.600000111.7V39 L121 H125 I126 I360V39-A123 HydrophobicContact CB-CB 4.12Å; V39-A123 HydrophobicContact CG1-CB 4.01Å; V39-A123 VanDerWaalsContact O-CB 3.26Å; V39-A123 WeakPolarHBondContact O-CB 3.42Å; V39-A123 PolarHBondContact O-N 3.08Å; L121-A123 PolarHBondContact O-N 3.03Å; A123-H125 PolarHBondContact O-N 3.45Å; A123-I126 HydrophobicContact CB-CD1 4.47Å; A123-I126 WeakPolarHBondContact O-CB 3.48Å; A123-I126 VanDerWaalsContact O-CG1 3.31Å; A123-I126 WeakPolarHBondContact O-CG1 3.08Å; A123-I126 PolarHBondContact O-N 3.26Å; A123-I360 HydrophobicContact CB-CD1 4.18Å; A123-I360 WeakPolarHBondContact O-CD1 3.5Å
124T93.1Very high94.2Very high91 Ų9150.8 Ų50.856%0.55827%0.268SS*.G310 helixtrans-57.7-15.4177.254.90000114.8P122 I126P122-T124 PolarHBondContact O-N 3.29Å; P122-T124 VanDerWaalsContact O-N 3.14Å; T124-I126 VanDerWaalsContact C-N 3.31Å
125H94.1Very high94Very high70 Ų7050.2 Ų50.232%0.32427%0.265SS..G310 helixtrans-80.8-9.6176-70.3-175.7000113.5F15 E16 P122 A123F15-H125 HydrophobicContact CD1-CB 3.57Å; F15-H125 HydrophobicContact CE1-CB 3.21Å; F15-H125 AromaticContact CE1-CG 3.97Å; F15-H125 AromaticContact CE1-ND1 3.93Å; F15-H125 HydrophobicContact CG-CB 4.45Å; F15-H125 HydrophobicContact CZ-CB 3.85Å; E16-H125 PolarHBondContact N-O 2.77Å; P122-H125 PolarHBondContact O-N 3.07Å; P122-H125 VanDerWaalsContact O-N 3.16Å; A123-H125 PolarHBondContact O-N 3.45Å
126I95Very high93.6Very high4 Ų454 Ų542%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-73.4127.9177.9-61.3166.4000110.2Y7 V13 Y14 F15 I28 A123 T124 I360Y7-I126 HydrophobicContact CD1-CG2 3.65Å; Y7-I126 HydrophobicContact CD2-CG2 4.4Å; Y7-I126 HydrophobicContact CE1-CG2 3.23Å; Y7-I126 HydrophobicContact CE2-CG2 4.07Å; Y7-I126 HydrophobicContact CG-CG2 4.2Å; Y7-I126 VanDerWaalsContact CZ-CG2 3.46Å; V13-I126 HydrophobicContact CB-CG1 4.49Å; V13-I126 HydrophobicContact CB-CG2 3.82Å; V13-I126 HydrophobicContact CG1-CG2 3.91Å; V13-I126 HydrophobicContact CG2-CD1 4.4Å; V13-I126 HydrophobicContact CG2-CG1 4.2Å; V13-I126 HydrophobicContact CG2-CG2 4.45Å; Y14-I126 WeakPolarHBondContact O-CA 3.37Å; F15-I126 HydrophobicContact CD2-CG1 3.67Å; F15-I126 HydrophobicContact CE2-CD1 4.03Å; F15-I126 HydrophobicContact CE2-CG1 3.33Å; F15-I126 HydrophobicContact CZ-CG1 4.17Å; I28-I126 HydrophobicContact CD1-CD1 3.95Å; A123-I126 HydrophobicContact CB-CD1 4.47Å; A123-I126 WeakPolarHBondContact O-CB 3.48Å; A123-I126 VanDerWaalsContact O-CG1 3.31Å; A123-I126 WeakPolarHBondContact O-CG1 3.08Å; A123-I126 PolarHBondContact O-N 3.26Å; T124-I126 VanDerWaalsContact C-N 3.31Å; I126-I360 HydrophobicContact CB-CD1 3.77Å; I126-I360 HydrophobicContact CD1-CD1 3.82Å; I126-I360 HydrophobicContact CG1-CD1 4.26Å; I126-I360 HydrophobicContact CG2-CD1 4.4Å
127R92.4Very high93.2Very high60 Ų6050.2 Ų50.223%0.22628%0.279CS..EExtended strand (participates in β ladder)trans-113.5-10.5-176.1-55.9-49.9174.3109.40115.2Y14 E16 Y23Y14-R127 PolarHBondContact O-N 3.11Å; E16-R127 HydrophobicContact CB-CG 3.8Å; E16-R127 IonicContact OE2-CZ 2.66Å; E16-R127 IonicContact OE2-NE 2.77Å; E16-R127 IonicContact OE2-NH1 3.09Å; E16-R127 PolarHBondContact OE2-NH1 3.36Å; E16-R127 VanDerWaalsContact OE2-NH1 3.09Å; E16-R127 IonicContact OE2-NH2 2.64Å; E16-R127 PolarHBondContact OE2-NH2 3.09Å; Y23-R127 HydrophobicContact CD1-CG 4.45Å; Y23-R127 HydrophobicContact CE1-CB 4.05Å; Y23-R127 HydrophobicContact CE1-CG 3.86Å; Y23-R127 HydrophobicContact CE2-CB 4.5Å
128G93.2Very high92.7Very high15 Ų1551.2 Ų51.216%0.15530%0.298CS..EExtended strand (participates in β ladder)trans174170179.100000111.4Y7 V13 Y14Y7-G128 WeakPolarHBondContact OH-CA 3.17Å; Y7-G128 PolarHBondContact OH-N 3Å; V13-G128 WeakPolarHBondContact CA-O 3.2Å; Y14-G128 PolarHBondContact N-O 3.46Å
129K94.4Very high92.2Very high66 Ų6652 Ų5229%0.28730%0.298SS..EExtended strand (participates in β ladder)trans-91.9161.7171.9-60.9-168.8-173.9-166.70110.3M6 Y7 D11 F12 Y14 E149M6-K129 WeakPolarHBondContact O-CE 3.41Å; M6-K129 PolarHBondContact O-NZ 3.02Å; Y7-K129 HydrophobicContact CD1-CD 4.42Å; Y7-K129 HydrophobicContact CD1-CG 3.81Å; Y7-K129 HydrophobicContact CE1-CG 3.6Å; D11-K129 WeakPolarHBondContact OD2-CE 3.42Å; D11-K129 IonicContact OD2-NZ 3.8Å; D11-K129 PolarHBondContact OD2-NZ 3.13Å; F12-K129 CarbonylContact O-C 3.59Å; F12-K129 WeakPolarHBondContact O-CA 3.48Å; Y14-K129 VanDerWaalsContact CE2-O 3.31Å; Y14-K129 WeakPolarHBondContact CE2-O 3.42Å; K129-E149 VanDerWaalsContact O-OE2 3.09Å
130C95.6Very high91.9Very high16 Ų1652.6 Ų52.611%0.10831%0.306CS..EExtended strand (participates in β ladder)trans-145.917516858.60000108.7F12 Y14 E149 F151F12-C130 WeakPolarHBondContact CB-O 3.46Å; F12-C130 PolarHBondContact O-N 2.9Å; Y14-C130 HydrophobicContact CD2-CB 4.43Å; Y14-C130 HydrophobicContact CE1-CB 4.02Å; Y14-C130 HydrophobicContact CE2-CB 3.86Å; C130-E149 HydrophobicContact CB-CB 4.31Å; C130-F151 HydrophobicContact CB-CD2 4.19Å; C130-F151 HydrophobicContact CB-CE2 3.97Å
131S96.1Very high91.6Very high57 Ų5751 Ų5140%0.39929%0.292SS..EExtended strand (participates in β ladder)trans-116.2130.4173.3-174.80000109.4E149 A150 F151S131-E149 PolarHBondContact N-O 3.37Å; S131-A150 WeakPolarHBondContact O-CA 3.37Å; S131-F151 PolarHBondContact O-N 3.39Å
132V96.5Very high91.4Very high7 Ų750.4 Ų50.44%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-128121.6174.8-1730000107.7F12 I25 Y46 L112 F151 Y153F12-V132 HydrophobicContact CB-CG2 3.93Å; F12-V132 HydrophobicContact CD1-CB 3.64Å; F12-V132 HydrophobicContact CD1-CG2 3.54Å; F12-V132 HydrophobicContact CD2-CB 4.18Å; F12-V132 HydrophobicContact CD2-CG2 4.46Å; F12-V132 HydrophobicContact CE1-CB 3.7Å; F12-V132 HydrophobicContact CE1-CG1 4.34Å; F12-V132 HydrophobicContact CE1-CG2 4.12Å; F12-V132 HydrophobicContact CE2-CB 4.25Å; F12-V132 VanDerWaalsContact CE2-O 3.32Å; F12-V132 WeakPolarHBondContact CE2-O 3.43Å; F12-V132 HydrophobicContact CG-CB 3.88Å; F12-V132 HydrophobicContact CG-CG2 3.74Å; F12-V132 HydrophobicContact CZ-CB 4.01Å; F12-V132 WeakPolarHBondContact CZ-O 3.32Å; I25-V132 HydrophobicContact CG2-CG2 3.79Å; Y46-V132 HydrophobicContact CD1-CG1 4.1Å; Y46-V132 HydrophobicContact CE1-CG1 3.81Å; L112-V132 HydrophobicContact CD1-CG1 4.03Å; L112-V132 HydrophobicContact CD1-CG2 3.93Å; V132-F151 WeakPolarHBondContact CA-O 3.47Å; V132-F151 HydrophobicContact CG1-CB 4.46Å; V132-F151 HydrophobicContact CG2-CB 4.15Å; V132-Y153 HydrophobicContact CG1-CD1 3.91Å; V132-Y153 HydrophobicContact CG1-CE1 4.43Å
133T94.5Very high91.2Very high54 Ų5450.8 Ų50.833%0.33129%0.29SS..EExtended strand (participates in β ladder)trans-123150.5178.151.70000111.1H135 Y144 F151 Y152 Y153T133-H135 PolarHBondContact O-N 3.43Å; T133-Y144 WeakPolarHBondContact OG1-CE1 3.41Å; T133-Y144 PolarHBondContact OG1-OH 2.94Å; T133-F151 PolarHBondContact N-O 3.43Å; T133-F151 VanDerWaalsContact N-O 3.13Å; T133-Y152 WeakPolarHBondContact O-CA 3.49Å; T133-Y153 WeakPolarHBondContact O-CD1 3.32Å; T133-Y153 PolarHBondContact O-N 3.09Å
134L92.6Very high91.1Very high47 Ų4751 Ų5125%0.24629%0.29CS..EExtended strand (participates in β ladder)trans-64.8129.3166.5178.667.1000107.3N136 Y153L134-N136 PolarHBondContact O-N 2.87Å; L134-Y153 HydrophobicContact CB-CE1 3.99Å; L134-Y153 HydrophobicContact CB-CE2 4.47Å; L134-Y153 HydrophobicContact CD1-CD2 4.04Å; L134-Y153 HydrophobicContact CD1-CE2 3.61Å
135H89.6Confident91Very high16 Ų1648.2 Ų48.27%0.07427%0.271CS..  trans-68.1134.7176179.781.7000110.3T133 D137 E139 Y144 Y152 Y153 K154T133-H135 PolarHBondContact O-N 3.43Å; H135-D137 IonicContact CD2-OD1 2.79Å; H135-D137 PolarHBondContact CD2-OD1 3.21Å; H135-D137 VanDerWaalsContact CD2-OD1 3.31Å; H135-D137 IonicContact NE2-OD1 3Å; H135-E139 PolarHBondContact CE1-O 3.02Å; H135-Y144 AromaticContact ND1-CE2 3.63Å; H135-Y152 HydrophobicContact CB-CD2 3.89Å; H135-Y152 HydrophobicContact CB-CG 4.43Å; H135-Y153 PolarHBondContact N-O 3.23Å; H135-K154 HydrophobicContact CB-CG 3.73Å; H135-K154 WeakPolarHBondContact CD2-CE 3.33Å; H135-K154 PolarHBondContact CD2-NZ 3.44Å; H135-K154 PolarHBondContact NE2-NZ 3.22Å
136N86.6Confident90.9Very high81 Ų8150.7 Ų50.743%0.43329%0.291SS..  trans-106.2121.5173.7-1788.5000107.7L134 A138 E139L134-N136 PolarHBondContact O-N 2.87Å; N136-A138 PolarHBondContact O-N 3.03Å; N136-A138 PolarHBondContact OD1-N 2.87Å; N136-E139 PolarHBondContact O-N 2.91Å
137D82Confident90.7Very high116 Ų11657.6 Ų57.662%0.6232%0.317SS*.THydrogen-bonded Turntrans-65.5-12.8-174.1-54.6-49.7000113.1H135 E139 K154H135-D137 IonicContact CD2-OD1 2.79Å; H135-D137 PolarHBondContact CD2-OD1 3.21Å; H135-D137 VanDerWaalsContact CD2-OD1 3.31Å; H135-D137 IonicContact NE2-OD1 3Å; D137-E139 VanDerWaalsContact C-N 3.33Å; D137-K154 IonicContact OD1-NZ 2.93Å; D137-K154 PolarHBondContact OD1-NZ 3.08Å
138A83.5Confident90.6Very high86 Ų8661.1 Ų61.171%0.71134%0.34SS*.THydrogen-bonded Turntrans-74-18.5170.300000114.2N136N136-A138 PolarHBondContact O-N 3.03Å; N136-A138 PolarHBondContact OD1-N 2.87Å
139E84.4Confident90.5Very high81 Ų8163 Ų6338%0.37935%0.345SS..SBendtrans-102.6132.7-178.8-67.7-173.2-173.700111.6H135 N136 D137 L141H135-E139 PolarHBondContact CE1-O 3.02Å; N136-E139 PolarHBondContact O-N 2.91Å; D137-E139 VanDerWaalsContact C-N 3.33Å; E139-L141 PolarHBondContact O-N 3.23Å
140P87.8Confident90.5Very high66 Ų6660 Ų6043%0.42933%0.333SS..  trans-64.6135.6178.527.5-34.4000110.9T142 N143P140-T142 PolarHBondContact O-N 2.89Å; P140-N143 WeakPolarHBondContact O-CB 3.47Å; P140-N143 PolarHBondContact O-N 3.5Å
141L88.9Confident90.6Very high43 Ų4359.3 Ų59.323%0.22533%0.328CS..THydrogen-bonded Turntrans-54-31178.9-83.6157.7000113I99 L107 E139 N143 Y144 Y152I99-L141 HydrophobicContact CD1-CB 4.39Å; L107-L141 HydrophobicContact CD1-CB 3.83Å; L107-L141 HydrophobicContact CD2-CB 4.08Å; L107-L141 WeakPolarHBondContact CD2-O 3.46Å; E139-L141 PolarHBondContact O-N 3.23Å; L141-N143 PolarHBondContact O-N 3.46Å; L141-N143 VanDerWaalsContact O-N 3.12Å; L141-Y144 WeakPolarHBondContact O-CB 3.33Å; L141-Y144 WeakPolarHBondContact O-CD2 3.38Å; L141-Y144 PolarHBondContact O-N 3.2Å; L141-Y152 HydrophobicContact CD2-CD1 4.44Å; L141-Y152 HydrophobicContact CD2-CD2 4.28Å; L141-Y152 HydrophobicContact CD2-CE1 3.91Å; L141-Y152 HydrophobicContact CD2-CE2 3.7Å; L141-Y152 VanDerWaalsContact CD2-CZ 3.49Å
142T90Very high90.6Very high29 Ų2957.1 Ų57.118%0.17831%0.311CS..THydrogen-bonded Turntrans-59-22.7178.752.20000113.4I99 P140 Y144 L145I99-T142 HydrophobicContact CD1-CG2 4.48Å; I99-T142 HydrophobicContact CG1-CG2 4.05Å; P140-T142 PolarHBondContact O-N 2.89Å; T142-Y144 PolarHBondContact O-N 3.19Å; T142-L145 WeakPolarHBondContact O-CB 3.45Å; T142-L145 PolarHBondContact O-N 2.88Å
143N90.5Very high90.4Very high58 Ų5858.2 Ų58.231%0.3132%0.315SS..Hα-helixtrans-56.5-33.7173.3-75.3-8.2000112.6P140 L141 L145 V146P140-N143 WeakPolarHBondContact O-CB 3.47Å; P140-N143 PolarHBondContact O-N 3.5Å; L141-N143 PolarHBondContact O-N 3.46Å; L141-N143 VanDerWaalsContact O-N 3.12Å; N143-L145 VanDerWaalsContact C-N 3.27Å; N143-L145 PolarHBondContact O-N 3.14Å; N143-V146 PolarHBondContact O-N 3.39Å
144Y92.1Very high90.3Very high8 Ų857.6 Ų57.63%0.03131%0.308CS..Hα-helixtrans-68.7-26.5176.9-69.9-82.9000112.2R110 T133 H135 L141 T142 R147 A150 Y152R110-Y144 PolarHBondContact NE-O 3.4Å; R110-Y144 PolarHBondContact NH1-O 3.34Å; R110-Y144 PolarHBondContact NH2-O 3.14Å; T133-Y144 WeakPolarHBondContact OG1-CE1 3.41Å; T133-Y144 PolarHBondContact OG1-OH 2.94Å; H135-Y144 AromaticContact ND1-CE2 3.63Å; L141-Y144 WeakPolarHBondContact O-CB 3.33Å; L141-Y144 WeakPolarHBondContact O-CD2 3.38Å; L141-Y144 PolarHBondContact O-N 3.2Å; T142-Y144 PolarHBondContact O-N 3.19Å; Y144-R147 VanDerWaalsContact O-O 3.12Å; Y144-A150 HydrophobicContact CD1-CB 4.23Å; Y144-Y152 HydrophobicContact CD1-CD1 4.2Å; Y144-Y152 HydrophobicContact CD2-CD1 4.11Å; Y144-Y152 HydrophobicContact CD2-CG 4.44Å; Y144-Y152 HydrophobicContact CE1-CG 4.46Å; Y144-Y152 HydrophobicContact CE2-CD1 4.49Å; Y144-Y152 HydrophobicContact CE2-CG 4.37Å; Y144-Y152 AromaticContact CG-CD1 3.97Å; Y144-Y152 HydrophobicContact CG-CD1 3.97Å
145L91.9Very high90.2Very high32 Ų3255.8 Ų55.817%0.16830%0.298CS..Hα-helixtrans-74.3-28.7177.9-61.4177.8000112.8Q103 Q106 L107 R110 T142 N143Q103-L145 HydrophobicContact CB-CD1 3.72Å; Q103-L145 HydrophobicContact CG-CD1 3.76Å; Q106-L145 HydrophobicContact CB-CD2 3.63Å; L107-L145 HydrophobicContact CD1-CD1 4.49Å; L107-L145 HydrophobicContact CD2-CD1 4.3Å; L107-L145 HydrophobicContact CD2-CD2 3.93Å; L107-L145 HydrophobicContact CD2-CG 3.8Å; L107-L145 HydrophobicContact CG-CD1 4.07Å; L107-L145 HydrophobicContact CG-CD2 4.04Å; L107-L145 HydrophobicContact CG-CG 4.06Å; R110-L145 PolarHBondContact NH2-O 3.2Å; T142-L145 WeakPolarHBondContact O-CB 3.45Å; T142-L145 PolarHBondContact O-N 2.88Å; N143-L145 VanDerWaalsContact C-N 3.27Å; N143-L145 PolarHBondContact O-N 3.14Å
146V91.7Very high90.4Very high122 Ų12255.7 Ų55.774%0.73930%0.298SS*.Hα-helixtrans-70.8-36.1-179.5-1790000111.5N143N143-V146 PolarHBondContact O-N 3.39Å
147R90.2Very high90.7Very high150 Ų15052.7 Ų52.757%0.56628%0.28SS*.SBendtrans-89.3127.2-180-62.7179.1-176158.52.7109.9R110 Y144 A150R110-R147 PolarHBondContact NH1-O 3.43Å; R110-R147 PolarHBondContact NH2-O 3.2Å; R110-R147 VanDerWaalsContact NH2-O 3.17Å; Y144-R147 VanDerWaalsContact O-O 3.12Å; R147-A150 HydrophobicContact CB-CB 3.65Å
148D89.7Confident91.2Very high134 Ų13449 Ų4972%0.71726%0.261SS*.THydrogen-bonded Turntrans-68.8145.1170.9-77.1-31.1000111.1A150D148-A150 PolarHBondContact O-N 2.95Å
149E92Very high91.6Very high53 Ų5346.5 Ų46.525%0.24824%0.237CC..THydrogen-bonded Turntrans6020.3176.8-52.6177.4167.400114.5Y14 K129 C130 S131 F151 R416 Y417Y14-E149 HydrophobicContact CE2-CG 4.27Å; K129-E149 VanDerWaalsContact O-OE2 3.09Å; C130-E149 HydrophobicContact CB-CB 4.31Å; S131-E149 PolarHBondContact N-O 3.37Å; E149-F151 WeakPolarHBondContact O-CD2 3.13Å; E149-R416 IonicContact OE1-CZ 2.87Å; E149-R416 IonicContact OE1-NE 2.69Å; E149-R416 IonicContact OE1-NH1 3.61Å; E149-R416 PolarHBondContact OE1-NH1 3.49Å; E149-R416 IonicContact OE1-NH2 2.9Å; E149-R416 PolarHBondContact OE1-NH2 2.97Å; E149-Y417 PolarHBondContact N-OH 2.79Å
150A95.3Very high92Very high5 Ų548.6 Ų48.64%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-92.9126174.400000111.2R110 S131 Y144 R147 D148R110-A150 WeakPolarHBondContact CD-O 3.39Å; R110-A150 PolarHBondContact NH1-O 3.1Å; S131-A150 WeakPolarHBondContact O-CA 3.37Å; Y144-A150 HydrophobicContact CD1-CB 4.23Å; R147-A150 HydrophobicContact CB-CB 3.65Å; D148-A150 PolarHBondContact O-N 2.95Å
151F96.8Very high92.2Very high0 Ų051.2 Ų51.20%027%0.266CS..EExtended strand (participates in β ladder)trans-121.6162.7175.6-60.5-93.3000109.8Y14 I25 R110 L112 C130 S131 V132 T133 E149 Y417Y14-F151 AromaticContact CE1-CE2 3.82Å; Y14-F151 HydrophobicContact CE1-CE2 3.82Å; Y14-F151 AromaticContact CE1-CZ 3.91Å; Y14-F151 HydrophobicContact CE1-CZ 3.91Å; Y14-F151 AromaticContact CZ-CE2 3.88Å; Y14-F151 VanDerWaalsContact OH-CE2 3.24Å; Y14-F151 WeakPolarHBondContact OH-CE2 3.45Å; I25-F151 HydrophobicContact CD1-CD1 3.72Å; I25-F151 HydrophobicContact CD1-CD2 4.03Å; I25-F151 HydrophobicContact CD1-CE1 3.5Å; I25-F151 VanDerWaalsContact CD1-CE1 3.5Å; I25-F151 HydrophobicContact CD1-CE2 3.8Å; I25-F151 HydrophobicContact CD1-CG 4.01Å; I25-F151 HydrophobicContact CD1-CZ 3.55Å; R110-F151 HydrophobicContact CB-CD1 4.38Å; R110-F151 VanDerWaalsContact O-CA 3.24Å; R110-F151 WeakPolarHBondContact O-CA 3.29Å; R110-F151 WeakPolarHBondContact O-CB 3.38Å; R110-F151 WeakPolarHBondContact O-CD1 3.2Å; L112-F151 HydrophobicContact CD1-CB 3.57Å; L112-F151 HydrophobicContact CD1-CD1 4.04Å; L112-F151 HydrophobicContact CD1-CG 3.85Å; L112-F151 HydrophobicContact CD2-CD1 4.22Å; L112-F151 HydrophobicContact CG-CB 4.04Å; L112-F151 HydrophobicContact CG-CD1 4.06Å; L112-F151 HydrophobicContact CG-CG 4.32Å; C130-F151 HydrophobicContact CB-CD2 4.19Å; C130-F151 HydrophobicContact CB-CE2 3.97Å; S131-F151 PolarHBondContact O-N 3.39Å; V132-F151 WeakPolarHBondContact CA-O 3.47Å; V132-F151 HydrophobicContact CG1-CB 4.46Å; V132-F151 HydrophobicContact CG2-CB 4.15Å; T133-F151 PolarHBondContact N-O 3.43Å; T133-F151 VanDerWaalsContact N-O 3.13Å; E149-F151 WeakPolarHBondContact O-CD2 3.13Å; F151-Y417 AromaticContact CE1-CD1 3.68Å; F151-Y417 HydrophobicContact CE1-CD1 3.68Å; F151-Y417 HydrophobicContact CE1-CE1 4.08Å; F151-Y417 HydrophobicContact CE2-CE1 4.46Å; F151-Y417 AromaticContact CZ-CD1 3.68Å; F151-Y417 HydrophobicContact CZ-CD1 3.68Å; F151-Y417 AromaticContact CZ-CE1 3.77Å; F151-Y417 HydrophobicContact CZ-CE1 3.77Å
152Y95.2Very high92.3Very high12 Ų1256 Ų565%0.04729%0.285CS..EExtended strand (participates in β ladder)trans-137.3162.1173.868.7-82.6000111.4L107 R110 E111 L112 T133 H135 L141 Y144L107-Y152 HydrophobicContact CD2-CE1 4.46Å; L107-Y152 PolarHBondContact O-OH 3.26Å; R110-Y152 HydrophobicContact CB-CD1 4.37Å; R110-Y152 HydrophobicContact CB-CE1 4.22Å; R110-Y152 PolarHBondContact O-N 3.45Å; E111-Y152 CarbonylContact C-O 3.22Å; E111-Y152 WeakPolarHBondContact CA-O 3.38Å; E111-Y152 HydrophobicContact CB-CE1 4.19Å; E111-Y152 HydrophobicContact CB-CE2 4.11Å; E111-Y152 HydrophobicContact CG-CE2 3.88Å; L112-Y152 PolarHBondContact N-O 2.92Å; T133-Y152 WeakPolarHBondContact O-CA 3.49Å; H135-Y152 HydrophobicContact CB-CD2 3.89Å; H135-Y152 HydrophobicContact CB-CG 4.43Å; L141-Y152 HydrophobicContact CD2-CD1 4.44Å; L141-Y152 HydrophobicContact CD2-CD2 4.28Å; L141-Y152 HydrophobicContact CD2-CE1 3.91Å; L141-Y152 HydrophobicContact CD2-CE2 3.7Å; L141-Y152 VanDerWaalsContact CD2-CZ 3.49Å; Y144-Y152 HydrophobicContact CD1-CD1 4.2Å; Y144-Y152 HydrophobicContact CD2-CD1 4.11Å; Y144-Y152 HydrophobicContact CD2-CG 4.44Å; Y144-Y152 HydrophobicContact CE1-CG 4.46Å; Y144-Y152 HydrophobicContact CE2-CD1 4.49Å; Y144-Y152 HydrophobicContact CE2-CG 4.37Å; Y144-Y152 AromaticContact CG-CD1 3.97Å; Y144-Y152 HydrophobicContact CG-CD1 3.97Å
153Y93.8Very high92.4Very high30 Ų3056.9 Ų56.912%0.11829%0.29CS..EExtended strand (participates in β ladder)trans-135.3150.7167.169.4-76.3000109.6Y46 L112 L114 V132 T133 L134 H135Y46-Y153 HydrophobicContact CE1-CD1 4.02Å; Y46-Y153 HydrophobicContact CE1-CE1 4.32Å; Y46-Y153 HydrophobicContact CE1-CG 4.34Å; L112-Y153 VanDerWaalsContact O-CA 3.28Å; L112-Y153 WeakPolarHBondContact O-CA 3.11Å; L112-Y153 WeakPolarHBondContact O-CB 3.39Å; L114-Y153 HydrophobicContact CB-CD2 3.74Å; L114-Y153 HydrophobicContact CB-CE2 3.97Å; L114-Y153 HydrophobicContact CB-CG 4.34Å; L114-Y153 HydrophobicContact CD2-CD2 4.42Å; L114-Y153 HydrophobicContact CD2-CE2 3.79Å; V132-Y153 HydrophobicContact CG1-CD1 3.91Å; V132-Y153 HydrophobicContact CG1-CE1 4.43Å; T133-Y153 WeakPolarHBondContact O-CD1 3.32Å; T133-Y153 PolarHBondContact O-N 3.09Å; L134-Y153 HydrophobicContact CB-CE1 3.99Å; L134-Y153 HydrophobicContact CB-CE2 4.47Å; L134-Y153 HydrophobicContact CD1-CD2 4.04Å; L134-Y153 HydrophobicContact CD1-CE2 3.61Å; H135-Y153 PolarHBondContact N-O 3.23Å
154K90.8Very high92.4Very high41 Ų4155.5 Ų55.518%0.17828%0.283CS..EExtended strand (participates in β ladder)trans-119.4-32.7170.6-74-178.9-179.3-114.70111.4Y64 H135 D137Y64-K154 HydrophobicContact CD1-CD 3.94Å; Y64-K154 HydrophobicContact CE1-CB 4.11Å; Y64-K154 HydrophobicContact CE1-CD 3.34Å; Y64-K154 HydrophobicContact CE1-CG 4.35Å; H135-K154 HydrophobicContact CB-CG 3.73Å; H135-K154 WeakPolarHBondContact CD2-CE 3.33Å; H135-K154 PolarHBondContact CD2-NZ 3.44Å; H135-K154 PolarHBondContact NE2-NZ 3.22Å; D137-K154 IonicContact OD1-NZ 2.93Å; D137-K154 PolarHBondContact OD1-NZ 3.08Å
155L91.5Very high92.1Very high8 Ų860 Ų604%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-116.9151-171.7-60.2175000112.1A60 F113 L114 L164 Q165 E166A60-L155 HydrophobicContact CB-CD1 3.71Å; F113-L155 HydrophobicContact CD1-CB 3.95Å; F113-L155 HydrophobicContact CE1-CB 4.19Å; F113-L155 HydrophobicContact CE1-CD1 4.19Å; L114-L155 PolarHBondContact N-O 3.15Å; L155-L164 HydrophobicContact CB-CD2 4.42Å; L155-L164 HydrophobicContact CD1-CB 4.44Å; L155-L164 HydrophobicContact CD1-CD1 4.28Å; L155-Q165 CarbonylContact C-O 3.5Å; L155-Q165 WeakPolarHBondContact CA-O 3.35Å; L155-E166 HydrophobicContact CD2-CB 4.49Å; L155-E166 HydrophobicContact CD2-CG 3.81Å
156I92.9Very high91.7Very high15 Ų1561.7 Ų61.78%0.07731%0.311CS..EExtended strand (participates in β ladder)trans-93.8130.3169.2-57.8179.2000108.7L114 L164 Q165 D167L114-I156 HydrophobicContact CD2-CG1 4.32Å; L114-I156 CarbonylContact O-C 3.58Å; L114-I156 VanDerWaalsContact O-CA 3.23Å; L114-I156 WeakPolarHBondContact O-CA 3.43Å; L114-I156 WeakPolarHBondContact O-CG2 3.34Å; I156-L164 WeakPolarHBondContact O-CA 3.48Å; I156-Q165 PolarHBondContact N-O 3.44Å; I156-Q165 PolarHBondContact O-N 3Å; I156-D167 HydrophobicContact CD1-CB 3.92Å; I156-D167 WeakPolarHBondContact CD1-OD1 3.47Å; I156-D167 HydrophobicContact CG1-CB 4.02Å
157Y94.5Very high90.7Very high17 Ų1759.3 Ų59.37%0.06729%0.294CS..EExtended strand (participates in β ladder)trans-104.9123.8172.4176.2-122.7000111.4Y47 V52 L56 L114 S115 P159 T163 L164Y47-Y157 HydrophobicContact CD1-CD1 4.07Å; Y47-Y157 AromaticContact CD1-CE1 3.91Å; Y47-Y157 HydrophobicContact CD1-CE1 3.91Å; Y47-Y157 AromaticContact CD2-CD1 3.91Å; Y47-Y157 HydrophobicContact CD2-CD1 3.91Å; Y47-Y157 HydrophobicContact CD2-CE1 4.46Å; Y47-Y157 HydrophobicContact CE1-CE1 4.15Å; Y47-Y157 HydrophobicContact CE2-CD1 4.36Å; Y47-Y157 AromaticContact CG-CD1 3.75Å; Y47-Y157 HydrophobicContact CG-CD1 3.75Å; Y47-Y157 HydrophobicContact CG-CE1 4.09Å; V52-Y157 HydrophobicContact CG1-CD2 4.28Å; V52-Y157 HydrophobicContact CG1-CE2 4.14Å; V52-Y157 HydrophobicContact CG2-CD1 4.03Å; V52-Y157 HydrophobicContact CG2-CD2 4.26Å; V52-Y157 HydrophobicContact CG2-CE1 4.14Å; V52-Y157 HydrophobicContact CG2-CE2 4.38Å; V52-Y157 HydrophobicContact CG2-CG 4.08Å; L56-Y157 HydrophobicContact CD1-CD2 4.43Å; L56-Y157 HydrophobicContact CD1-CE2 3.86Å; L114-Y157 PolarHBondContact O-N 2.59Å; S115-Y157 WeakPolarHBondContact CA-O 3.5Å; S115-Y157 PolarHBondContact OG-O 2.8Å; Y157-P159 HydrophobicContact CD1-CB 4.36Å; Y157-P159 HydrophobicContact CE1-CB 3.78Å; Y157-P159 VanDerWaalsContact O-CD 3.29Å; Y157-P159 WeakPolarHBondContact O-CD 3.23Å; Y157-T163 WeakPolarHBondContact CD2-O 3.44Å; Y157-L164 HydrophobicContact CD2-CD2 3.89Å; Y157-L164 HydrophobicContact CG-CD2 4.25Å
158D92.7Very high89.6Confident39 Ų3960.5 Ų60.521%0.20930%0.298CS..EExtended strand (participates in β ladder)trans-93.9106168.7-169.8-37.9000109.3T160 L161 K162 T163D158-T160 VanDerWaalsContact C-N 3.28Å; D158-T160 PolarHBondContact O-N 3.45Å; D158-T160 WeakPolarHBondContact OD1-CA 3.28Å; D158-T160 WeakPolarHBondContact OD1-CB 3.38Å; D158-T160 PolarHBondContact OD1-N 3.04Å; D158-T160 PolarHBondContact OD1-OG1 2.94Å; D158-L161 HydrophobicContact CB-CB 4.2Å; D158-L161 PolarHBondContact OD1-N 2.9Å; D158-L161 WeakPolarHBondContact OD2-CD1 3.4Å; D158-K162 WeakPolarHBondContact O-CA 3.41Å; D158-K162 PolarHBondContact O-N 3.27Å; D158-T163 PolarHBondContact N-O 2.95Å; D158-T163 PolarHBondContact O-N 2.92Å
159P91.4Very high88.5Confident33 Ų3358 Ų5821%0.21430%0.304CS..THydrogen-bonded Turntrans-71.4-22.9-17927.2-33.5000113.2S115 Q117 Y157S115-P159 VanDerWaalsContact OG-CD 3.23Å; S115-P159 WeakPolarHBondContact OG-CD 3.36Å; Q117-P159 HydrophobicContact CB-CG 4.28Å; Q117-P159 VanDerWaalsContact OE1-CG 3.22Å; Y157-P159 HydrophobicContact CD1-CB 4.36Å; Y157-P159 HydrophobicContact CE1-CB 3.78Å; Y157-P159 VanDerWaalsContact O-CD 3.29Å; Y157-P159 WeakPolarHBondContact O-CD 3.23Å
160T92.3Very high87.4Confident125 Ų12558.9 Ų58.977%0.76732%0.317SS*.THydrogen-bonded Turntrans-75.9-47.2177.512.80000111.3D158D158-T160 VanDerWaalsContact C-N 3.28Å; D158-T160 PolarHBondContact O-N 3.45Å; D158-T160 WeakPolarHBondContact OD1-CA 3.28Å; D158-T160 WeakPolarHBondContact OD1-CB 3.38Å; D158-T160 PolarHBondContact OD1-N 3.04Å; D158-T160 PolarHBondContact OD1-OG1 2.94Å
161L91.9Very high86.5Confident122 Ų12266.9 Ų66.964%0.63936%0.355SS*.THydrogen-bonded Turntrans-87.6-15.3179.4-60.6-179.4000113.1D158 T163D158-L161 HydrophobicContact CB-CB 4.2Å; D158-L161 PolarHBondContact OD1-N 2.9Å; D158-L161 WeakPolarHBondContact OD2-CD1 3.4Å; L161-T163 HydrophobicContact CB-CG2 4.07Å
162K92Very high85.9Confident143 Ų14374 Ų7462%0.62238%0.382SS*.THydrogen-bonded Turntrans54.452.4-172.4-57.8179.4-179.51770111.4L56 D158L56-K162 HydrophobicContact CD1-CB 4.45Å; L56-K162 VanDerWaalsContact CD1-O 3.29Å; L56-K162 WeakPolarHBondContact CD1-O 3.34Å; D158-K162 WeakPolarHBondContact O-CA 3.41Å; D158-K162 PolarHBondContact O-N 3.27Å
163T91.5Very high85.4Confident47 Ų4779.9 Ų79.929%0.28841%0.413SS..EExtended strand (participates in β ladder)trans-126.1152.1179.856.90000111.4Y157 D158 L161Y157-T163 WeakPolarHBondContact CD2-O 3.44Å; D158-T163 PolarHBondContact N-O 2.95Å; D158-T163 PolarHBondContact O-N 2.92Å; L161-T163 HydrophobicContact CB-CG2 4.07Å
164L89.8Confident84.9Confident30 Ų3079.9 Ų79.916%0.15742%0.422CS..EExtended strand (participates in β ladder)trans-110137.8169.5-70.2176000110L56 A60 F113 L155 I156 Y157L56-L164 HydrophobicContact CB-CD1 3.85Å; L56-L164 HydrophobicContact CB-CG 4.25Å; L56-L164 WeakPolarHBondContact O-CD1 3.18Å; A60-L164 HydrophobicContact CB-CD1 3.93Å; F113-L164 HydrophobicContact CD1-CD1 4.44Å; F113-L164 HydrophobicContact CD1-CD2 3.44Å; F113-L164 VanDerWaalsContact CD1-CD2 3.44Å; F113-L164 HydrophobicContact CE1-CD1 3.99Å; F113-L164 HydrophobicContact CE1-CD2 3.85Å; F113-L164 HydrophobicContact CG-CD2 4.22Å; L155-L164 HydrophobicContact CB-CD2 4.42Å; L155-L164 HydrophobicContact CD1-CB 4.44Å; L155-L164 HydrophobicContact CD1-CD1 4.28Å; I156-L164 WeakPolarHBondContact O-CA 3.48Å; Y157-L164 HydrophobicContact CD2-CD2 3.89Å; Y157-L164 HydrophobicContact CG-CD2 4.25Å
165Q86.8Confident84.9Confident103 Ų10383.1 Ų83.148%0.48145%0.45SS..EExtended strand (participates in β ladder)trans-139.9152.5179.2-64.3179.6-9.500109.7L155 I156L155-Q165 CarbonylContact C-O 3.5Å; L155-Q165 WeakPolarHBondContact CA-O 3.35Å; I156-Q165 PolarHBondContact N-O 3.44Å; I156-Q165 PolarHBondContact O-N 3Å
166E82.6Confident84.9Confident66 Ų6689.5 Ų89.531%0.30848%0.484SS..EExtended strand (participates in β ladder)trans-71.6145.1168.5-70.5154.8-116.400111Y63 L155 R168Y63-E166 HydrophobicContact CE1-CG 4.3Å; Y63-E166 HydrophobicContact CE2-CG 4.38Å; Y63-E166 WeakPolarHBondContact CE2-OE1 3.09Å; Y63-E166 PolarHBondContact OH-OE1 3.21Å; Y63-E166 PolarHBondContact OH-OE2 3.07Å; Y63-E166 VanDerWaalsContact OH-OE2 3.08Å; L155-E166 HydrophobicContact CD2-CB 4.49Å; L155-E166 HydrophobicContact CD2-CG 3.81Å; E166-R168 VanDerWaalsContact C-N 3.3Å; E166-R168 VanDerWaalsContact CB-O 3.3Å; E166-R168 WeakPolarHBondContact CB-O 3.42Å
167D71Confident84.8Confident73 Ų7394.6 Ų94.639%0.3950%0.503SS..SBendtrans-69.5-32.3173-176.845000111.7I156I156-D167 HydrophobicContact CD1-CB 3.92Å; I156-D167 WeakPolarHBondContact CD1-OD1 3.47Å; I156-D167 HydrophobicContact CG1-CB 4.02Å
168R67.9Low84.8Confident174 Ų17498.4 Ų98.466%0.65752%0.521SS*.SBendtrans-104129177.9-61.7-173.8178178.4-0.1108.4E166E166-R168 VanDerWaalsContact C-N 3.3Å; E166-R168 VanDerWaalsContact CB-O 3.3Å; E166-R168 WeakPolarHBondContact CB-O 3.42Å
169G66.4Low84.8Confident81 Ų81101.7 Ų101.784%0.83555%0.547SS*.PPolyproline II helixtrans-58.3141.5170.400000110.3
170S68.9Low84.9Confident73 Ų73108.6 Ų108.651%0.5158%0.577SS.*PPolyproline II helixtrans-84.6141.5175.950.20000111.4
171M76.7Confident85Confident172 Ų172110 Ų11085%0.84758%0.578SS**PPolyproline II helixtrans-75.2129171.8-176.717164.400108.8
172R82.4Confident84.9Confident151 Ų151112.5 Ų112.557%0.5759%0.586SS**PPolyproline II helixtrans-100.7142.2-179.4-57.1-173.6-177.3-173.53110.4Y177R172-Y177 HydrophobicContact CB-CD1 3.73Å; R172-Y177 HydrophobicContact CB-CD2 3.63Å; R172-Y177 HydrophobicContact CB-CE1 3.81Å; R172-Y177 HydrophobicContact CB-CE2 3.71Å; R172-Y177 HydrophobicContact CB-CG 3.65Å; R172-Y177 VanDerWaalsContact CD-OH 3.3Å; R172-Y177 WeakPolarHBondContact CD-OH 3.3Å; R172-Y177 HydrophobicContact CG-CD1 4.46Å; R172-Y177 HydrophobicContact CG-CE1 4.15Å; R172-Y177 HydrophobicContact CG-CE2 4.48Å; R172-Y177 PolarHBondContact NH1-OH 2.77Å
173I84.9Confident84.8Confident135 Ų135111.4 Ų111.469%0.69260%0.595SS**  trans-121.7131.6178.1-61.4175.4000107.9
174G84.1Confident84.9Confident30 Ų30117.3 Ų117.331%0.30962%0.624SS.*SBendtrans156.2161.6178.300000112.5D176 Y177 Q178G174-D176 PolarHBondContact O-N 3.31Å; G174-Y177 PolarHBondContact O-N 3.46Å; G174-Q178 PolarHBondContact O-N 3.46Å; G174-Q178 PolarHBondContact O-OE1 3.38Å
175S91.4Very high85Confident109 Ų109120 Ų12076%0.76264%0.638SS**THydrogen-bonded Turntrans-53.6-24.4176.6500000114Y177S175-Y177 VanDerWaalsContact C-N 3.29Å
176D91Very high85.2Confident142 Ų142124.7 Ų124.776%0.75966%0.657SS**THydrogen-bonded Turntrans-78.3-12.8177.9-56.5-19.9000113.4G174G174-D176 PolarHBondContact O-N 3.31Å
177Y91.4Very high85.5Confident122 Ų122123.6 Ų123.648%0.47866%0.657SS.*THydrogen-bonded Turntrans-118.1-39.4-174.8-56.4-72.4000112.7R172 G174 S175R172-Y177 HydrophobicContact CB-CD1 3.73Å; R172-Y177 HydrophobicContact CB-CD2 3.63Å; R172-Y177 HydrophobicContact CB-CE1 3.81Å; R172-Y177 HydrophobicContact CB-CE2 3.71Å; R172-Y177 HydrophobicContact CB-CG 3.65Å; R172-Y177 VanDerWaalsContact CD-OH 3.3Å; R172-Y177 WeakPolarHBondContact CD-OH 3.3Å; R172-Y177 HydrophobicContact CG-CD1 4.46Å; R172-Y177 HydrophobicContact CG-CE1 4.15Å; R172-Y177 HydrophobicContact CG-CE2 4.48Å; R172-Y177 PolarHBondContact NH1-OH 2.77Å; G174-Y177 PolarHBondContact O-N 3.46Å; S175-Y177 VanDerWaalsContact C-N 3.29Å
178Q93.5Very high86.1Confident97 Ų97129 Ų12945%0.45368%0.677SS.*SBendtrans-76.9139.1176.7-84.877.6-5.700110.9G174G174-Q178 PolarHBondContact O-N 3.46Å; G174-Q178 PolarHBondContact O-OE1 3.38Å
179S93.6Very high86.9Confident107 Ų107125.7 Ų125.775%0.74868%0.68SS**PPolyproline II helixtrans-69.4144.1170.2-178.60000110.7I181S179-I181 PolarHBondContact O-N 2.7Å
180E92.6Very high87.8Confident179 Ų179126.4 Ų126.484%0.83666%0.662SS**PPolyproline II helixtrans-65.2128.8160.6-169.6173.8-170.100109Q182E180-Q182 PolarHBondContact O-N 2.74Å
181I93.5Very high88.8Confident154 Ų154124.6 Ų124.679%0.7965%0.647SS**  trans-81.5115.3-176.8-61.1174.7000108.3S179 C183S179-I181 PolarHBondContact O-N 2.7Å; I181-C183 PolarHBondContact O-N 2.89Å
182Q91.2Very high89.2Confident174 Ų174120.7 Ų120.781%0.81363%0.632SS**PPolyproline II helixtrans-59.9129.4174.8-66.2-178.82.800110.3E180E180-Q182 PolarHBondContact O-N 2.74Å
183C90.4Very high89.4Confident120 Ų120120.7 Ų120.781%0.81163%0.632SS**PPolyproline II helixtrans-64.9143.6177.1-680000111.2I181 L185I181-C183 PolarHBondContact O-N 2.89Å; C183-L185 PolarHBondContact O-N 3.38Å
184L92.1Very high89.3Confident171 Ų171120.2 Ų120.290%0.89563%0.63SS**PPolyproline II helixtrans-61.8124.7173.4-175.269.7000110
185L92Very high89.1Confident87 Ų87124.5 Ų124.546%0.45565%0.65SS.*PPolyproline II helixtrans-64.1144.7175.5-64.1176.2000110.9C183 E190 D191C183-L185 PolarHBondContact O-N 3.38Å; L185-E190 HydrophobicContact CD1-CB 4.43Å; L185-E190 HydrophobicContact CD2-CB 4.32Å; L185-D191 HydrophobicContact CD1-CB 3.79Å
186K90.7Very high88.9Confident201 Ų201124.6 Ų124.687%0.87464%0.639SS**SBendtrans-72.7-35.1-179.3-68177.8-178.6174.50111.8E190K186-E190 PolarHBondContact N-OE2 3.33Å
187S88.8Confident88.7Confident43 Ų43124.3 Ų124.330%0.30164%0.642SS.*SBendtrans-136.4148.5178.671.30000110.7S189 E190S187-S189 PolarHBondContact O-N 3.27Å; S187-S189 PolarHBondContact OG-OG 3.38Å; S187-E190 PolarHBondContact O-N 3.48Å; S187-E190 VanDerWaalsContact OG-CD 3.28Å; S187-E190 WeakPolarHBondContact OG-CG 3.48Å; S187-E190 PolarHBondContact OG-OE1 3.48Å
188K85.4Confident88.6Confident187 Ų187124.2 Ų124.281%0.81365%0.646SS**G310 helixtrans-61.9-29177.3-67.1-175.6179.1-177.20112.5E190 D191 L194K188-E190 PolarHBondContact O-N 2.87Å; K188-D191 WeakPolarHBondContact O-CB 3.37Å; K188-D191 PolarHBondContact O-N 2.97Å; K188-L194 WeakPolarHBondContact O-CD1 2.94Å
189S83.3Confident88.6Confident105 Ų105127.8 Ų127.873%0.73466%0.663SS**G310 helixtrans-68.8-14.7179.840.60000114.5S187S187-S189 PolarHBondContact O-N 3.27Å; S187-S189 PolarHBondContact OG-OG 3.38Å
190E85.4Confident88.5Confident96 Ų96130.7 Ų130.745%0.44966%0.664SS.*G310 helixtrans-76.7-12.8175.2-75.7157.2-142.900112.6L185 K186 S187 K188 V192L185-E190 HydrophobicContact CD1-CB 4.43Å; L185-E190 HydrophobicContact CD2-CB 4.32Å; K186-E190 PolarHBondContact N-OE2 3.33Å; S187-E190 PolarHBondContact O-N 3.48Å; S187-E190 VanDerWaalsContact OG-CD 3.28Å; S187-E190 WeakPolarHBondContact OG-CG 3.48Å; S187-E190 PolarHBondContact OG-OE1 3.48Å; K188-E190 PolarHBondContact O-N 2.87Å; E190-V192 PolarHBondContact O-N 2.77Å; E190-V192 VanDerWaalsContact O-N 3.17Å
191D90.2Very high88.5Confident35 Ų35127.4 Ų127.419%0.18765%0.652CS.*  trans-78.2101.4179.3-165.8-12.5000111L185 K188 R193 L194L185-D191 HydrophobicContact CD1-CB 3.79Å; K188-D191 WeakPolarHBondContact O-CB 3.37Å; K188-D191 PolarHBondContact O-N 2.97Å; D191-R193 PolarHBondContact O-N 2.89Å; D191-R193 VanDerWaalsContact O-N 3.09Å; D191-R193 VanDerWaalsContact OD1-CB 3.29Å; D191-R193 WeakPolarHBondContact OD1-CB 3.41Å; D191-R193 WeakPolarHBondContact OD1-CG 3.23Å; D191-R193 IonicContact OD1-CZ 2.84Å; D191-R193 PolarHBondContact OD1-N 3.08Å; D191-R193 IonicContact OD1-NE 3.26Å; D191-R193 PolarHBondContact OD1-NE 3.12Å; D191-R193 IonicContact OD1-NH2 3.67Å; D191-R193 IonicContact OD2-CZ 3.22Å; D191-R193 IonicContact OD2-NE 2.85Å; D191-R193 PolarHBondContact OD2-NE 2.98Å; D191-R193 IonicContact OD2-NH2 3.35Å; D191-R193 PolarHBondContact OD2-NH2 2.87Å; D191-L194 HydrophobicContact CB-CD1 4.22Å; D191-L194 HydrophobicContact CB-CG 4.21Å; D191-L194 WeakPolarHBondContact O-CB 3.46Å; D191-L194 PolarHBondContact O-N 2.99Å
192V84.8Confident88.5Confident89 Ų89123.2 Ų123.254%0.53963%0.633SS.*G310 helixtrans-55.7-27.4179.9-175.80000112.3E190 L194 T195 E196E190-V192 PolarHBondContact O-N 2.77Å; E190-V192 VanDerWaalsContact O-N 3.17Å; V192-L194 PolarHBondContact O-N 2.68Å; V192-L194 VanDerWaalsContact O-N 3.13Å; V192-T195 PolarHBondContact O-N 2.72Å; V192-T195 PolarHBondContact O-OG1 3.25Å; V192-E196 HydrophobicContact CG1-CG 4.49Å; V192-E196 PolarHBondContact O-N 3.11Å
193R87.2Confident88.7Confident152 Ų152118.8 Ų118.857%0.57461%0.609SS**G310 helixtrans-62.9-19.9178.2-59.9175.8-65.9-179.10.7113.3D191 T195D191-R193 PolarHBondContact O-N 2.89Å; D191-R193 VanDerWaalsContact O-N 3.09Å; D191-R193 VanDerWaalsContact OD1-CB 3.29Å; D191-R193 WeakPolarHBondContact OD1-CB 3.41Å; D191-R193 WeakPolarHBondContact OD1-CG 3.23Å; D191-R193 IonicContact OD1-CZ 2.84Å; D191-R193 PolarHBondContact OD1-N 3.08Å; D191-R193 IonicContact OD1-NE 3.26Å; D191-R193 PolarHBondContact OD1-NE 3.12Å; D191-R193 IonicContact OD1-NH2 3.67Å; D191-R193 IonicContact OD2-CZ 3.22Å; D191-R193 IonicContact OD2-NE 2.85Å; D191-R193 PolarHBondContact OD2-NE 2.98Å; D191-R193 IonicContact OD2-NH2 3.35Å; D191-R193 PolarHBondContact OD2-NH2 2.87Å; R193-T195 VanDerWaalsContact C-N 3.27Å
194L82.7Confident89Confident125 Ų125114.1 Ų114.165%0.65458%0.577SS**G310 helixtrans-75.4-17.6175.8-63.8177.3000113K188 D191 V192K188-L194 WeakPolarHBondContact O-CD1 2.94Å; D191-L194 HydrophobicContact CB-CD1 4.22Å; D191-L194 HydrophobicContact CB-CG 4.21Å; D191-L194 WeakPolarHBondContact O-CB 3.46Å; D191-L194 PolarHBondContact O-N 2.99Å; V192-L194 PolarHBondContact O-N 2.68Å; V192-L194 VanDerWaalsContact O-N 3.13Å
195T80.1Confident89Confident119 Ų119111.5 Ų111.573%0.7357%0.571SS**THydrogen-bonded Turntrans-98.9-20.3176.947.70000113.6V192 R193V192-T195 PolarHBondContact O-N 2.72Å; V192-T195 PolarHBondContact O-OG1 3.25Å; R193-T195 VanDerWaalsContact C-N 3.27Å
196E87.3Confident89Confident111 Ų111112.4 Ų112.452%0.51959%0.585SS.*SBendtrans-87.5144.6179.7-69.3-177.7-174.800111.6V192 H198V192-E196 HydrophobicContact CG1-CG 4.49Å; V192-E196 PolarHBondContact O-N 3.11Å; E196-H198 WeakPolarHBondContact CB-NE2 3.49Å; E196-H198 PolarHBondContact O-N 3.36Å; E196-H198 IonicContact OE2-CE1 3.12Å; E196-H198 PolarHBondContact OE2-CE1 3.46Å; E196-H198 IonicContact OE2-NE2 3.29Å; E196-H198 PolarHBondContact OE2-NE2 3.33Å
197V86.5Confident89Confident137 Ų137104.9 Ų104.983%0.8355%0.553SS**  trans-86.4102.8176.3-178.20000108.9
198H90.2Very high89.3Confident119 Ų119108 Ų10855%0.55157%0.574SS**  trans-104.9-7.2178.8-62.9-58.6000114.1E196E196-H198 WeakPolarHBondContact CB-NE2 3.49Å; E196-H198 PolarHBondContact O-N 3.36Å; E196-H198 IonicContact OE2-CE1 3.12Å; E196-H198 PolarHBondContact OE2-CE1 3.46Å; E196-H198 IonicContact OE2-NE2 3.29Å; E196-H198 PolarHBondContact OE2-NE2 3.33Å
199E92.7Very high89.7Confident173 Ų173100 Ų10081%0.80854%0.54SS*.  trans-144.2152.5-17459.7-176.5-151.400111.8
200E91.1Very high90.2Very high168 Ų16898.5 Ų98.579%0.78553%0.527SS*.  trans-115.6124.9171.7-177.7-178.2178.300107.8V202E200-V202 PolarHBondContact O-N 3.49Å
201L92.6Very high90.7Very high109 Ų10997.5 Ų97.557%0.57154%0.535SS*.  trans-72126.4176.9-172.166.6000109.1W203 H263L201-W203 WeakPolarHBondContact CD1-O 3.23Å; L201-H263 PolarHBondContact O-CD2 3.25Å; L201-H263 PolarHBondContact O-NE2 3.31Å
202V94Very high90.9Very high66 Ų66101.9 Ų101.940%0.455%0.554SS.*SBendtrans-113.1-18.6177.2-177.40000111.6E200 D260 H263E200-V202 PolarHBondContact O-N 3.49Å; V202-D260 WeakPolarHBondContact CG1-OD1 3.17Å; V202-H263 VanDerWaalsContact O-CB 3.3Å; V202-H263 WeakPolarHBondContact O-CB 3.4Å; V202-H263 PolarHBondContact O-CD2 2.98Å; V202-H263 VanDerWaalsContact O-CG 3.25Å
203W96Very high91.4Very high82 Ų82100.8 Ų100.831%0.31154%0.543SS..  trans-158.1125.6176.3-175.6-91.4000111L201 H207 I214 H259 L262 Y267L201-W203 WeakPolarHBondContact CD1-O 3.23Å; W203-H207 AromaticContact CE2-NE2 3.87Å; W203-H207 AromaticContact CH2-NE2 3.93Å; W203-H207 AromaticContact CZ2-CD2 3.67Å; W203-H207 AromaticContact CZ2-NE2 3.23Å; W203-H207 WeakPolarHBondContact CZ2-NE2 3.45Å; W203-I214 HydrophobicContact CH2-CD1 4.06Å; W203-I214 HydrophobicContact CH2-CG1 4.35Å; W203-I214 HydrophobicContact CH2-CG2 4.29Å; W203-I214 HydrophobicContact CZ2-CD1 3.98Å; W203-H259 HydrophobicContact CE3-CB 3.83Å; W203-H259 AromaticContact CE3-ND1 3.55Å; W203-H259 AromaticContact CH2-CE1 3.89Å; W203-H259 AromaticContact CH2-ND1 3.17Å; W203-H259 WeakPolarHBondContact CH2-ND1 3.39Å; W203-H259 AromaticContact CZ2-ND1 3.71Å; W203-H259 HydrophobicContact CZ3-CB 3.78Å; W203-H259 AromaticContact CZ3-CG 3.79Å; W203-H259 AromaticContact CZ3-ND1 3.08Å; W203-H259 WeakPolarHBondContact CZ3-ND1 3.48Å; W203-L262 HydrophobicContact CH2-CD1 4.14Å; W203-L262 HydrophobicContact CZ3-CB 4.05Å; W203-L262 HydrophobicContact CZ3-CD1 4.15Å; W203-Y267 HydrophobicContact CE3-CE1 4.13Å; W203-Y267 HydrophobicContact CH2-CE1 4.2Å; W203-Y267 AromaticContact CZ3-CE1 3.94Å; W203-Y267 HydrophobicContact CZ3-CE1 3.94Å
204S94.9Very high91.8Very high21 Ų2194.4 Ų94.415%0.14752%0.52CS..  trans-97.5128.4170.3-178.30000110.8S206 H207 Y267S204-S206 VanDerWaalsContact C-N 3.26Å; S204-S206 PolarHBondContact O-N 3.06Å; S204-S206 PolarHBondContact OG-N 3.2Å; S204-S206 PolarHBondContact OG-OG 3.22Å; S204-H207 PolarHBondContact O-CD2 3.06Å; S204-Y267 PolarHBondContact N-OH 3.39Å
205P93.3Very high92.5Very high117 Ų11793 Ų9376%0.7651%0.513SS*.THydrogen-bonded Turntrans-74.1-14.117231.2-34.7000113.4H207P205-H207 VanDerWaalsContact C-N 3.34Å; P205-H207 PolarHBondContact O-N 3.07Å
206S91.2Very high93.1Very high106 Ų10689 Ų8974%0.74149%0.487SS*.THydrogen-bonded Turntrans-94.831.9-175.656.10000113.8S204S204-S206 VanDerWaalsContact C-N 3.26Å; S204-S206 PolarHBondContact O-N 3.06Å; S204-S206 PolarHBondContact OG-N 3.2Å; S204-S206 PolarHBondContact OG-OG 3.22Å
207H92.4Very high93.6Very high43 Ų4384 Ų8420%0.19946%0.464CS..  trans-83.4165.4177.561.247.9000112.8W203 S204 P205 L209 Y267W203-H207 AromaticContact CE2-NE2 3.87Å; W203-H207 AromaticContact CH2-NE2 3.93Å; W203-H207 AromaticContact CZ2-CD2 3.67Å; W203-H207 AromaticContact CZ2-NE2 3.23Å; W203-H207 WeakPolarHBondContact CZ2-NE2 3.45Å; S204-H207 PolarHBondContact O-CD2 3.06Å; P205-H207 VanDerWaalsContact C-N 3.34Å; P205-H207 PolarHBondContact O-N 3.07Å; H207-L209 PolarHBondContact CE1-O 3.02Å; H207-L209 PolarHBondContact ND1-N 3.13Å; H207-L209 PolarHBondContact ND1-O 3.49Å; H207-L209 PolarHBondContact O-N 2.97Å; H207-Y267 HydrophobicContact CB-CD1 3.61Å; H207-Y267 HydrophobicContact CB-CD2 3.66Å; H207-Y267 HydrophobicContact CB-CE1 3.93Å; H207-Y267 HydrophobicContact CB-CE2 3.97Å; H207-Y267 HydrophobicContact CB-CG 3.47Å; H207-Y267 VanDerWaalsContact CB-CG 3.47Å; H207-Y267 AromaticContact CD2-CD1 3.74Å; H207-Y267 AromaticContact CD2-CE1 3.5Å; H207-Y267 VanDerWaalsContact CD2-CE1 3.5Å; H207-Y267 WeakPolarHBondContact CD2-CE1 3.43Å; H207-Y267 AromaticContact CG-CD1 3.82Å; H207-Y267 AromaticContact CG-CE1 3.99Å
208S93.2Very high94Very high109 Ų10978.4 Ų78.476%0.76243%0.43SS*.SBendtrans-79.1-10.2179.154.40000115.3
209L94.6Very high94.3Very high17 Ų1776.7 Ų76.79%0.08942%0.424CS..  trans-75.7139-176.4-60.1176.9000112.6H207 I214 L262 Y267 L269H207-L209 PolarHBondContact CE1-O 3.02Å; H207-L209 PolarHBondContact ND1-N 3.13Å; H207-L209 PolarHBondContact ND1-O 3.49Å; H207-L209 PolarHBondContact O-N 2.97Å; L209-I214 HydrophobicContact CB-CD1 4.31Å; L209-I214 HydrophobicContact CB-CG1 4.02Å; L209-I214 HydrophobicContact CD1-CG1 4.35Å; L209-L262 HydrophobicContact CD1-CD1 4.4Å; L209-L262 HydrophobicContact CD1-CD2 3.85Å; L209-Y267 HydrophobicContact CD1-CD1 4.01Å; L209-Y267 WeakPolarHBondContact CD2-O 3.44Å; L209-L269 HydrophobicContact CD1-CD2 4.24Å; L209-L269 HydrophobicContact CD2-CD1 4.03Å; L209-L269 HydrophobicContact CD2-CD2 3.95Å; L209-L269 HydrophobicContact CD2-CG 3.69Å
210T94.7Very high94.4Very high75 Ų7569.6 Ų69.646%0.4639%0.392SS..  trans-77155.7169.964.50000111.1Q212 E213 I214T210-Q212 PolarHBondContact O-N 2.92Å; T210-E213 WeakPolarHBondContact CB-OE2 3.45Å; T210-E213 PolarHBondContact N-OE2 2.93Å; T210-E213 PolarHBondContact O-N 2.87Å; T210-E213 VanDerWaalsContact O-N 3.1Å; T210-E213 VanDerWaalsContact OG1-CD 3.31Å; T210-E213 VanDerWaalsContact OG1-CG 3.26Å; T210-E213 WeakPolarHBondContact OG1-CG 3.4Å; T210-E213 PolarHBondContact OG1-N 3.42Å; T210-E213 PolarHBondContact OG1-OE2 3.17Å; T210-I214 WeakPolarHBondContact O-CG1 3.28Å; T210-I214 PolarHBondContact O-N 3.08Å; T210-I214 VanDerWaalsContact O-N 3.14Å
211A94.7Very high94.6Very high74 Ų7461.7 Ų61.761%0.61236%0.356SS*.Hα-helixtrans-56.1-35.5174.800000112.4I214 D215A211-I214 PolarHBondContact O-N 3.01Å; A211-D215 WeakPolarHBondContact O-CB 3.49Å; A211-D215 PolarHBondContact O-N 2.68Å
212Q95.4Very high94.7Very high127 Ų12759.8 Ų59.859%0.59334%0.343SS*.Hα-helixtrans-66.7-38.9177.8-176.5176.8-14.800112.5T210 M216T210-Q212 PolarHBondContact O-N 2.92Å; Q212-M216 WeakPolarHBondContact O-CB 3.33Å; Q212-M216 PolarHBondContact O-N 3.09Å
213E95.5Very high94.7Very high66 Ų6658 Ų5831%0.30834%0.335SS..Hα-helixtrans-67-40.4176.1-74.7164.2139.300111.6T210 M216 F217 L269T210-E213 WeakPolarHBondContact CB-OE2 3.45Å; T210-E213 PolarHBondContact N-OE2 2.93Å; T210-E213 PolarHBondContact O-N 2.87Å; T210-E213 VanDerWaalsContact O-N 3.1Å; T210-E213 VanDerWaalsContact OG1-CD 3.31Å; T210-E213 VanDerWaalsContact OG1-CG 3.26Å; T210-E213 WeakPolarHBondContact OG1-CG 3.4Å; T210-E213 PolarHBondContact OG1-N 3.42Å; T210-E213 PolarHBondContact OG1-OE2 3.17Å; E213-M216 WeakPolarHBondContact O-CB 3.4Å; E213-M216 PolarHBondContact O-N 2.91Å; E213-F217 WeakPolarHBondContact O-CB 3.39Å; E213-F217 PolarHBondContact O-N 3Å; E213-L269 HydrophobicContact CB-CD1 4.17Å; E213-L269 HydrophobicContact CG-CD1 4.09Å
214I95.9Very high94.6Very high18 Ų1854.3 Ų54.39%0.09232%0.322CS..Hα-helixtrans-63.8-47.4176.5-62.9164.9000110.6W203 L209 T210 A211 M216 F217 C218 L262W203-I214 HydrophobicContact CH2-CD1 4.06Å; W203-I214 HydrophobicContact CH2-CG1 4.35Å; W203-I214 HydrophobicContact CH2-CG2 4.29Å; W203-I214 HydrophobicContact CZ2-CD1 3.98Å; L209-I214 HydrophobicContact CB-CD1 4.31Å; L209-I214 HydrophobicContact CB-CG1 4.02Å; L209-I214 HydrophobicContact CD1-CG1 4.35Å; T210-I214 WeakPolarHBondContact O-CG1 3.28Å; T210-I214 PolarHBondContact O-N 3.08Å; T210-I214 VanDerWaalsContact O-N 3.14Å; A211-I214 PolarHBondContact O-N 3.01Å; I214-M216 VanDerWaalsContact C-N 3.27Å; I214-M216 PolarHBondContact O-N 3.27Å; I214-F217 PolarHBondContact O-N 3.37Å; I214-C218 PolarHBondContact O-N 3.25Å; I214-C218 PolarHBondContact O-SG 3.06Å; I214-L262 HydrophobicContact CG1-CD1 4.4Å; I214-L262 HydrophobicContact CG2-CD1 4.23Å
215D95.7Very high94.4Very high96 Ų9653.4 Ų53.451%0.51332%0.315SS..Hα-helixtrans-61.2-38.7176.7-78.8-17.8000111.5A211 C218 L219A211-D215 WeakPolarHBondContact O-CB 3.49Å; A211-D215 PolarHBondContact O-N 2.68Å; D215-C218 PolarHBondContact O-N 2.9Å; D215-L219 WeakPolarHBondContact O-CB 3.5Å; D215-L219 PolarHBondContact O-N 2.96Å
216M94.2Very high94.3Very high36 Ų3648.9 Ų48.918%0.17729%0.285CS..Hα-helixtrans-64.2-44.8175.2-165.668.858.400111.7Q212 E213 I214 C218 L219 L220 K633 I635Q212-M216 WeakPolarHBondContact O-CB 3.33Å; Q212-M216 PolarHBondContact O-N 3.09Å; E213-M216 WeakPolarHBondContact O-CB 3.4Å; E213-M216 PolarHBondContact O-N 2.91Å; I214-M216 VanDerWaalsContact C-N 3.27Å; I214-M216 PolarHBondContact O-N 3.27Å; M216-C218 VanDerWaalsContact C-N 3.34Å; M216-C218 PolarHBondContact O-N 3.19Å; M216-L219 WeakPolarHBondContact O-CB 3.4Å; M216-L219 PolarHBondContact O-N 3.37Å; M216-L219 HydrophobicContact SD-CD2 4.5Å; M216-L220 PolarHBondContact O-N 3.44Å; M216-K633 HydrophobicContact CE-CB 3.58Å; M216-K633 HydrophobicContact CE-CD 4.18Å; M216-K633 HydrophobicContact CE-CG 3.69Å; M216-K633 HydrophobicContact SD-CB 4.48Å; M216-K633 HydrophobicContact SD-CG 4.39Å; M216-I635 HydrophobicContact CB-CD1 4.1Å; M216-I635 HydrophobicContact CE-CD1 3.66Å; M216-I635 HydrophobicContact CG-CD1 3.46Å; M216-I635 VanDerWaalsContact CG-CD1 3.46Å; M216-I635 HydrophobicContact SD-CD1 4.07Å
217F96.1Very high94.3Very high6 Ų647.6 Ų47.63%0.02627%0.265CS..Hα-helixtrans-63.6-41.5178.4-171.6-97.1000111.4E213 I214 L219 L220 A221 A258 I261 L262 L269 A272 I273 L276E213-F217 WeakPolarHBondContact O-CB 3.39Å; E213-F217 PolarHBondContact O-N 3Å; I214-F217 PolarHBondContact O-N 3.37Å; F217-L219 VanDerWaalsContact C-N 3.32Å; F217-L219 PolarHBondContact O-N 3.2Å; F217-L220 WeakPolarHBondContact O-CB 3.48Å; F217-L220 PolarHBondContact O-N 2.77Å; F217-A221 PolarHBondContact O-N 3.47Å; F217-A258 HydrophobicContact CD1-CB 4.05Å; F217-A258 HydrophobicContact CE1-CB 4.08Å; F217-A258 VanDerWaalsContact CE1-O 3.31Å; F217-A258 WeakPolarHBondContact CE1-O 3.47Å; F217-I261 HydrophobicContact CE1-CB 4.31Å; F217-I261 HydrophobicContact CE1-CG2 4.14Å; F217-I261 HydrophobicContact CZ-CB 4.38Å; F217-I261 HydrophobicContact CZ-CG2 3.73Å; F217-L262 HydrophobicContact CB-CD1 4.33Å; F217-L262 HydrophobicContact CB-CD2 4.26Å; F217-L262 HydrophobicContact CD1-CD1 3.75Å; F217-L262 HydrophobicContact CD1-CD2 3.67Å; F217-L262 HydrophobicContact CD1-CG 3.48Å; F217-L262 VanDerWaalsContact CD1-CG 3.48Å; F217-L262 HydrophobicContact CD2-CD2 4.06Å; F217-L262 HydrophobicContact CE1-CD1 4.45Å; F217-L262 HydrophobicContact CE1-CD2 3.98Å; F217-L262 HydrophobicContact CE1-CG 3.74Å; F217-L262 HydrophobicContact CE2-CD2 4.35Å; F217-L262 HydrophobicContact CG-CD1 4.23Å; F217-L262 HydrophobicContact CG-CD2 3.71Å; F217-L262 HydrophobicContact CG-CG 4.04Å; F217-L262 HydrophobicContact CZ-CD2 4.32Å; F217-L262 HydrophobicContact CZ-CG 4.48Å; F217-L269 HydrophobicContact CB-CD2 4.44Å; F217-L269 HydrophobicContact CD2-CD2 4.35Å; F217-A272 HydrophobicContact CD2-CB 4.29Å; F217-A272 HydrophobicContact CE1-CB 4.4Å; F217-A272 HydrophobicContact CE2-CB 3.44Å; F217-A272 VanDerWaalsContact CE2-CB 3.44Å; F217-A272 HydrophobicContact CZ-CB 3.52Å; F217-I273 HydrophobicContact CD2-CG1 4.36Å; F217-I273 HydrophobicContact CE2-CG1 4.04Å; F217-L276 HydrophobicContact CD2-CD1 4.39Å; F217-L276 HydrophobicContact CE1-CD1 4.18Å; F217-L276 HydrophobicContact CE2-CD1 3.58Å; F217-L276 HydrophobicContact CE2-CG 4.27Å; F217-L276 HydrophobicContact CZ-CD1 3.46Å; F217-L276 VanDerWaalsContact CZ-CD1 3.46Å; F217-L276 HydrophobicContact CZ-CD2 4.32Å; F217-L276 HydrophobicContact CZ-CG 3.75Å
218C96.1Very high94.1Very high18 Ų1845.7 Ų45.712%0.12226%0.257CS..Hα-helixtrans-60.7-40.8173-67.90000111.9I214 D215 M216 A221 K222I214-C218 PolarHBondContact O-N 3.25Å; I214-C218 PolarHBondContact O-SG 3.06Å; D215-C218 PolarHBondContact O-N 2.9Å; M216-C218 VanDerWaalsContact C-N 3.34Å; M216-C218 PolarHBondContact O-N 3.19Å; C218-A221 PolarHBondContact O-N 2.81Å; C218-K222 WeakPolarHBondContact O-CB 3.38Å; C218-K222 PolarHBondContact O-N 3.45Å
219L95.7Very high93.9Very high83 Ų8340.6 Ų40.644%0.43522%0.221SC..Hα-helixtrans-65.5-39.4175.6-176.962.7000111.9D215 M216 F217 K222 A223D215-L219 WeakPolarHBondContact O-CB 3.5Å; D215-L219 PolarHBondContact O-N 2.96Å; M216-L219 WeakPolarHBondContact O-CB 3.4Å; M216-L219 PolarHBondContact O-N 3.37Å; M216-L219 HydrophobicContact SD-CD2 4.5Å; F217-L219 VanDerWaalsContact C-N 3.32Å; F217-L219 PolarHBondContact O-N 3.2Å; L219-K222 HydrophobicContact CD1-CD 4.49Å; L219-K222 WeakPolarHBondContact O-CB 3.5Å; L219-K222 PolarHBondContact O-N 3.05Å; L219-A223 PolarHBondContact O-N 3.12Å
220L94.8Very high93.4Very high24 Ų2443.1 Ų43.113%0.12624%0.244CC..Hα-helixtrans-63.7-46.4174.5-179.762.7000111.1M216 F217 K222 A223 V224 I273 L276 I626M216-L220 PolarHBondContact O-N 3.44Å; F217-L220 WeakPolarHBondContact O-CB 3.48Å; F217-L220 PolarHBondContact O-N 2.77Å; L220-K222 VanDerWaalsContact C-N 3.3Å; L220-K222 PolarHBondContact O-N 3.26Å; L220-A223 WeakPolarHBondContact O-CA 3.37Å; L220-A223 WeakPolarHBondContact O-CB 3.38Å; L220-A223 PolarHBondContact O-N 3.32Å; L220-V224 HydrophobicContact CD1-CG2 4.4Å; L220-V224 WeakPolarHBondContact O-CG2 3.4Å; L220-V224 PolarHBondContact O-N 3.22Å; L220-I273 HydrophobicContact CD2-CD1 4.25Å; L220-I273 HydrophobicContact CD2-CG1 3.78Å; L220-I273 HydrophobicContact CD2-CG2 4.48Å; L220-L276 HydrophobicContact CD2-CD1 4.15Å; L220-L276 HydrophobicContact CG-CD1 4.15Å; L220-I626 HydrophobicContact CD1-CG1 4.15Å
221A95.7Very high92.7Very high3 Ų345 Ų453%0.02525%0.247CC..Hα-helixtrans-57.8-42.3175.300000111.8F217 C218 V224 G225 T254 A258 L276F217-A221 PolarHBondContact O-N 3.47Å; C218-A221 PolarHBondContact O-N 2.81Å; A221-V224 PolarHBondContact O-N 2.92Å; A221-G225 PolarHBondContact O-N 3.47Å; A221-T254 HydrophobicContact CB-CG2 4.4Å; A221-A258 HydrophobicContact CB-CB 3.72Å; A221-L276 HydrophobicContact CB-CD1 4.3Å; A221-L276 HydrophobicContact CB-CD2 3.86Å
222K94.9Very high91.7Very high68 Ų6842.6 Ų42.630%0.29622%0.224SC..Hα-helixtrans-61.7-41.3172169176.3165166.30112.5C218 L219 L220 G225 T226 A249 S250C218-K222 WeakPolarHBondContact O-CB 3.38Å; C218-K222 PolarHBondContact O-N 3.45Å; L219-K222 HydrophobicContact CD1-CD 4.49Å; L219-K222 WeakPolarHBondContact O-CB 3.5Å; L219-K222 PolarHBondContact O-N 3.05Å; L220-K222 VanDerWaalsContact C-N 3.3Å; L220-K222 PolarHBondContact O-N 3.26Å; K222-G225 PolarHBondContact O-N 2.89Å; K222-T226 WeakPolarHBondContact O-CB 3.29Å; K222-T226 PolarHBondContact O-N 3.49Å; K222-T226 PolarHBondContact O-OG1 3.09Å; K222-A249 HydrophobicContact CG-CB 4.41Å; K222-S250 WeakPolarHBondContact CD-OG 3.35Å; K222-S250 WeakPolarHBondContact CE-OG 3.22Å; K222-S250 PolarHBondContact NZ-OG 3.35Å
223A93.5Very high90.4Very high30 Ų3041.9 Ų41.925%0.24823%0.228CC..Hα-helixtrans-65.3-44.9177.500000111.6L219 L220 T226 Y227 M629L219-A223 PolarHBondContact O-N 3.12Å; L220-A223 WeakPolarHBondContact O-CA 3.37Å; L220-A223 WeakPolarHBondContact O-CB 3.38Å; L220-A223 PolarHBondContact O-N 3.32Å; A223-T226 PolarHBondContact O-N 3.07Å; A223-Y227 WeakPolarHBondContact O-CB 2.94Å; A223-Y227 PolarHBondContact O-N 3.45Å; A223-M629 HydrophobicContact CB-CE 3.92Å
224V93.5Very high89.2Confident4 Ų442 Ų422%0.02424%0.236CC..Hα-helixtrans-59.8-45.9173.61730000110.5L220 A221 T226 Y227 G228 L277 P282L220-V224 HydrophobicContact CD1-CG2 4.4Å; L220-V224 WeakPolarHBondContact O-CG2 3.4Å; L220-V224 PolarHBondContact O-N 3.22Å; A221-V224 PolarHBondContact O-N 2.92Å; V224-T226 VanDerWaalsContact C-N 3.33Å; V224-T226 PolarHBondContact O-N 3.07Å; V224-Y227 PolarHBondContact O-N 2.76Å; V224-G228 PolarHBondContact O-N 3.24Å; V224-L277 HydrophobicContact CG1-CD2 3.76Å; V224-L277 HydrophobicContact CG2-CD2 4.18Å; V224-P282 HydrophobicContact CG1-CB 3.73Å
225G92.3Very high87.7Confident1 Ų141.3 Ų41.31%0.0123%0.234CC..Hα-helixtrans-64.5-34176.900000113.6A221 K222 R229A221-G225 PolarHBondContact O-N 3.47Å; K222-G225 PolarHBondContact O-N 2.89Å; G225-R229 VanDerWaalsContact O-CG 3.28Å; G225-R229 WeakPolarHBondContact O-CG 3.3Å; G225-R229 PolarHBondContact O-N 3.35Å; G225-R229 PolarHBondContact O-NH1 3.2Å
226T91.5Very high86.1Confident22 Ų2239.4 Ų39.414%0.13523%0.227CC..Hα-helixtrans-70.5-42.4174.2-54.90000110.6K222 A223 V224 R229 A230 L242 A249K222-T226 WeakPolarHBondContact O-CB 3.29Å; K222-T226 PolarHBondContact O-N 3.49Å; K222-T226 PolarHBondContact O-OG1 3.09Å; A223-T226 PolarHBondContact O-N 3.07Å; V224-T226 VanDerWaalsContact C-N 3.33Å; V224-T226 PolarHBondContact O-N 3.07Å; T226-R229 PolarHBondContact O-N 3.33Å; T226-A230 PolarHBondContact O-N 3.44Å; T226-L242 HydrophobicContact CG2-CD1 4.18Å; T226-A249 WeakPolarHBondContact OG1-CB 3.21Å
227Y89.4Confident84.4Confident80 Ų8042.6 Ų42.631%0.31425%0.249SC..Hα-helixtrans-64-46.2177.1178.7-112.4000111.7A223 V224 R229 A230 H231 P282 L622A223-Y227 WeakPolarHBondContact O-CB 2.94Å; A223-Y227 PolarHBondContact O-N 3.45Å; V224-Y227 PolarHBondContact O-N 2.76Å; Y227-R229 VanDerWaalsContact C-N 3.34Å; Y227-R229 PolarHBondContact O-N 2.66Å; Y227-A230 WeakPolarHBondContact O-CB 3.43Å; Y227-A230 PolarHBondContact O-N 2.96Å; Y227-A230 VanDerWaalsContact O-N 3.07Å; Y227-H231 AromaticContact CE1-CD2 3.89Å; Y227-H231 AromaticContact CE1-NE2 3.96Å; Y227-H231 AromaticContact CE2-CD2 3.63Å; Y227-H231 AromaticContact CE2-NE2 3.2Å; Y227-H231 WeakPolarHBondContact CE2-NE2 3.46Å; Y227-H231 AromaticContact CZ-CD2 3.52Å; Y227-H231 AromaticContact CZ-NE2 3.13Å; Y227-H231 PolarHBondContact O-CD2 2.6Å; Y227-H231 PolarHBondContact O-N 3.45Å; Y227-H231 PolarHBondContact OH-NE2 2.71Å; Y227-P282 HydrophobicContact CD1-CB 4.1Å; Y227-P282 HydrophobicContact CD1-CG 3.99Å; Y227-P282 HydrophobicContact CE1-CG 4.24Å; Y227-L622 HydrophobicContact CD1-CD1 4.4Å
228G89.4Confident82.6Confident2 Ų246.7 Ų46.72%0.02127%0.267CS..Hα-helixtrans-58.4-43.1176.600000112.7V224 A230 H231 D232 I284V224-G228 PolarHBondContact O-N 3.24Å; G228-A230 PolarHBondContact O-N 3.41Å; G228-H231 WeakPolarHBondContact O-CA 3.37Å; G228-H231 PolarHBondContact O-N 2.85Å; G228-D232 PolarHBondContact O-N 2.87Å; G228-I284 WeakPolarHBondContact O-CD1 3.37Å
229R88.5Confident80.9Confident3 Ų348.7 Ų48.71%0.01127%0.274CS..Hα-helixtrans-63.4-22.8176.8-73.6172177.380.2-2.5114.1G225 T226 Y227 H231 A245 I284 Y285 E290G225-R229 VanDerWaalsContact O-CG 3.28Å; G225-R229 WeakPolarHBondContact O-CG 3.3Å; G225-R229 PolarHBondContact O-N 3.35Å; G225-R229 PolarHBondContact O-NH1 3.2Å; T226-R229 PolarHBondContact O-N 3.33Å; Y227-R229 VanDerWaalsContact C-N 3.34Å; Y227-R229 PolarHBondContact O-N 2.66Å; R229-H231 VanDerWaalsContact C-N 3.34Å; R229-A245 HydrophobicContact CB-CB 4.28Å; R229-I284 HydrophobicContact CG-CD1 4.48Å; R229-I284 HydrophobicContact CG-CG2 3.94Å; R229-Y285 PolarHBondContact NH2-O 2.96Å; R229-E290 IonicContact CZ-OE1 4Å; R229-E290 IonicContact CZ-OE2 3.86Å; R229-E290 IonicContact NE-OE1 3.5Å; R229-E290 PolarHBondContact NE-OE1 2.64Å; R229-E290 IonicContact NE-OE2 3.47Å; R229-E290 PolarHBondContact NE-OE2 3.17Å; R229-E290 IonicContact NH2-OE1 3.61Å; R229-E290 PolarHBondContact NH2-OE1 3.08Å; R229-E290 IonicContact NH2-OE2 2.59Å; R229-E290 PolarHBondContact NH2-OE2 2.99Å
230A83.6Confident79.2Confident69 Ų6949.8 Ų49.857%0.5729%0.287SS*.Hα-helixtrans-76.5-24.6173.300000112.4T226 Y227 G228T226-A230 PolarHBondContact O-N 3.44Å; Y227-A230 WeakPolarHBondContact O-CB 3.43Å; Y227-A230 PolarHBondContact O-N 2.96Å; Y227-A230 VanDerWaalsContact O-N 3.07Å; G228-A230 PolarHBondContact O-N 3.41Å
231H80.3Confident78.4Confident116 Ų11653 Ų5354%0.53730%0.303SS..Hα-helixtrans-92.7-26.4177.6-77.6-76.3000113.2Y227 G228 R229 T233Y227-H231 AromaticContact CE1-CD2 3.89Å; Y227-H231 AromaticContact CE1-NE2 3.96Å; Y227-H231 AromaticContact CE2-CD2 3.63Å; Y227-H231 AromaticContact CE2-NE2 3.2Å; Y227-H231 WeakPolarHBondContact CE2-NE2 3.46Å; Y227-H231 AromaticContact CZ-CD2 3.52Å; Y227-H231 AromaticContact CZ-NE2 3.13Å; Y227-H231 PolarHBondContact O-CD2 2.6Å; Y227-H231 PolarHBondContact O-N 3.45Å; Y227-H231 PolarHBondContact OH-NE2 2.71Å; G228-H231 WeakPolarHBondContact O-CA 3.37Å; G228-H231 PolarHBondContact O-N 2.85Å; R229-H231 VanDerWaalsContact C-N 3.34Å; H231-T233 PolarHBondContact O-N 3.22Å
232D75Confident77.9Confident23 Ų2359 Ų5912%0.12334%0.335CS..  trans-79116.3175.8171.837.6000111.7G228 S234 S235 S236 I284 R286G228-D232 PolarHBondContact O-N 2.87Å; D232-S234 PolarHBondContact O-N 2.88Å; D232-S234 WeakPolarHBondContact OD1-CB 3.38Å; D232-S234 PolarHBondContact OD1-N 3.26Å; D232-S234 VanDerWaalsContact OD1-N 3.09Å; D232-S234 PolarHBondContact OD1-OG 3.26Å; D232-S234 WeakPolarHBondContact OD2-CB 3.49Å; D232-S235 PolarHBondContact O-N 2.76Å; D232-S235 WeakPolarHBondContact OD2-CB 3.48Å; D232-S235 PolarHBondContact OD2-N 3.05Å; D232-S235 PolarHBondContact OD2-OG 3.36Å; D232-S235 VanDerWaalsContact OD2-OG 3.04Å; D232-S236 WeakPolarHBondContact O-CB 3.18Å; D232-S236 PolarHBondContact O-N 2.9Å; D232-I284 HydrophobicContact CB-CD1 3.78Å; D232-R286 IonicContact OD1-NH2 3.96Å; D232-R286 IonicContact OD2-CZ 3.64Å; D232-R286 IonicContact OD2-NH2 3.64Å; D232-R286 PolarHBondContact OD2-NH2 2.82Å
233T67.8Low77.5Confident111 Ų11160.2 Ų60.268%0.68134%0.344SS*.Hα-helixtrans-58.4-32.9178.5-47.50000112.1H231 T237H231-T233 PolarHBondContact O-N 3.22Å; T233-T237 WeakPolarHBondContact O-CG2 3.38Å; T233-T237 PolarHBondContact O-N 3.1Å; T233-T237 PolarHBondContact O-OG1 3.04Å
234S69.8Low77.1Confident68 Ų6860.5 Ų60.548%0.47634%0.344SS..Hα-helixtrans-68.8-44.5-179.3-45.60000111.5D232 T237 K238D232-S234 PolarHBondContact O-N 2.88Å; D232-S234 WeakPolarHBondContact OD1-CB 3.38Å; D232-S234 PolarHBondContact OD1-N 3.26Å; D232-S234 VanDerWaalsContact OD1-N 3.09Å; D232-S234 PolarHBondContact OD1-OG 3.26Å; D232-S234 WeakPolarHBondContact OD2-CB 3.49Å; S234-T237 PolarHBondContact O-OG1 2.98Å; S234-T237 VanDerWaalsContact O-OG1 3.08Å; S234-K238 WeakPolarHBondContact O-CG 3.49Å
235S65Low76.8Confident5 Ų560.8 Ų60.84%0.03535%0.347CS..Hα-helixtrans-73.5-37.5175.3-73.30000113D232 T237 K238 Q239 R286D232-S235 PolarHBondContact O-N 2.76Å; D232-S235 WeakPolarHBondContact OD2-CB 3.48Å; D232-S235 PolarHBondContact OD2-N 3.05Å; D232-S235 PolarHBondContact OD2-OG 3.36Å; D232-S235 VanDerWaalsContact OD2-OG 3.04Å; S235-T237 VanDerWaalsContact C-N 3.3Å; S235-T237 PolarHBondContact O-N 3.37Å; S235-K238 PolarHBondContact O-N 3.11Å; S235-Q239 PolarHBondContact O-N 3.11Å; S235-R286 PolarHBondContact OG-NE 3.03Å
236S61.2Low76.8Confident55 Ų5562.6 Ų62.639%0.38536%0.357SS..Hα-helixtrans-65.3-32.2-177.3-172.40000113D232 P240D232-S236 WeakPolarHBondContact O-CB 3.18Å; D232-S236 PolarHBondContact O-N 2.9Å; S236-P240 WeakPolarHBondContact O-CA 3.37Å
237T59Low76.8Confident104 Ų10464.1 Ų64.164%0.63837%0.372SS*.Hα-helixtrans-76-39.6174.450.40000113T233 S234 S235T233-T237 WeakPolarHBondContact O-CG2 3.38Å; T233-T237 PolarHBondContact O-N 3.1Å; T233-T237 PolarHBondContact O-OG1 3.04Å; S234-T237 PolarHBondContact O-OG1 2.98Å; S234-T237 VanDerWaalsContact O-OG1 3.08Å; S235-T237 VanDerWaalsContact C-N 3.3Å; S235-T237 PolarHBondContact O-N 3.37Å
238K58.7Low76.9Confident91 Ų9160.8 Ų60.840%0.39636%0.361SS..Hα-helixtrans-73-35.3177.2-68.3-175.2-171.5-177.60112.8S234 S235 E290 D291 W292S234-K238 WeakPolarHBondContact O-CG 3.49Å; S235-K238 PolarHBondContact O-N 3.11Å; K238-E290 PolarHBondContact NZ-O 3.36Å; K238-D291 PolarHBondContact NZ-O 3.12Å; K238-W292 PolarHBondContact NZ-O 3.04Å
239Q60Low77.1Confident60 Ų6060.7 Ų60.728%0.2836%0.36SS..  trans-130.262.9-172.9-56.6-58.4-3.700111.5S235 L241 S244S235-Q239 PolarHBondContact O-N 3.11Å; Q239-L241 PolarHBondContact O-N 2.9Å; Q239-S244 PolarHBondContact OE1-OG 3.16Å
240P59.6Low77.4Confident107 Ų10763 Ų6370%0.69538%0.377SS*.  trans-65.9-17-175.728.8-36.6000112.6S236S236-P240 WeakPolarHBondContact O-CA 3.37Å
241L77.5Confident77.9Confident90 Ų9062.5 Ų62.547%0.47136%0.36SS..SBendtrans-86.6127.6178.6-13374.9000110.3Q239 L243 S244 A245Q239-L241 PolarHBondContact O-N 2.9Å; L241-L243 HydrophobicContact CD2-CB 4.35Å; L241-L243 PolarHBondContact O-N 3.41Å; L241-L243 VanDerWaalsContact O-N 3.13Å; L241-S244 WeakPolarHBondContact O-CA 3.44Å; L241-S244 PolarHBondContact O-N 2.93Å; L241-A245 PolarHBondContact O-N 3.24Å; L241-A245 VanDerWaalsContact O-N 3.09Å
242L86.3Confident78.7Confident130 Ų13063 Ų6368%0.68137%0.367SS*.Hα-helixtrans-49.7-40.8173.517562.8000112.2T226 S244 A245 T246T226-L242 HydrophobicContact CG2-CD1 4.18Å; L242-S244 PolarHBondContact O-N 3.25Å; L242-A245 PolarHBondContact O-N 3.39Å; L242-T246 VanDerWaalsContact O-CB 3.29Å; L242-T246 WeakPolarHBondContact O-CB 3.48Å; L242-T246 PolarHBondContact O-N 3.05Å; L242-T246 PolarHBondContact O-OG1 3.29Å
243L86.6Confident79.7Confident94 Ų9463.8 Ų63.849%0.49237%0.37SS..Hα-helixtrans-59.4-37.9178.5-177.660.5000111.6L241 A247L241-L243 HydrophobicContact CD2-CB 4.35Å; L241-L243 PolarHBondContact O-N 3.41Å; L241-L243 VanDerWaalsContact O-N 3.13Å; L243-A247 VanDerWaalsContact O-CB 3.28Å; L243-A247 WeakPolarHBondContact O-CB 2.96Å; L243-A247 PolarHBondContact O-N 2.96Å
244S83.8Confident81.1Confident35 Ų3558.6 Ų58.625%0.24534%0.339CS..Hα-helixtrans-80.1-37.5-177.2-151.40000112.9Q239 L241 L242 T246 A247 S248Q239-S244 PolarHBondContact OE1-OG 3.16Å; L241-S244 WeakPolarHBondContact O-CA 3.44Å; L241-S244 PolarHBondContact O-N 2.93Å; L242-S244 PolarHBondContact O-N 3.25Å; S244-T246 VanDerWaalsContact C-N 3.31Å; S244-T246 PolarHBondContact O-N 3.47Å; S244-A247 PolarHBondContact O-N 3.47Å; S244-S248 WeakPolarHBondContact O-CB 3.39Å; S244-S248 PolarHBondContact O-N 3Å; S244-S248 PolarHBondContact O-OG 2.9Å
245A88.4Confident82.3Confident10 Ų1061.8 Ų61.88%0.08334%0.34CS..Hα-helixtrans-61.1-42.2168.700000111.4R229 L241 L242 S248 A249R229-A245 HydrophobicContact CB-CB 4.28Å; L241-A245 PolarHBondContact O-N 3.24Å; L241-A245 VanDerWaalsContact O-N 3.09Å; L242-A245 PolarHBondContact O-N 3.39Å; A245-S248 PolarHBondContact O-N 3.1Å; A245-A249 WeakPolarHBondContact O-CB 3.5Å; A245-A249 PolarHBondContact O-N 3.43Å
246T91.4Very high83.8Confident39 Ų3965.2 Ų65.224%0.23936%0.356CS..Hα-helixtrans-64.5-44.1176.3-55.40000111.1L242 S244 A249 S250L242-T246 VanDerWaalsContact O-CB 3.29Å; L242-T246 WeakPolarHBondContact O-CB 3.48Å; L242-T246 PolarHBondContact O-N 3.05Å; L242-T246 PolarHBondContact O-OG1 3.29Å; S244-T246 VanDerWaalsContact C-N 3.31Å; S244-T246 PolarHBondContact O-N 3.47Å; T246-A249 PolarHBondContact O-N 3.21Å; T246-S250 WeakPolarHBondContact O-CB 3.49Å; T246-S250 PolarHBondContact O-N 2.99Å; T246-S250 PolarHBondContact O-OG 3.17Å
247A91.7Very high85.4Confident54 Ų5463.7 Ų63.745%0.44634%0.343SS..Hα-helixtrans-62.8-42.2177.300000111.5L243 S244 S250 R251L243-A247 VanDerWaalsContact O-CB 3.28Å; L243-A247 WeakPolarHBondContact O-CB 2.96Å; L243-A247 PolarHBondContact O-N 2.96Å; S244-A247 PolarHBondContact O-N 3.47Å; A247-S250 WeakPolarHBondContact O-CB 3.45Å; A247-S250 PolarHBondContact O-N 3.42Å; A247-S250 VanDerWaalsContact O-N 3.08Å; A247-R251 PolarHBondContact O-N 3.44Å
248S91.1Very high87.2Confident11 Ų1158.8 Ų58.88%0.07731%0.312CS..Hα-helixtrans-63-46.5176.8-54.80000111.6S244 A245 S250 R251S244-S248 WeakPolarHBondContact O-CB 3.39Å; S244-S248 PolarHBondContact O-N 3Å; S244-S248 PolarHBondContact O-OG 2.9Å; A245-S248 PolarHBondContact O-N 3.1Å; S248-S250 PolarHBondContact O-N 3.39Å; S248-R251 WeakPolarHBondContact O-CB 3.23Å; S248-R251 WeakPolarHBondContact O-CG 3.36Å; S248-R251 PolarHBondContact O-N 3.22Å
249A93.6Very high89Confident0 Ų056.1 Ų56.10%030%0.301CS..Hα-helixtrans-68.3-11.5173.700000114.1K222 T226 A245 T246 T254K222-A249 HydrophobicContact CG-CB 4.41Å; T226-A249 WeakPolarHBondContact OG1-CB 3.21Å; A245-A249 WeakPolarHBondContact O-CB 3.5Å; A245-A249 PolarHBondContact O-N 3.43Å; T246-A249 PolarHBondContact O-N 3.21Å; A249-T254 WeakPolarHBondContact O-CB 3.28Å; A249-T254 WeakPolarHBondContact O-CG2 3.27Å; A249-T254 PolarHBondContact O-OG1 2.91Å
250S95.2Very high90.7Very high52 Ų5254.9 Ų54.936%0.36430%0.296SS..THydrogen-bonded Turntrans-92-1.4175.5-54.70000113.3K222 T246 A247 S248K222-S250 WeakPolarHBondContact CD-OG 3.35Å; K222-S250 WeakPolarHBondContact CE-OG 3.22Å; K222-S250 PolarHBondContact NZ-OG 3.35Å; T246-S250 WeakPolarHBondContact O-CB 3.49Å; T246-S250 PolarHBondContact O-N 2.99Å; T246-S250 PolarHBondContact O-OG 3.17Å; A247-S250 WeakPolarHBondContact O-CB 3.45Å; A247-S250 PolarHBondContact O-N 3.42Å; A247-S250 VanDerWaalsContact O-N 3.08Å; S248-S250 PolarHBondContact O-N 3.39Å
251R94.8Very high92.4Very high58 Ų5850 Ų5022%0.21926%0.264CS..SBendtrans-70.2154.6-179.7-67176.361.5708110.8A247 S248 I253 T254 D287A247-R251 PolarHBondContact O-N 3.44Å; S248-R251 WeakPolarHBondContact O-CB 3.23Å; S248-R251 WeakPolarHBondContact O-CG 3.36Å; S248-R251 PolarHBondContact O-N 3.22Å; R251-I253 HydrophobicContact CB-CG2 4.42Å; R251-I253 PolarHBondContact O-N 3.37Å; R251-I253 VanDerWaalsContact O-N 3.08Å; R251-T254 PolarHBondContact O-N 2.84Å; R251-D287 IonicContact CZ-OD1 3.58Å; R251-D287 IonicContact CZ-OD2 2.69Å; R251-D287 IonicContact NE-OD1 3.05Å; R251-D287 PolarHBondContact NE-OD1 3.44Å; R251-D287 VanDerWaalsContact NE-OD1 3.07Å; R251-D287 IonicContact NE-OD2 3.29Å; R251-D287 PolarHBondContact NE-OD2 3.09Å; R251-D287 IonicContact NH2-OD1 2.75Å; R251-D287 PolarHBondContact NH2-OD1 2.66Å; R251-D287 IonicContact NH2-OD2 3.33Å; R251-D287 PolarHBondContact NH2-OD2 2.99Å
252D96.7Very high93.4Very high126 Ų12645.7 Ų45.767%0.67424%0.242SC*.Hα-helixtrans-58.2-28.6-172.3-64.5-42000113.4T254 R255 Q256D252-T254 VanDerWaalsContact C-N 3.28Å; D252-T254 PolarHBondContact O-N 3.08Å; D252-R255 CarbonylContact O-C 3.49Å; D252-R255 PolarHBondContact O-N 3.38Å; D252-R255 VanDerWaalsContact O-N 3.12Å; D252-Q256 WeakPolarHBondContact O-CB 3.26Å; D252-Q256 PolarHBondContact O-N 3.18Å
253I96.1Very high93.9Very high40 Ų4041.4 Ų41.421%0.20522%0.218CC..Hα-helixtrans-57.8-40.7175.3-166.6174.7000112.3R251 R255 Q256 H257 R286 D287R251-I253 HydrophobicContact CB-CG2 4.42Å; R251-I253 PolarHBondContact O-N 3.37Å; R251-I253 VanDerWaalsContact O-N 3.08Å; I253-R255 VanDerWaalsContact C-N 3.34Å; I253-Q256 PolarHBondContact O-N 2.84Å; I253-H257 PolarHBondContact O-CD2 3.33Å; I253-H257 PolarHBondContact O-N 3.44Å; I253-R286 VanDerWaalsContact CD1-C 3.47Å; I253-R286 VanDerWaalsContact CD1-O 3.23Å; I253-R286 WeakPolarHBondContact CD1-O 3.3Å; I253-D287 HydrophobicContact CB-CB 4.28Å; I253-D287 HydrophobicContact CD1-CB 3.98Å; I253-D287 HydrophobicContact CG2-CB 4.14Å
254T95.9Very high94.3Very high2 Ų241.7 Ų41.71%0.01222%0.217CC..Hα-helixtrans-69-37.8178.2-59.20000110.6A221 A249 R251 D252 A258A221-T254 HydrophobicContact CB-CG2 4.4Å; A249-T254 WeakPolarHBondContact O-CB 3.28Å; A249-T254 WeakPolarHBondContact O-CG2 3.27Å; A249-T254 PolarHBondContact O-OG1 2.91Å; R251-T254 PolarHBondContact O-N 2.84Å; D252-T254 VanDerWaalsContact C-N 3.28Å; D252-T254 PolarHBondContact O-N 3.08Å; T254-A258 PolarHBondContact O-N 3.13Å; T254-A258 VanDerWaalsContact O-N 3.08Å
255R95.7Very high94.8Very high134 Ų13440.3 Ų40.351%0.50621%0.208SC..Hα-helixtrans-67.2-46.6176.2-173.8178.5-175.7169.65.8111.6D252 I253 H257 A258 H259D252-R255 CarbonylContact O-C 3.49Å; D252-R255 PolarHBondContact O-N 3.38Å; D252-R255 VanDerWaalsContact O-N 3.12Å; I253-R255 VanDerWaalsContact C-N 3.34Å; R255-H257 VanDerWaalsContact C-N 3.35Å; R255-H257 PolarHBondContact O-N 2.86Å; R255-A258 WeakPolarHBondContact O-CA 3.23Å; R255-A258 VanDerWaalsContact O-CB 3.29Å; R255-A258 WeakPolarHBondContact O-CB 3.28Å; R255-A258 PolarHBondContact O-N 3.1Å; R255-H259 PolarHBondContact O-CD2 2.73Å; R255-H259 VanDerWaalsContact O-CD2 3.26Å; R255-H259 PolarHBondContact O-N 3.27Å; R255-H259 VanDerWaalsContact O-N 3.09Å
256Q96.3Very high95.2Very high78 Ų7846.1 Ų46.136%0.36424%0.238SC..Hα-helixtrans-57.9-48.6178.3-177.961.449.500110.6D252 I253 A258 H259 D260D252-Q256 WeakPolarHBondContact O-CB 3.26Å; D252-Q256 PolarHBondContact O-N 3.18Å; I253-Q256 PolarHBondContact O-N 2.84Å; Q256-A258 PolarHBondContact O-N 3.29Å; Q256-H259 WeakPolarHBondContact O-CA 3.31Å; Q256-H259 WeakPolarHBondContact O-CB 3.15Å; Q256-H259 PolarHBondContact O-N 2.48Å; Q256-D260 PolarHBondContact NE2-OD1 3Å; Q256-D260 VanDerWaalsContact O-CG 3.23Å; Q256-D260 PolarHBondContact O-N 3.49Å
257H95.2Very high95.4Very high23 Ų2345.5 Ų45.511%0.10623%0.231CC..Hα-helixtrans-64.2-29176.6-74.8-60.1000113.3I253 R255 D260 I261 Y285I253-H257 PolarHBondContact O-CD2 3.33Å; I253-H257 PolarHBondContact O-N 3.44Å; R255-H257 VanDerWaalsContact C-N 3.35Å; R255-H257 PolarHBondContact O-N 2.86Å; H257-D260 IonicContact ND1-OD2 2.69Å; H257-D260 PolarHBondContact O-N 3.17Å; H257-I261 WeakPolarHBondContact O-CB 3.48Å; H257-I261 VanDerWaalsContact O-CG1 3.25Å; H257-I261 WeakPolarHBondContact O-CG1 3.42Å; H257-I261 PolarHBondContact O-N 3.25Å; H257-Y285 HydrophobicContact CB-CD1 3.96Å; H257-Y285 HydrophobicContact CB-CD2 3.82Å; H257-Y285 HydrophobicContact CB-CE1 3.81Å; H257-Y285 HydrophobicContact CB-CE2 3.68Å; H257-Y285 HydrophobicContact CB-CG 3.95Å; H257-Y285 AromaticContact CD2-CD1 3.11Å; H257-Y285 WeakPolarHBondContact CD2-CD1 3.4Å; H257-Y285 AromaticContact CD2-CE1 3.68Å; H257-Y285 AromaticContact CD2-CG 3.37Å; H257-Y285 AromaticContact CG-CD1 3.49Å; H257-Y285 VanDerWaalsContact CG-CD1 3.49Å; H257-Y285 AromaticContact CG-CE1 3.55Å; H257-Y285 AromaticContact CG-CG 3.84Å; H257-Y285 AromaticContact CG-CZ 3.96Å; H257-Y285 AromaticContact ND1-CE1 3.93Å; H257-Y285 AromaticContact NE2-CD1 3.59Å
258A96.4Very high95.5Very high0 Ų045.5 Ų45.50%022%0.223CC..Hα-helixtrans-63.6-42.3171.200000111.4F217 A221 T254 R255 Q256 L262F217-A258 HydrophobicContact CD1-CB 4.05Å; F217-A258 HydrophobicContact CE1-CB 4.08Å; F217-A258 VanDerWaalsContact CE1-O 3.31Å; F217-A258 WeakPolarHBondContact CE1-O 3.47Å; A221-A258 HydrophobicContact CB-CB 3.72Å; T254-A258 PolarHBondContact O-N 3.13Å; T254-A258 VanDerWaalsContact O-N 3.08Å; R255-A258 WeakPolarHBondContact O-CA 3.23Å; R255-A258 VanDerWaalsContact O-CB 3.29Å; R255-A258 WeakPolarHBondContact O-CB 3.28Å; R255-A258 PolarHBondContact O-N 3.1Å; Q256-A258 PolarHBondContact O-N 3.29Å; A258-L262 WeakPolarHBondContact O-CG 3.5Å; A258-L262 PolarHBondContact O-N 3.27Å; A258-L262 VanDerWaalsContact O-N 3.08Å
259H96.5Very high95.7Very high36 Ų3646.6 Ų46.617%0.16723%0.228CC..Hα-helixtrans-65.2-42.8173.8-76.3-85.8000112.3W203 R255 Q256 I261 L262 H263W203-H259 HydrophobicContact CE3-CB 3.83Å; W203-H259 AromaticContact CE3-ND1 3.55Å; W203-H259 AromaticContact CH2-CE1 3.89Å; W203-H259 AromaticContact CH2-ND1 3.17Å; W203-H259 WeakPolarHBondContact CH2-ND1 3.39Å; W203-H259 AromaticContact CZ2-ND1 3.71Å; W203-H259 HydrophobicContact CZ3-CB 3.78Å; W203-H259 AromaticContact CZ3-CG 3.79Å; W203-H259 AromaticContact CZ3-ND1 3.08Å; W203-H259 WeakPolarHBondContact CZ3-ND1 3.48Å; R255-H259 PolarHBondContact O-CD2 2.73Å; R255-H259 VanDerWaalsContact O-CD2 3.26Å; R255-H259 PolarHBondContact O-N 3.27Å; R255-H259 VanDerWaalsContact O-N 3.09Å; Q256-H259 WeakPolarHBondContact O-CA 3.31Å; Q256-H259 WeakPolarHBondContact O-CB 3.15Å; Q256-H259 PolarHBondContact O-N 2.48Å; H259-I261 VanDerWaalsContact C-N 3.34Å; H259-I261 PolarHBondContact O-N 3.23Å; H259-L262 WeakPolarHBondContact O-CB 3.17Å; H259-L262 PolarHBondContact O-N 3.42Å; H259-H263 PolarHBondContact O-N 3.11Å
260D96.2Very high95.6Very high33 Ų3350 Ų5018%0.17625%0.246CC..Hα-helixtrans-61.6-42.8178.3-59.2-15.2000110.8V202 Q256 H257 H263 E264V202-D260 WeakPolarHBondContact CG1-OD1 3.17Å; Q256-D260 PolarHBondContact NE2-OD1 3Å; Q256-D260 VanDerWaalsContact O-CG 3.23Å; Q256-D260 PolarHBondContact O-N 3.49Å; H257-D260 IonicContact ND1-OD2 2.69Å; H257-D260 PolarHBondContact O-N 3.17Å; D260-H263 PolarHBondContact O-N 2.88Å; D260-E264 WeakPolarHBondContact O-CB 3.37Å; D260-E264 PolarHBondContact O-N 3.35Å
261I95.9Very high95.5Very high4 Ų453 Ų532%0.02125%0.253CS..Hα-helixtrans-64.3-41.5176.3-72.9167.9000111.6F217 H257 H259 H263 E264 A265 A272 L275 L276 Y285F217-I261 HydrophobicContact CE1-CB 4.31Å; F217-I261 HydrophobicContact CE1-CG2 4.14Å; F217-I261 HydrophobicContact CZ-CB 4.38Å; F217-I261 HydrophobicContact CZ-CG2 3.73Å; H257-I261 WeakPolarHBondContact O-CB 3.48Å; H257-I261 VanDerWaalsContact O-CG1 3.25Å; H257-I261 WeakPolarHBondContact O-CG1 3.42Å; H257-I261 PolarHBondContact O-N 3.25Å; H259-I261 VanDerWaalsContact C-N 3.34Å; H259-I261 PolarHBondContact O-N 3.23Å; I261-H263 PolarHBondContact O-N 3.05Å; I261-E264 PolarHBondContact O-N 3.09Å; I261-A265 WeakPolarHBondContact O-CB 3.46Å; I261-A265 PolarHBondContact O-N 3.37Å; I261-A272 HydrophobicContact CG2-CB 3.93Å; I261-A272 WeakPolarHBondContact CG2-O 3.33Å; I261-L275 HydrophobicContact CG2-CB 3.7Å; I261-L275 HydrophobicContact CG2-CD1 4.06Å; I261-L276 HydrophobicContact CD1-CD2 3.57Å; I261-L276 HydrophobicContact CD1-CG 4.23Å; I261-Y285 WeakPolarHBondContact CD1-OH 2.97Å
262L96.8Very high95.5Very high0 Ų050.2 Ų50.20%024%0.242CC..Hα-helixtrans-59.3-40.5175.3-74.8172.6000110.8W203 L209 I214 F217 A258 H259 Y267 L269 A272W203-L262 HydrophobicContact CH2-CD1 4.14Å; W203-L262 HydrophobicContact CZ3-CB 4.05Å; W203-L262 HydrophobicContact CZ3-CD1 4.15Å; L209-L262 HydrophobicContact CD1-CD1 4.4Å; L209-L262 HydrophobicContact CD1-CD2 3.85Å; I214-L262 HydrophobicContact CG1-CD1 4.4Å; I214-L262 HydrophobicContact CG2-CD1 4.23Å; F217-L262 HydrophobicContact CB-CD1 4.33Å; F217-L262 HydrophobicContact CB-CD2 4.26Å; F217-L262 HydrophobicContact CD1-CD1 3.75Å; F217-L262 HydrophobicContact CD1-CD2 3.67Å; F217-L262 HydrophobicContact CD1-CG 3.48Å; F217-L262 VanDerWaalsContact CD1-CG 3.48Å; F217-L262 HydrophobicContact CD2-CD2 4.06Å; F217-L262 HydrophobicContact CE1-CD1 4.45Å; F217-L262 HydrophobicContact CE1-CD2 3.98Å; F217-L262 HydrophobicContact CE1-CG 3.74Å; F217-L262 HydrophobicContact CE2-CD2 4.35Å; F217-L262 HydrophobicContact CG-CD1 4.23Å; F217-L262 HydrophobicContact CG-CD2 3.71Å; F217-L262 HydrophobicContact CG-CG 4.04Å; F217-L262 HydrophobicContact CZ-CD2 4.32Å; F217-L262 HydrophobicContact CZ-CG 4.48Å; A258-L262 WeakPolarHBondContact O-CG 3.5Å; A258-L262 PolarHBondContact O-N 3.27Å; A258-L262 VanDerWaalsContact O-N 3.08Å; H259-L262 WeakPolarHBondContact O-CB 3.17Å; H259-L262 PolarHBondContact O-N 3.42Å; L262-Y267 HydrophobicContact CB-CD1 4.39Å; L262-Y267 VanDerWaalsContact O-CA 3.31Å; L262-Y267 WeakPolarHBondContact O-CA 3.4Å; L262-Y267 PolarHBondContact O-N 3.34Å; L262-L269 HydrophobicContact CD2-CD2 3.93Å; L262-A272 HydrophobicContact CD2-CB 3.93Å
263H96.9Very high95.3Very high41 Ų4144.8 Ų44.819%0.1921%0.213CC..Hα-helixtrans-69.2-47.9176.5-172.560.4000112.4L201 V202 H259 D260 I261 A265 N266 Y267L201-H263 PolarHBondContact O-CD2 3.25Å; L201-H263 PolarHBondContact O-NE2 3.31Å; V202-H263 VanDerWaalsContact O-CB 3.3Å; V202-H263 WeakPolarHBondContact O-CB 3.4Å; V202-H263 PolarHBondContact O-CD2 2.98Å; V202-H263 VanDerWaalsContact O-CG 3.25Å; H259-H263 PolarHBondContact O-N 3.11Å; D260-H263 PolarHBondContact O-N 2.88Å; I261-H263 PolarHBondContact O-N 3.05Å; H263-A265 PolarHBondContact O-N 2.91Å; H263-N266 PolarHBondContact O-N 2.99Å; H263-Y267 AromaticContact ND1-CE2 3.69Å; H263-Y267 AromaticContact ND1-CZ 3.47Å; H263-Y267 PolarHBondContact ND1-OH 3.43Å
264E95.1Very high95Very high99 Ų9946.5 Ų46.546%0.46322%0.223SC..Hα-helixtrans-56.4-34.3175.6-173.5-179.3173.100111.4D260 I261 N266 L275 R658D260-E264 WeakPolarHBondContact O-CB 3.37Å; D260-E264 PolarHBondContact O-N 3.35Å; I261-E264 PolarHBondContact O-N 3.09Å; E264-N266 VanDerWaalsContact C-N 3.25Å; E264-N266 PolarHBondContact O-N 2.65Å; E264-L275 HydrophobicContact CB-CD1 4.43Å; E264-L275 HydrophobicContact CG-CD1 4.2Å; E264-R658 IonicContact OE1-CZ 3.11Å; E264-R658 IonicContact OE1-NH1 3.28Å; E264-R658 PolarHBondContact OE1-NH1 2.9Å; E264-R658 IonicContact OE1-NH2 3.97Å; E264-R658 PolarHBondContact OE1-NH2 3.02Å; E264-R658 IonicContact OE2-CZ 3.46Å; E264-R658 IonicContact OE2-NH1 3.77Å; E264-R658 PolarHBondContact OE2-NH1 3.05Å
265A95.3Very high94.9Very high6 Ų648.7 Ų48.75%0.0523%0.234CC..THydrogen-bonded Turntrans-80.86.7176.900000114.6I261 H263 Y267 D268 K271 A272 L275I261-A265 WeakPolarHBondContact O-CB 3.46Å; I261-A265 PolarHBondContact O-N 3.37Å; H263-A265 PolarHBondContact O-N 2.91Å; A265-Y267 PolarHBondContact O-N 3.48Å; A265-D268 WeakPolarHBondContact O-CB 3.48Å; A265-D268 PolarHBondContact O-N 3.38Å; A265-D268 VanDerWaalsContact O-N 3.13Å; A265-K271 HydrophobicContact CB-CB 3.93Å; A265-A272 HydrophobicContact CB-CB 3.72Å; A265-L275 HydrophobicContact CB-CD1 4.16Å
266N95.5Very high94.7Very high133 Ų13342.5 Ų42.571%0.71121%0.211SC*.THydrogen-bonded Turntrans51.238.3-171.4-72-29.4000112.7H263 E264 D268H263-N266 PolarHBondContact O-N 2.99Å; E264-N266 VanDerWaalsContact C-N 3.25Å; E264-N266 PolarHBondContact O-N 2.65Å; N266-D268 PolarHBondContact O-N 3.16Å
267Y96.4Very high94.3Very high26 Ų2639.3 Ų39.310%0.10220%0.197CC..THydrogen-bonded Turntrans61.618.5180-53.1-77.9000115.1W203 S204 H207 L209 L262 H263 A265W203-Y267 HydrophobicContact CE3-CE1 4.13Å; W203-Y267 HydrophobicContact CH2-CE1 4.2Å; W203-Y267 AromaticContact CZ3-CE1 3.94Å; W203-Y267 HydrophobicContact CZ3-CE1 3.94Å; S204-Y267 PolarHBondContact N-OH 3.39Å; H207-Y267 HydrophobicContact CB-CD1 3.61Å; H207-Y267 HydrophobicContact CB-CD2 3.66Å; H207-Y267 HydrophobicContact CB-CE1 3.93Å; H207-Y267 HydrophobicContact CB-CE2 3.97Å; H207-Y267 HydrophobicContact CB-CG 3.47Å; H207-Y267 VanDerWaalsContact CB-CG 3.47Å; H207-Y267 AromaticContact CD2-CD1 3.74Å; H207-Y267 AromaticContact CD2-CE1 3.5Å; H207-Y267 VanDerWaalsContact CD2-CE1 3.5Å; H207-Y267 WeakPolarHBondContact CD2-CE1 3.43Å; H207-Y267 AromaticContact CG-CD1 3.82Å; H207-Y267 AromaticContact CG-CE1 3.99Å; L209-Y267 HydrophobicContact CD1-CD1 4.01Å; L209-Y267 WeakPolarHBondContact CD2-O 3.44Å; L262-Y267 HydrophobicContact CB-CD1 4.39Å; L262-Y267 VanDerWaalsContact O-CA 3.31Å; L262-Y267 WeakPolarHBondContact O-CA 3.4Å; L262-Y267 PolarHBondContact O-N 3.34Å; H263-Y267 AromaticContact ND1-CE2 3.69Å; H263-Y267 AromaticContact ND1-CZ 3.47Å; H263-Y267 PolarHBondContact ND1-OH 3.43Å; A265-Y267 PolarHBondContact O-N 3.48Å
268D95Very high93.9Very high53 Ų5341.5 Ų41.528%0.28321%0.213SC..  trans-85.5109.2170.1-179.1-15.2000109.8A265 N266 N270 K271 A272A265-D268 WeakPolarHBondContact O-CB 3.48Å; A265-D268 PolarHBondContact O-N 3.38Å; A265-D268 VanDerWaalsContact O-N 3.13Å; N266-D268 PolarHBondContact O-N 3.16Å; D268-N270 PolarHBondContact O-N 3.15Å; D268-N270 PolarHBondContact OD1-N 3.38Å; D268-K271 HydrophobicContact CB-CB 4.11Å; D268-K271 HydrophobicContact CB-CD 3.96Å; D268-K271 HydrophobicContact CB-CG 4.14Å; D268-K271 PolarHBondContact O-N 3.14Å; D268-K271 WeakPolarHBondContact OD2-CD 3.19Å; D268-K271 WeakPolarHBondContact OD2-CE 3.27Å; D268-K271 WeakPolarHBondContact OD2-CG 3.21Å; D268-K271 IonicContact OD2-NZ 3.68Å; D268-A272 WeakPolarHBondContact O-CB 3.31Å; D268-A272 PolarHBondContact O-N 3.44Å
269L93.6Very high93.2Very high35 Ų3544.9 Ų44.918%0.18325%0.247CC..Hα-helixtrans-55.5-37.3-178.4-69.9174.4000112.7L209 E213 F217 L262 A272 I273L209-L269 HydrophobicContact CD1-CD2 4.24Å; L209-L269 HydrophobicContact CD2-CD1 4.03Å; L209-L269 HydrophobicContact CD2-CD2 3.95Å; L209-L269 HydrophobicContact CD2-CG 3.69Å; E213-L269 HydrophobicContact CB-CD1 4.17Å; E213-L269 HydrophobicContact CG-CD1 4.09Å; F217-L269 HydrophobicContact CB-CD2 4.44Å; F217-L269 HydrophobicContact CD2-CD2 4.35Å; L262-L269 HydrophobicContact CD2-CD2 3.93Å; L269-A272 PolarHBondContact O-N 2.86Å; L269-I273 WeakPolarHBondContact O-CG1 3.35Å; L269-I273 PolarHBondContact O-N 3.46Å
270N91.7Very high92.5Very high70 Ų7044.1 Ų44.137%0.37425%0.249SC..Hα-helixtrans-70-41.9-177.2-63.1-59.8000110.9D268 I273 N274D268-N270 PolarHBondContact O-N 3.15Å; D268-N270 PolarHBondContact OD1-N 3.38Å; N270-I273 PolarHBondContact O-N 2.93Å; N270-N274 PolarHBondContact O-N 2.91Å; N270-N274 PolarHBondContact O-ND2 3.26Å; N270-N274 VanDerWaalsContact O-ND2 3.13Å
271K94.1Very high91.9Very high115 Ų11547.9 Ų47.950%0.527%0.266SS..Hα-helixtrans-63.9-43.2173.3-69.3178.7-170.1165.10111A265 D268 I273 N274 L275A265-K271 HydrophobicContact CB-CB 3.93Å; D268-K271 HydrophobicContact CB-CB 4.11Å; D268-K271 HydrophobicContact CB-CD 3.96Å; D268-K271 HydrophobicContact CB-CG 4.14Å; D268-K271 PolarHBondContact O-N 3.14Å; D268-K271 WeakPolarHBondContact OD2-CD 3.19Å; D268-K271 WeakPolarHBondContact OD2-CE 3.27Å; D268-K271 WeakPolarHBondContact OD2-CG 3.21Å; D268-K271 IonicContact OD2-NZ 3.68Å; K271-I273 VanDerWaalsContact C-N 3.33Å; K271-I273 PolarHBondContact O-N 3.25Å; K271-N274 PolarHBondContact O-N 3.15Å; K271-L275 WeakPolarHBondContact O-CG 3.3Å; K271-L275 PolarHBondContact O-N 2.8Å; K271-L275 VanDerWaalsContact O-N 3.09Å
272A94.5Very high91.5Very high0 Ų049.3 Ų49.30%028%0.275CS..Hα-helixtrans-60.7-40.1178.600000112.4F217 I261 L262 A265 D268 L269 L275 L276F217-A272 HydrophobicContact CD2-CB 4.29Å; F217-A272 HydrophobicContact CE1-CB 4.4Å; F217-A272 HydrophobicContact CE2-CB 3.44Å; F217-A272 VanDerWaalsContact CE2-CB 3.44Å; F217-A272 HydrophobicContact CZ-CB 3.52Å; I261-A272 HydrophobicContact CG2-CB 3.93Å; I261-A272 WeakPolarHBondContact CG2-O 3.33Å; L262-A272 HydrophobicContact CD2-CB 3.93Å; A265-A272 HydrophobicContact CB-CB 3.72Å; D268-A272 WeakPolarHBondContact O-CB 3.31Å; D268-A272 PolarHBondContact O-N 3.44Å; L269-A272 PolarHBondContact O-N 2.86Å; A272-L275 PolarHBondContact O-N 3.36Å; A272-L276 PolarHBondContact O-N 3.28Å
273I92Very high91Very high13 Ų1350.2 Ų50.27%0.06728%0.28CS..Hα-helixtrans-64.5-41.9176.5-69.6165.7000111.2F217 L220 L269 N270 K271 L275 L276 F637F217-I273 HydrophobicContact CD2-CG1 4.36Å; F217-I273 HydrophobicContact CE2-CG1 4.04Å; L220-I273 HydrophobicContact CD2-CD1 4.25Å; L220-I273 HydrophobicContact CD2-CG1 3.78Å; L220-I273 HydrophobicContact CD2-CG2 4.48Å; L269-I273 WeakPolarHBondContact O-CG1 3.35Å; L269-I273 PolarHBondContact O-N 3.46Å; N270-I273 PolarHBondContact O-N 2.93Å; K271-I273 VanDerWaalsContact C-N 3.33Å; K271-I273 PolarHBondContact O-N 3.25Å; I273-L275 PolarHBondContact O-N 2.84Å; I273-L276 WeakPolarHBondContact O-CB 3.17Å; I273-L276 PolarHBondContact O-N 3.08Å; I273-L276 VanDerWaalsContact O-N 3.11Å; I273-F637 HydrophobicContact CD1-CD1 4.16Å; I273-F637 HydrophobicContact CD1-CE1 3.57Å; I273-F637 HydrophobicContact CD1-CZ 4.08Å
274N91Very high90.7Very high76 Ų7649 Ų4941%0.40628%0.275SS..Hα-helixtrans-63.2-33.6176.5-69.9-37.9000112.1N270 K271 L276 L277N270-N274 PolarHBondContact O-N 2.91Å; N270-N274 PolarHBondContact O-ND2 3.26Å; N270-N274 VanDerWaalsContact O-ND2 3.13Å; K271-N274 PolarHBondContact O-N 3.15Å; N274-L276 VanDerWaalsContact C-N 3.32Å; N274-L277 CarbonylContact O-C 3.59Å; N274-L277 PolarHBondContact O-N 3.17Å
275L93.4Very high90.5Very high48 Ų4844.7 Ų44.725%0.25125%0.254SS..Hα-helixtrans-71.6-22.2175.1-68.7176000113.5I261 E264 A265 K271 A272 I273 L277 P278 I283I261-L275 HydrophobicContact CG2-CB 3.7Å; I261-L275 HydrophobicContact CG2-CD1 4.06Å; E264-L275 HydrophobicContact CB-CD1 4.43Å; E264-L275 HydrophobicContact CG-CD1 4.2Å; A265-L275 HydrophobicContact CB-CD1 4.16Å; K271-L275 WeakPolarHBondContact O-CG 3.3Å; K271-L275 PolarHBondContact O-N 2.8Å; K271-L275 VanDerWaalsContact O-N 3.09Å; A272-L275 PolarHBondContact O-N 3.36Å; I273-L275 PolarHBondContact O-N 2.84Å; L275-L277 VanDerWaalsContact C-N 3.3Å; L275-P278 WeakPolarHBondContact O-CD 3.15Å; L275-I283 WeakPolarHBondContact O-CD1 2.97Å
276L91.2Very high90.3Very high3 Ų346.3 Ų46.32%0.01626%0.259CS..Hα-helixtrans-73.7-21.8172-73.4172.7000113.1F217 L220 A221 I261 A272 I273 N274 I283F217-L276 HydrophobicContact CD2-CD1 4.39Å; F217-L276 HydrophobicContact CE1-CD1 4.18Å; F217-L276 HydrophobicContact CE2-CD1 3.58Å; F217-L276 HydrophobicContact CE2-CG 4.27Å; F217-L276 HydrophobicContact CZ-CD1 3.46Å; F217-L276 VanDerWaalsContact CZ-CD1 3.46Å; F217-L276 HydrophobicContact CZ-CD2 4.32Å; F217-L276 HydrophobicContact CZ-CG 3.75Å; L220-L276 HydrophobicContact CD2-CD1 4.15Å; L220-L276 HydrophobicContact CG-CD1 4.15Å; A221-L276 HydrophobicContact CB-CD1 4.3Å; A221-L276 HydrophobicContact CB-CD2 3.86Å; I261-L276 HydrophobicContact CD1-CD2 3.57Å; I261-L276 HydrophobicContact CD1-CG 4.23Å; A272-L276 PolarHBondContact O-N 3.28Å; I273-L276 WeakPolarHBondContact O-CB 3.17Å; I273-L276 PolarHBondContact O-N 3.08Å; I273-L276 VanDerWaalsContact O-N 3.11Å; N274-L276 VanDerWaalsContact C-N 3.32Å; L276-I283 PolarHBondContact O-N 3.04Å
277L88Confident90.3Very high12 Ų1240.2 Ų40.26%0.06323%0.226CC..SBendtrans-13256.6-175.6-60.5169.9000113V224 N274 L275 G279 G280 Q281 P282 L622 I626V224-L277 HydrophobicContact CG1-CD2 3.76Å; V224-L277 HydrophobicContact CG2-CD2 4.18Å; N274-L277 CarbonylContact O-C 3.59Å; N274-L277 PolarHBondContact O-N 3.17Å; L275-L277 VanDerWaalsContact C-N 3.3Å; L277-G279 PolarHBondContact O-N 3.27Å; L277-G280 PolarHBondContact O-N 3.06Å; L277-Q281 WeakPolarHBondContact CA-O 2.89Å; L277-P282 HydrophobicContact CD2-CB 4.24Å; L277-L622 HydrophobicContact CD1-CD2 3.54Å; L277-L622 HydrophobicContact CD2-CD2 3.88Å; L277-L622 HydrophobicContact CG-CD2 4.38Å; L277-I626 HydrophobicContact CD1-CD1 4.39Å
278P85.4Confident90.2Very high68 Ų6840.8 Ų40.844%0.44223%0.23SC..G310 helixtrans-58.8126.1178.9-19.532.9000110.7L275 G280 Q281 I283L275-P278 WeakPolarHBondContact O-CD 3.15Å; P278-G280 PolarHBondContact O-N 2.77Å; P278-G280 VanDerWaalsContact O-N 3.14Å; P278-Q281 PolarHBondContact O-N 3.29Å; P278-Q281 VanDerWaalsContact O-N 3.15Å; P278-I283 HydrophobicContact CG-CD1 3.7Å; P278-I283 HydrophobicContact CG-CG1 4.18Å
279G81.8Confident90.1Very high71 Ų7140.6 Ų40.673%0.73223%0.229SC*.G310 helixtrans62.217.5-176.300000114.5L277 Q281L277-G279 PolarHBondContact O-N 3.27Å; G279-Q281 VanDerWaalsContact C-N 3.28Å; G279-Q281 PolarHBondContact O-N 2.86Å
280G81.7Confident89.9Confident20 Ų2039.7 Ų39.721%0.20622%0.224CC..G310 helixtrans78.25.7-176.300000114.7L277 P278L277-G280 PolarHBondContact O-N 3.06Å; P278-G280 PolarHBondContact O-N 2.77Å; P278-G280 VanDerWaalsContact O-N 3.14Å
281Q84.4Confident89.9Confident113 Ų11338.6 Ų38.653%0.52822%0.218SC..PPolyproline II helixtrans-92.5132.2177-66.7-169.8-1700111.2L277 P278 G279 I283L277-Q281 WeakPolarHBondContact CA-O 2.89Å; P278-Q281 PolarHBondContact O-N 3.29Å; P278-Q281 VanDerWaalsContact O-N 3.15Å; G279-Q281 VanDerWaalsContact C-N 3.28Å; G279-Q281 PolarHBondContact O-N 2.86Å; Q281-I283 PolarHBondContact O-N 3.12Å
282P87.8Confident89.8Confident33 Ų3333.3 Ų33.321%0.21420%0.195CC..PPolyproline II helixtrans-69.1126.2176.928.6-33.8000111.6V224 Y227 L277V224-P282 HydrophobicContact CG1-CB 3.73Å; Y227-P282 HydrophobicContact CD1-CB 4.1Å; Y227-P282 HydrophobicContact CD1-CG 3.99Å; Y227-P282 HydrophobicContact CE1-CG 4.24Å; L277-P282 HydrophobicContact CD2-CB 4.24Å
283I86.5Confident89.5Confident19 Ų1935.5 Ų35.510%0.09721%0.21CC..PPolyproline II helixtrans-76.8133.6171.7-53.4177000109.9L275 L276 P278 Q281 Y285L275-I283 WeakPolarHBondContact O-CD1 2.97Å; L276-I283 PolarHBondContact O-N 3.04Å; P278-I283 HydrophobicContact CG-CD1 3.7Å; P278-I283 HydrophobicContact CG-CG1 4.18Å; Q281-I283 PolarHBondContact O-N 3.12Å; I283-Y285 HydrophobicContact CB-CE2 4.32Å; I283-Y285 HydrophobicContact CG2-CD1 4.18Å; I283-Y285 HydrophobicContact CG2-CD2 4.44Å; I283-Y285 HydrophobicContact CG2-CE1 3.59Å; I283-Y285 HydrophobicContact CG2-CE2 3.87Å; I283-Y285 VanDerWaalsContact CG2-CZ 3.4Å
284I89.5Confident89.3Confident16 Ų1638.1 Ų38.18%0.08223%0.233CC..  trans-113.8115176.8-54.7172.4000108.7G228 R229 D232 R286G228-I284 WeakPolarHBondContact O-CD1 3.37Å; R229-I284 HydrophobicContact CG-CD1 4.48Å; R229-I284 HydrophobicContact CG-CG2 3.94Å; D232-I284 HydrophobicContact CB-CD1 3.78Å; I284-R286 HydrophobicContact CG2-CG 3.92Å
285Y91.8Very high89.4Confident9 Ų940.2 Ų40.24%0.03525%0.245CC..  trans-93.4120.4173.1-57.5-69.7000110.5R229 H257 I261 I283 R658R229-Y285 PolarHBondContact NH2-O 2.96Å; H257-Y285 HydrophobicContact CB-CD1 3.96Å; H257-Y285 HydrophobicContact CB-CD2 3.82Å; H257-Y285 HydrophobicContact CB-CE1 3.81Å; H257-Y285 HydrophobicContact CB-CE2 3.68Å; H257-Y285 HydrophobicContact CB-CG 3.95Å; H257-Y285 AromaticContact CD2-CD1 3.11Å; H257-Y285 WeakPolarHBondContact CD2-CD1 3.4Å; H257-Y285 AromaticContact CD2-CE1 3.68Å; H257-Y285 AromaticContact CD2-CG 3.37Å; H257-Y285 AromaticContact CG-CD1 3.49Å; H257-Y285 VanDerWaalsContact CG-CD1 3.49Å; H257-Y285 AromaticContact CG-CE1 3.55Å; H257-Y285 AromaticContact CG-CG 3.84Å; H257-Y285 AromaticContact CG-CZ 3.96Å; H257-Y285 AromaticContact ND1-CE1 3.93Å; H257-Y285 AromaticContact NE2-CD1 3.59Å; I261-Y285 WeakPolarHBondContact CD1-OH 2.97Å; I283-Y285 HydrophobicContact CB-CE2 4.32Å; I283-Y285 HydrophobicContact CG2-CD1 4.18Å; I283-Y285 HydrophobicContact CG2-CD2 4.44Å; I283-Y285 HydrophobicContact CG2-CE1 3.59Å; I283-Y285 HydrophobicContact CG2-CE2 3.87Å; I283-Y285 VanDerWaalsContact CG2-CZ 3.4Å; Y285-R658 HydrophobicContact CE1-CB 4.44Å
286R91.9Very high89.5Confident40 Ų4039.3 Ų39.315%0.15124%0.239CC..  trans-120.1133.4178.1-55.2-166.4-162.5110.96.4110.3D232 S235 I253 I284 E290 D291D232-R286 IonicContact OD1-NH2 3.96Å; D232-R286 IonicContact OD2-CZ 3.64Å; D232-R286 IonicContact OD2-NH2 3.64Å; D232-R286 PolarHBondContact OD2-NH2 2.82Å; S235-R286 PolarHBondContact OG-NE 3.03Å; I253-R286 VanDerWaalsContact CD1-C 3.47Å; I253-R286 VanDerWaalsContact CD1-O 3.23Å; I253-R286 WeakPolarHBondContact CD1-O 3.3Å; I284-R286 HydrophobicContact CG2-CG 3.92Å; R286-E290 HydrophobicContact CB-CB 4.28Å; R286-E290 HydrophobicContact CB-CG 4.47Å; R286-E290 HydrophobicContact CG-CG 4.3Å; R286-D291 HydrophobicContact CB-CB 4.24Å; R286-D291 IonicContact NH1-OD1 3.27Å
287D94.3Very high89.5Confident4 Ų440.7 Ų40.72%0.02125%0.248CC..  trans-91.5176.6168.156.237.6000111R251 I253 L289 E290 D291 F333R251-D287 IonicContact CZ-OD1 3.58Å; R251-D287 IonicContact CZ-OD2 2.69Å; R251-D287 IonicContact NE-OD1 3.05Å; R251-D287 PolarHBondContact NE-OD1 3.44Å; R251-D287 VanDerWaalsContact NE-OD1 3.07Å; R251-D287 IonicContact NE-OD2 3.29Å; R251-D287 PolarHBondContact NE-OD2 3.09Å; R251-D287 IonicContact NH2-OD1 2.75Å; R251-D287 PolarHBondContact NH2-OD1 2.66Å; R251-D287 IonicContact NH2-OD2 3.33Å; R251-D287 PolarHBondContact NH2-OD2 2.99Å; I253-D287 HydrophobicContact CB-CB 4.28Å; I253-D287 HydrophobicContact CD1-CB 3.98Å; I253-D287 HydrophobicContact CG2-CB 4.14Å; D287-L289 PolarHBondContact O-N 3.28Å; D287-L289 WeakPolarHBondContact OD1-CB 3.21Å; D287-L289 PolarHBondContact OD1-N 2.95Å; D287-E290 PolarHBondContact O-N 3.1Å; D287-E290 PolarHBondContact OD1-N 3.49Å; D287-D291 VanDerWaalsContact O-CB 3.32Å; D287-D291 WeakPolarHBondContact O-CB 3.26Å; D287-D291 PolarHBondContact O-N 3.12Å; D287-F333 HydrophobicContact CB-CE2 3.88Å
288Q94.8Very high89.7Confident39 Ų3943.4 Ų43.418%0.18226%0.262CS..Hα-helixtrans-58.5-26.7-174.6-57.1-56.3-43.400113.2W292 E329 L330Q288-W292 PolarHBondContact O-N 3.14Å; Q288-E329 HydrophobicContact CB-CG 4.39Å; Q288-E329 HydrophobicContact CG-CB 4Å; Q288-E329 HydrophobicContact CG-CG 3.84Å; Q288-L330 HydrophobicContact CB-CB 4.09Å
289L92Very high90.2Very high48 Ų4843 Ų4325%0.25126%0.256SS..Hα-helixtrans-69.6-36.9178.5-172.868.7000112.2D287 L330 F333 T337D287-L289 PolarHBondContact O-N 3.28Å; D287-L289 WeakPolarHBondContact OD1-CB 3.21Å; D287-L289 PolarHBondContact OD1-N 2.95Å; L289-L330 HydrophobicContact CD1-CD1 4.16Å; L289-F333 HydrophobicContact CB-CB 3.96Å; L289-F333 HydrophobicContact CB-CD2 4.3Å; L289-F333 HydrophobicContact CB-CG 4.48Å; L289-F333 HydrophobicContact CD1-CB 4.29Å; L289-F333 HydrophobicContact CD2-CB 4.3Å; L289-F333 HydrophobicContact CG-CB 4.41Å; L289-T337 HydrophobicContact CD1-CG2 3.97Å
290E90.1Very high90.9Very high16 Ų1639.7 Ų39.78%0.07522%0.222CC..Hα-helixtrans-87.7-36.9179.2-171.9-175.1171.700112.5R229 K238 R286 D287R229-E290 IonicContact CZ-OE1 4Å; R229-E290 IonicContact CZ-OE2 3.86Å; R229-E290 IonicContact NE-OE1 3.5Å; R229-E290 PolarHBondContact NE-OE1 2.64Å; R229-E290 IonicContact NE-OE2 3.47Å; R229-E290 PolarHBondContact NE-OE2 3.17Å; R229-E290 IonicContact NH2-OE1 3.61Å; R229-E290 PolarHBondContact NH2-OE1 3.08Å; R229-E290 IonicContact NH2-OE2 2.59Å; R229-E290 PolarHBondContact NH2-OE2 2.99Å; K238-E290 PolarHBondContact NZ-O 3.36Å; R286-E290 HydrophobicContact CB-CB 4.28Å; R286-E290 HydrophobicContact CB-CG 4.47Å; R286-E290 HydrophobicContact CG-CG 4.3Å; D287-E290 PolarHBondContact O-N 3.1Å; D287-E290 PolarHBondContact OD1-N 3.49Å
291D90.9Very high91.4Very high47 Ų4739.5 Ų39.525%0.25122%0.216SC..Hα-helixtrans-68-38.4-171.9-166.648.4000112.2K238 R286 D287K238-D291 PolarHBondContact NZ-O 3.12Å; R286-D291 HydrophobicContact CB-CB 4.24Å; R286-D291 IonicContact NH1-OD1 3.27Å; D287-D291 VanDerWaalsContact O-CB 3.32Å; D287-D291 WeakPolarHBondContact O-CB 3.26Å; D287-D291 PolarHBondContact O-N 3.12Å
292W91.9Very high91.8Very high5 Ų540.4 Ų40.42%0.01922%0.22CC..SBendtrans-64141.8-177.1-75.543.8000112.8K238 Q288 E296 F300 L319 K322 I327 L330K238-W292 PolarHBondContact NZ-O 3.04Å; Q288-W292 PolarHBondContact O-N 3.14Å; W292-E296 WeakPolarHBondContact CA-OE2 3.5Å; W292-E296 HydrophobicContact CB-CB 4.46Å; W292-E296 HydrophobicContact CD2-CB 4.36Å; W292-E296 HydrophobicContact CE3-CB 3.64Å; W292-E296 HydrophobicContact CZ3-CB 4.34Å; W292-F300 HydrophobicContact CZ3-CB 3.96Å; W292-F300 HydrophobicContact CZ3-CD2 4.47Å; W292-F300 HydrophobicContact CZ3-CG 4.35Å; W292-L319 HydrophobicContact CH2-CD1 3.75Å; W292-L319 HydrophobicContact CZ3-CD1 3.56Å; W292-L319 HydrophobicContact CZ3-CD2 4.37Å; W292-K322 HydrophobicContact CD2-CD 4.42Å; W292-K322 HydrophobicContact CH2-CD 4.28Å; W292-K322 HydrophobicContact CH2-CG 3.91Å; W292-K322 HydrophobicContact CZ2-CB 4.35Å; W292-K322 HydrophobicContact CZ2-CD 3.75Å; W292-K322 HydrophobicContact CZ2-CG 3.82Å; W292-K322 HydrophobicContact CZ3-CG 4.47Å; W292-I327 HydrophobicContact CH2-CG1 4.04Å; W292-I327 HydrophobicContact CZ2-CG1 4.32Å; W292-L330 HydrophobicContact CD2-CD2 3.56Å; W292-L330 HydrophobicContact CE3-CD2 3.31Å; W292-L330 HydrophobicContact CG-CD2 4.35Å; W292-L330 HydrophobicContact CH2-CD2 3.5Å; W292-L330 VanDerWaalsContact CH2-CD2 3.5Å; W292-L330 HydrophobicContact CZ2-CB 4.15Å; W292-L330 HydrophobicContact CZ2-CD2 3.76Å; W292-L330 HydrophobicContact CZ3-CD2 3.29Å
293S90.1Very high92.2Very high45 Ų4539 Ų3932%0.31521%0.21SC..  trans-72.1158.7175.174.10000111.3N295 E296 T297S293-N295 PolarHBondContact O-N 3.47Å; S293-E296 PolarHBondContact N-OE2 3.42Å; S293-E296 PolarHBondContact O-N 2.68Å; S293-E296 VanDerWaalsContact O-N 3.16Å; S293-E296 VanDerWaalsContact OG-CG 3.23Å; S293-E296 WeakPolarHBondContact OG-CG 3.42Å; S293-E296 PolarHBondContact OG-N 2.93Å; S293-E296 VanDerWaalsContact OG-N 3.17Å; S293-E296 PolarHBondContact OG-OE2 2.95Å; S293-T297 PolarHBondContact O-N 3.44Å; S293-T297 PolarHBondContact O-OG1 3.08Å
294A87.1Confident92.5Very high68 Ų6838.9 Ų38.956%0.56221%0.21SC*.Hα-helixtrans-56.7-37.3176.400000112T297 N298A294-T297 PolarHBondContact O-N 3.36Å; A294-N298 PolarHBondContact O-N 3.1Å; A294-N298 PolarHBondContact O-ND2 3.49Å
295N92.3Very high92.6Very high121 Ų12143 Ų4365%0.64723%0.233SC*.Hα-helixtrans-67.5-43.6177.8-67.98.9000111.8S293 T297 N298 L299S293-N295 PolarHBondContact O-N 3.47Å; N295-T297 VanDerWaalsContact C-N 3.33Å; N295-T297 PolarHBondContact O-N 3.39Å; N295-N298 PolarHBondContact O-N 3.35Å; N295-L299 WeakPolarHBondContact O-CG 3.47Å; N295-L299 PolarHBondContact O-N 2.99Å
296E95.1Very high92.7Very high29 Ų2949.9 Ų49.914%0.13626%0.263CS..Hα-helixtrans-63.6-39.6176.8-69.8172.7140.600111.9W292 S293 N298 L299 F300 L319 W321 K322W292-E296 WeakPolarHBondContact CA-OE2 3.5Å; W292-E296 HydrophobicContact CB-CB 4.46Å; W292-E296 HydrophobicContact CD2-CB 4.36Å; W292-E296 HydrophobicContact CE3-CB 3.64Å; W292-E296 HydrophobicContact CZ3-CB 4.34Å; S293-E296 PolarHBondContact N-OE2 3.42Å; S293-E296 PolarHBondContact O-N 2.68Å; S293-E296 VanDerWaalsContact O-N 3.16Å; S293-E296 VanDerWaalsContact OG-CG 3.23Å; S293-E296 WeakPolarHBondContact OG-CG 3.42Å; S293-E296 PolarHBondContact OG-N 2.93Å; S293-E296 VanDerWaalsContact OG-N 3.17Å; S293-E296 PolarHBondContact OG-OE2 2.95Å; E296-N298 VanDerWaalsContact C-N 3.34Å; E296-L299 PolarHBondContact O-N 2.93Å; E296-F300 WeakPolarHBondContact O-CB 3.48Å; E296-F300 PolarHBondContact O-N 3.41Å; E296-L319 HydrophobicContact CB-CD2 4.49Å; E296-W321 HydrophobicContact CG-CZ2 4.41Å; E296-W321 PolarHBondContact OE1-NE1 2.74Å; E296-K322 WeakPolarHBondContact OE1-CE 3.43Å; E296-K322 IonicContact OE1-NZ 3.46Å; E296-K322 PolarHBondContact OE1-NZ 3.13Å; E296-K322 WeakPolarHBondContact OE2-CE 3.29Å; E296-K322 IonicContact OE2-NZ 2.7Å; E296-K322 PolarHBondContact OE2-NZ 3.2Å
297T91.9Very high92.8Very high32 Ų3250.1 Ų50.120%0.19626%0.264CS..Hα-helixtrans-63.6-39.8175.1-57.10000111.5S293 A294 N295 F300 E301S293-T297 PolarHBondContact O-N 3.44Å; S293-T297 PolarHBondContact O-OG1 3.08Å; A294-T297 PolarHBondContact O-N 3.36Å; N295-T297 VanDerWaalsContact C-N 3.33Å; N295-T297 PolarHBondContact O-N 3.39Å; T297-F300 WeakPolarHBondContact O-CB 3.24Å; T297-F300 PolarHBondContact O-N 3.42Å; T297-E301 WeakPolarHBondContact O-CG 3.27Å; T297-E301 PolarHBondContact O-N 3.08Å; T297-E301 VanDerWaalsContact O-N 3.08Å
298N93Very high92.7Very high68 Ų6853.6 Ų53.636%0.36429%0.288SS..Hα-helixtrans-66.8-45.3175.6-72.7-23.9000112A294 N295 E296 F300 E301 E302 R339A294-N298 PolarHBondContact O-N 3.1Å; A294-N298 PolarHBondContact O-ND2 3.49Å; N295-N298 PolarHBondContact O-N 3.35Å; E296-N298 VanDerWaalsContact C-N 3.34Å; N298-F300 VanDerWaalsContact C-N 3.26Å; N298-F300 PolarHBondContact O-N 2.84Å; N298-E301 PolarHBondContact O-N 3.47Å; N298-E301 VanDerWaalsContact O-N 3.16Å; N298-E302 WeakPolarHBondContact O-CG 3.49Å; N298-E302 PolarHBondContact O-N 3.3Å; N298-R339 PolarHBondContact OD1-NH1 2.92Å; N298-R339 VanDerWaalsContact OD1-NH1 3.15Å
299L95.6Very high92.6Very high61 Ų6158 Ų5832%0.31931%0.307SS..Hα-helixtrans-57.4-40.5173.8-74.4172.8000111.8N295 E296 A303 L319 W321N295-L299 WeakPolarHBondContact O-CG 3.47Å; N295-L299 PolarHBondContact O-N 2.99Å; E296-L299 PolarHBondContact O-N 2.93Å; L299-A303 WeakPolarHBondContact O-CB 3.34Å; L299-A303 PolarHBondContact O-N 3.49Å; L299-L319 HydrophobicContact CB-CD2 4.07Å; L299-L319 HydrophobicContact CD1-CD2 4.23Å; L299-W321 HydrophobicContact CD1-CH2 4.16Å; L299-W321 HydrophobicContact CD1-CZ2 4.23Å
300F95.4Very high92.8Very high0 Ų057.4 Ų57.40%031%0.305CS..Hα-helixtrans-62.2-43.7176.4176.1-109.5000112.4W292 E296 T297 N298 A303 L304 I314 L319 I327 L330 Y331 W334W292-F300 HydrophobicContact CZ3-CB 3.96Å; W292-F300 HydrophobicContact CZ3-CD2 4.47Å; W292-F300 HydrophobicContact CZ3-CG 4.35Å; E296-F300 WeakPolarHBondContact O-CB 3.48Å; E296-F300 PolarHBondContact O-N 3.41Å; T297-F300 WeakPolarHBondContact O-CB 3.24Å; T297-F300 PolarHBondContact O-N 3.42Å; N298-F300 VanDerWaalsContact C-N 3.26Å; N298-F300 PolarHBondContact O-N 2.84Å; F300-A303 PolarHBondContact O-N 3.45Å; F300-L304 HydrophobicContact CD1-CD1 3.93Å; F300-L304 HydrophobicContact CD1-CG 4.42Å; F300-L304 HydrophobicContact CD2-CG 4.47Å; F300-L304 HydrophobicContact CE1-CD1 3.31Å; F300-L304 HydrophobicContact CE1-CG 4Å; F300-L304 HydrophobicContact CE2-CD1 4.21Å; F300-L304 HydrophobicContact CE2-CD2 4.28Å; F300-L304 HydrophobicContact CE2-CG 4.03Å; F300-L304 HydrophobicContact CZ-CD1 3.47Å; F300-L304 VanDerWaalsContact CZ-CD1 3.47Å; F300-L304 HydrophobicContact CZ-CD2 4.07Å; F300-L304 HydrophobicContact CZ-CG 3.78Å; F300-L304 WeakPolarHBondContact O-CB 3.25Å; F300-L304 WeakPolarHBondContact O-CG 3.38Å; F300-L304 PolarHBondContact O-N 3.06Å; F300-I314 HydrophobicContact CD2-CG2 4.4Å; F300-L319 HydrophobicContact CB-CD1 4.03Å; F300-L319 HydrophobicContact CD2-CD1 4.25Å; F300-I327 HydrophobicContact CD2-CG2 4.32Å; F300-I327 HydrophobicContact CE2-CG2 3.81Å; F300-L330 HydrophobicContact CB-CD2 4.31Å; F300-L330 HydrophobicContact CD1-CD2 3.75Å; F300-L330 HydrophobicContact CD1-CG 4.42Å; F300-L330 HydrophobicContact CD2-CD2 4.23Å; F300-L330 HydrophobicContact CE1-CD2 4.06Å; F300-L330 HydrophobicContact CE1-CG 4.28Å; F300-L330 HydrophobicContact CG-CD2 3.83Å; F300-L330 HydrophobicContact CZ-CD2 4.44Å; F300-Y331 HydrophobicContact CZ-CD2 4.17Å; F300-W334 HydrophobicContact CE1-CB 4.28Å; F300-W334 HydrophobicContact CE1-CD2 4.23Å; F300-W334 HydrophobicContact CE1-CE3 4.39Å; F300-W334 HydrophobicContact CE1-CG 4.17Å
301E92.4Very high93.1Very high17 Ų1758.1 Ų58.18%0.07931%0.308CS..Hα-helixtrans-68.5-41.2179.3-71.6-168.9-142.500112.8T297 N298 A303 L304 D305 W334 R339T297-E301 WeakPolarHBondContact O-CG 3.27Å; T297-E301 PolarHBondContact O-N 3.08Å; T297-E301 VanDerWaalsContact O-N 3.08Å; N298-E301 PolarHBondContact O-N 3.47Å; N298-E301 VanDerWaalsContact O-N 3.16Å; E301-A303 VanDerWaalsContact C-N 3.32Å; E301-A303 PolarHBondContact O-N 3.46Å; E301-L304 PolarHBondContact O-N 3.01Å; E301-D305 PolarHBondContact O-N 3.45Å; E301-W334 VanDerWaalsContact CD-NE1 3.25Å; E301-W334 HydrophobicContact CG-CZ2 3.73Å; E301-W334 PolarHBondContact OE1-NE1 3.39Å; E301-R339 VanDerWaalsContact CD-NE 3.33Å; E301-R339 WeakPolarHBondContact OE1-CD 3.41Å; E301-R339 IonicContact OE1-CZ 2.74Å; E301-R339 IonicContact OE1-NE 2.82Å; E301-R339 PolarHBondContact OE1-NE 3.14Å; E301-R339 IonicContact OE1-NH1 2.74Å; E301-R339 PolarHBondContact OE1-NH1 3.42Å; E301-R339 IonicContact OE1-NH2 3.67Å; E301-R339 WeakPolarHBondContact OE2-CD 3.05Å; E301-R339 IonicContact OE2-CZ 3.64Å; E301-R339 IonicContact OE2-NE 2.83Å; E301-R339 PolarHBondContact OE2-NE 2.98Å; E301-R339 IonicContact OE2-NH1 3.38Å; E301-R339 PolarHBondContact OE2-NH1 3.12Å; E301-R339 IonicContact OE2-NH2 3.86Å; E301-R339 PolarHBondContact OE2-NH2 3.01Å
302E93.7Very high93.3Very high132 Ų13258.7 Ų58.762%0.61732%0.319SS*.Hα-helixtrans-61.5-42.5172.5-70.8177-166.500111.4N298 D305 K306N298-E302 WeakPolarHBondContact O-CG 3.49Å; N298-E302 PolarHBondContact O-N 3.3Å; E302-D305 PolarHBondContact O-N 3Å; E302-K306 WeakPolarHBondContact O-CB 3.48Å; E302-K306 PolarHBondContact O-N 2.88Å
303A95.3Very high93.5Very high2 Ų261.2 Ų61.22%0.01733%0.333CS..Hα-helixtrans-65.8-37.5176.900000112.1L299 F300 E301 K306 Y307 I314 C318L299-A303 WeakPolarHBondContact O-CB 3.34Å; L299-A303 PolarHBondContact O-N 3.49Å; F300-A303 PolarHBondContact O-N 3.45Å; E301-A303 VanDerWaalsContact C-N 3.32Å; E301-A303 PolarHBondContact O-N 3.46Å; A303-K306 PolarHBondContact O-N 3.38Å; A303-Y307 HydrophobicContact CB-CD2 4.27Å; A303-Y307 WeakPolarHBondContact O-CB 3.46Å; A303-Y307 WeakPolarHBondContact O-CD2 3.42Å; A303-Y307 PolarHBondContact O-N 3.34Å; A303-I314 HydrophobicContact CB-CB 4.27Å; A303-I314 HydrophobicContact CB-CD1 4.44Å; A303-I314 HydrophobicContact CB-CG1 3.95Å; A303-I314 HydrophobicContact CB-CG2 3.73Å; A303-C318 HydrophobicContact CB-CB 3.78Å
304L93.5Very high93.8Very high17 Ų1759.1 Ų59.19%0.08932%0.318CS..Hα-helixtrans-64.7-38.8173.6-82.9-179.3000112.2F300 E301 K306 S308 F311 I314 Y331 W334F300-L304 HydrophobicContact CD1-CD1 3.93Å; F300-L304 HydrophobicContact CD1-CG 4.42Å; F300-L304 HydrophobicContact CD2-CG 4.47Å; F300-L304 HydrophobicContact CE1-CD1 3.31Å; F300-L304 HydrophobicContact CE1-CG 4Å; F300-L304 HydrophobicContact CE2-CD1 4.21Å; F300-L304 HydrophobicContact CE2-CD2 4.28Å; F300-L304 HydrophobicContact CE2-CG 4.03Å; F300-L304 HydrophobicContact CZ-CD1 3.47Å; F300-L304 VanDerWaalsContact CZ-CD1 3.47Å; F300-L304 HydrophobicContact CZ-CD2 4.07Å; F300-L304 HydrophobicContact CZ-CG 3.78Å; F300-L304 WeakPolarHBondContact O-CB 3.25Å; F300-L304 WeakPolarHBondContact O-CG 3.38Å; F300-L304 PolarHBondContact O-N 3.06Å; E301-L304 PolarHBondContact O-N 3.01Å; L304-K306 VanDerWaalsContact C-N 3.35Å; L304-S308 WeakPolarHBondContact CD2-O 3.4Å; L304-S308 WeakPolarHBondContact O-CA 3.48Å; L304-S308 PolarHBondContact O-N 3Å; L304-F311 HydrophobicContact CD2-CE1 4.31Å; L304-I314 HydrophobicContact CD2-CD1 3.83Å; L304-I314 HydrophobicContact CG-CD1 4.33Å; L304-Y331 HydrophobicContact CD1-CD2 4.27Å; L304-Y331 HydrophobicContact CD2-CD2 4.08Å; L304-Y331 HydrophobicContact CD2-CE2 4.28Å; L304-W334 HydrophobicContact CD1-CD2 4.48Å; L304-W334 HydrophobicContact CD1-CE3 3.91Å; L304-W334 HydrophobicContact CD1-CH2 3.93Å; L304-W334 HydrophobicContact CD1-CZ3 3.58Å
305D90.8Very high94.3Very high104 Ų10457.8 Ų57.856%0.55630%0.302SS*.Hα-helixtrans-71.3-32.6176.8-81.3-25.1000111.6E301 E302 Q343 K347E301-D305 PolarHBondContact O-N 3.45Å; E302-D305 PolarHBondContact O-N 3Å; D305-Q343 PolarHBondContact OD1-NE2 3.46Å; D305-Q343 VanDerWaalsContact OD1-NE2 3.07Å; D305-K347 IonicContact OD1-NZ 3.31Å
306K94.6Very high94.4Very high153 Ų15355.4 Ų55.467%0.66529%0.294SS*.Hα-helixtrans-79.9-48178.9-172.1176.8179.3-167.60114.2E302 A303 L304E302-K306 WeakPolarHBondContact O-CB 3.48Å; E302-K306 PolarHBondContact O-N 2.88Å; A303-K306 PolarHBondContact O-N 3.38Å; L304-K306 VanDerWaalsContact C-N 3.35Å
307Y94.6Very high94.5Very high45 Ų4558.4 Ų58.418%0.17631%0.311CS..Hα-helixtrans-106.83-173.4-54.2-71.9000113.1A303 K309 V310 D313 I314 N317A303-Y307 HydrophobicContact CB-CD2 4.27Å; A303-Y307 WeakPolarHBondContact O-CB 3.46Å; A303-Y307 WeakPolarHBondContact O-CD2 3.42Å; A303-Y307 PolarHBondContact O-N 3.34Å; Y307-K309 PolarHBondContact O-N 2.94Å; Y307-V310 WeakPolarHBondContact O-CG2 3.41Å; Y307-V310 PolarHBondContact O-N 3.07Å; Y307-V310 VanDerWaalsContact O-N 3.17Å; Y307-D313 HydrophobicContact CD1-CB 3.87Å; Y307-D313 HydrophobicContact CE1-CB 4.41Å; Y307-D313 HydrophobicContact CG-CB 4.03Å; Y307-I314 HydrophobicContact CD2-CG1 4.1Å; Y307-I314 HydrophobicContact CG-CG1 4.43Å; Y307-N317 HydrophobicContact CE2-CB 4.19Å
308S91.1Very high94.6Very high77 Ų7758.4 Ų58.454%0.53831%0.312SS..THydrogen-bonded Turntrans56.5-123.2-176.9-164.40000111.7L304L304-S308 WeakPolarHBondContact CD2-O 3.4Å; L304-S308 WeakPolarHBondContact O-CA 3.48Å; L304-S308 PolarHBondContact O-N 3Å
309K93.3Very high94.7Very high131 Ų13155.1 Ų55.157%0.5730%0.295SS*.THydrogen-bonded Turntrans-103.221.1-179.9-53.3-176.2-166.6-175.50113.1Y307 F311 Y331Y307-K309 PolarHBondContact O-N 2.94Å; K309-F311 VanDerWaalsContact C-N 3.29Å; K309-F311 HydrophobicContact CB-CZ 4.41Å; K309-F311 PolarHBondContact O-N 2.69Å; K309-F311 VanDerWaalsContact O-N 3.08Å; K309-Y331 WeakPolarHBondContact CE-OH 3.46Å; K309-Y331 PolarHBondContact NZ-OH 3.05Å
310V95.4Very high94.7Very high36 Ų3656.2 Ų56.222%0.21831%0.305CS..  trans-83.679.7174.9-170.70000108.2Y307 A312 D313 I314 F464Y307-V310 WeakPolarHBondContact O-CG2 3.41Å; Y307-V310 PolarHBondContact O-N 3.07Å; Y307-V310 VanDerWaalsContact O-N 3.17Å; V310-A312 PolarHBondContact O-N 2.95Å; V310-D313 HydrophobicContact CB-CB 4.4Å; V310-D313 HydrophobicContact CG1-CB 4.03Å; V310-D313 WeakPolarHBondContact CG1-OD2 3.49Å; V310-D313 PolarHBondContact O-N 3.03Å; V310-D313 VanDerWaalsContact O-N 3.1Å; V310-I314 PolarHBondContact O-N 3.46Å; V310-F464 HydrophobicContact CG2-CD1 4.36Å; V310-F464 HydrophobicContact CG2-CE1 4.17Å; V310-F464 HydrophobicContact CG2-CZ 4.24Å
311F96.3Very high94.8Very high31 Ų3163.5 Ų63.514%0.13633%0.333CS..Hα-helixtrans-62.7-26.4-173.7-60.4-62.7000113.7L304 K309 D313 I314 L315 I327 V328 Y331L304-F311 HydrophobicContact CD2-CE1 4.31Å; K309-F311 VanDerWaalsContact C-N 3.29Å; K309-F311 HydrophobicContact CB-CZ 4.41Å; K309-F311 PolarHBondContact O-N 2.69Å; K309-F311 VanDerWaalsContact O-N 3.08Å; F311-D313 VanDerWaalsContact C-N 3.35Å; F311-I314 HydrophobicContact CD1-CD1 4.18Å; F311-I314 PolarHBondContact O-N 3.21Å; F311-L315 VanDerWaalsContact O-CB 3.28Å; F311-L315 WeakPolarHBondContact O-CB 3.42Å; F311-L315 PolarHBondContact O-N 2.88Å; F311-I327 HydrophobicContact CB-CG2 4.4Å; F311-I327 HydrophobicContact CD1-CG2 3.73Å; F311-I327 HydrophobicContact CE1-CG2 4.47Å; F311-I327 HydrophobicContact CG-CG2 4.4Å; F311-V328 HydrophobicContact CD2-CG2 3.86Å; F311-V328 HydrophobicContact CE2-CG2 4.23Å; F311-V328 HydrophobicContact CG-CG2 4.13Å; F311-Y331 HydrophobicContact CE1-CD1 4.36Å; F311-Y331 AromaticContact CE1-CD2 3.98Å; F311-Y331 HydrophobicContact CE1-CD2 3.98Å; F311-Y331 AromaticContact CE1-CG 3.81Å; F311-Y331 HydrophobicContact CE1-CG 3.81Å; F311-Y331 AromaticContact CZ-CD1 3.65Å; F311-Y331 HydrophobicContact CZ-CD1 3.65Å; F311-Y331 AromaticContact CZ-CD2 3.95Å; F311-Y331 HydrophobicContact CZ-CD2 3.95Å; F311-Y331 HydrophobicContact CZ-CE1 4.08Å; F311-Y331 HydrophobicContact CZ-CE2 4.37Å; F311-Y331 AromaticContact CZ-CG 3.56Å; F311-Y331 HydrophobicContact CZ-CG 3.56Å
312A96.1Very high95Very high58 Ų5864.2 Ų64.248%0.47934%0.336SS..Hα-helixtrans-60.8-43.3173.500000111.8V310 L315 S316V310-A312 PolarHBondContact O-N 2.95Å; A312-L315 WeakPolarHBondContact O-CB 3.43Å; A312-L315 PolarHBondContact O-N 3.2Å; A312-S316 PolarHBondContact O-N 3.29Å; A312-S316 PolarHBondContact O-OG 3.17Å
313D96.5Very high95.1Very high59 Ų5961.9 Ų61.932%0.31633%0.331SS..Hα-helixtrans-73.4-35.4179-65.4-6.6000111.7Y307 V310 F311 L315 S316 N317Y307-D313 HydrophobicContact CD1-CB 3.87Å; Y307-D313 HydrophobicContact CE1-CB 4.41Å; Y307-D313 HydrophobicContact CG-CB 4.03Å; V310-D313 HydrophobicContact CB-CB 4.4Å; V310-D313 HydrophobicContact CG1-CB 4.03Å; V310-D313 WeakPolarHBondContact CG1-OD2 3.49Å; V310-D313 PolarHBondContact O-N 3.03Å; V310-D313 VanDerWaalsContact O-N 3.1Å; F311-D313 VanDerWaalsContact C-N 3.35Å; D313-L315 VanDerWaalsContact C-N 3.32Å; D313-S316 PolarHBondContact O-OG 2.92Å; D313-N317 WeakPolarHBondContact O-CB 3.41Å; D313-N317 VanDerWaalsContact O-CG 3.29Å; D313-N317 PolarHBondContact O-N 3.2Å; D313-N317 PolarHBondContact O-ND2 3.04Å; D313-N317 VanDerWaalsContact O-ND2 3.11Å
314I96.6Very high95.2Very high0 Ų066.3 Ų66.30%035%0.351CS..Hα-helixtrans-62.4-43.7173.2-64.4176.7000110.1F300 A303 L304 Y307 V310 F311 C318 L319 I327F300-I314 HydrophobicContact CD2-CG2 4.4Å; A303-I314 HydrophobicContact CB-CB 4.27Å; A303-I314 HydrophobicContact CB-CD1 4.44Å; A303-I314 HydrophobicContact CB-CG1 3.95Å; A303-I314 HydrophobicContact CB-CG2 3.73Å; L304-I314 HydrophobicContact CD2-CD1 3.83Å; L304-I314 HydrophobicContact CG-CD1 4.33Å; Y307-I314 HydrophobicContact CD2-CG1 4.1Å; Y307-I314 HydrophobicContact CG-CG1 4.43Å; V310-I314 PolarHBondContact O-N 3.46Å; F311-I314 HydrophobicContact CD1-CD1 4.18Å; F311-I314 PolarHBondContact O-N 3.21Å; I314-C318 WeakPolarHBondContact O-CB 3.35Å; I314-C318 PolarHBondContact O-N 3.47Å; I314-L319 HydrophobicContact CG2-CD1 4.21Å; I314-L319 PolarHBondContact O-N 3.14Å; I314-L319 VanDerWaalsContact O-N 3.11Å; I314-I327 HydrophobicContact CG2-CG2 4.36Å
315L96.1Very high95.3Very high41 Ų4171 Ų7122%0.21537%0.37CS..Hα-helixtrans-62.8-53.5177.8177.363.8000111F311 A312 D313 N317 L319 P320 K322 H324 I327F311-L315 VanDerWaalsContact O-CB 3.28Å; F311-L315 WeakPolarHBondContact O-CB 3.42Å; F311-L315 PolarHBondContact O-N 2.88Å; A312-L315 WeakPolarHBondContact O-CB 3.43Å; A312-L315 PolarHBondContact O-N 3.2Å; D313-L315 VanDerWaalsContact C-N 3.32Å; L315-N317 PolarHBondContact O-N 3.39Å; L315-L319 WeakPolarHBondContact CD1-O 3.46Å; L315-L319 CarbonylContact O-C 3.47Å; L315-P320 VanDerWaalsContact O-CA 3.23Å; L315-P320 WeakPolarHBondContact O-CA 3.33Å; L315-P320 VanDerWaalsContact O-N 3.1Å; L315-K322 WeakPolarHBondContact CD1-O 3.41Å; L315-H324 HydrophobicContact CD2-CB 4.03Å; L315-I327 HydrophobicContact CB-CD1 3.67Å; L315-I327 HydrophobicContact CD1-CD1 3.56Å; L315-I327 HydrophobicContact CG-CD1 4.18Å
316S95.9Very high95.6Very high71 Ų7166.4 Ų66.450%0.49735%0.347SS..Hα-helixtrans-68.3-37-175.167.20000113.1A312 D313A312-S316 PolarHBondContact O-N 3.29Å; A312-S316 PolarHBondContact O-OG 3.17Å; D313-S316 PolarHBondContact O-OG 2.92Å
317N96Very high95.7Very high92 Ų9259.1 Ų59.149%0.49232%0.315SS..Hα-helixtrans-101.3-22.1-167.8-56.7-34.2000114.3Y307 D313 L315Y307-N317 HydrophobicContact CE2-CB 4.19Å; D313-N317 WeakPolarHBondContact O-CB 3.41Å; D313-N317 VanDerWaalsContact O-CG 3.29Å; D313-N317 PolarHBondContact O-N 3.2Å; D313-N317 PolarHBondContact O-ND2 3.04Å; D313-N317 VanDerWaalsContact O-ND2 3.11Å; L315-N317 PolarHBondContact O-N 3.39Å
318C94.7Very high95.8Very high31 Ų3158.7 Ų58.721%0.20932%0.317CS..THydrogen-bonded Turntrans-125.4-35.4-172.6-64.30000113.9A303 I314A303-C318 HydrophobicContact CB-CB 3.78Å; I314-C318 WeakPolarHBondContact O-CB 3.35Å; I314-C318 PolarHBondContact O-N 3.47Å
319L95.4Very high96Very high0 Ų058 Ų580%031%0.305CS..  trans-135.754.7-172.1-65.6165.3000112.6W292 E296 L299 F300 I314 L315 W321 K322 I327W292-L319 HydrophobicContact CH2-CD1 3.75Å; W292-L319 HydrophobicContact CZ3-CD1 3.56Å; W292-L319 HydrophobicContact CZ3-CD2 4.37Å; E296-L319 HydrophobicContact CB-CD2 4.49Å; L299-L319 HydrophobicContact CB-CD2 4.07Å; L299-L319 HydrophobicContact CD1-CD2 4.23Å; F300-L319 HydrophobicContact CB-CD1 4.03Å; F300-L319 HydrophobicContact CD2-CD1 4.25Å; I314-L319 HydrophobicContact CG2-CD1 4.21Å; I314-L319 PolarHBondContact O-N 3.14Å; I314-L319 VanDerWaalsContact O-N 3.11Å; L315-L319 WeakPolarHBondContact CD1-O 3.46Å; L315-L319 CarbonylContact O-C 3.47Å; L319-W321 HydrophobicContact CD2-CH2 4.42Å; L319-W321 HydrophobicContact CD2-CZ2 3.77Å; L319-W321 PolarHBondContact O-N 3.29Å; L319-W321 VanDerWaalsContact O-N 3.13Å; L319-K322 HydrophobicContact CB-CB 4.31Å; L319-K322 HydrophobicContact CB-CG 4.16Å; L319-K322 PolarHBondContact O-N 2.74Å; L319-I327 HydrophobicContact CB-CD1 4.5Å
320P96Very high96.1Very high83 Ų8351.8 Ų51.854%0.53928%0.278SS..THydrogen-bonded Turntrans-66.5-18.1-171.926.8-36000114.4L315L315-P320 VanDerWaalsContact O-CA 3.23Å; L315-P320 WeakPolarHBondContact O-CA 3.33Å; L315-P320 VanDerWaalsContact O-N 3.1Å
321W96.7Very high96.2Very high153 Ų15350.8 Ų50.858%0.5827%0.27SS*.THydrogen-bonded Turntrans-85.2-8.1175.858.587.6000113.8E296 L299 L319E296-W321 HydrophobicContact CG-CZ2 4.41Å; E296-W321 PolarHBondContact OE1-NE1 2.74Å; L299-W321 HydrophobicContact CD1-CH2 4.16Å; L299-W321 HydrophobicContact CD1-CZ2 4.23Å; L319-W321 HydrophobicContact CD2-CH2 4.42Å; L319-W321 HydrophobicContact CD2-CZ2 3.77Å; L319-W321 PolarHBondContact O-N 3.29Å; L319-W321 VanDerWaalsContact O-N 3.13Å
322K96.5Very high96.2Very high32 Ų3255.9 Ų55.914%0.13929%0.29CS..SBendtrans-88.2168.4172.4-65.1-65-173.1-176.80109.9W292 E296 L315 L319 I327W292-K322 HydrophobicContact CD2-CD 4.42Å; W292-K322 HydrophobicContact CH2-CD 4.28Å; W292-K322 HydrophobicContact CH2-CG 3.91Å; W292-K322 HydrophobicContact CZ2-CB 4.35Å; W292-K322 HydrophobicContact CZ2-CD 3.75Å; W292-K322 HydrophobicContact CZ2-CG 3.82Å; W292-K322 HydrophobicContact CZ3-CG 4.47Å; E296-K322 WeakPolarHBondContact OE1-CE 3.43Å; E296-K322 IonicContact OE1-NZ 3.46Å; E296-K322 PolarHBondContact OE1-NZ 3.13Å; E296-K322 WeakPolarHBondContact OE2-CE 3.29Å; E296-K322 IonicContact OE2-NZ 2.7Å; E296-K322 PolarHBondContact OE2-NZ 3.2Å; L315-K322 WeakPolarHBondContact CD1-O 3.41Å; L319-K322 HydrophobicContact CB-CB 4.31Å; L319-K322 HydrophobicContact CB-CG 4.16Å; L319-K322 PolarHBondContact O-N 2.74Å; K322-I327 HydrophobicContact CB-CD1 4.29Å; K322-I327 HydrophobicContact CB-CG1 4.08Å
323T96.3Very high96.1Very high84 Ų8456 Ų5652%0.51528%0.28SS..  trans-101.3150.3172.966.20000110.3K325 S326 I327T323-K325 PolarHBondContact O-N 3.14Å; T323-S326 PolarHBondContact N-OG 3.08Å; T323-S326 PolarHBondContact O-N 3.35Å; T323-S326 PolarHBondContact O-OG 3.12Å; T323-S326 WeakPolarHBondContact OG1-CB 3.29Å; T323-S326 PolarHBondContact OG1-N 3.43Å; T323-S326 VanDerWaalsContact OG1-N 3.15Å; T323-S326 PolarHBondContact OG1-OG 3.26Å; T323-S326 VanDerWaalsContact OG1-OG 3.08Å; T323-I327 WeakPolarHBondContact O-CG1 3.37Å; T323-I327 PolarHBondContact O-N 3.18Å; T323-I327 VanDerWaalsContact O-N 3.09Å
324H96.1Very high95.9Very high95 Ų9553.7 Ų53.744%0.4427%0.267SS..Hα-helixtrans-51.8-43.1175.1-173.8-91.1000111.8L315 S326 I327 V328L315-H324 HydrophobicContact CD2-CB 4.03Å; H324-S326 PolarHBondContact O-N 3.49Å; H324-I327 PolarHBondContact O-N 3.44Å; H324-V328 WeakPolarHBondContact O-CG2 3.36Å; H324-V328 PolarHBondContact O-N 3.19Å; H324-V328 VanDerWaalsContact O-N 3.12Å
325K97Very high95.8Very high115 Ų11557.1 Ų57.150%0.528%0.281SS..Hα-helixtrans-57.1-48175.6-176.5-178.9175.3-177.20112.1T323 I327 V328 E329T323-K325 PolarHBondContact O-N 3.14Å; K325-I327 VanDerWaalsContact C-N 3.34Å; K325-I327 PolarHBondContact O-N 3.45Å; K325-V328 PolarHBondContact O-N 2.78Å; K325-E329 WeakPolarHBondContact O-CB 3.49Å; K325-E329 PolarHBondContact O-N 3.4Å
326S96.5Very high95.5Very high8 Ų860 Ų606%0.05630%0.301CS..Hα-helixtrans-64.9-34.9-179.663.10000113.6T323 H324 L330T323-S326 PolarHBondContact N-OG 3.08Å; T323-S326 PolarHBondContact O-N 3.35Å; T323-S326 PolarHBondContact O-OG 3.12Å; T323-S326 WeakPolarHBondContact OG1-CB 3.29Å; T323-S326 PolarHBondContact OG1-N 3.43Å; T323-S326 VanDerWaalsContact OG1-N 3.15Å; T323-S326 PolarHBondContact OG1-OG 3.26Å; T323-S326 VanDerWaalsContact OG1-OG 3.08Å; H324-S326 PolarHBondContact O-N 3.49Å; S326-L330 WeakPolarHBondContact O-CB 3.17Å; S326-L330 PolarHBondContact O-N 3.47Å
327I96.6Very high95.2Very high0 Ų058.1 Ų58.10%029%0.287CS..Hα-helixtrans-67.4-45.6177.5-65.3172.2000110.2W292 F300 F311 I314 L315 L319 K322 T323 H324 K325 L330 Y331W292-I327 HydrophobicContact CH2-CG1 4.04Å; W292-I327 HydrophobicContact CZ2-CG1 4.32Å; F300-I327 HydrophobicContact CD2-CG2 4.32Å; F300-I327 HydrophobicContact CE2-CG2 3.81Å; F311-I327 HydrophobicContact CB-CG2 4.4Å; F311-I327 HydrophobicContact CD1-CG2 3.73Å; F311-I327 HydrophobicContact CE1-CG2 4.47Å; F311-I327 HydrophobicContact CG-CG2 4.4Å; I314-I327 HydrophobicContact CG2-CG2 4.36Å; L315-I327 HydrophobicContact CB-CD1 3.67Å; L315-I327 HydrophobicContact CD1-CD1 3.56Å; L315-I327 HydrophobicContact CG-CD1 4.18Å; L319-I327 HydrophobicContact CB-CD1 4.5Å; K322-I327 HydrophobicContact CB-CD1 4.29Å; K322-I327 HydrophobicContact CB-CG1 4.08Å; T323-I327 WeakPolarHBondContact O-CG1 3.37Å; T323-I327 PolarHBondContact O-N 3.18Å; T323-I327 VanDerWaalsContact O-N 3.09Å; H324-I327 PolarHBondContact O-N 3.44Å; K325-I327 VanDerWaalsContact C-N 3.34Å; K325-I327 PolarHBondContact O-N 3.45Å; I327-L330 PolarHBondContact O-N 3.41Å; I327-Y331 WeakPolarHBondContact O-CB 3.37Å; I327-Y331 PolarHBondContact O-N 3.3Å
328V96.7Very high94.8Very high36 Ų3658.7 Ų58.722%0.21829%0.29CS..Hα-helixtrans-65-42.5178.1175.90000110.8F311 H324 K325 Y331 Y332F311-V328 HydrophobicContact CD2-CG2 3.86Å; F311-V328 HydrophobicContact CE2-CG2 4.23Å; F311-V328 HydrophobicContact CG-CG2 4.13Å; H324-V328 WeakPolarHBondContact O-CG2 3.36Å; H324-V328 PolarHBondContact O-N 3.19Å; H324-V328 VanDerWaalsContact O-N 3.12Å; K325-V328 PolarHBondContact O-N 2.78Å; V328-Y331 WeakPolarHBondContact O-CB 3.49Å; V328-Y331 PolarHBondContact O-N 3.06Å; V328-Y332 HydrophobicContact CG1-CD2 4.01Å; V328-Y332 HydrophobicContact CG1-CE2 3.73Å; V328-Y332 VanDerWaalsContact O-CD2 3.23Å; V328-Y332 WeakPolarHBondContact O-CD2 3.4Å; V328-Y332 PolarHBondContact O-N 2.89Å
329E96.1Very high94.3Very high62 Ų6263.1 Ų63.129%0.2930%0.302SS..Hα-helixtrans-62.3-47.7176.7-175.8178.5161.800111.6Q288 K325 Y331 Y332 F333Q288-E329 HydrophobicContact CB-CG 4.39Å; Q288-E329 HydrophobicContact CG-CB 4Å; Q288-E329 HydrophobicContact CG-CG 3.84Å; K325-E329 WeakPolarHBondContact O-CB 3.49Å; K325-E329 PolarHBondContact O-N 3.4Å; E329-Y331 VanDerWaalsContact C-N 3.31Å; E329-Y331 PolarHBondContact O-N 2.97Å; E329-Y332 PolarHBondContact O-N 3.49Å; E329-F333 HydrophobicContact CG-CD2 4.09Å; E329-F333 HydrophobicContact CG-CE2 3.55Å; E329-F333 HydrophobicContact CG-CZ 4.21Å; E329-F333 WeakPolarHBondContact O-CD2 3.33Å; E329-F333 PolarHBondContact O-N 3.36Å
330L95.5Very high94.1Very high1 Ų165.1 Ų65.11%0.00531%0.31CS..Hα-helixtrans-56.9-45.1173.1178.470.3000111.3Q288 L289 W292 F300 S326 I327 Y332 F333 W334Q288-L330 HydrophobicContact CB-CB 4.09Å; L289-L330 HydrophobicContact CD1-CD1 4.16Å; W292-L330 HydrophobicContact CD2-CD2 3.56Å; W292-L330 HydrophobicContact CE3-CD2 3.31Å; W292-L330 HydrophobicContact CG-CD2 4.35Å; W292-L330 HydrophobicContact CH2-CD2 3.5Å; W292-L330 VanDerWaalsContact CH2-CD2 3.5Å; W292-L330 HydrophobicContact CZ2-CB 4.15Å; W292-L330 HydrophobicContact CZ2-CD2 3.76Å; W292-L330 HydrophobicContact CZ3-CD2 3.29Å; F300-L330 HydrophobicContact CB-CD2 4.31Å; F300-L330 HydrophobicContact CD1-CD2 3.75Å; F300-L330 HydrophobicContact CD1-CG 4.42Å; F300-L330 HydrophobicContact CD2-CD2 4.23Å; F300-L330 HydrophobicContact CE1-CD2 4.06Å; F300-L330 HydrophobicContact CE1-CG 4.28Å; F300-L330 HydrophobicContact CG-CD2 3.83Å; F300-L330 HydrophobicContact CZ-CD2 4.44Å; S326-L330 WeakPolarHBondContact O-CB 3.17Å; S326-L330 PolarHBondContact O-N 3.47Å; I327-L330 PolarHBondContact O-N 3.41Å; L330-Y332 VanDerWaalsContact C-N 3.3Å; L330-Y332 PolarHBondContact O-N 3.47Å; L330-F333 PolarHBondContact O-N 3.4Å; L330-W334 WeakPolarHBondContact O-CB 3.41Å; L330-W334 PolarHBondContact O-N 2.89Å
331Y95.8Very high93.8Very high14 Ų1463.6 Ų63.66%0.05530%0.299CS..Hα-helixtrans-53.1-46.7-179.1170.7-106000112.3F300 L304 K309 F311 I327 V328 E329 W334 K335F300-Y331 HydrophobicContact CZ-CD2 4.17Å; L304-Y331 HydrophobicContact CD1-CD2 4.27Å; L304-Y331 HydrophobicContact CD2-CD2 4.08Å; L304-Y331 HydrophobicContact CD2-CE2 4.28Å; K309-Y331 WeakPolarHBondContact CE-OH 3.46Å; K309-Y331 PolarHBondContact NZ-OH 3.05Å; F311-Y331 HydrophobicContact CE1-CD1 4.36Å; F311-Y331 AromaticContact CE1-CD2 3.98Å; F311-Y331 HydrophobicContact CE1-CD2 3.98Å; F311-Y331 AromaticContact CE1-CG 3.81Å; F311-Y331 HydrophobicContact CE1-CG 3.81Å; F311-Y331 AromaticContact CZ-CD1 3.65Å; F311-Y331 HydrophobicContact CZ-CD1 3.65Å; F311-Y331 AromaticContact CZ-CD2 3.95Å; F311-Y331 HydrophobicContact CZ-CD2 3.95Å; F311-Y331 HydrophobicContact CZ-CE1 4.08Å; F311-Y331 HydrophobicContact CZ-CE2 4.37Å; F311-Y331 AromaticContact CZ-CG 3.56Å; F311-Y331 HydrophobicContact CZ-CG 3.56Å; I327-Y331 WeakPolarHBondContact O-CB 3.37Å; I327-Y331 PolarHBondContact O-N 3.3Å; V328-Y331 WeakPolarHBondContact O-CB 3.49Å; V328-Y331 PolarHBondContact O-N 3.06Å; E329-Y331 VanDerWaalsContact C-N 3.31Å; E329-Y331 PolarHBondContact O-N 2.97Å; Y331-W334 PolarHBondContact O-N 3.08Å; Y331-K335 HydrophobicContact CD1-CD 4.33Å; Y331-K335 HydrophobicContact CE1-CD 3.74Å; Y331-K335 HydrophobicContact CE2-CD 4.18Å; Y331-K335 HydrophobicContact CE2-CG 4.36Å; Y331-K335 WeakPolarHBondContact O-CG 3.45Å; Y331-K335 PolarHBondContact O-N 3.3Å
332Y96.4Very high93.3Very high138 Ų13862.8 Ų62.854%0.54130%0.296SS..Hα-helixtrans-70.1-36.7-179-76-73.3000112.8V328 E329 L330V328-Y332 HydrophobicContact CG1-CD2 4.01Å; V328-Y332 HydrophobicContact CG1-CE2 3.73Å; V328-Y332 VanDerWaalsContact O-CD2 3.23Å; V328-Y332 WeakPolarHBondContact O-CD2 3.4Å; V328-Y332 PolarHBondContact O-N 2.89Å; E329-Y332 PolarHBondContact O-N 3.49Å; L330-Y332 VanDerWaalsContact C-N 3.3Å; L330-Y332 PolarHBondContact O-N 3.47Å
333F94.2Very high92.8Very high61 Ų6163.6 Ų63.627%0.26830%0.3SS..Hα-helixtrans-70.6-40.6173-65.2-34.2000112.7D287 L289 E329 L330 K335 T336D287-F333 HydrophobicContact CB-CE2 3.88Å; L289-F333 HydrophobicContact CB-CB 3.96Å; L289-F333 HydrophobicContact CB-CD2 4.3Å; L289-F333 HydrophobicContact CB-CG 4.48Å; L289-F333 HydrophobicContact CD1-CB 4.29Å; L289-F333 HydrophobicContact CD2-CB 4.3Å; L289-F333 HydrophobicContact CG-CB 4.41Å; E329-F333 HydrophobicContact CG-CD2 4.09Å; E329-F333 HydrophobicContact CG-CE2 3.55Å; E329-F333 HydrophobicContact CG-CZ 4.21Å; E329-F333 WeakPolarHBondContact O-CD2 3.33Å; E329-F333 PolarHBondContact O-N 3.36Å; L330-F333 PolarHBondContact O-N 3.4Å; F333-K335 PolarHBondContact O-N 3.28Å; F333-T336 PolarHBondContact O-N 3.38Å; F333-T336 PolarHBondContact O-OG1 2.58Å
334W93.3Very high92.4Very high11 Ų1166.5 Ų66.54%0.04230%0.301CS..Hα-helixtrans-60.7-33178.7175.984.3000112F300 E301 L304 L330 Y331 T336 T337 Y340F300-W334 HydrophobicContact CE1-CB 4.28Å; F300-W334 HydrophobicContact CE1-CD2 4.23Å; F300-W334 HydrophobicContact CE1-CE3 4.39Å; F300-W334 HydrophobicContact CE1-CG 4.17Å; E301-W334 VanDerWaalsContact CD-NE1 3.25Å; E301-W334 HydrophobicContact CG-CZ2 3.73Å; E301-W334 PolarHBondContact OE1-NE1 3.39Å; L304-W334 HydrophobicContact CD1-CD2 4.48Å; L304-W334 HydrophobicContact CD1-CE3 3.91Å; L304-W334 HydrophobicContact CD1-CH2 3.93Å; L304-W334 HydrophobicContact CD1-CZ3 3.58Å; L330-W334 WeakPolarHBondContact O-CB 3.41Å; L330-W334 PolarHBondContact O-N 2.89Å; Y331-W334 PolarHBondContact O-N 3.08Å; W334-T336 PolarHBondContact O-N 3.02Å; W334-T336 VanDerWaalsContact O-N 3.1Å; W334-T337 VanDerWaalsContact O-CB 3.3Å; W334-T337 WeakPolarHBondContact O-CB 3.44Å; W334-T337 WeakPolarHBondContact O-CG2 3.48Å; W334-T337 PolarHBondContact O-N 3Å; W334-T337 PolarHBondContact O-OG1 3.45Å; W334-Y340 AromaticContact CE3-CD2 3.93Å; W334-Y340 HydrophobicContact CE3-CD2 3.93Å; W334-Y340 HydrophobicContact CE3-CG 4.42Å; W334-Y340 AromaticContact CH2-CD2 3.61Å; W334-Y340 HydrophobicContact CH2-CD2 3.61Å; W334-Y340 HydrophobicContact CH2-CG 4.41Å; W334-Y340 HydrophobicContact CZ2-CD2 4.47Å; W334-Y340 AromaticContact CZ3-CD2 3.28Å; W334-Y340 HydrophobicContact CZ3-CD2 3.28Å; W334-Y340 AromaticContact CZ3-CE2 3.96Å; W334-Y340 HydrophobicContact CZ3-CE2 3.96Å; W334-Y340 HydrophobicContact CZ3-CG 4.14Å
335K93.3Very high92.1Very high71 Ų7170.4 Ų70.431%0.30931%0.312SS..THydrogen-bonded Turntrans-61.8-14.5173.7-76.7176.171.9-147.80115Y331 F333 Y340Y331-K335 HydrophobicContact CD1-CD 4.33Å; Y331-K335 HydrophobicContact CE1-CD 3.74Å; Y331-K335 HydrophobicContact CE2-CD 4.18Å; Y331-K335 HydrophobicContact CE2-CG 4.36Å; Y331-K335 WeakPolarHBondContact O-CG 3.45Å; Y331-K335 PolarHBondContact O-N 3.3Å; F333-K335 PolarHBondContact O-N 3.28Å; K335-Y340 HydrophobicContact CB-CD1 4.13Å; K335-Y340 HydrophobicContact CB-CE1 4.07Å; K335-Y340 HydrophobicContact CB-CG 4.42Å; K335-Y340 HydrophobicContact CG-CD1 4.41Å; K335-Y340 HydrophobicContact CG-CD2 4.26Å; K335-Y340 HydrophobicContact CG-CE1 4.12Å; K335-Y340 HydrophobicContact CG-CE2 3.95Å; K335-Y340 HydrophobicContact CG-CG 4.44Å; K335-Y340 WeakPolarHBondContact O-CD1 3.23Å
336T91.6Very high91.6Very high101 Ų10169.7 Ų69.762%0.6232%0.318SS*.THydrogen-bonded Turntrans-95-3.4174.573.40000112.4F333 W334F333-T336 PolarHBondContact O-N 3.38Å; F333-T336 PolarHBondContact O-OG1 2.58Å; W334-T336 PolarHBondContact O-N 3.02Å; W334-T336 VanDerWaalsContact O-N 3.1Å
337T89.6Confident91Very high33 Ų3374.6 Ų74.620%0.20234%0.338CS..SBendtrans-75149.7178.5680000111.1L289 W334 R339 Y340 V341L289-T337 HydrophobicContact CD1-CG2 3.97Å; W334-T337 VanDerWaalsContact O-CB 3.3Å; W334-T337 WeakPolarHBondContact O-CB 3.44Å; W334-T337 WeakPolarHBondContact O-CG2 3.48Å; W334-T337 PolarHBondContact O-N 3Å; W334-T337 PolarHBondContact O-OG1 3.45Å; T337-R339 PolarHBondContact O-N 2.78Å; T337-Y340 PolarHBondContact O-N 3Å; T337-Y340 PolarHBondContact OG1-N 3.25Å; T337-V341 PolarHBondContact O-N 3.28Å
338D87Confident90.3Very high104 Ų10478.8 Ų78.856%0.55636%0.36SS*.Hα-helixtrans-57.8-32.5175.5-72.8-36.6000112.5V341 R342D338-V341 PolarHBondContact O-N 3.45Å; D338-R342 WeakPolarHBondContact O-CB 3.41Å; D338-R342 VanDerWaalsContact O-CG 3.29Å; D338-R342 WeakPolarHBondContact O-CG 3.09Å; D338-R342 PolarHBondContact O-N 3.33Å
339R84.4Confident89.7Confident123 Ų12379.2 Ų79.246%0.46437%0.367SS..Hα-helixtrans-60.4-47.8178.4-171.1168.8178.2-168.71.9111N298 E301 T337 R342 Q343N298-R339 PolarHBondContact OD1-NH1 2.92Å; N298-R339 VanDerWaalsContact OD1-NH1 3.15Å; E301-R339 VanDerWaalsContact CD-NE 3.33Å; E301-R339 WeakPolarHBondContact OE1-CD 3.41Å; E301-R339 IonicContact OE1-CZ 2.74Å; E301-R339 IonicContact OE1-NE 2.82Å; E301-R339 PolarHBondContact OE1-NE 3.14Å; E301-R339 IonicContact OE1-NH1 2.74Å; E301-R339 PolarHBondContact OE1-NH1 3.42Å; E301-R339 IonicContact OE1-NH2 3.67Å; E301-R339 WeakPolarHBondContact OE2-CD 3.05Å; E301-R339 IonicContact OE2-CZ 3.64Å; E301-R339 IonicContact OE2-NE 2.83Å; E301-R339 PolarHBondContact OE2-NE 2.98Å; E301-R339 IonicContact OE2-NH1 3.38Å; E301-R339 PolarHBondContact OE2-NH1 3.12Å; E301-R339 IonicContact OE2-NH2 3.86Å; E301-R339 PolarHBondContact OE2-NH2 3.01Å; T337-R339 PolarHBondContact O-N 2.78Å; R339-R342 PolarHBondContact O-N 2.92Å; R339-Q343 PolarHBondContact O-N 2.91Å
340Y89.8Confident88.9Confident43 Ų4379.3 Ų79.317%0.16938%0.378CS..Hα-helixtrans-63.1-44.5174.4173.9-98.8000112.4W334 K335 T337 R342 Q343 R344W334-Y340 AromaticContact CE3-CD2 3.93Å; W334-Y340 HydrophobicContact CE3-CD2 3.93Å; W334-Y340 HydrophobicContact CE3-CG 4.42Å; W334-Y340 AromaticContact CH2-CD2 3.61Å; W334-Y340 HydrophobicContact CH2-CD2 3.61Å; W334-Y340 HydrophobicContact CH2-CG 4.41Å; W334-Y340 HydrophobicContact CZ2-CD2 4.47Å; W334-Y340 AromaticContact CZ3-CD2 3.28Å; W334-Y340 HydrophobicContact CZ3-CD2 3.28Å; W334-Y340 AromaticContact CZ3-CE2 3.96Å; W334-Y340 HydrophobicContact CZ3-CE2 3.96Å; W334-Y340 HydrophobicContact CZ3-CG 4.14Å; K335-Y340 HydrophobicContact CB-CD1 4.13Å; K335-Y340 HydrophobicContact CB-CE1 4.07Å; K335-Y340 HydrophobicContact CB-CG 4.42Å; K335-Y340 HydrophobicContact CG-CD1 4.41Å; K335-Y340 HydrophobicContact CG-CD2 4.26Å; K335-Y340 HydrophobicContact CG-CE1 4.12Å; K335-Y340 HydrophobicContact CG-CE2 3.95Å; K335-Y340 HydrophobicContact CG-CG 4.44Å; K335-Y340 WeakPolarHBondContact O-CD1 3.23Å; T337-Y340 PolarHBondContact O-N 3Å; T337-Y340 PolarHBondContact OG1-N 3.25Å; Y340-R342 VanDerWaalsContact C-N 3.31Å; Y340-R342 PolarHBondContact O-N 2.92Å; Y340-Q343 PolarHBondContact O-N 3.4Å; Y340-R344 WeakPolarHBondContact O-CB 3.41Å; Y340-R344 PolarHBondContact O-N 3.32Å
341V89.5Confident88Confident51 Ų5184.7 Ų84.731%0.30940%0.403SS..Hα-helixtrans-59.9-43.5-179.5175.10000110.9T337 D338 R344 R345T337-V341 PolarHBondContact O-N 3.28Å; D338-V341 PolarHBondContact O-N 3.45Å; V341-R344 PolarHBondContact O-N 3.09Å; V341-R345 WeakPolarHBondContact O-CG 3.43Å; V341-R345 PolarHBondContact O-N 3.46Å
342R87.4Confident87Confident136 Ų13690.8 Ų90.851%0.51343%0.432SS..Hα-helixtrans-61.7-51174.9-70.8174.9-166.2-177.93.6111.4D338 R339 Y340 R344 R345 T346D338-R342 WeakPolarHBondContact O-CB 3.41Å; D338-R342 VanDerWaalsContact O-CG 3.29Å; D338-R342 WeakPolarHBondContact O-CG 3.09Å; D338-R342 PolarHBondContact O-N 3.33Å; R339-R342 PolarHBondContact O-N 2.92Å; Y340-R342 VanDerWaalsContact C-N 3.31Å; Y340-R342 PolarHBondContact O-N 2.92Å; R342-R344 VanDerWaalsContact C-N 3.27Å; R342-R344 PolarHBondContact O-N 2.8Å; R342-R345 PolarHBondContact O-N 3Å; R342-R345 VanDerWaalsContact O-N 3.12Å; R342-T346 PolarHBondContact O-N 2.98Å; R342-T346 PolarHBondContact O-OG1 2.97Å
343Q86Confident85.8Confident48 Ų4892.3 Ų92.322%0.22444%0.444CS..Hα-helixtrans-56.6-42.1179.2-164.5-16721.600111.6D305 R339 Y340 T346 K347D305-Q343 PolarHBondContact OD1-NE2 3.46Å; D305-Q343 VanDerWaalsContact OD1-NE2 3.07Å; R339-Q343 PolarHBondContact O-N 2.91Å; Y340-Q343 PolarHBondContact O-N 3.4Å; Q343-T346 PolarHBondContact O-N 3.28Å; Q343-K347 VanDerWaalsContact NE2-NZ 3.14Å; Q343-K347 WeakPolarHBondContact O-CG 3.39Å; Q343-K347 PolarHBondContact O-N 3.12Å
344R87.4Confident85.1Confident145 Ų14594 Ų9455%0.54745%0.452SS..Hα-helixtrans-65.6-42.6177.2-173.1177.9-179.5-177.40.6112.3Y340 V341 R342 K347 L348Y340-R344 WeakPolarHBondContact O-CB 3.41Å; Y340-R344 PolarHBondContact O-N 3.32Å; V341-R344 PolarHBondContact O-N 3.09Å; R342-R344 VanDerWaalsContact C-N 3.27Å; R342-R344 PolarHBondContact O-N 2.8Å; R344-K347 PolarHBondContact O-N 3.18Å; R344-L348 HydrophobicContact CG-CD1 4.17Å; R344-L348 WeakPolarHBondContact O-CG 3.36Å; R344-L348 PolarHBondContact O-N 3.05Å
345R89.3Confident84.6Confident177 Ų17796.3 Ų96.367%0.66846%0.464SS*.Hα-helixtrans-60.8-44.7175.8-75.3177.5-177.7175.62.1111.2V341 R342 K347 L348 A349V341-R345 WeakPolarHBondContact O-CG 3.43Å; V341-R345 PolarHBondContact O-N 3.46Å; R342-R345 PolarHBondContact O-N 3Å; R342-R345 VanDerWaalsContact O-N 3.12Å; R345-K347 PolarHBondContact O-N 3.44Å; R345-L348 PolarHBondContact O-N 3.2Å; R345-A349 WeakPolarHBondContact O-CB 3.09Å; R345-A349 PolarHBondContact O-N 3.47Å
346T86.2Confident84.4Confident100 Ų10099.6 Ų99.661%0.61348%0.479SS*.Hα-helixtrans-60.9-44.3175.8-53.80000111.7R342 Q343 L348 A349 A350R342-T346 PolarHBondContact O-N 2.98Å; R342-T346 PolarHBondContact O-OG1 2.97Å; Q343-T346 PolarHBondContact O-N 3.28Å; T346-L348 PolarHBondContact O-N 2.88Å; T346-A349 PolarHBondContact O-N 2.91Å; T346-A350 PolarHBondContact O-N 2.77Å
347K84.7Confident84.4Confident112 Ų11299 Ų9949%0.48747%0.469SS..Hα-helixtrans-64.1-37.8176.7-74.5177.5177.9172.60112.5D305 Q343 R344 R345 Q351D305-K347 IonicContact OD1-NZ 3.31Å; Q343-K347 VanDerWaalsContact NE2-NZ 3.14Å; Q343-K347 WeakPolarHBondContact O-CG 3.39Å; Q343-K347 PolarHBondContact O-N 3.12Å; R344-K347 PolarHBondContact O-N 3.18Å; R345-K347 PolarHBondContact O-N 3.44Å; K347-Q351 WeakPolarHBondContact O-CG 3.23Å; K347-Q351 PolarHBondContact O-N 3.22Å
348L83Confident84.5Confident88 Ų8898.3 Ų98.346%0.46147%0.465SS..Hα-helixtrans-69.7-43.5176-74.4170.2000112.3R344 R345 T346 A350 Q351 E352R344-L348 HydrophobicContact CG-CD1 4.17Å; R344-L348 WeakPolarHBondContact O-CG 3.36Å; R344-L348 PolarHBondContact O-N 3.05Å; R345-L348 PolarHBondContact O-N 3.2Å; T346-L348 PolarHBondContact O-N 2.88Å; L348-A350 VanDerWaalsContact C-N 3.28Å; L348-A350 PolarHBondContact O-N 3.36Å; L348-Q351 WeakPolarHBondContact O-CB 3.29Å; L348-Q351 PolarHBondContact O-N 3.18Å; L348-E352 PolarHBondContact O-N 3.09Å
349A82.7Confident84.7Confident45 Ų4599.8 Ų99.837%0.37246%0.463SS..Hα-helixtrans-58-43.3175.100000110.9R345 T346 Q351 E352 H353R345-A349 WeakPolarHBondContact O-CB 3.09Å; R345-A349 PolarHBondContact O-N 3.47Å; T346-A349 PolarHBondContact O-N 2.91Å; A349-Q351 VanDerWaalsContact C-N 3.28Å; A349-Q351 PolarHBondContact O-N 3.31Å; A349-E352 PolarHBondContact O-N 3.4Å; A349-H353 PolarHBondContact O-CD2 2.9Å; A349-H353 PolarHBondContact O-N 3.2Å
350A80.4Confident85Confident63 Ų6394.7 Ų94.752%0.52145%0.445SS..Hα-helixtrans-62.5-31.1174.900000113.6T346 L348T346-A350 PolarHBondContact O-N 2.77Å; L348-A350 VanDerWaalsContact C-N 3.28Å; L348-A350 PolarHBondContact O-N 3.36Å
351Q76.4Confident84.9Confident114 Ų11496.9 Ų96.953%0.53346%0.464SS..Hα-helixtrans-76.5-31174.9-73.9-179.4-8.100112.9K347 L348 A349 H353 K354K347-Q351 WeakPolarHBondContact O-CG 3.23Å; K347-Q351 PolarHBondContact O-N 3.22Å; L348-Q351 WeakPolarHBondContact O-CB 3.29Å; L348-Q351 PolarHBondContact O-N 3.18Å; A349-Q351 VanDerWaalsContact C-N 3.28Å; A349-Q351 PolarHBondContact O-N 3.31Å; Q351-H353 PolarHBondContact O-N 3.46Å; Q351-K354 VanDerWaalsContact O-CB 3.29Å; Q351-K354 WeakPolarHBondContact O-CB 3.36Å; Q351-K354 WeakPolarHBondContact O-CG 3.45Å; Q351-K354 PolarHBondContact O-N 3.17Å; Q351-K354 VanDerWaalsContact O-N 3.09Å
352E74.6Confident84.6Confident142 Ų14299.5 Ų99.566%0.66448%0.477SS*.Hα-helixtrans-66.3-27.5178.5-168.3168.1-166.800112.6L348 A349 K354L348-E352 PolarHBondContact O-N 3.09Å; A349-E352 PolarHBondContact O-N 3.4Å; E352-K354 PolarHBondContact O-N 3.04Å
353H71.6Confident84.3Confident171 Ų17198.7 Ų98.779%0.79248%0.475SS*.THydrogen-bonded Turntrans-72.6-4.4172.6-71.5-70.2000114.6A349 Q351A349-H353 PolarHBondContact O-CD2 2.9Å; A349-H353 PolarHBondContact O-N 3.2Å; Q351-H353 PolarHBondContact O-N 3.46Å
354K78.5Confident83.9Confident97 Ų97103.2 Ų103.242%0.42250%0.5SS..SBendtrans-72.3145.5175.6-66.1-174.4176.4-164.10111.4E30 Q351 E352 K356E30-K354 WeakPolarHBondContact OE1-CE 3.16Å; E30-K354 IonicContact OE1-NZ 3.51Å; E30-K354 PolarHBondContact OE1-NZ 3.09Å; Q351-K354 VanDerWaalsContact O-CB 3.29Å; Q351-K354 WeakPolarHBondContact O-CB 3.36Å; Q351-K354 WeakPolarHBondContact O-CG 3.45Å; Q351-K354 PolarHBondContact O-N 3.17Å; Q351-K354 VanDerWaalsContact O-N 3.09Å; E352-K354 PolarHBondContact O-N 3.04Å; K354-K356 PolarHBondContact O-N 2.58Å
355L83.4Confident83.5Confident59 Ų59103.2 Ų103.231%0.30950%0.504SS..BIsolated β-bridgetrans-65120.7176.2-78.3167.1000110.3L31 K33 V39L31-L355 HydrophobicContact CB-CB 3.82Å; K33-L355 HydrophobicContact CB-CD1 3.66Å; K33-L355 HydrophobicContact CG-CD1 4.37Å; V39-L355 HydrophobicContact CG1-CD1 4.14Å; V39-L355 HydrophobicContact CG2-CD1 4.11Å
356K88.8Confident83Confident140 Ų14099.4 Ų99.461%0.60950%0.503SS*.  trans-91.3-23.2173.8-63.5-179-177.5173.70112.9R8 V9 K354R8-K356 WeakPolarHBondContact CA-O 3.47Å; V9-K356 PolarHBondContact N-O 2.82Å; V9-K356 VanDerWaalsContact N-O 3.08Å; K354-K356 PolarHBondContact O-N 2.58Å
357Q91Very high82.8Confident88 Ų8896.5 Ų96.541%0.41148%0.483SS..EExtended strand (participates in β ladder)trans-148.8156-177.268.6-173.510.300112M6 Y7 R8M6-Q357 HydrophobicContact CG-CB 4.49Å; M6-Q357 PolarHBondContact SD-OE1 3.48Å; Y7-Q357 CarbonylContact O-C 3.57Å; Y7-Q357 WeakPolarHBondContact O-CA 3.44Å; R8-Q357 HydrophobicContact CG-CB 4.15Å
358V92Very high82.8Confident19 Ų1996.2 Ų96.212%0.11549%0.493CS..EExtended strand (participates in β ladder)trans-139.8141.6174.863.50000110.2M6 Y7 L31 V39 I360M6-V358 WeakPolarHBondContact CA-O 3.41Å; Y7-V358 PolarHBondContact N-O 3.26Å; Y7-V358 PolarHBondContact O-N 3.06Å; L31-V358 HydrophobicContact CD1-CB 4.2Å; L31-V358 HydrophobicContact CD1-CG1 3.91Å; L31-V358 HydrophobicContact CD2-CG1 4.01Å; V39-V358 HydrophobicContact CB-CG2 4.11Å; V39-V358 HydrophobicContact CG1-CB 4.33Å; V39-V358 HydrophobicContact CG1-CG2 4.03Å; V39-V358 HydrophobicContact CG2-CG2 4.01Å; V358-I360 HydrophobicContact CG1-CD1 4.24Å; V358-I360 HydrophobicContact CG1-CG1 4.29Å; V358-I360 HydrophobicContact CG2-CG1 4.33Å
359Y91.9Very high82.9Confident135 Ų13592.2 Ų92.253%0.52947%0.473SS..EExtended strand (participates in β ladder)trans-97.6128.1170.3178.1-94.7000109.6N5 P361N5-Y359 HydrophobicContact CB-CD2 3.92Å; N5-Y359 HydrophobicContact CB-CE2 3.43Å; N5-Y359 VanDerWaalsContact CB-CE2 3.43Å; N5-Y359 WeakPolarHBondContact O-CA 3.18Å; Y359-P361 HydrophobicContact CD1-CG 4.39Å; Y359-P361 HydrophobicContact CE1-CB 4.49Å; Y359-P361 HydrophobicContact CE1-CG 4.05Å
360I90.5Very high83.1Confident15 Ų1590.9 Ų90.98%0.07746%0.46CS..  trans-119.3114.4-180-57.9169.1000108.3N5 Y7 A123 I126 V358N5-I360 WeakPolarHBondContact CB-O 3.28Å; N5-I360 PolarHBondContact O-N 3.31Å; Y7-I360 HydrophobicContact CD2-CB 4.22Å; Y7-I360 HydrophobicContact CD2-CD1 3.59Å; Y7-I360 HydrophobicContact CD2-CG1 3.99Å; Y7-I360 HydrophobicContact CE2-CB 3.96Å; Y7-I360 HydrophobicContact CE2-CD1 3.85Å; Y7-I360 HydrophobicContact CE2-CG1 4.21Å; Y7-I360 HydrophobicContact CG-CD1 4.32Å; A123-I360 HydrophobicContact CB-CD1 4.18Å; A123-I360 WeakPolarHBondContact O-CD1 3.5Å; I126-I360 HydrophobicContact CB-CD1 3.77Å; I126-I360 HydrophobicContact CD1-CD1 3.82Å; I126-I360 HydrophobicContact CG1-CD1 4.26Å; I126-I360 HydrophobicContact CG2-CD1 4.4Å; V358-I360 HydrophobicContact CG1-CD1 4.24Å; V358-I360 HydrophobicContact CG1-CG1 4.29Å; V358-I360 HydrophobicContact CG2-CG1 4.33Å
361P87.2Confident83.3Confident89 Ų8991.7 Ų91.758%0.57846%0.455SS*.  trans-59.6153176.2-22.332.4000112.6Y359 Y363Y359-P361 HydrophobicContact CD1-CG 4.39Å; Y359-P361 HydrophobicContact CE1-CB 4.49Å; Y359-P361 HydrophobicContact CE1-CG 4.05Å; P361-Y363 PolarHBondContact O-N 3.34Å
362N83.2Confident83.3Confident107 Ų10794.4 Ų94.457%0.57246%0.461SS*.  trans-57.6134.9175.2-71.3-13.6000111N5 N364N5-N362 PolarHBondContact ND2-OD1 3.41Å; N5-N362 PolarHBondContact OD1-OD1 3.24Å; N362-N364 PolarHBondContact O-N 3.48Å
363Y80.6Confident82.5Confident118 Ų11894.7 Ų94.746%0.46346%0.463SS..  trans-80.2107177.1-174.3-92.9000110.6P361 K365P361-Y363 PolarHBondContact O-N 3.34Å; Y363-K365 HydrophobicContact CD1-CB 4.26Å; Y363-K365 HydrophobicContact CE1-CB 3.58Å; Y363-K365 HydrophobicContact CE1-CG 4.28Å; Y363-K365 HydrophobicContact CE2-CB 4.32Å; Y363-K365 HydrophobicContact CE2-CD 4Å; Y363-K365 HydrophobicContact CE2-CG 4.14Å
364N77.6Confident81.4Confident143 Ų14393.2 Ų93.277%0.76546%0.461SS*.  trans-101.28.7-175.9-65.8-12.9000114N362N362-N364 PolarHBondContact O-N 3.48Å
365K79.8Confident80Confident145 Ų14594.9 Ų94.963%0.6348%0.479SS*.SBendtrans-71.5140178.5-60-173.8177.5179.40110Y363 N367Y363-K365 HydrophobicContact CD1-CB 4.26Å; Y363-K365 HydrophobicContact CE1-CB 3.58Å; Y363-K365 HydrophobicContact CE1-CG 4.28Å; Y363-K365 HydrophobicContact CE2-CB 4.32Å; Y363-K365 HydrophobicContact CE2-CD 4Å; Y363-K365 HydrophobicContact CE2-CG 4.14Å; K365-N367 PolarHBondContact O-N 2.9Å
366P78.8Confident78.2Confident98 Ų9898 Ų9864%0.63650%0.496SS*.PPolyproline II helixtrans-54130177.7-22.531.2000111P368P366-P368 WeakPolarHBondContact O-CD 3.49Å
367N83Confident76.6Confident38 Ų38101.3 Ų101.320%0.20351%0.51CS..PPolyproline II helixtrans-74.5120.6175.4175.6-0.2000108.6K365 A369 V370 W411K365-N367 PolarHBondContact O-N 2.9Å; N367-A369 PolarHBondContact O-N 3.48Å; N367-A369 WeakPolarHBondContact OD1-CB 3.44Å; N367-A369 PolarHBondContact OD1-N 3.04Å; N367-V370 HydrophobicContact CB-CG2 3.98Å; N367-V370 WeakPolarHBondContact O-CB 3.2Å; N367-V370 WeakPolarHBondContact O-CG2 3.05Å; N367-V370 PolarHBondContact O-N 2.77Å; N367-W411 VanDerWaalsContact ND2-CZ2 3.35Å; N367-W411 WeakPolarHBondContact ND2-CZ2 3.45Å
368P84.4Confident74.8Confident106 Ų10699.7 Ų99.769%0.68851%0.506SS*.THydrogen-bonded Turntrans-62.8-15.3-177.826.9-36.8000113.9A19 P366 V370A19-P368 HydrophobicContact CB-CG 3.64Å; P366-P368 WeakPolarHBondContact O-CD 3.49Å; P368-V370 VanDerWaalsContact C-N 3.3Å
369A84.6Confident73.2Confident5 Ų5104.3 Ų104.34%0.04153%0.53CS..THydrogen-bonded Turntrans-79.6-8.6175.200000113.6N367 L371 Y395 A396 W411N367-A369 PolarHBondContact O-N 3.48Å; N367-A369 WeakPolarHBondContact OD1-CB 3.44Å; N367-A369 PolarHBondContact OD1-N 3.04Å; A369-L371 PolarHBondContact O-N 2.95Å; A369-Y395 HydrophobicContact CB-CD1 4.4Å; A369-Y395 CarbonylContact O-C 3.55Å; A369-Y395 VanDerWaalsContact O-CA 3.26Å; A369-Y395 WeakPolarHBondContact O-CA 3.21Å; A369-A396 PolarHBondContact O-N 2.89Å; A369-W411 HydrophobicContact CB-CH2 3.42Å; A369-W411 VanDerWaalsContact CB-CH2 3.42Å; A369-W411 HydrophobicContact CB-CZ2 3.88Å; A369-W411 HydrophobicContact CB-CZ3 4.1Å
370V86.5Confident71.8Confident16 Ų16102.5 Ų102.510%0.09754%0.537CS..EExtended strand (participates in β ladder)trans-68.6128.3179.5169.80000110.4N367 P368 Y372 Q393 Y395N367-V370 HydrophobicContact CB-CG2 3.98Å; N367-V370 WeakPolarHBondContact O-CB 3.2Å; N367-V370 WeakPolarHBondContact O-CG2 3.05Å; N367-V370 PolarHBondContact O-N 2.77Å; P368-V370 VanDerWaalsContact C-N 3.3Å; V370-Y372 HydrophobicContact CB-CE2 4.23Å; V370-Y372 HydrophobicContact CG1-CD1 4.34Å; V370-Y372 HydrophobicContact CG1-CD2 4.12Å; V370-Y372 HydrophobicContact CG1-CE1 4.04Å; V370-Y372 HydrophobicContact CG1-CE2 3.79Å; V370-Y372 HydrophobicContact CG1-CG 4.39Å; V370-Q393 HydrophobicContact CG1-CG 4.05Å; V370-Q393 HydrophobicContact CG2-CG 4.47Å; V370-Y395 HydrophobicContact CG2-CD1 3.96Å; V370-Y395 HydrophobicContact CG2-CE1 3.49Å; V370-Y395 VanDerWaalsContact CG2-CE1 3.49Å
371L84Confident71.3Confident80 Ų80107.4 Ų107.442%0.41955%0.554SS.*EExtended strand (participates in β ladder)trans-92.1111.7171.7-62.9174.7000109.3A369 W394 A396 R405A369-L371 PolarHBondContact O-N 2.95Å; L371-W394 HydrophobicContact CB-CB 4.08Å; L371-W394 HydrophobicContact CD1-CB 4.24Å; L371-W394 PolarHBondContact N-O 3.15Å; L371-A396 HydrophobicContact CD1-CB 4.43Å; L371-A396 HydrophobicContact CD2-CB 4.05Å; L371-A396 HydrophobicContact CG-CB 4.23Å; L371-R405 HydrophobicContact CD1-CB 4.13Å
372Y76.3Confident71.3Confident171 Ų171106 Ų10667%0.67155%0.545SS*.  trans-82.7129.6174.4-66.2-83000110.2V370 N374V370-Y372 HydrophobicContact CB-CE2 4.23Å; V370-Y372 HydrophobicContact CG1-CD1 4.34Å; V370-Y372 HydrophobicContact CG1-CD2 4.12Å; V370-Y372 HydrophobicContact CG1-CE1 4.04Å; V370-Y372 HydrophobicContact CG1-CE2 3.79Å; V370-Y372 HydrophobicContact CG1-CG 4.39Å; Y372-N374 PolarHBondContact O-N 2.99Å; Y372-N374 VanDerWaalsContact O-N 3.14Å
373H58.6Low71.7Confident149 Ų149101 Ų10169%0.6952%0.519SS*.SBendtrans-69.4104.7-178.8-168.8-39.5000109.5
374N48.3Very low72.2Confident140 Ų14098.3 Ų98.375%0.74951%0.51SS*.SBendtrans-1788.5146.1-99.5-4.6000120.8Y372Y372-N374 PolarHBondContact O-N 2.99Å; Y372-N374 VanDerWaalsContact O-N 3.14Å
375T49.5Very low72.7Confident131 Ų13191.8 Ų91.880%0.80448%0.477SS*.SBendtrans-139.41.2-174.352.90000119.7
376D46.6Very low73.2Confident124 Ų12488.4 Ų88.466%0.66347%0.47SS*.  trans-133.6142.6-173.9-92.1-44.7000115.6T378D376-T378 PolarHBondContact O-N 3.29Å
377K53.2Low73.7Confident210 Ų21085.9 Ų85.991%0.91346%0.463SS*.THydrogen-bonded Turntrans-65.126.4-176.6-61.8175.5178.6176.70114.7
378T54.6Low73.9Confident54 Ų5486.2 Ų86.233%0.33147%0.468SS..THydrogen-bonded Turntrans-108.17.9-170.554.90000113.9D376 S380 R381D376-T378 PolarHBondContact O-N 3.29Å; T378-S380 PolarHBondContact O-N 3.21Å; T378-R381 PolarHBondContact O-N 2.98Å
379I57.2Low74Confident117 Ų11786.1 Ų86.160%0.646%0.461SS*.THydrogen-bonded Turntrans-56.2-20.9180-66.4172.7000112.8R405I379-R405 PolarHBondContact O-NH2 3.28Å
380S63.3Low74.1Confident97 Ų9792.4 Ų92.468%0.67849%0.494SS*.THydrogen-bonded Turntrans-83.5-9-17567.50000117T378T378-S380 PolarHBondContact O-N 3.21Å
381R79.1Confident74.3Confident117 Ų11793.2 Ų93.244%0.44250%0.5SS..PPolyproline II helixtrans-87.2124-174.7-74.3-169.8176.1-162.71112.9T378 A402 R405T378-R381 PolarHBondContact O-N 2.98Å; R381-A402 PolarHBondContact NH1-O 3.38Å; R381-A402 VanDerWaalsContact NH1-O 3.1Å; R381-R405 PolarHBondContact O-NE 3.49Å; R381-R405 PolarHBondContact O-NH2 3.48Å
382P88.6Confident74.5Confident61 Ų6194.8 Ų94.840%0.39652%0.518SS..PPolyproline II helixtrans-65.7164.217628.2-34.2000112.1E384 G387 L389P382-E384 PolarHBondContact O-N 3.19Å; P382-G387 WeakPolarHBondContact CB-O 3.44Å; P382-L389 HydrophobicContact CB-CD2 4.01Å
383C91.5Very high75.1Confident2 Ų290 Ų901%0.01450%0.502CS..PPolyproline II helixtrans-56.4126169.3176.80000110G385 C386 G387 S388 W394 C407 C410C383-G385 PolarHBondContact O-N 3.4Å; C383-G385 VanDerWaalsContact O-N 3.15Å; C383-G385 PolarHBondContact SG-N 3.3Å; C383-C386 VanDerWaalsContact SG-SG 3.6Å; C383-G387 VanDerWaalsContact O-CA 3.29Å; C383-G387 WeakPolarHBondContact O-CA 3.27Å; C383-G387 PolarHBondContact O-N 3.21Å; C383-S388 WeakPolarHBondContact CB-O 3.33Å; C383-S388 PolarHBondContact N-O 3.35Å; C383-W394 HydrophobicContact CB-CH2 4.41Å; C383-W394 HydrophobicContact CB-CZ3 4.03Å; C383-C407 HydrophobicContact CB-CB 4.2Å; C383-C407 PolarHBondContact SG-N 3.43Å; C383-C407 VanDerWaalsContact SG-SG 3.61Å; C383-C410 VanDerWaalsContact SG-SG 3.61Å
384E89.8Confident76.7Confident60 Ų6084.6 Ų84.628%0.2848%0.475SS..THydrogen-bonded Turntrans-63.7-21.6-179.5-64.2-78.2-173.400112.9P382 S404 R405 L406 S425P382-E384 PolarHBondContact O-N 3.19Å; E384-S404 PolarHBondContact OE1-OG 3.44Å; E384-R405 PolarHBondContact N-O 2.89Å; E384-R405 VanDerWaalsContact N-O 3.09Å; E384-L406 HydrophobicContact CB-CD2 3.97Å; E384-S425 WeakPolarHBondContact O-CB 3.45Å
385G88.3Confident78.7Confident6 Ų679.2 Ų79.26%0.06245%0.445CS..THydrogen-bonded Turntrans-89.8-38.9-178.600000115.2C383 S422C383-G385 PolarHBondContact O-N 3.4Å; C383-G385 VanDerWaalsContact O-N 3.15Å; C383-G385 PolarHBondContact SG-N 3.3Å; G385-S422 WeakPolarHBondContact O-CB 3.5Å
386C91.4Very high80.6Confident74 Ų7475 Ų7550%0.542%0.424SS..THydrogen-bonded Turntrans-127.9-2.8-174.268.60000114.9C383 S388 C407C383-C386 VanDerWaalsContact SG-SG 3.6Å; C386-S388 PolarHBondContact O-N 2.96Å; C386-S388 VanDerWaalsContact SG-CB 3.56Å; C386-C407 VanDerWaalsContact SG-SG 3.63Å
387G88.4Confident82.6Confident46 Ų4671 Ų7147%0.47440%0.399SS..  trans75.3-4.5-17800000115.3P382 C383P382-G387 WeakPolarHBondContact CB-O 3.44Å; C383-G387 VanDerWaalsContact O-CA 3.29Å; C383-G387 WeakPolarHBondContact O-CA 3.27Å; C383-G387 PolarHBondContact O-N 3.21Å
388S88.5Confident83.9Confident45 Ų4563.3 Ų63.332%0.31538%0.379SS..  trans-62.1140.6-178.5-176.70000112C383 C386 N390 W394C383-S388 WeakPolarHBondContact CB-O 3.33Å; C383-S388 PolarHBondContact N-O 3.35Å; C386-S388 PolarHBondContact O-N 2.96Å; C386-S388 VanDerWaalsContact SG-CB 3.56Å; S388-N390 PolarHBondContact OG-N 3.05Å; S388-N390 VanDerWaalsContact OG-N 3.13Å; S388-N390 PolarHBondContact OG-O 3.48Å; S388-W394 WeakPolarHBondContact O-CH2 3.36Å
389L86.4Confident85Confident104 Ų10464.1 Ų64.155%0.54539%0.385SS..SBendtrans-94.7-9.2171.4-68.5168.9000113P382 W394P382-L389 HydrophobicContact CB-CD2 4.01Å; L389-W394 WeakPolarHBondContact O-CZ2 3.43Å
390N87.2Confident85.6Confident136 Ų13664.2 Ų64.273%0.72740%0.396SS*.  trans-118.2130.2-176.8-67.2-14.8000110.1S388S388-N390 PolarHBondContact OG-N 3.05Å; S388-N390 VanDerWaalsContact OG-N 3.13Å; S388-N390 PolarHBondContact OG-O 3.48Å
391S88.7Confident85.9Confident34 Ų3466 Ų6624%0.23840%0.398CS..  trans-155150.5171.1-163.40000110.2Q393 C407 T408S391-Q393 PolarHBondContact O-N 3.35Å; S391-Q393 PolarHBondContact OG-O 2.93Å; S391-Q393 VanDerWaalsContact OG-O 3.13Å; S391-C407 WeakPolarHBondContact OG-CA 3.44Å; S391-C407 WeakPolarHBondContact OG-CB 3.5Å; S391-T408 PolarHBondContact OG-N 3.48Å; S391-T408 PolarHBondContact OG-OG1 3.49Å
392S89.4Confident85.6Confident113 Ų11362 Ų6279%0.7939%0.391SS*.SBendtrans-63.1-32173.752.70000112.4T408S392-T408 PolarHBondContact OG-OG1 2.83Å; S392-T408 VanDerWaalsContact OG-OG1 3.1Å
393Q89.6Confident85Confident70 Ų7064 Ų6433%0.32740%0.398SS..SBendtrans-150.8142.8-179.7-167.9156.735.100110.2V370 S391 Y395 T408V370-Q393 HydrophobicContact CG1-CG 4.05Å; V370-Q393 HydrophobicContact CG2-CG 4.47Å; S391-Q393 PolarHBondContact O-N 3.35Å; S391-Q393 PolarHBondContact OG-O 2.93Å; S391-Q393 VanDerWaalsContact OG-O 3.13Å; Q393-Y395 HydrophobicContact CB-CE2 4.12Å; Q393-Y395 HydrophobicContact CG-CE2 4.01Å; Q393-Y395 PolarHBondContact OE1-OH 3.08Å; Q393-T408 PolarHBondContact N-OG1 2.9Å; Q393-T408 PolarHBondContact O-N 3.34Å; Q393-T408 PolarHBondContact O-OG1 3.39Å
394W90.7Very high84.8Confident36 Ų3664.8 Ų64.814%0.13640%0.403CS..EExtended strand (participates in β ladder)trans-109.4140.8179.6-68.496.6000110.5L371 C383 S388 L389 R405 C407L371-W394 HydrophobicContact CB-CB 4.08Å; L371-W394 HydrophobicContact CD1-CB 4.24Å; L371-W394 PolarHBondContact N-O 3.15Å; C383-W394 HydrophobicContact CB-CH2 4.41Å; C383-W394 HydrophobicContact CB-CZ3 4.03Å; S388-W394 WeakPolarHBondContact O-CH2 3.36Å; L389-W394 WeakPolarHBondContact O-CZ2 3.43Å; W394-R405 HydrophobicContact CE3-CB 4.23Å; W394-R405 HydrophobicContact CE3-CG 3.72Å; W394-R405 HydrophobicContact CZ3-CG 3.93Å; W394-C407 HydrophobicContact CZ3-CB 4.41Å
395Y90.9Very high84.8Confident26 Ų2663.1 Ų63.110%0.10239%0.394CS..EExtended strand (participates in β ladder)trans-121.5131.7178.5-62.8-93.6000110.6A369 V370 Q393 R405 L406 W411A369-Y395 HydrophobicContact CB-CD1 4.4Å; A369-Y395 CarbonylContact O-C 3.55Å; A369-Y395 VanDerWaalsContact O-CA 3.26Å; A369-Y395 WeakPolarHBondContact O-CA 3.21Å; V370-Y395 HydrophobicContact CG2-CD1 3.96Å; V370-Y395 HydrophobicContact CG2-CE1 3.49Å; V370-Y395 VanDerWaalsContact CG2-CE1 3.49Å; Q393-Y395 HydrophobicContact CB-CE2 4.12Å; Q393-Y395 HydrophobicContact CG-CE2 4.01Å; Q393-Y395 PolarHBondContact OE1-OH 3.08Å; Y395-R405 CarbonylContact O-C 3.5Å; Y395-R405 VanDerWaalsContact O-CA 3.23Å; Y395-R405 WeakPolarHBondContact O-CA 3.22Å; Y395-L406 PolarHBondContact N-O 2.72Å; Y395-L406 PolarHBondContact O-N 3.05Å; Y395-W411 VanDerWaalsContact CB-CD2 3.46Å; Y395-W411 AromaticContact CD1-CD1 3.81Å; Y395-W411 AromaticContact CD1-CD2 3.6Å; Y395-W411 HydrophobicContact CD1-CD2 3.6Å; Y395-W411 AromaticContact CD1-CE2 3.49Å; Y395-W411 VanDerWaalsContact CD1-CE2 3.49Å; Y395-W411 HydrophobicContact CD1-CE3 4.19Å; Y395-W411 AromaticContact CD1-CG 3.82Å; Y395-W411 HydrophobicContact CD1-CG 3.82Å; Y395-W411 HydrophobicContact CD1-CZ2 4.01Å; Y395-W411 AromaticContact CD1-NE1 3.61Å; Y395-W411 HydrophobicContact CD2-CB 3.56Å; Y395-W411 AromaticContact CD2-CD1 3.87Å; Y395-W411 HydrophobicContact CD2-CD2 4.02Å; Y395-W411 AromaticContact CD2-CG 3.51Å; Y395-W411 HydrophobicContact CD2-CG 3.51Å; Y395-W411 AromaticContact CE1-CD1 3.76Å; Y395-W411 HydrophobicContact CE1-CD2 4.32Å; Y395-W411 AromaticContact CE1-CE2 3.98Å; Y395-W411 HydrophobicContact CE1-CG 4.2Å; Y395-W411 AromaticContact CE1-NE1 3.61Å; Y395-W411 HydrophobicContact CE2-CB 4.1Å; Y395-W411 AromaticContact CE2-CD1 3.86Å; Y395-W411 AromaticContact CE2-CG 3.96Å; Y395-W411 HydrophobicContact CE2-CG 3.96Å; Y395-W411 HydrophobicContact CG-CB 3.91Å; Y395-W411 AromaticContact CG-CD1 3.85Å; Y395-W411 AromaticContact CG-CD2 3.41Å; Y395-W411 HydrophobicContact CG-CD2 3.41Å; Y395-W411 VanDerWaalsContact CG-CD2 3.41Å; Y395-W411 AromaticContact CG-CE2 3.85Å; Y395-W411 AromaticContact CG-CE3 3.8Å; Y395-W411 HydrophobicContact CG-CE3 3.8Å; Y395-W411 AromaticContact CG-CG 3.44Å; Y395-W411 HydrophobicContact CG-CG 3.44Å; Y395-W411 VanDerWaalsContact CG-CG 3.44Å; Y395-W411 HydrophobicContact CG-CZ3 4.48Å; Y395-W411 AromaticContact CZ-CD1 3.79Å
396A90.2Very high85Confident44 Ų4462.8 Ų62.836%0.36439%0.391SS..EExtended strand (participates in β ladder)trans-65.7131.1170.300000109.7A369 L371 W411A369-A396 PolarHBondContact O-N 2.89Å; L371-A396 HydrophobicContact CD1-CB 4.43Å; L371-A396 HydrophobicContact CD2-CB 4.05Å; L371-A396 HydrophobicContact CG-CB 4.23Å; A396-W411 WeakPolarHBondContact O-CZ3 3.39Å
397W87.6Confident85.1Confident40 Ų4059.4 Ų59.415%0.15237%0.369CS..EExtended strand (participates in β ladder)trans-134.7137-178-179.381.3000110.7S404 L406 W414 L420W397-S404 PolarHBondContact N-O 3.22Å; W397-S404 WeakPolarHBondContact O-CB 3.29Å; W397-S404 VanDerWaalsContact O-O 3.11Å; W397-L406 HydrophobicContact CB-CD1 3.92Å; W397-L406 HydrophobicContact CB-CG 3.79Å; W397-L406 VanDerWaalsContact CD1-CD1 3.49Å; W397-L406 HydrophobicContact CD2-CD1 4.19Å; W397-L406 HydrophobicContact CD2-CG 4.41Å; W397-L406 HydrophobicContact CG-CD1 3.6Å; W397-L406 HydrophobicContact CG-CG 3.9Å; W397-W414 AromaticContact CD1-CD2 3.79Å; W397-W414 AromaticContact CD1-CE2 3.64Å; W397-W414 AromaticContact CD1-CZ2 3.84Å; W397-W414 AromaticContact NE1-CD1 3.47Å; W397-W414 AromaticContact NE1-CD2 3.6Å; W397-W414 AromaticContact NE1-CE2 3.15Å; W397-W414 AromaticContact NE1-CG 3.79Å; W397-W414 AromaticContact NE1-CZ2 3.61Å; W397-W414 AromaticContact NE1-NE1 3.08Å; W397-L420 HydrophobicContact CH2-CD1 4Å; W397-L420 HydrophobicContact CZ2-CD1 4.13Å; W397-L420 HydrophobicContact CZ2-CG 4.49Å; W397-L420 HydrophobicContact CZ3-CD1 4.47Å
398G80.2Confident85.4Confident47 Ų4758.7 Ų58.749%0.48536%0.355SS..SBendtrans85.3-176-176.700000114.1
399P77.4Confident85.6Confident72 Ų7262.5 Ų62.547%0.46837%0.372SS..  trans-63.4146.9177.825.1-31.9000111.1N401 A402P399-N401 VanDerWaalsContact CB-OD1 3.31Å; P399-N401 WeakPolarHBondContact CB-OD1 3.36Å; P399-N401 WeakPolarHBondContact CG-OD1 3.47Å; P399-N401 PolarHBondContact O-N 2.97Å; P399-N401 PolarHBondContact O-OD1 3.02Å; P399-A402 HydrophobicContact CG-CB 4.37Å; P399-A402 WeakPolarHBondContact O-CB 3.46Å; P399-A402 PolarHBondContact O-N 3.46Å
400S70.5Confident86Confident118 Ų11858.3 Ų58.383%0.82535%0.351SS*.THydrogen-bonded Turntrans-58.4-19.1-172.648.20000114.5N403S400-N403 PolarHBondContact O-OD1 3.2Å
401N70.8Confident86.3Confident134 Ų13452.5 Ų52.572%0.71732%0.319SS*.THydrogen-bonded Turntrans-79-18.2176.362.5-6.2000114.1P399P399-N401 VanDerWaalsContact CB-OD1 3.31Å; P399-N401 WeakPolarHBondContact CB-OD1 3.36Å; P399-N401 WeakPolarHBondContact CG-OD1 3.47Å; P399-N401 PolarHBondContact O-N 2.97Å; P399-N401 PolarHBondContact O-OD1 3.02Å
402A70.8Confident86.5Confident35 Ų3553.2 Ų53.229%0.28932%0.324SS..SBendtrans-84-20.2-174.200000113.3R381 P399 S404R381-A402 PolarHBondContact NH1-O 3.38Å; R381-A402 VanDerWaalsContact NH1-O 3.1Å; P399-A402 HydrophobicContact CG-CB 4.37Å; P399-A402 WeakPolarHBondContact O-CB 3.46Å; P399-A402 PolarHBondContact O-N 3.46Å; A402-S404 PolarHBondContact O-N 3.22Å; A402-S404 VanDerWaalsContact O-N 3.1Å
403N77.5Confident86.7Confident102 Ų10249.3 Ų49.355%0.54529%0.292SS..  trans4734.4-173.4-69.2-8.4000113.1S400S400-N403 PolarHBondContact O-OD1 3.2Å
404S86.6Confident86.9Confident19 Ų1947.2 Ų47.213%0.13328%0.281CS..EExtended strand (participates in β ladder)trans-82.8142.9178.7-75.40000110.2E384 W397 A402E384-S404 PolarHBondContact OE1-OG 3.44Å; W397-S404 PolarHBondContact N-O 3.22Å; W397-S404 WeakPolarHBondContact O-CB 3.29Å; W397-S404 VanDerWaalsContact O-O 3.11Å; A402-S404 PolarHBondContact O-N 3.22Å; A402-S404 VanDerWaalsContact O-N 3.1Å
405R90.2Very high87Confident24 Ų2445.7 Ų45.79%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-137.7150.3-176.669.5179.4-176176.80.7112.7L371 I379 R381 E384 W394 Y395L371-R405 HydrophobicContact CD1-CB 4.13Å; I379-R405 PolarHBondContact O-NH2 3.28Å; R381-R405 PolarHBondContact O-NE 3.49Å; R381-R405 PolarHBondContact O-NH2 3.48Å; E384-R405 PolarHBondContact N-O 2.89Å; E384-R405 VanDerWaalsContact N-O 3.09Å; W394-R405 HydrophobicContact CE3-CB 4.23Å; W394-R405 HydrophobicContact CE3-CG 3.72Å; W394-R405 HydrophobicContact CZ3-CG 3.93Å; Y395-R405 CarbonylContact O-C 3.5Å; Y395-R405 VanDerWaalsContact O-CA 3.23Å; Y395-R405 WeakPolarHBondContact O-CA 3.22Å
406L92.8Very high87.2Confident0 Ų048.9 Ų48.90%029%0.288CS..EExtended strand (participates in β ladder)trans-120.1145.6175.8-61.2178.3000110.8E384 Y395 W397 C410 W411 W414 L420E384-L406 HydrophobicContact CB-CD2 3.97Å; Y395-L406 PolarHBondContact N-O 2.72Å; Y395-L406 PolarHBondContact O-N 3.05Å; W397-L406 HydrophobicContact CB-CD1 3.92Å; W397-L406 HydrophobicContact CB-CG 3.79Å; W397-L406 VanDerWaalsContact CD1-CD1 3.49Å; W397-L406 HydrophobicContact CD2-CD1 4.19Å; W397-L406 HydrophobicContact CD2-CG 4.41Å; W397-L406 HydrophobicContact CG-CD1 3.6Å; W397-L406 HydrophobicContact CG-CG 3.9Å; L406-C410 HydrophobicContact CB-CB 4.13Å; L406-C410 HydrophobicContact CD2-CB 4.1Å; L406-C410 HydrophobicContact CG-CB 4.49Å; L406-W411 HydrophobicContact CB-CB 4.32Å; L406-W411 HydrophobicContact CD1-CE3 4.38Å; L406-W414 HydrophobicContact CD1-CB 4.19Å; L406-W414 HydrophobicContact CD1-CG 4.4Å; L406-L420 HydrophobicContact CD1-CD2 3.86Å; L406-L420 HydrophobicContact CD2-CD1 4.46Å; L406-L420 HydrophobicContact CD2-CD2 3.72Å; L406-L420 HydrophobicContact CG-CD2 4.48Å
407C93.8Very high87.4Confident3 Ų347.4 Ų47.42%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-69.7164.3165.571.60000110.6C383 C386 S391 W394 D409 C410 W411C383-C407 HydrophobicContact CB-CB 4.2Å; C383-C407 PolarHBondContact SG-N 3.43Å; C383-C407 VanDerWaalsContact SG-SG 3.61Å; C386-C407 VanDerWaalsContact SG-SG 3.63Å; S391-C407 WeakPolarHBondContact OG-CA 3.44Å; S391-C407 WeakPolarHBondContact OG-CB 3.5Å; W394-C407 HydrophobicContact CZ3-CB 4.41Å; C407-D409 VanDerWaalsContact C-N 3.26Å; C407-D409 PolarHBondContact O-N 2.76Å; C407-C410 PolarHBondContact O-N 3.11Å; C407-C410 PolarHBondContact SG-N 2.82Å; C407-W411 WeakPolarHBondContact O-CB 3.15Å; C407-W411 PolarHBondContact O-N 2.77Å
408T93.3Very high87.6Confident30 Ų3045.9 Ų45.918%0.18427%0.27CS..Hα-helixtrans-49.4-41.8178.6-54.40000114S391 S392 Q393 S412S391-T408 PolarHBondContact OG-N 3.48Å; S391-T408 PolarHBondContact OG-OG1 3.49Å; S392-T408 PolarHBondContact OG-OG1 2.83Å; S392-T408 VanDerWaalsContact OG-OG1 3.1Å; Q393-T408 PolarHBondContact N-OG1 2.9Å; Q393-T408 PolarHBondContact O-N 3.34Å; Q393-T408 PolarHBondContact O-OG1 3.39Å; T408-S412 WeakPolarHBondContact O-CB 3.21Å; T408-S412 PolarHBondContact O-N 2.6Å; T408-S412 PolarHBondContact O-OG 3.08Å
409D93.3Very high88.1Confident126 Ų12643.9 Ų43.967%0.67425%0.249SC*.Hα-helixtrans-72.6-45.1-177.1-56-42.2000112.1C407 W411 S412 Y413C407-D409 VanDerWaalsContact C-N 3.26Å; C407-D409 PolarHBondContact O-N 2.76Å; D409-W411 VanDerWaalsContact C-N 3.32Å; D409-W411 PolarHBondContact O-N 2.79Å; D409-S412 PolarHBondContact O-N 2.68Å; D409-Y413 WeakPolarHBondContact O-CB 3.33Å; D409-Y413 PolarHBondContact O-N 2.8Å
410C94.5Very high88.8Confident15 Ų1540.5 Ų40.510%0.10123%0.227CC..Hα-helixtrans-66.9-36.5176.8-71.10000111.4C383 L406 C407 W414C383-C410 VanDerWaalsContact SG-SG 3.61Å; L406-C410 HydrophobicContact CB-CB 4.13Å; L406-C410 HydrophobicContact CD2-CB 4.1Å; L406-C410 HydrophobicContact CG-CB 4.49Å; C407-C410 PolarHBondContact O-N 3.11Å; C407-C410 PolarHBondContact SG-N 2.82Å; C410-W414 WeakPolarHBondContact O-CB 3.46Å; C410-W414 PolarHBondContact O-N 3.39Å
411W93.3Very high89.7Confident14 Ų1440.2 Ų40.25%0.05321%0.211CC..Hα-helixtrans-62.2-46.2172.8177.2-99.1000111.5N367 A369 Y395 A396 L406 C407 D409 W414 K415N367-W411 VanDerWaalsContact ND2-CZ2 3.35Å; N367-W411 WeakPolarHBondContact ND2-CZ2 3.45Å; A369-W411 HydrophobicContact CB-CH2 3.42Å; A369-W411 VanDerWaalsContact CB-CH2 3.42Å; A369-W411 HydrophobicContact CB-CZ2 3.88Å; A369-W411 HydrophobicContact CB-CZ3 4.1Å; Y395-W411 VanDerWaalsContact CB-CD2 3.46Å; Y395-W411 AromaticContact CD1-CD1 3.81Å; Y395-W411 AromaticContact CD1-CD2 3.6Å; Y395-W411 HydrophobicContact CD1-CD2 3.6Å; Y395-W411 AromaticContact CD1-CE2 3.49Å; Y395-W411 VanDerWaalsContact CD1-CE2 3.49Å; Y395-W411 HydrophobicContact CD1-CE3 4.19Å; Y395-W411 AromaticContact CD1-CG 3.82Å; Y395-W411 HydrophobicContact CD1-CG 3.82Å; Y395-W411 HydrophobicContact CD1-CZ2 4.01Å; Y395-W411 AromaticContact CD1-NE1 3.61Å; Y395-W411 HydrophobicContact CD2-CB 3.56Å; Y395-W411 AromaticContact CD2-CD1 3.87Å; Y395-W411 HydrophobicContact CD2-CD2 4.02Å; Y395-W411 AromaticContact CD2-CG 3.51Å; Y395-W411 HydrophobicContact CD2-CG 3.51Å; Y395-W411 AromaticContact CE1-CD1 3.76Å; Y395-W411 HydrophobicContact CE1-CD2 4.32Å; Y395-W411 AromaticContact CE1-CE2 3.98Å; Y395-W411 HydrophobicContact CE1-CG 4.2Å; Y395-W411 AromaticContact CE1-NE1 3.61Å; Y395-W411 HydrophobicContact CE2-CB 4.1Å; Y395-W411 AromaticContact CE2-CD1 3.86Å; Y395-W411 AromaticContact CE2-CG 3.96Å; Y395-W411 HydrophobicContact CE2-CG 3.96Å; Y395-W411 HydrophobicContact CG-CB 3.91Å; Y395-W411 AromaticContact CG-CD1 3.85Å; Y395-W411 AromaticContact CG-CD2 3.41Å; Y395-W411 HydrophobicContact CG-CD2 3.41Å; Y395-W411 VanDerWaalsContact CG-CD2 3.41Å; Y395-W411 AromaticContact CG-CE2 3.85Å; Y395-W411 AromaticContact CG-CE3 3.8Å; Y395-W411 HydrophobicContact CG-CE3 3.8Å; Y395-W411 AromaticContact CG-CG 3.44Å; Y395-W411 HydrophobicContact CG-CG 3.44Å; Y395-W411 VanDerWaalsContact CG-CG 3.44Å; Y395-W411 HydrophobicContact CG-CZ3 4.48Å; Y395-W411 AromaticContact CZ-CD1 3.79Å; A396-W411 WeakPolarHBondContact O-CZ3 3.39Å; L406-W411 HydrophobicContact CB-CB 4.32Å; L406-W411 HydrophobicContact CD1-CE3 4.38Å; C407-W411 WeakPolarHBondContact O-CB 3.15Å; C407-W411 PolarHBondContact O-N 2.77Å; D409-W411 VanDerWaalsContact C-N 3.32Å; D409-W411 PolarHBondContact O-N 2.79Å; W411-W414 HydrophobicContact CE3-CE3 4.05Å; W411-W414 HydrophobicContact CE3-CZ3 4.18Å; W411-W414 HydrophobicContact CH2-CE3 4.36Å; W411-W414 AromaticContact CH2-CZ3 3.71Å; W411-W414 HydrophobicContact CH2-CZ3 3.71Å; W411-W414 HydrophobicContact CZ2-CZ3 4.3Å; W411-W414 AromaticContact CZ3-CE3 3.98Å; W411-W414 HydrophobicContact CZ3-CE3 3.98Å; W411-W414 AromaticContact CZ3-CZ3 3.65Å; W411-W414 HydrophobicContact CZ3-CZ3 3.65Å; W411-W414 PolarHBondContact O-N 3.41Å; W411-K415 HydrophobicContact CD2-CG 4.31Å; W411-K415 HydrophobicContact CZ2-CD 3.85Å; W411-K415 HydrophobicContact CZ2-CG 4.06Å; W411-K415 WeakPolarHBondContact O-CG 3.33Å; W411-K415 PolarHBondContact O-N 3.07Å
412S92.3Very high90.2Very high50 Ų5035.6 Ų35.635%0.3519%0.189SC..Hα-helixtrans-64.3-43.3179.3-61.30000111.8T408 D409 K415 R416T408-S412 WeakPolarHBondContact O-CB 3.21Å; T408-S412 PolarHBondContact O-N 2.6Å; T408-S412 PolarHBondContact O-OG 3.08Å; D409-S412 PolarHBondContact O-N 2.68Å; S412-K415 PolarHBondContact O-N 2.91Å; S412-R416 WeakPolarHBondContact O-CG 3.24Å; S412-R416 PolarHBondContact O-N 2.78Å; S412-R416 VanDerWaalsContact O-N 3.13Å
413Y94.2Very high90.3Very high31 Ų3137.3 Ų37.312%0.12219%0.192CC..Hα-helixtrans-60.4-48.9173.9-174.2-88.6000111.2D409 K415 R416 Y417 G419 K421D409-Y413 WeakPolarHBondContact O-CB 3.33Å; D409-Y413 PolarHBondContact O-N 2.8Å; Y413-K415 PolarHBondContact O-N 3.4Å; Y413-R416 PolarHBondContact O-N 2.98Å; Y413-Y417 HydrophobicContact CD1-CD2 4.26Å; Y413-Y417 AromaticContact CD2-CD2 3.46Å; Y413-Y417 HydrophobicContact CD2-CD2 3.46Å; Y413-Y417 VanDerWaalsContact CD2-CD2 3.46Å; Y413-Y417 AromaticContact CD2-CE2 3.74Å; Y413-Y417 HydrophobicContact CD2-CE2 3.74Å; Y413-Y417 HydrophobicContact CE1-CD2 4.24Å; Y413-Y417 HydrophobicContact CE1-CG 4.5Å; Y413-Y417 AromaticContact CE2-CD2 3.42Å; Y413-Y417 HydrophobicContact CE2-CD2 3.42Å; Y413-Y417 VanDerWaalsContact CE2-CD2 3.42Å; Y413-Y417 AromaticContact CE2-CE2 3.73Å; Y413-Y417 HydrophobicContact CE2-CE2 3.73Å; Y413-Y417 HydrophobicContact CE2-CG 4.15Å; Y413-Y417 AromaticContact CG-CD2 3.89Å; Y413-Y417 HydrophobicContact CG-CD2 3.89Å; Y413-Y417 AromaticContact CZ-CD2 3.83Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.44Å; Y413-Y417 PolarHBondContact O-N 3.2Å; Y413-G419 VanDerWaalsContact CD1-O 3.22Å; Y413-G419 WeakPolarHBondContact CD1-O 3.5Å; Y413-G419 WeakPolarHBondContact CE1-O 3.5Å; Y413-K421 HydrophobicContact CD1-CB 4Å; Y413-K421 HydrophobicContact CD2-CB 4.3Å; Y413-K421 HydrophobicContact CD2-CD 4.34Å; Y413-K421 HydrophobicContact CE1-CB 3.79Å; Y413-K421 HydrophobicContact CE1-CG 4.48Å; Y413-K421 HydrophobicContact CE2-CB 4.11Å; Y413-K421 HydrophobicContact CE2-CD 4.16Å; Y413-K421 HydrophobicContact CE2-CG 4.05Å; Y413-K421 HydrophobicContact CG-CB 4.26Å
414W94.2Very high89.6Confident25 Ų2541.2 Ų41.210%0.09521%0.207CC..Hα-helixtrans-64.6-36.417817883.8000112.4T20 P22 W397 L406 C410 W411 R416 G418 G419 L420T20-W414 WeakPolarHBondContact O-CH2 3.42Å; P22-W414 HydrophobicContact CG-CD2 4.2Å; P22-W414 HydrophobicContact CG-CH2 4.09Å; P22-W414 HydrophobicContact CG-CZ2 3.63Å; W397-W414 AromaticContact CD1-CD2 3.79Å; W397-W414 AromaticContact CD1-CE2 3.64Å; W397-W414 AromaticContact CD1-CZ2 3.84Å; W397-W414 AromaticContact NE1-CD1 3.47Å; W397-W414 AromaticContact NE1-CD2 3.6Å; W397-W414 AromaticContact NE1-CE2 3.15Å; W397-W414 AromaticContact NE1-CG 3.79Å; W397-W414 AromaticContact NE1-CZ2 3.61Å; W397-W414 AromaticContact NE1-NE1 3.08Å; L406-W414 HydrophobicContact CD1-CB 4.19Å; L406-W414 HydrophobicContact CD1-CG 4.4Å; C410-W414 WeakPolarHBondContact O-CB 3.46Å; C410-W414 PolarHBondContact O-N 3.39Å; W411-W414 HydrophobicContact CE3-CE3 4.05Å; W411-W414 HydrophobicContact CE3-CZ3 4.18Å; W411-W414 HydrophobicContact CH2-CE3 4.36Å; W411-W414 AromaticContact CH2-CZ3 3.71Å; W411-W414 HydrophobicContact CH2-CZ3 3.71Å; W411-W414 HydrophobicContact CZ2-CZ3 4.3Å; W411-W414 AromaticContact CZ3-CE3 3.98Å; W411-W414 HydrophobicContact CZ3-CE3 3.98Å; W411-W414 AromaticContact CZ3-CZ3 3.65Å; W411-W414 HydrophobicContact CZ3-CZ3 3.65Å; W411-W414 PolarHBondContact O-N 3.41Å; W414-R416 VanDerWaalsContact C-N 3.33Å; W414-R416 PolarHBondContact O-N 2.91Å; W414-G418 WeakPolarHBondContact O-CA 3.42Å; W414-G418 PolarHBondContact O-N 3.03Å; W414-G419 WeakPolarHBondContact CA-O 3.32Å; W414-L420 HydrophobicContact CB-CD2 4.33Å
415K93.5Very high88.3Confident4 Ų440.8 Ų40.82%0.01720%0.204CC..Hα-helixtrans-63.6-40.6174.3-76.5-70.1-67.3-167.20111.8E16 A19 A21 Y23 W411 S412 Y413E16-K415 IonicContact OE1-NZ 3.03Å; E16-K415 PolarHBondContact OE1-NZ 2.7Å; A19-K415 PolarHBondContact O-NZ 3.24Å; A21-K415 WeakPolarHBondContact O-CE 3.03Å; A21-K415 PolarHBondContact O-NZ 3.17Å; Y23-K415 HydrophobicContact CD2-CB 4.26Å; Y23-K415 WeakPolarHBondContact CD2-O 3.44Å; Y23-K415 HydrophobicContact CE2-CB 3.92Å; Y23-K415 PolarHBondContact N-O 2.74Å; W411-K415 HydrophobicContact CD2-CG 4.31Å; W411-K415 HydrophobicContact CZ2-CD 3.85Å; W411-K415 HydrophobicContact CZ2-CG 4.06Å; W411-K415 WeakPolarHBondContact O-CG 3.33Å; W411-K415 PolarHBondContact O-N 3.07Å; S412-K415 PolarHBondContact O-N 2.91Å; Y413-K415 PolarHBondContact O-N 3.4Å
416R94.6Very high86.3Confident94 Ų9447.1 Ų47.136%0.35523%0.233SC..Hα-helixtrans-79.3-46.6-176.2-68.3174.1-176.8-154.6-9.7113.6Y14 R48 E149 S412 Y413 W414Y14-R416 HydrophobicContact CE1-CB 4.48Å; Y14-R416 HydrophobicContact CE2-CG 4.29Å; R48-R416 PolarHBondContact NH2-O 2.82Å; E149-R416 IonicContact OE1-CZ 2.87Å; E149-R416 IonicContact OE1-NE 2.69Å; E149-R416 IonicContact OE1-NH1 3.61Å; E149-R416 PolarHBondContact OE1-NH1 3.49Å; E149-R416 IonicContact OE1-NH2 2.9Å; E149-R416 PolarHBondContact OE1-NH2 2.97Å; S412-R416 WeakPolarHBondContact O-CG 3.24Å; S412-R416 PolarHBondContact O-N 2.78Å; S412-R416 VanDerWaalsContact O-N 3.13Å; Y413-R416 PolarHBondContact O-N 2.98Å; W414-R416 VanDerWaalsContact C-N 3.33Å; W414-R416 PolarHBondContact O-N 2.91Å
417Y94.3Very high84.1Confident12 Ų1251.2 Ų51.25%0.04725%0.252CS..Hα-helixtrans-105.8-27.4-174-58.3-75.4000112.1R48 R50 R110 E149 F151 Y413 G419R48-Y417 PolarHBondContact NH1-O 3.24Å; R50-Y417 PolarHBondContact NH2-O 3.21Å; R110-Y417 HydrophobicContact CG-CD1 4.07Å; R110-Y417 HydrophobicContact CG-CE1 3.99Å; E149-Y417 PolarHBondContact N-OH 2.79Å; F151-Y417 AromaticContact CE1-CD1 3.68Å; F151-Y417 HydrophobicContact CE1-CD1 3.68Å; F151-Y417 HydrophobicContact CE1-CE1 4.08Å; F151-Y417 HydrophobicContact CE2-CE1 4.46Å; F151-Y417 AromaticContact CZ-CD1 3.68Å; F151-Y417 HydrophobicContact CZ-CD1 3.68Å; F151-Y417 AromaticContact CZ-CE1 3.77Å; F151-Y417 HydrophobicContact CZ-CE1 3.77Å; Y413-Y417 HydrophobicContact CD1-CD2 4.26Å; Y413-Y417 AromaticContact CD2-CD2 3.46Å; Y413-Y417 HydrophobicContact CD2-CD2 3.46Å; Y413-Y417 VanDerWaalsContact CD2-CD2 3.46Å; Y413-Y417 AromaticContact CD2-CE2 3.74Å; Y413-Y417 HydrophobicContact CD2-CE2 3.74Å; Y413-Y417 HydrophobicContact CE1-CD2 4.24Å; Y413-Y417 HydrophobicContact CE1-CG 4.5Å; Y413-Y417 AromaticContact CE2-CD2 3.42Å; Y413-Y417 HydrophobicContact CE2-CD2 3.42Å; Y413-Y417 VanDerWaalsContact CE2-CD2 3.42Å; Y413-Y417 AromaticContact CE2-CE2 3.73Å; Y413-Y417 HydrophobicContact CE2-CE2 3.73Å; Y413-Y417 HydrophobicContact CE2-CG 4.15Å; Y413-Y417 AromaticContact CG-CD2 3.89Å; Y413-Y417 HydrophobicContact CG-CD2 3.89Å; Y413-Y417 AromaticContact CZ-CD2 3.83Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.44Å; Y413-Y417 PolarHBondContact O-N 3.2Å; Y417-G419 VanDerWaalsContact C-N 3.27Å; Y417-G419 PolarHBondContact O-N 3.1Å
418G91.6Very high81.5Confident9 Ų960.6 Ų60.69%0.09329%0.286CS..SBendtrans66.621.4174.800000116.3R50 W414R50-G418 VanDerWaalsContact CZ-O 3.24Å; R50-G418 PolarHBondContact NH1-O 2.95Å; R50-G418 VanDerWaalsContact NH2-C 3.28Å; R50-G418 PolarHBondContact NH2-O 2.67Å; W414-G418 WeakPolarHBondContact O-CA 3.42Å; W414-G418 PolarHBondContact O-N 3.03Å
419G90.8Very high78.8Confident4 Ų464.9 Ų64.94%0.04132%0.315CS..SBendtrans-118.2-178.2147.200000109.8Y413 W414 Y417 E427Y413-G419 VanDerWaalsContact CD1-O 3.22Å; Y413-G419 WeakPolarHBondContact CD1-O 3.5Å; Y413-G419 WeakPolarHBondContact CE1-O 3.5Å; W414-G419 WeakPolarHBondContact CA-O 3.32Å; Y417-G419 VanDerWaalsContact C-N 3.27Å; Y417-G419 PolarHBondContact O-N 3.1Å; G419-E427 WeakPolarHBondContact CA-OE1 3.2Å
420L91.3Very high76.1Confident2 Ų264.4 Ų64.41%0.0132%0.317CS..  trans-94.8148.2170.1-65.5174.3000109.3H105 H109 W397 L406 W414 S422 S425 E427H105-L420 PolarHBondContact NE2-O 3.25Å; H109-L420 PolarHBondContact NE2-O 3.31Å; W397-L420 HydrophobicContact CH2-CD1 4Å; W397-L420 HydrophobicContact CZ2-CD1 4.13Å; W397-L420 HydrophobicContact CZ2-CG 4.49Å; W397-L420 HydrophobicContact CZ3-CD1 4.47Å; L406-L420 HydrophobicContact CD1-CD2 3.86Å; L406-L420 HydrophobicContact CD2-CD1 4.46Å; L406-L420 HydrophobicContact CD2-CD2 3.72Å; L406-L420 HydrophobicContact CG-CD2 4.48Å; W414-L420 HydrophobicContact CB-CD2 4.33Å; L420-S422 PolarHBondContact O-N 3.37Å; L420-S425 WeakPolarHBondContact CB-OG 3.49Å; L420-S425 WeakPolarHBondContact CD1-OG 3.45Å; L420-E427 PolarHBondContact N-OE1 3.11Å
421K89.8Confident73.1Confident112 Ų11269.6 Ų69.649%0.48735%0.348SS..SBendtrans-71.5-28.8-171.7-170176.2178.7-179.50113.5Q106 Y413Q106-K421 HydrophobicContact CG-CG 4.38Å; Y413-K421 HydrophobicContact CD1-CB 4Å; Y413-K421 HydrophobicContact CD2-CB 4.3Å; Y413-K421 HydrophobicContact CD2-CD 4.34Å; Y413-K421 HydrophobicContact CE1-CB 3.79Å; Y413-K421 HydrophobicContact CE1-CG 4.48Å; Y413-K421 HydrophobicContact CE2-CB 4.11Å; Y413-K421 HydrophobicContact CE2-CD 4.16Å; Y413-K421 HydrophobicContact CE2-CG 4.05Å; Y413-K421 HydrophobicContact CG-CB 4.26Å
422S81.6Confident70.1Confident36 Ų3675.3 Ų75.325%0.25239%0.385SS..SBendtrans-96.1138.2180-172.90000111.3G385 L420 E424 S425G385-S422 WeakPolarHBondContact O-CB 3.5Å; L420-S422 PolarHBondContact O-N 3.37Å; S422-E424 VanDerWaalsContact C-N 3.31Å; S422-S425 PolarHBondContact O-N 3.17Å; S422-S425 PolarHBondContact O-OG 3.09Å
423I73.2Confident67Low72 Ų7281.1 Ų81.137%0.36941%0.411SS..THydrogen-bonded Turntrans-68.3-32.3177.8-63.2164.5000111.2E101 Q102 H105 S425E101-I423 HydrophobicContact CB-CD1 4.23Å; E101-I423 HydrophobicContact CG-CD1 3.84Å; Q102-I423 HydrophobicContact CB-CD1 4.22Å; H105-I423 HydrophobicContact CB-CD1 4.03Å; H105-I423 HydrophobicContact CB-CG1 3.72Å; I423-S425 PolarHBondContact O-N 3.43Å
424E63Low63.9Low183 Ų18390.8 Ų90.886%0.85545%0.447SS*.THydrogen-bonded Turntrans-70.5-11.8-177-64.117917800113.6S422S422-E424 VanDerWaalsContact C-N 3.31Å
425S59Low60.7Low11 Ų1196.3 Ų96.38%0.07748%0.484CS..SBendtrans-73.1131.4174.465.40000110.1E384 L420 S422 I423 E427E384-S425 WeakPolarHBondContact O-CB 3.45Å; L420-S425 WeakPolarHBondContact CB-OG 3.49Å; L420-S425 WeakPolarHBondContact CD1-OG 3.45Å; S422-S425 PolarHBondContact O-N 3.17Å; S422-S425 PolarHBondContact O-OG 3.09Å; I423-S425 PolarHBondContact O-N 3.43Å; S425-E427 PolarHBondContact O-N 3.32Å
426K48.6Very low57.7Low157 Ų157105.5 Ų105.568%0.68353%0.527SS*.  trans-66.779.8179.8-73.7174.91791680110.6R428K426-R428 PolarHBondContact O-N 3.12Å
427E46.6Very low54.6Low85 Ų85110.2 Ų110.240%0.39755%0.553SS.*  trans-66.299.5167.3-75.1-167.9160.800108.6H105 H109 G419 L420 S425H105-E427 IonicContact CE1-OE1 2.64Å; H105-E427 IonicContact CE1-OE2 3Å; H109-E427 IonicContact CE1-OE1 3.76Å; H109-E427 IonicContact NE2-OE1 3.3Å; G419-E427 WeakPolarHBondContact CA-OE1 3.2Å; L420-E427 PolarHBondContact N-OE1 3.11Å; S425-E427 PolarHBondContact O-N 3.32Å
428R38.4Very low51.8Low200 Ų200118.4 Ų118.476%0.75559%0.592SS**  trans-90.5134.3167.8-76.3-174.8-172.9-174.81.8109.5K426 T430K426-R428 PolarHBondContact O-N 3.12Å; R428-T430 PolarHBondContact O-N 2.9Å; R428-T430 VanDerWaalsContact O-N 3.14Å
429P35.8Very low48.8Very low120 Ų120126 Ų12678%0.77963%0.629SS**  trans-62116.1168.1-13.226.2000108.7T431P429-T431 PolarHBondContact O-N 2.87Å; P429-T431 VanDerWaalsContact O-N 3.11Å
430T38.4Very low45.9Very low117 Ų117133.4 Ų133.472%0.71867%0.668SS**  trans-69.6106.5168.8-2.40000107.9R428 T432R428-T430 PolarHBondContact O-N 2.9Å; R428-T430 VanDerWaalsContact O-N 3.14Å; T430-T432 PolarHBondContact O-N 3.39Å
431T31.2Very low43.2Very low124 Ų124138.9 Ų138.976%0.76171%0.706SS**  trans-58.2131.7178.5-270000110.9P429 L433P429-T431 PolarHBondContact O-N 2.87Å; P429-T431 VanDerWaalsContact O-N 3.11Å; T431-L433 PolarHBondContact O-N 2.92Å; T431-L433 VanDerWaalsContact O-N 3.12Å
432T29.9Very low40.6Very low134 Ų134138.7 Ų138.782%0.82272%0.719SS**  trans-55.8101.2170.629.40000111.9T430T430-T432 PolarHBondContact O-N 3.39Å
433L28.1Very low38.3Very low171 Ų171143.5 Ų143.590%0.89575%0.747SS**  trans-95.683.6159.8-81.8165.4000109T431T431-L433 PolarHBondContact O-N 2.92Å; T431-L433 VanDerWaalsContact O-N 3.12Å
434R27.9Very low36.5Very low235 Ų235145.6 Ų145.689%0.88776%0.763SS**  trans-162.397.2155.8-105.1174.6-172.9-176.11.6107.1
435T28.1Very low35.1Very low140 Ų140144.7 Ų144.786%0.85976%0.759SS**  trans153.874.7148.1-54.70000109.2
436Q29.2Very low33.8Very low198 Ų198149.8 Ų149.893%0.92579%0.789SS**  trans-155.375.9156.7-76.3-161.7-0.900108.9
437Q29.6Very low33.1Very low192 Ų192149.1 Ų149.190%0.89779%0.794SS**  trans-147.880155.8-91-174.111.300106.5
438Q34.8Very low32.5Very low184 Ų184150 Ų15086%0.8681%0.809SS**SBendtrans179.7132.6148.1-101.1170.921.900108.1
439L30.3Very low32.1Very low168 Ų168150 Ų15088%0.8881%0.814SS**  trans92.385.9165.9-54.5155.8000116.9
440N29.9Very low31.9Very low161 Ų161150.3 Ų150.386%0.86182%0.82SS**  trans-128114.2142.6-97.7-10.2000106.7
441S34Very low31.6Very low117 Ų117148.5 Ų148.582%0.81882%0.824SS**  trans174.8122.9143.1-76.30000111.1
442S35.4Very low31.5Very low108 Ų108146.3 Ų146.376%0.75583%0.826SS**  trans61.695.115454.40000118.7
443T32.9Very low31.6Very low137 Ų137145.7 Ų145.784%0.8483%0.825SS**  62.3131.881.6-19.40000116.2
444V35.9Very low31.7Very low115 Ų115145.4 Ų145.470%0.69782%0.822SS**  trans119.796.4152.5-173.20000116.9
445E33.1Very low31.7Very low165 Ų165141 Ų14177%0.77182%0.816SS**  65.4112127.1-60.4178.9173.200124.4
446T32.7Very low31.9Very low117 Ų117141.6 Ų141.672%0.71881%0.813SS**  65.8130.6126.364.90000124
447N32.6Very low31.9Very low144 Ų144138.7 Ų138.777%0.7781%0.809SS**  trans92.3108.2137.6-75.9-12.1000121.6
448S34.2Very low31.8Very low103 Ų103133.2 Ų133.272%0.7280%0.803SS**  80.4107.2119.7-58.50000121.7
449K31Very low31.6Very low199 Ų199130.1 Ų130.187%0.86580%0.802SS**  trans59124.2131.5-86177.3175.3174.10121.5
450S31.5Very low31.5Very low128 Ų128127.8 Ų127.890%0.89580%0.795SS**  trans99.4128.6135.575.10000119
451G30.8Very low31.4Very low79 Ų79127.8 Ų127.881%0.81480%0.795SS**  trans126.385.6147.100000118.5
452G28.7Very low31.2Very low78 Ų78129.5 Ų129.580%0.80479%0.789SS**  trans80.9151.1130.900000120.5
453P33.2Very low31Very low121 Ų121132.6 Ų132.679%0.78679%0.792SS**  trans-107.4167.9-156.239.5-28.8000114
454I30.9Very low30.6Very low165 Ų165133.2 Ų133.285%0.84678%0.783SS**  trans-176.8135.7136.5-88.8148.4000110.8
455N27.2Very low30.3Very low142 Ų142135 Ų13576%0.75978%0.782SS**  trans-20.8150.5170.5-62.2-31000120.6
456I32Very low30.1Very low153 Ų153132 Ų13279%0.78578%0.779SS**  -174.2111.1114.6-86.6152.6000110.8
457T28.4Very low29.8Very low137 Ų137135.4 Ų135.484%0.8479%0.786SS**  trans38.9128.4143.967.70000123
458G28.2Very low29.6Very low76 Ų76134 Ų13478%0.78479%0.787SS**  trans169.482.1156.400000117
459S30.3Very low29.2Very low120 Ų120136.1 Ų136.184%0.83979%0.789SS**  trans60.1103.9152.8-136.80000120.2
460V28.1Very low29Very low119 Ų119129.9 Ų129.972%0.72178%0.781SS**  trans-103.4113.4168-171.30000109.2H462V460-H462 VanDerWaalsContact CG1-CD2 3.5Å; V460-H462 WeakPolarHBondContact CG1-CD2 3.26Å
461N29.1Very low28.8Very low160 Ų160131.4 Ų131.486%0.85678%0.779SS**  trans-90.396.9164.7-99.8-15.8000108.7Q463N461-Q463 PolarHBondContact O-N 3.04Å
462H28.5Very low28.6Very low153 Ų153133.3 Ų133.371%0.70878%0.78SS**  trans-81105.4165-95.2-77.2000109.5V460 F464V460-H462 VanDerWaalsContact CG1-CD2 3.5Å; V460-H462 WeakPolarHBondContact CG1-CD2 3.26Å; H462-F464 HydrophobicContact CB-CD2 4.44Å; H462-F464 HydrophobicContact CB-CE2 4.49Å; H462-F464 PolarHBondContact O-N 3.01Å
463Q30.9Very low28.6Very low174 Ų174135.3 Ų135.381%0.81378%0.781SS**  trans-87.897.4160.7-84.9-170.61000109.6N461N461-Q463 PolarHBondContact O-N 3.04Å
464F26.2Very low28.3Very low149 Ų149133.3 Ų133.365%0.65478%0.783SS**  trans-65.3126.3156.3-83-92.5000109.2V310 H462V310-F464 HydrophobicContact CG2-CD1 4.36Å; V310-F464 HydrophobicContact CG2-CE1 4.17Å; V310-F464 HydrophobicContact CG2-CZ 4.24Å; H462-F464 HydrophobicContact CB-CD2 4.44Å; H462-F464 HydrophobicContact CB-CE2 4.49Å; H462-F464 PolarHBondContact O-N 3.01Å
465K28.5Very low28.1Very low153 Ų153130.5 Ų130.567%0.66578%0.784SS**  trans-133.391.7165.8-133.2162.1-171.6169.80110.9
466S28.7Very low28.1Very low102 Ų102131.7 Ų131.771%0.71379%0.79SS**  trans2.1114.6149.746.40000116.9S468S466-S468 PolarHBondContact O-N 2.9Å; S466-S468 VanDerWaalsContact O-N 3.14Å
467H26.4Very low28.1Very low189 Ų189132.3 Ų132.388%0.87579%0.794SS**  trans-57.2107.2150.1-74.9-87.5000109.2
468S28.7Very low28.1Very low113 Ų113129.4 Ų129.479%0.7979%0.792SS**  trans-86.498.9157510000107.6S466 G470S466-S468 PolarHBondContact O-N 2.9Å; S466-S468 VanDerWaalsContact O-N 3.14Å; S468-G470 VanDerWaalsContact C-N 3.35Å; S468-G470 PolarHBondContact O-N 3.24Å; S468-G470 VanDerWaalsContact O-N 3.13Å
469I26.9Very low28.2Very low148 Ų148129.6 Ų129.676%0.75979%0.794SS**  trans-69.2100158.3-64.1171.9000105.4L471I469-L471 HydrophobicContact CG2-CG 4.5Å; I469-L471 PolarHBondContact O-N 3.31Å
470G26.1Very low28.1Very low68 Ų68131 Ų13170%0.70179%0.792SS**  trans-73.197.4167.100000108.7S468 S472S468-G470 VanDerWaalsContact C-N 3.35Å; S468-G470 PolarHBondContact O-N 3.24Å; S468-G470 VanDerWaalsContact O-N 3.13Å; G470-S472 VanDerWaalsContact C-N 3.31Å; G470-S472 PolarHBondContact O-N 2.85Å; G470-S472 VanDerWaalsContact O-N 3.12Å
471L26.1Very low28.3Very low160 Ų160133.1 Ų133.184%0.83880%0.797SS**  trans-70.192.5157.3-77.4158.8000107.1I469I469-L471 HydrophobicContact CG2-CG 4.5Å; I469-L471 PolarHBondContact O-N 3.31Å
472S27.1Very low28.2Very low120 Ų120131.6 Ų131.684%0.83979%0.79SS**  trans-84102159.7-77.70000107.7G470 G474G470-S472 VanDerWaalsContact C-N 3.31Å; G470-S472 PolarHBondContact O-N 2.85Å; G470-S472 VanDerWaalsContact O-N 3.12Å; S472-G474 PolarHBondContact O-N 2.78Å
473S29.8Very low28.4Very low120 Ų120132.5 Ų132.584%0.83980%0.798SS**  trans-63.5116.7159.6-66.90000108.2
474G25.2Very low28.2Very low79 Ų79133.3 Ų133.381%0.81480%0.795SS**  trans-72.1135.217200000111.4S472S472-G474 PolarHBondContact O-N 2.78Å
475A28.1Very low28.4Very low105 Ų105131.4 Ų131.487%0.86880%0.795SS**  trans-140.2106.8150.100000105.8
476L27.2Very low28.5Very low168 Ų168130.4 Ų130.488%0.8880%0.797SS**  trans-104153.8170-93165.9000108.8
477D31.5Very low28.5Very low165 Ų165131.5 Ų131.588%0.88280%0.795SS**  trans71.6129.4169.9-85.5-7.5000118.3
478G28.9Very low28.9Very low77 Ų77129.9 Ų129.979%0.79479%0.788SS**  cis163.7159.16.300000108.5
479G29.4Very low29Very low80 Ų80131.5 Ų131.583%0.82578%0.783SS**  trans125102.9163.700000115.6
480D28Very low29.4Very low150 Ų150133 Ų13380%0.80279%0.786SS**  trans-55.9158.7174.1-61.1-58.8000115
481I33.2Very low29.6Very low162 Ų162135.7 Ų135.783%0.83178%0.784SS**  -176123115.6-87.1152.4000109
482D26.9Very low29.9Very low129 Ų129136.1 Ų136.169%0.6979%0.787SS**  trans-57.8156.7171.5-68.4-54.8000113.4
483I33.5Very low30Very low172 Ų172137.1 Ų137.188%0.88278%0.783SS**  trans-158.8140130.6-90141.7000109.7
484Y26.4Very low30.1Very low191 Ų191138.3 Ų138.375%0.74979%0.786SS**  trans-80.2167.4-164.1-101.8-103.7000117.3
485T30.1Very low30.3Very low108 Ų108139.7 Ų139.766%0.66378%0.783SS**  trans71.7146.1145.748.30000119.4
486N30.8Very low30.3Very low132 Ų132139 Ų13971%0.70678%0.777SS**  cis-163.7148.33.6-109.8-6.7000110.4
487D28.9Very low30.5Very low126 Ų126137.6 Ų137.667%0.67478%0.775SS**  trans26.5129.7141.4-63.1-38.1000122.8
488H33.6Very low30.3Very low154 Ų154136.9 Ų136.971%0.71377%0.772SS**  165.5143.283.6-110.7-29.4000113.6
489H31.7Very low30.5Very low148 Ų148142.2 Ų142.269%0.68578%0.778SS**  trans23.8136.4152.1-67.3-56.3000121.6
490H34.4Very low30.3Very low179 Ų179143.7 Ų143.783%0.82977%0.772SS**  -167148.766.1-119.7-59000113.8
491N30.6Very low30.5Very low125 Ų125144 Ų14467%0.66877%0.773SS**  trans-56.4154.8170.2-77.9-29.2000115
492N33.3Very low30.2Very low168 Ų168144 Ų14490%0.89878%0.775SS**  -158.1128.9119.9-96.9-19.8000112.7
493N29.4Very low30.5Very low142 Ų142142.7 Ų142.776%0.75978%0.782SS**  trans-83.9150.2170.7-77.9-33.8000110.4
494T31.8Very low30.1Very low145 Ų145142.5 Ų142.589%0.8978%0.783SS**  trans-153.9107.3144.115.50000111.8
495S29.2Very low30.2Very low108 Ų108139 Ų13976%0.75579%0.786SS**  trans6.3128.2142.9-470000120.1
496A28.1Very low29.9Very low90 Ų90143.1 Ų143.174%0.74480%0.795SS**  85133.9100.500000112.5
497T31.1Very low29.8Very low138 Ų138144.1 Ų144.185%0.84780%0.799SS**  -166.5156.253.534.30000112.1
498N27.2Very low29.6Very low150 Ų150145 Ų14580%0.80280%0.803SS**  trans-53.8159.3172.3-59.9-40.1000115.3
499M32.4Very low29.2Very low189 Ų189145.5 Ų145.593%0.93181%0.81SS**  -162.6132.8120.8-87.9-101.616000110.5
500T26.1Very low28.9Very low112 Ų112142 Ų14269%0.68782%0.815SS**  trans-83.5153.7176.646.20000110.6
501D31.8Very low28.5Very low155 Ų155139.7 Ų139.783%0.82982%0.818SS**  174.4147.4114.1-86.1-11.4000114.3
502N26.3Very low28.3Very low164 Ų164137.6 Ų137.688%0.87783%0.826SS**  trans-63.9150.9-180-74.3-47000114.3
503A32.7Very low28.1Very low101 Ų101138.6 Ų138.684%0.83582%0.823SS**  -165.8130127.900000112.3
504N25.8Very low27.9Very low168 Ų168141.5 Ų141.590%0.89883%0.829SS**  trans-63.1141.4168.2-74.8-48.7000112
505S29.6Very low27.8Very low117 Ų117137.5 Ų137.582%0.81882%0.817SS**  trans-159132137-158.10000112.1
506K23.6Very low28Very low195 Ų195138.7 Ų138.785%0.84882%0.82SS**  trans-78.1137.7169.6-74.3171.7170.6176.40109.3
507L27.7Very low27.9Very low152 Ų152140.8 Ų140.880%0.79682%0.818SS**  trans-179.1105.7148.8-96.4141000107.9
508I26.1Very low27.9Very low145 Ų145139.3 Ų139.374%0.74482%0.819SS**  70.1112.2100.5-62.8-179000114.3
509D24.2Very low28Very low164 Ų164135.6 Ų135.688%0.87782%0.817SS**  trans35127.2148.4-62.8-27.6000121.9
510G25.7Very low27.9Very low75 Ų75132 Ų13277%0.77381%0.806SS**  trans174.593.2164.600000113.3
511S26.5Very low28.1Very low130 Ų130132.7 Ų132.791%0.90981%0.812SS**  trans-34.4136.1165.150.60000115.8
512G26.4Very low27.8Very low81 Ų81137.3 Ų137.384%0.83582%0.817SS**  trans176.2118.5166.800000115.6
513F28Very low27.9Very low190 Ų190132.1 Ų132.183%0.83380%0.803SS**  trans-75.1157.3-178-101.7-113.5000115
514F26.4Very low27.9Very low203 Ų203132.4 Ų132.489%0.8979%0.794SS**  trans106131152.4-66.2-71.8000121
515G29.7Very low28Very low60 Ų60130.8 Ų130.862%0.61978%0.781SS**  trans121.2129.8166.500000112.7
516T32.2Very low28.1Very low134 Ų134129.3 Ų129.382%0.82277%0.77SS**  cis-165.3144.28.6-38.50000106.7
517L27.2Very low28.7Very low134 Ų134128.2 Ų128.270%0.70277%0.766SS**  trans-103.9130.2179.2-100158.6000110.3
518A29.4Very low29.3Very low107 Ų107131.6 Ų131.688%0.88477%0.768SS**  trans-134.9123.8157.700000109.2
519G31.2Very low30.3Very low72 Ų72126.6 Ų126.674%0.74274%0.744SS**  trans127.171.9176.400000114.1
520T30Very low31.5Very low114 Ų114121.5 Ų121.570%0.69972%0.72SS**  trans-77.2160.9175.853.60000112.9
521P29.1Very low32.8Very low126 Ų126119.1 Ų119.182%0.81869%0.691SS**SBend-122.8128101.633.9-28.2000111.9
522R27.1Very low34.2Very low251 Ų251115 Ų11595%0.94766%0.659SS**SBendtrans46.377.5167-68.3-179.9171.7162.7-2117
523G28Very low35.7Very low55 Ų55113.7 Ų113.757%0.56763%0.632SS**  trans-137.2122.8163.100000111Q525G523-Q525 PolarHBondContact O-N 2.96Å
524T31.5Very low37.1Very low107 Ų107110.1 Ų110.166%0.65661%0.613SS**  trans-52.6115.5176.335.70000111.8C526T524-C526 PolarHBondContact O-N 3.12Å
525Q28.1Very low38.8Very low134 Ų134101.2 Ų101.263%0.62657%0.574SS**  trans-71.8124.2166-70.4178.5-4.900108.7G523G523-Q525 PolarHBondContact O-N 2.96Å
526C33.2Very low40.3Very low86 Ų8698.5 Ų98.558%0.58155%0.547SS*.  trans-112.1112.8173.5-71.60000110T524T524-C526 PolarHBondContact O-N 3.12Å
527F36.2Very low41.9Very low172 Ų17296.7 Ų96.775%0.75453%0.525SS*.  trans-74.5137166.7-68.9-86.4000110.1T529F527-T529 PolarHBondContact O-N 3.39Å
528R38.7Very low43.7Very low223 Ų22394.6 Ų94.684%0.84251%0.513SS*.  trans-59.2112.6168.9-171.7179.4-173.3-174.31.2107.4P530R528-P530 VanDerWaalsContact O-CD 3.25Å; R528-P530 WeakPolarHBondContact O-CD 3.46Å; R528-P530 VanDerWaalsContact O-N 3.17Å
529T47.1Very low45.5Very low40 Ų4090.2 Ų90.225%0.24548%0.475CS..  trans-62.2118.4179.2-57.40000109F527 I533 R534F527-T529 PolarHBondContact O-N 3.39Å; T529-I533 HydrophobicContact CG2-CB 3.51Å; T529-I533 HydrophobicContact CG2-CG2 3.37Å; T529-R534 HydrophobicContact CG2-CG 4.03Å; T529-R534 PolarHBondContact O-NE 2.98Å; T529-R534 PolarHBondContact O-NH2 3.19Å
530P50.6Low47.2Very low58 Ų5887.2 Ų87.238%0.37744%0.443SS..  trans-56.5150179.5-25.936.5000111.4R528 I532 I533 R534R528-P530 VanDerWaalsContact O-CD 3.25Å; R528-P530 WeakPolarHBondContact O-CD 3.46Å; R528-P530 VanDerWaalsContact O-N 3.17Å; P530-I532 HydrophobicContact CB-CG2 3.96Å; P530-I532 PolarHBondContact O-N 3.36Å; P530-I532 VanDerWaalsContact O-N 3.14Å; P530-I533 PolarHBondContact O-N 3.34Å; P530-R534 PolarHBondContact O-N 3.39Å; P530-R534 VanDerWaalsContact O-N 3.12Å
531S53.3Low48.8Very low24 Ų2484.9 Ų84.917%0.16843%0.429CS..Hα-helixtrans-51.5-38179.9-48.70000111.7I533 R534 L535 E765S531-I533 PolarHBondContact O-N 3.44Å; S531-R534 WeakPolarHBondContact O-CB 3.37Å; S531-R534 PolarHBondContact O-N 3.44Å; S531-R534 VanDerWaalsContact O-N 3.15Å; S531-L535 PolarHBondContact O-N 3.07Å; S531-E765 VanDerWaalsContact CB-OE1 3.23Å; S531-E765 WeakPolarHBondContact CB-OE1 3.12Å; S531-E765 PolarHBondContact OG-OE1 2.91Å
532I55.3Low50.4Low45 Ų4586 Ų8623%0.23143%0.428CS..Hα-helixtrans-61.7-39.3176.4-166.7163.3000113.5P530 L535 A536 Y592 L595 F764P530-I532 HydrophobicContact CB-CG2 3.96Å; P530-I532 PolarHBondContact O-N 3.36Å; P530-I532 VanDerWaalsContact O-N 3.14Å; I532-L535 PolarHBondContact O-N 3.13Å; I532-A536 WeakPolarHBondContact O-CB 3.47Å; I532-A536 PolarHBondContact O-N 3.36Å; I532-Y592 HydrophobicContact CD1-CD2 4.5Å; I532-L595 HydrophobicContact CD1-CD1 4.43Å; I532-L595 HydrophobicContact CG1-CD1 4.18Å; I532-F764 HydrophobicContact CB-CD1 4.11Å; I532-F764 HydrophobicContact CB-CE1 3.68Å; I532-F764 HydrophobicContact CB-CZ 4.23Å; I532-F764 HydrophobicContact CD1-CD1 4.18Å; I532-F764 HydrophobicContact CD1-CD2 4.16Å; I532-F764 HydrophobicContact CD1-CE1 3.79Å; I532-F764 HydrophobicContact CD1-CE2 3.77Å; I532-F764 HydrophobicContact CD1-CG 4.35Å; I532-F764 HydrophobicContact CD1-CZ 3.56Å; I532-F764 HydrophobicContact CG1-CD1 4.29Å; I532-F764 HydrophobicContact CG1-CE1 3.57Å; I532-F764 HydrophobicContact CG1-CE2 4.31Å; I532-F764 HydrophobicContact CG1-CZ 3.58Å
533I56.6Low52.1Low52 Ų5276.9 Ų76.927%0.26740%0.398SS..Hα-helixtrans-74.2-30.8176.3-63.4-167.1000110.7T529 P530 S531 R537 V544T529-I533 HydrophobicContact CG2-CB 3.51Å; T529-I533 HydrophobicContact CG2-CG2 3.37Å; P530-I533 PolarHBondContact O-N 3.34Å; S531-I533 PolarHBondContact O-N 3.44Å; I533-R537 VanDerWaalsContact O-CG 3.27Å; I533-R537 WeakPolarHBondContact O-CG 3.27Å; I533-R537 PolarHBondContact O-N 2.89Å; I533-V544 HydrophobicContact CG2-CG1 4.46Å
534R58.9Low53.4Low116 Ų11675.1 Ų75.144%0.43838%0.376SS..Hα-helixtrans-66.1-44.8172.2-77.2-176.4-94.5151.11.7111.5T529 P530 S531 R537 I538T529-R534 HydrophobicContact CG2-CG 4.03Å; T529-R534 PolarHBondContact O-NE 2.98Å; T529-R534 PolarHBondContact O-NH2 3.19Å; P530-R534 PolarHBondContact O-N 3.39Å; P530-R534 VanDerWaalsContact O-N 3.12Å; S531-R534 WeakPolarHBondContact O-CB 3.37Å; S531-R534 PolarHBondContact O-N 3.44Å; S531-R534 VanDerWaalsContact O-N 3.15Å; R534-R537 PolarHBondContact O-N 3.48Å; R534-I538 WeakPolarHBondContact O-CG1 3.37Å; R534-I538 PolarHBondContact O-N 3.44Å
535L61.2Low54.6Low15 Ų1574.2 Ų74.28%0.07937%0.365CS..Hα-helixtrans-63.7-43.1173.6-84.4156.9000111.8S531 I532 R537 I538 L539 L613 F764 L768S531-L535 PolarHBondContact O-N 3.07Å; I532-L535 PolarHBondContact O-N 3.13Å; L535-R537 VanDerWaalsContact C-N 3.33Å; L535-R537 PolarHBondContact O-N 2.79Å; L535-I538 WeakPolarHBondContact O-CA 3.38Å; L535-I538 WeakPolarHBondContact O-CB 3.33Å; L535-I538 PolarHBondContact O-N 3.02Å; L535-L539 HydrophobicContact CD2-CD1 4.21Å; L535-L539 WeakPolarHBondContact O-CB 3.22Å; L535-L539 PolarHBondContact O-N 3.2Å; L535-L613 HydrophobicContact CD2-CD2 4.09Å; L535-L613 HydrophobicContact CG-CD2 4.43Å; L535-F764 HydrophobicContact CD1-CE1 4.12Å; L535-L768 HydrophobicContact CD1-CD1 3.82Å; L535-L768 HydrophobicContact CD1-CD2 3.86Å; L535-L768 HydrophobicContact CD1-CG 4.49Å; L535-L768 HydrophobicContact CD2-CD2 3.98Å
536A62.4Low55.6Low4 Ų470.7 Ų70.73%0.03335%0.353CS..Hα-helixtrans-61-3817700000113.2I532 I538 C540 V544 L595I532-A536 WeakPolarHBondContact O-CB 3.47Å; I532-A536 PolarHBondContact O-N 3.36Å; A536-I538 PolarHBondContact O-N 3.25Å; A536-C540 CarbonylContact O-C 3.22Å; A536-C540 VanDerWaalsContact O-C 3.22Å; A536-C540 VanDerWaalsContact O-CA 3.31Å; A536-C540 WeakPolarHBondContact O-CA 3.15Å; A536-C540 PolarHBondContact O-N 2.86Å; A536-V544 HydrophobicContact CB-CB 4.49Å; A536-V544 HydrophobicContact CB-CG2 3.64Å; A536-L595 HydrophobicContact CB-CD1 4.18Å; A536-L595 HydrophobicContact CB-CD2 3.33Å; A536-L595 HydrophobicContact CB-CG 4.42Å
537R64.1Low56.3Low95 Ų9573.1 Ų73.136%0.35836%0.36SS..Hα-helixtrans-65.3-24.7173.7-74.9173.8-173.4163.95.4113I533 R534 L535 V544 P546I533-R537 VanDerWaalsContact O-CG 3.27Å; I533-R537 WeakPolarHBondContact O-CG 3.27Å; I533-R537 PolarHBondContact O-N 2.89Å; R534-R537 PolarHBondContact O-N 3.48Å; L535-R537 VanDerWaalsContact C-N 3.33Å; L535-R537 PolarHBondContact O-N 2.79Å; R537-V544 HydrophobicContact CG-CB 4.46Å; R537-V544 HydrophobicContact CG-CG1 3.75Å; R537-P546 HydrophobicContact CG-CG 4.49Å
538I65.4Low56.9Low90 Ų9071.3 Ų71.346%0.46235%0.348SS..Hα-helixtrans-88-48.1180-65.3166.2000110.5R534 L535 A536 L612R534-I538 WeakPolarHBondContact O-CG1 3.37Å; R534-I538 PolarHBondContact O-N 3.44Å; L535-I538 WeakPolarHBondContact O-CA 3.38Å; L535-I538 WeakPolarHBondContact O-CB 3.33Å; L535-I538 PolarHBondContact O-N 3.02Å; A536-I538 PolarHBondContact O-N 3.25Å; I538-L612 HydrophobicContact CG2-CD2 4.21Å
539L66.6Low57.3Low16 Ų1663.5 Ų63.58%0.08432%0.323CS..Hα-helixtrans-84.6-36-172.9-66169.8000112.2L535 P541 A599 I602 I603 L612L535-L539 HydrophobicContact CD2-CD1 4.21Å; L535-L539 WeakPolarHBondContact O-CB 3.22Å; L535-L539 PolarHBondContact O-N 3.2Å; L539-P541 VanDerWaalsContact C-CD 3.49Å; L539-P541 WeakPolarHBondContact O-CD 3.34Å; L539-A599 HydrophobicContact CB-CB 4.43Å; L539-A599 HydrophobicContact CD1-CB 4.05Å; L539-I602 HydrophobicContact CD2-CG2 3.88Å; L539-I602 WeakPolarHBondContact O-CD1 3.39Å; L539-I603 HydrophobicContact CD1-CD1 4.37Å; L539-I603 HydrophobicContact CD1-CG1 4.49Å; L539-I603 HydrophobicContact CD2-CG1 4.5Å; L539-L612 HydrophobicContact CD2-CD1 3.54Å; L539-L612 HydrophobicContact CG-CD1 4.45Å
540C68.7Low57.3Low9 Ų965.5 Ų65.56%0.06134%0.343CS..  trans-132.458.6-168.2-61.70000111.9A536 N542 L543 V544 L595A536-C540 CarbonylContact O-C 3.22Å; A536-C540 VanDerWaalsContact O-C 3.22Å; A536-C540 VanDerWaalsContact O-CA 3.31Å; A536-C540 WeakPolarHBondContact O-CA 3.15Å; A536-C540 PolarHBondContact O-N 2.86Å; C540-N542 PolarHBondContact O-N 3.28Å; C540-N542 VanDerWaalsContact O-N 3.1Å; C540-L543 HydrophobicContact CB-CB 4.04Å; C540-L543 HydrophobicContact CB-CD1 3.78Å; C540-L543 HydrophobicContact CB-CG 4.44Å; C540-L543 PolarHBondContact O-N 2.87Å; C540-V544 PolarHBondContact O-N 2.98Å; C540-V544 VanDerWaalsContact O-N 3.09Å; C540-L595 HydrophobicContact CB-CD2 4.46Å
541P61.9Low56.9Low65 Ų6572.2 Ų72.242%0.42236%0.361SS..THydrogen-bonded Turntrans-60.7-25.2-174.725.5-34.9000113.6L539 V544L539-P541 VanDerWaalsContact C-CD 3.49Å; L539-P541 WeakPolarHBondContact O-CD 3.34Å; P541-V544 CarbonylContact O-C 3.59Å
542N63.5Low56.5Low148 Ų14877.8 Ų77.879%0.79138%0.384SS*.THydrogen-bonded Turntrans-75.5-28.9177.4-62.3-18.7000112.8C540C540-N542 PolarHBondContact O-N 3.28Å; C540-N542 VanDerWaalsContact O-N 3.1Å
543L62.1Low55.7Low60 Ų6080.7 Ų80.731%0.31441%0.406SS..THydrogen-bonded Turntrans-83.8-35.6177.2-77.1156.1000111.3C540 I559 T594 A598C540-L543 HydrophobicContact CB-CB 4.04Å; C540-L543 HydrophobicContact CB-CD1 3.78Å; C540-L543 HydrophobicContact CB-CG 4.44Å; C540-L543 PolarHBondContact O-N 2.87Å; L543-I559 HydrophobicContact CD2-CD1 4.48Å; L543-I559 WeakPolarHBondContact O-CD1 3.36Å; L543-T594 HydrophobicContact CD2-CG2 4.46Å; L543-A598 HydrophobicContact CD1-CB 3.26Å
544V55.3Low54.9Low19 Ų1982.2 Ų82.212%0.11543%0.434CS..SBendtrans-113.380.8-179.5-174.70000108.9I533 A536 R537 C540 P541 P546 L549I533-V544 HydrophobicContact CG2-CG1 4.46Å; A536-V544 HydrophobicContact CB-CB 4.49Å; A536-V544 HydrophobicContact CB-CG2 3.64Å; R537-V544 HydrophobicContact CG-CB 4.46Å; R537-V544 HydrophobicContact CG-CG1 3.75Å; C540-V544 PolarHBondContact O-N 2.98Å; C540-V544 VanDerWaalsContact O-N 3.09Å; P541-V544 CarbonylContact O-C 3.59Å; V544-P546 WeakPolarHBondContact O-CD 3.24Å; V544-P546 VanDerWaalsContact O-CG 3.22Å; V544-P546 WeakPolarHBondContact O-CG 3.48Å; V544-L549 HydrophobicContact CB-CD1 4.47Å; V544-L549 HydrophobicContact CG1-CD1 3.42Å; V544-L549 VanDerWaalsContact CG1-CD1 3.42Å
545Q56.5Low53.9Low88 Ų8878.7 Ų78.741%0.41144%0.435SS..  trans-6395.6179.9-67-176.61.400110.9L547 R548 L549Q545-L547 VanDerWaalsContact C-N 3.28Å; Q545-L547 PolarHBondContact O-N 3.42Å; Q545-R548 HydrophobicContact CB-CB 4.13Å; Q545-R548 PolarHBondContact O-N 3.18Å; Q545-R548 VanDerWaalsContact O-N 3.12Å; Q545-R548 VanDerWaalsContact OE1-CD 3.26Å; Q545-L549 PolarHBondContact O-N 3.21Å; Q545-L549 VanDerWaalsContact O-N 3.12Å
546P50.4Low53Low60 Ų6083.1 Ų83.139%0.3946%0.462SS..Hα-helixtrans-69.2-30.5-164-15.430.7000112R537 V544 A550R537-P546 HydrophobicContact CG-CG 4.49Å; V544-P546 WeakPolarHBondContact O-CD 3.24Å; V544-P546 VanDerWaalsContact O-CG 3.22Å; V544-P546 WeakPolarHBondContact O-CG 3.48Å; P546-A550 VanDerWaalsContact O-CB 3.27Å; P546-A550 WeakPolarHBondContact O-CB 3.45Å; P546-A550 PolarHBondContact O-N 2.93Å
547L46.8Very low52Low137 Ų13784.8 Ų84.872%0.71747%0.472SS*.Hα-helixtrans-70.8-31.5177.6-75.6163.6000112.9Q545 R551Q545-L547 VanDerWaalsContact C-N 3.28Å; Q545-L547 PolarHBondContact O-N 3.42Å; L547-R551 WeakPolarHBondContact O-CG 3.35Å
548R48.5Very low51Low133 Ų13386.6 Ų86.650%0.50249%0.485SS..Hα-helixtrans-77.2-45.4174.8-100.5-164.2-178.1161-28.8111.3Q545 A550 R551 H552 E558Q545-R548 HydrophobicContact CB-CB 4.13Å; Q545-R548 PolarHBondContact O-N 3.18Å; Q545-R548 VanDerWaalsContact O-N 3.12Å; Q545-R548 VanDerWaalsContact OE1-CD 3.26Å; R548-A550 VanDerWaalsContact C-N 3.29Å; R548-A550 PolarHBondContact O-N 3.05Å; R548-R551 PolarHBondContact O-N 3.12Å; R548-H552 PolarHBondContact O-N 3.37Å; R548-H552 VanDerWaalsContact O-N 3.14Å; R548-E558 IonicContact CZ-OE2 3.3Å; R548-E558 IonicContact NH1-OE2 2.77Å; R548-E558 PolarHBondContact NH1-OE2 3.11Å; R548-E558 IonicContact NH2-OE1 3.85Å; R548-E558 IonicContact NH2-OE2 2.9Å; R548-E558 PolarHBondContact NH2-OE2 2.95Å
549L48.9Very low49.8Very low59 Ų5986 Ų8631%0.30948%0.482SS..Hα-helixtrans-64.8-30.5178.6-77.4155.9000113.2V544 Q545 R551V544-L549 HydrophobicContact CB-CD1 4.47Å; V544-L549 HydrophobicContact CG1-CD1 3.42Å; V544-L549 VanDerWaalsContact CG1-CD1 3.42Å; Q545-L549 PolarHBondContact O-N 3.21Å; Q545-L549 VanDerWaalsContact O-N 3.12Å; L549-R551 VanDerWaalsContact C-N 3.29Å
550A45.6Very low48.3Very low83 Ų8388.4 Ų88.469%0.68649%0.492SS*.THydrogen-bonded Turntrans-71.7-21.8173.500000113.4P546 R548P546-A550 VanDerWaalsContact O-CB 3.27Å; P546-A550 WeakPolarHBondContact O-CB 3.45Å; P546-A550 PolarHBondContact O-N 2.93Å; R548-A550 VanDerWaalsContact C-N 3.29Å; R548-A550 PolarHBondContact O-N 3.05Å
551R43.9Very low46.6Very low199 Ų19992 Ų9275%0.75152%0.517SS*.THydrogen-bonded Turntrans-94.1-21179.7-70178.9-177.8-169.51.2112.9L547 R548 L549L547-R551 WeakPolarHBondContact O-CG 3.35Å; R548-R551 PolarHBondContact O-N 3.12Å; L549-R551 VanDerWaalsContact C-N 3.29Å
552H43.2Very low44.9Very low141 Ų14194.6 Ų94.665%0.65354%0.537SS*.  trans-132.479.7179.4-69.43.3000111.4R548 G554 G555R548-H552 PolarHBondContact O-N 3.37Å; R548-H552 VanDerWaalsContact O-N 3.14Å; H552-G554 PolarHBondContact O-N 3.12Å; H552-G555 PolarHBondContact O-N 3.22Å
553P40.1Very low43.3Very low106 Ų10696.2 Ų96.269%0.68854%0.537SS*.THydrogen-bonded Turntrans-70.7102.1173.728.5-29.4000108.9
554G39.7Very low41.7Very low83 Ų83102.3 Ų102.386%0.85656%0.564SS**THydrogen-bonded Turntrans129.6-6.3179.100000115.6H552H552-G554 PolarHBondContact O-N 3.12Å
555G38Very low40.5Very low43 Ų43111 Ų11144%0.44360%0.603SS.*PPolyproline II helixtrans-76128.3174.100000111.9H552H552-G555 PolarHBondContact O-N 3.22Å
556V42Very low39.1Very low107 Ų107113.9 Ų113.965%0.64862%0.62SS**PPolyproline II helixtrans-55.4129.9162.4179.70000107.4E558 F560V556-E558 PolarHBondContact O-N 3.46Å; V556-F560 HydrophobicContact CG1-CB 4Å; V556-F560 HydrophobicContact CG1-CD2 3.76Å; V556-F560 HydrophobicContact CG1-CG 4.22Å
557P41.8Very low37.9Very low39 Ų39119.3 Ų119.325%0.25364%0.64SS.*PPolyproline II helixtrans-53.8136.9176.4-23.332.3000110.6I559 F560P557-I559 HydrophobicContact CB-CB 4.27Å; P557-I559 HydrophobicContact CB-CD1 3.77Å; P557-I559 HydrophobicContact CB-CG1 3.74Å; P557-I559 PolarHBondContact O-N 2.82Å; P557-F560 PolarHBondContact O-N 2.8Å; P557-F560 VanDerWaalsContact O-N 3.09Å
558E41.4Very low37Very low133 Ų133121.5 Ų121.562%0.62165%0.646SS**G310 helixtrans-55.6-3.9173.6-92.7-179.216600114.1R548 V556 F560 S561R548-E558 IonicContact CZ-OE2 3.3Å; R548-E558 IonicContact NH1-OE2 2.77Å; R548-E558 PolarHBondContact NH1-OE2 3.11Å; R548-E558 IonicContact NH2-OE1 3.85Å; R548-E558 IonicContact NH2-OE2 2.9Å; R548-E558 PolarHBondContact NH2-OE2 2.95Å; V556-E558 PolarHBondContact O-N 3.46Å; E558-F560 PolarHBondContact O-N 2.84Å; E558-F560 VanDerWaalsContact O-N 3.12Å; E558-S561 PolarHBondContact O-N 3.46Å
559I41.6Very low36Very low79 Ų79123.1 Ų123.141%0.40566%0.659SS.*G310 helixtrans-56.8-19.8167.8-43.9172.4000111.5L543 P557L543-I559 HydrophobicContact CD2-CD1 4.48Å; L543-I559 WeakPolarHBondContact O-CD1 3.36Å; P557-I559 HydrophobicContact CB-CB 4.27Å; P557-I559 HydrophobicContact CB-CD1 3.77Å; P557-I559 HydrophobicContact CB-CG1 3.74Å; P557-I559 PolarHBondContact O-N 2.82Å
560F35.4Very low35Very low66 Ų66125.9 Ų125.929%0.28968%0.683SS.*G310 helixtrans-110.410.2-177-62.4-73.6000114.9V556 P557 E558 S562 L590 M591V556-F560 HydrophobicContact CG1-CB 4Å; V556-F560 HydrophobicContact CG1-CD2 3.76Å; V556-F560 HydrophobicContact CG1-CG 4.22Å; P557-F560 PolarHBondContact O-N 2.8Å; P557-F560 VanDerWaalsContact O-N 3.09Å; E558-F560 PolarHBondContact O-N 2.84Å; E558-F560 VanDerWaalsContact O-N 3.12Å; F560-S562 PolarHBondContact O-N 3.29Å; F560-L590 HydrophobicContact CD1-CD2 4.31Å; F560-L590 HydrophobicContact CE1-CB 4.48Å; F560-L590 HydrophobicContact CE1-CD2 3.62Å; F560-L590 HydrophobicContact CE1-CG 3.94Å; F560-M591 HydrophobicContact CE2-CG 3.98Å; F560-M591 HydrophobicContact CZ-CG 3.86Å
561S31.4Very low34.1Very low84 Ų84131.5 Ų131.559%0.58769%0.692SS**  trans-84.8111.7175-171.30000110.2E558 K563E558-S561 PolarHBondContact O-N 3.46Å; S561-K563 VanDerWaalsContact C-N 3.26Å; S561-K563 PolarHBondContact O-N 3.42Å
562S27.9Very low33.3Very low120 Ų120127.6 Ų127.684%0.83969%0.694SS**SBendtrans-62.174.3177.8-46.80000113F560F560-S562 PolarHBondContact O-N 3.29Å
563K29.2Very low32.6Very low181 Ų181128.2 Ų128.279%0.78770%0.703SS**  trans-149.563.3166.5-74.6-167.6177.9177.70110.4S561S561-K563 VanDerWaalsContact C-N 3.26Å; S561-K563 PolarHBondContact O-N 3.42Å
564Q28.3Very low31.9Very low189 Ų189132.6 Ų132.688%0.88371%0.714SS**SBendtrans16679.3154.5-94.2164.422.100110.1
565Q29.9Very low31.4Very low200 Ų200133.3 Ų133.394%0.93571%0.706SS**  trans175.9131.5142-99.7168.8-0.700109
566I26.5Very low30.8Very low150 Ų150138.2 Ų138.277%0.76972%0.722SS**  trans-103.2150.4-168.3-76.8166.7000108.6
567Q25Very low30.1Very low174 Ų174141.3 Ų141.381%0.81373%0.734SS**  trans81.493.1164.7-74.2157.932.500119.3
568H29.2Very low29.3Very low182 Ų182145.9 Ų145.984%0.84376%0.761SS**  -176.2148.9110.3-115.1-86.6000112.1
569E26.7Very low28.6Very low167 Ų167143 Ų14378%0.7877%0.767SS**  trans-74143.8-163.4-61.5159.2131.300116.3
570S28.5Very low27.9Very low117 Ų117145.9 Ų145.982%0.81879%0.788SS**  149.6122.9115.261.80000114.8
571K25.9Very low27.7Very low201 Ų201149.8 Ų149.887%0.87481%0.812SS**  trans24116.7155.4-78.9175.9171.5176.40120.4
572C27.5Very low27.9Very low118 Ų118152.4 Ų152.480%0.79782%0.82SS**  177.8118.4111.1-96.30000112.6
573D28.2Very low28.7Very low154 Ų154151.4 Ų151.482%0.82480%0.804SS**  trans35.4106.9149.7-53.9-28.6000121.8
574E25.6Very low29.8Very low198 Ų198145.4 Ų145.493%0.92579%0.786SS**  trans-71.5114.6158-77.9-178.8134.900110.9
575S28.6Very low30.7Very low98 Ų98143 Ų14369%0.68577%0.774SS**  trans-152137.2148.453.60000110.5
576N27.2Very low31.7Very low146 Ų146137.8 Ų137.878%0.78176%0.76SS**  trans88.368.1168.9-51.3-27.8000117.8T578N576-T578 PolarHBondContact O-N 3.14Å
577L26Very low33Very low171 Ų171134 Ų13490%0.89574%0.741SS**  trans-80.490.3149.3-92.689.9000109.9
578T25.8Very low34.3Very low136 Ų136129.4 Ų129.483%0.83472%0.72SS**  trans-159.5131.615249.30000108N576N576-T578 PolarHBondContact O-N 3.14Å
579G26.6Very low35.6Very low72 Ų72126.5 Ų126.574%0.74271%0.709SS**  trans123.6116.5166.100000114.9D581G579-D581 PolarHBondContact O-N 2.8Å; G579-D581 VanDerWaalsContact O-N 3.12Å
580T27.1Very low37.3Very low139 Ų139122.8 Ų122.885%0.85369%0.694SS**  trans-61.996.6171.347.70000110.9
581D30.5Very low38.7Very low149 Ų149119.3 Ų119.380%0.79767%0.665SS**  trans-143.2145.7168.1-88.6-43.8000114.1G579G579-D581 PolarHBondContact O-N 2.8Å; G579-D581 VanDerWaalsContact O-N 3.12Å
582N36.6Very low40.4Very low139 Ų139112.6 Ų112.674%0.74364%0.635SS**  trans-45.9152.3-164.9-59.6-71.2000117.4S584N582-S584 PolarHBondContact O-N 2.77Å
583L44.2Very low42.3Very low98 Ų98109.3 Ų109.351%0.51362%0.616SS.*  trans-44.7114.4171.6-82.195.7000111.2M591L583-M591 HydrophobicContact CD2-CE 3.45Å; L583-M591 VanDerWaalsContact CD2-CE 3.45Å
584S51.3Low44.1Very low56 Ų56104.4 Ų104.439%0.39259%0.592SS.*  trans-62.6155.6172.172.60000111.2N582 S586 N587 M588N582-S584 PolarHBondContact O-N 2.77Å; S584-S586 PolarHBondContact O-N 3.24Å; S584-N587 WeakPolarHBondContact O-CB 3.43Å; S584-N587 PolarHBondContact O-N 3.46Å; S584-N587 PolarHBondContact OG-N 3.35Å; S584-N587 PolarHBondContact OG-ND2 2.69Å; S584-M588 PolarHBondContact O-N 3Å
585E47.9Very low46Very low139 Ų13996.4 Ų96.465%0.6556%0.555SS**Hα-helixtrans-55.5-38.1176-170173.6175.200112.3N587 M588 M589E585-N587 VanDerWaalsContact C-N 3.33Å; E585-N587 PolarHBondContact O-N 3.42Å; E585-M588 PolarHBondContact O-N 2.75Å; E585-M589 PolarHBondContact O-N 2.84Å
586S51.4Low47.8Very low89 Ų8996.4 Ų96.462%0.62254%0.543SS*.Hα-helixtrans-58.2-40.3171.5-78.80000113.1S584 M588 M589 L590S584-S586 PolarHBondContact O-N 3.24Å; S586-M588 VanDerWaalsContact C-N 3.33Å; S586-M588 PolarHBondContact O-N 3.29Å; S586-M589 PolarHBondContact O-N 2.91Å; S586-L590 WeakPolarHBondContact O-CB 3.46Å; S586-L590 PolarHBondContact O-N 2.68Å
587N52.5Low50Low70 Ų7092.8 Ų92.837%0.37453%0.534SS..Hα-helixtrans-70-31.3179.3-70.3-16.7000111.9S584 E585 M591S584-N587 WeakPolarHBondContact O-CB 3.43Å; S584-N587 PolarHBondContact O-N 3.46Å; S584-N587 PolarHBondContact OG-N 3.35Å; S584-N587 PolarHBondContact OG-ND2 2.69Å; E585-N587 VanDerWaalsContact C-N 3.33Å; E585-N587 PolarHBondContact O-N 3.42Å; N587-M591 WeakPolarHBondContact O-CB 3.08Å; N587-M591 PolarHBondContact O-N 2.8Å; N587-M591 VanDerWaalsContact O-N 3.08Å
588M54.1Low52Low78 Ų7886 Ų8638%0.38450%0.502SS..Hα-helixtrans-70.6-42.5171.3-84.6-162.1-60.400112.5S584 E585 S586 L590 M591 Y592S584-M588 PolarHBondContact O-N 3Å; E585-M588 PolarHBondContact O-N 2.75Å; S586-M588 VanDerWaalsContact C-N 3.33Å; S586-M588 PolarHBondContact O-N 3.29Å; M588-L590 VanDerWaalsContact C-N 3.35Å; M588-M591 HydrophobicContact CG-CE 4.38Å; M588-M591 PolarHBondContact O-N 3.38Å; M588-Y592 WeakPolarHBondContact O-CB 3.35Å; M588-Y592 PolarHBondContact O-N 3.09Å
589M56.3Low54Low121 Ų12180 Ų8060%0.59647%0.467SS*.Hα-helixtrans-63.1-40.1176.3-93.8-68.5-168.600112.2E585 S586 Y592 A593E585-M589 PolarHBondContact O-N 2.84Å; S586-M589 PolarHBondContact O-N 2.91Å; M589-Y592 WeakPolarHBondContact O-CB 3.26Å; M589-Y592 PolarHBondContact O-N 3.14Å; M589-Y592 HydrophobicContact SD-CD1 4.34Å; M589-A593 PolarHBondContact O-N 3.25Å
590L60.7Low56Low90 Ų9082.1 Ų82.147%0.47146%0.457SS..Hα-helixtrans-68.3-43176.6-170.356.5000111.5F560 S586 M588 Y592 A593 T594F560-L590 HydrophobicContact CD1-CD2 4.31Å; F560-L590 HydrophobicContact CE1-CB 4.48Å; F560-L590 HydrophobicContact CE1-CD2 3.62Å; F560-L590 HydrophobicContact CE1-CG 3.94Å; S586-L590 WeakPolarHBondContact O-CB 3.46Å; S586-L590 PolarHBondContact O-N 2.68Å; M588-L590 VanDerWaalsContact C-N 3.35Å; L590-Y592 VanDerWaalsContact C-N 3.29Å; L590-Y592 PolarHBondContact O-N 3.08Å; L590-A593 PolarHBondContact O-N 3.08Å; L590-T594 PolarHBondContact O-N 3.35Å; L590-T594 PolarHBondContact O-OG1 2.7Å
591M59.3Low58Low43 Ų4378.5 Ų78.521%0.21244%0.436CS..Hα-helixtrans-56.8-42169.9-88.9-158.7-62.400112.3F560 L583 N587 M588 L595F560-M591 HydrophobicContact CE2-CG 3.98Å; F560-M591 HydrophobicContact CZ-CG 3.86Å; L583-M591 HydrophobicContact CD2-CE 3.45Å; L583-M591 VanDerWaalsContact CD2-CE 3.45Å; N587-M591 WeakPolarHBondContact O-CB 3.08Å; N587-M591 PolarHBondContact O-N 2.8Å; N587-M591 VanDerWaalsContact O-N 3.08Å; M588-M591 HydrophobicContact CG-CE 4.38Å; M588-M591 PolarHBondContact O-N 3.38Å; M591-L595 VanDerWaalsContact O-CB 3.27Å; M591-L595 WeakPolarHBondContact O-CB 3.38Å; M591-L595 WeakPolarHBondContact O-CD1 3.4Å; M591-L595 WeakPolarHBondContact O-CG 3.5Å; M591-L595 PolarHBondContact O-N 2.91Å
592Y61.6Low59.9Low60 Ų6074.7 Ų74.724%0.23542%0.415CS..Hα-helixtrans-61.1-48.3177.4166.7-99.7000111.5I532 M588 M589 L590 T594 L595 K596 F764 E767I532-Y592 HydrophobicContact CD1-CD2 4.5Å; M588-Y592 WeakPolarHBondContact O-CB 3.35Å; M588-Y592 PolarHBondContact O-N 3.09Å; M589-Y592 WeakPolarHBondContact O-CB 3.26Å; M589-Y592 PolarHBondContact O-N 3.14Å; M589-Y592 HydrophobicContact SD-CD1 4.34Å; L590-Y592 VanDerWaalsContact C-N 3.29Å; L590-Y592 PolarHBondContact O-N 3.08Å; Y592-T594 PolarHBondContact O-N 2.76Å; Y592-L595 PolarHBondContact O-N 3.13Å; Y592-K596 HydrophobicContact CE1-CD 4.18Å; Y592-K596 HydrophobicContact CE2-CD 4.48Å; Y592-K596 VanDerWaalsContact O-CB 3.24Å; Y592-K596 WeakPolarHBondContact O-CB 3.31Å; Y592-K596 PolarHBondContact O-N 3.08Å; Y592-K596 PolarHBondContact OH-NZ 2.82Å; Y592-F764 AromaticContact CD2-CD2 3.77Å; Y592-F764 HydrophobicContact CD2-CD2 3.77Å; Y592-F764 AromaticContact CD2-CE2 3.79Å; Y592-F764 HydrophobicContact CD2-CE2 3.79Å; Y592-F764 AromaticContact CE2-CD2 3.52Å; Y592-F764 HydrophobicContact CE2-CD2 3.52Å; Y592-F764 AromaticContact CE2-CE2 3.68Å; Y592-F764 HydrophobicContact CE2-CE2 3.68Å; Y592-E767 PolarHBondContact OH-OE2 3.42Å
593A66.3Low61.3Low50 Ų5071 Ų7141%0.41340%0.395SS..Hα-helixtrans-61.3-44.6179.300000112.3M589 L590 K596 A597M589-A593 PolarHBondContact O-N 3.25Å; L590-A593 PolarHBondContact O-N 3.08Å; A593-K596 PolarHBondContact O-N 3.22Å; A593-A597 WeakPolarHBondContact O-CB 3.38Å; A593-A597 PolarHBondContact O-N 2.85Å
594T66.7Low62.4Low51 Ų5170.9 Ų70.931%0.31340%0.402SS..Hα-helixtrans-66.6-42.1178.5-49.70000112.2L543 L590 Y592 A598L543-T594 HydrophobicContact CD2-CG2 4.46Å; L590-T594 PolarHBondContact O-N 3.35Å; L590-T594 PolarHBondContact O-OG1 2.7Å; Y592-T594 PolarHBondContact O-N 2.76Å; T594-A598 WeakPolarHBondContact O-CB 3.42Å; T594-A598 PolarHBondContact O-N 3.23Å
595L65Low63.3Low29 Ų2978.2 Ų78.215%0.15242%0.421CS..Hα-helixtrans-66.9-40.3177.6-82.4162.8000112.2I532 A536 C540 M591 Y592 A598 A599I532-L595 HydrophobicContact CD1-CD1 4.43Å; I532-L595 HydrophobicContact CG1-CD1 4.18Å; A536-L595 HydrophobicContact CB-CD1 4.18Å; A536-L595 HydrophobicContact CB-CD2 3.33Å; A536-L595 HydrophobicContact CB-CG 4.42Å; C540-L595 HydrophobicContact CB-CD2 4.46Å; M591-L595 VanDerWaalsContact O-CB 3.27Å; M591-L595 WeakPolarHBondContact O-CB 3.38Å; M591-L595 WeakPolarHBondContact O-CD1 3.4Å; M591-L595 WeakPolarHBondContact O-CG 3.5Å; M591-L595 PolarHBondContact O-N 2.91Å; Y592-L595 PolarHBondContact O-N 3.13Å; L595-A598 PolarHBondContact O-N 3.18Å; L595-A599 WeakPolarHBondContact O-CB 3.09Å; L595-A599 PolarHBondContact O-N 3.17Å
596K67.5Low64.2Low98 Ų9874.1 Ų74.143%0.42640%0.403SS..Hα-helixtrans-62-50.7175.9-172.7173.2-172.4168.20111Y592 A593 A598 A599 Q600Y592-K596 HydrophobicContact CE1-CD 4.18Å; Y592-K596 HydrophobicContact CE2-CD 4.48Å; Y592-K596 VanDerWaalsContact O-CB 3.24Å; Y592-K596 WeakPolarHBondContact O-CB 3.31Å; Y592-K596 PolarHBondContact O-N 3.08Å; Y592-K596 PolarHBondContact OH-NZ 2.82Å; A593-K596 PolarHBondContact O-N 3.22Å; K596-A598 VanDerWaalsContact C-N 3.31Å; K596-A598 PolarHBondContact O-N 3.42Å; K596-A599 PolarHBondContact O-N 2.73Å; K596-Q600 WeakPolarHBondContact O-CB 2.87Å; K596-Q600 PolarHBondContact O-N 2.71Å
597A71.8Confident65Low71 Ų7182.4 Ų82.459%0.58742%0.421SS*.Hα-helixtrans-59.6-39.4178.200000112.8A593 P601A593-A597 WeakPolarHBondContact O-CB 3.38Å; A593-A597 PolarHBondContact O-N 2.85Å; A597-P601 WeakPolarHBondContact O-CD 3.41Å
598A68.6Low65.6Low29 Ų2982.3 Ų82.324%0.2442%0.42CS..Hα-helixtrans-74.9-32.6178.700000113.7L543 T594 L595 K596L543-A598 HydrophobicContact CD1-CB 3.26Å; T594-A598 WeakPolarHBondContact O-CB 3.42Å; T594-A598 PolarHBondContact O-N 3.23Å; L595-A598 PolarHBondContact O-N 3.18Å; K596-A598 VanDerWaalsContact C-N 3.31Å; K596-A598 PolarHBondContact O-N 3.42Å
599A67.7Low65.8Low10 Ų1081.3 Ų81.38%0.08342%0.419CS..Hα-helixtrans-81.4-28.7179.600000113L539 L595 K596 I602 I603L539-A599 HydrophobicContact CB-CB 4.43Å; L539-A599 HydrophobicContact CD1-CB 4.05Å; L595-A599 WeakPolarHBondContact O-CB 3.09Å; L595-A599 PolarHBondContact O-N 3.17Å; K596-A599 PolarHBondContact O-N 2.73Å; A599-I602 WeakPolarHBondContact O-CB 3.39Å; A599-I602 PolarHBondContact O-N 3.07Å; A599-I603 HydrophobicContact CB-CD1 3.79Å; A599-I603 HydrophobicContact CB-CG1 4.39Å; A599-I603 WeakPolarHBondContact O-CG1 3.45Å; A599-I603 PolarHBondContact O-N 3.22Å
600Q68.1Low65.9Low115 Ų11578.8 Ų78.854%0.53741%0.414SS..Hα-helixtrans-48.2-49.3-177.8-152.899.5-600114.5K596 I602 S604K596-Q600 WeakPolarHBondContact O-CB 2.87Å; K596-Q600 PolarHBondContact O-N 2.71Å; Q600-I602 VanDerWaalsContact C-N 3.27Å; Q600-I602 PolarHBondContact O-N 3.49Å; Q600-S604 WeakPolarHBondContact O-CB 3.49Å; Q600-S604 PolarHBondContact O-N 2.78Å; Q600-S604 VanDerWaalsContact O-N 3.1Å; Q600-S604 PolarHBondContact O-OG 2.82Å
601P70.2Confident66Low64 Ų6479 Ų7942%0.41641%0.414SS..Hα-helixtrans-73.6-15179.428.4-35000114.3A597 S604 R605A597-P601 WeakPolarHBondContact O-CD 3.41Å; P601-S604 PolarHBondContact O-OG 3.1Å; P601-R605 WeakPolarHBondContact O-CD 2.95Å; P601-R605 WeakPolarHBondContact O-CG 3.16Å; P601-R605 PolarHBondContact O-NE 3.16Å
602I69.4Low65.8Low68 Ų6879 Ų7935%0.34942%0.415SS..Hα-helixtrans-89.2-43.5177.8-61.1174.9000109.4L539 A599 Q600 S604 R605 I606L539-I602 HydrophobicContact CD2-CG2 3.88Å; L539-I602 WeakPolarHBondContact O-CD1 3.39Å; A599-I602 WeakPolarHBondContact O-CB 3.39Å; A599-I602 PolarHBondContact O-N 3.07Å; Q600-I602 VanDerWaalsContact C-N 3.27Å; Q600-I602 PolarHBondContact O-N 3.49Å; I602-S604 VanDerWaalsContact C-N 3.35Å; I602-R605 PolarHBondContact O-N 2.9Å; I602-I606 HydrophobicContact CG2-CD1 4.25Å; I602-I606 WeakPolarHBondContact O-CD1 3.15Å; I602-I606 WeakPolarHBondContact O-CG1 3.39Å
603I66.5Low65.4Low63 Ų6381.3 Ų81.332%0.32343%0.431SS..Hα-helixtrans-62.4-41.4176.2-66.7169.5000110.6L539 A599 R605 I606L539-I603 HydrophobicContact CD1-CD1 4.37Å; L539-I603 HydrophobicContact CD1-CG1 4.49Å; L539-I603 HydrophobicContact CD2-CG1 4.5Å; A599-I603 HydrophobicContact CB-CD1 3.79Å; A599-I603 HydrophobicContact CB-CG1 4.39Å; A599-I603 WeakPolarHBondContact O-CG1 3.45Å; A599-I603 PolarHBondContact O-N 3.22Å; I603-R605 PolarHBondContact O-N 3.48Å; I603-I606 PolarHBondContact O-N 3.14Å; I603-I606 VanDerWaalsContact O-N 3.07Å
604S68.4Low64.7Low95 Ų9583.9 Ų83.966%0.66444%0.441SS*.THydrogen-bonded Turntrans-64.3-11.8178.165.70000114.9Q600 P601 I602Q600-S604 WeakPolarHBondContact O-CB 3.49Å; Q600-S604 PolarHBondContact O-N 2.78Å; Q600-S604 VanDerWaalsContact O-N 3.1Å; Q600-S604 PolarHBondContact O-OG 2.82Å; P601-S604 PolarHBondContact O-OG 3.1Å; I602-S604 VanDerWaalsContact C-N 3.35Å
605R69.2Low63.7Low210 Ų21090.7 Ų90.779%0.79246%0.461SS*.THydrogen-bonded Turntrans-100.6-4.9177.5-65.3176.8-176.4177.71.6113.4P601 I602 I603P601-R605 WeakPolarHBondContact O-CD 2.95Å; P601-R605 WeakPolarHBondContact O-CG 3.16Å; P601-R605 PolarHBondContact O-NE 3.16Å; I602-R605 PolarHBondContact O-N 2.9Å; I603-R605 PolarHBondContact O-N 3.48Å
606I67Low62.8Low52 Ų5294.8 Ų94.827%0.26749%0.49SS..  trans-99.1118.9-176.1-63.6164.7000108.9I602 I603 D608 L612I602-I606 HydrophobicContact CG2-CD1 4.25Å; I602-I606 WeakPolarHBondContact O-CD1 3.15Å; I602-I606 WeakPolarHBondContact O-CG1 3.39Å; I603-I606 PolarHBondContact O-N 3.14Å; I603-I606 VanDerWaalsContact O-N 3.07Å; I606-D608 VanDerWaalsContact C-N 3.26Å; I606-D608 VanDerWaalsContact CG2-C 3.44Å; I606-D608 VanDerWaalsContact CG2-O 3.3Å; I606-D608 WeakPolarHBondContact CG2-O 3.01Å; I606-D608 PolarHBondContact O-N 3.34Å; I606-L612 HydrophobicContact CD1-CD1 3.55Å; I606-L612 HydrophobicContact CD1-CG 4.23Å
607R68.4Low61.8Low264 Ų264101.2 Ų101.2100%0.99651%0.511SS*.SBendtrans-64.6-27.4178.1-84.9-176-178.4177.6-0.1113.9
608D64.3Low60.7Low67 Ų67109.9 Ų109.936%0.35853%0.529SS..  trans-147.697.9176.71798.4000109.9I606 S610 I611I606-D608 VanDerWaalsContact C-N 3.26Å; I606-D608 VanDerWaalsContact CG2-C 3.44Å; I606-D608 VanDerWaalsContact CG2-O 3.3Å; I606-D608 WeakPolarHBondContact CG2-O 3.01Å; I606-D608 PolarHBondContact O-N 3.34Å; D608-S610 PolarHBondContact O-N 2.9Å; D608-S610 WeakPolarHBondContact OD1-CB 3.4Å; D608-S610 PolarHBondContact OD1-N 2.86Å; D608-S610 VanDerWaalsContact OD1-N 3.11Å; D608-S610 PolarHBondContact OD1-OG 2.79Å; D608-I611 HydrophobicContact CB-CD1 3.75Å; D608-I611 HydrophobicContact CB-CG1 3.97Å; D608-I611 WeakPolarHBondContact O-CB 3.41Å; D608-I611 PolarHBondContact O-N 2.91Å; D608-I611 WeakPolarHBondContact OD2-CG1 3.49Å
609P59Low59.9Low58 Ų58113.9 Ų113.938%0.37755%0.551SS.*THydrogen-bonded Turntrans-65-20.6-177.723.8-30.9000112.9I611 L612P609-I611 PolarHBondContact O-N 2.99Å; P609-L612 WeakPolarHBondContact O-CB 3.22Å; P609-L612 PolarHBondContact O-N 2.99Å
610S58.7Low59.4Low68 Ų68121.2 Ų121.248%0.47658%0.576SS.*THydrogen-bonded Turntrans-61.4-24.9175.8-33.30000112.4D608 L612 L613 T614D608-S610 PolarHBondContact O-N 2.9Å; D608-S610 WeakPolarHBondContact OD1-CB 3.4Å; D608-S610 PolarHBondContact OD1-N 2.86Å; D608-S610 VanDerWaalsContact OD1-N 3.11Å; D608-S610 PolarHBondContact OD1-OG 2.79Å; S610-L612 PolarHBondContact O-N 2.82Å; S610-L613 PolarHBondContact O-N 3.41Å; S610-T614 PolarHBondContact O-N 2.86Å; S610-T614 PolarHBondContact O-OG1 3.33Å
611I61.4Low59.1Low93 Ų93122.7 Ų122.748%0.47758%0.577SS.*Hα-helixtrans-63.9-28.1176.2-63.4175.8000111.6D608 P609 L613 T614 R615D608-I611 HydrophobicContact CB-CD1 3.75Å; D608-I611 HydrophobicContact CB-CG1 3.97Å; D608-I611 WeakPolarHBondContact O-CB 3.41Å; D608-I611 PolarHBondContact O-N 2.91Å; D608-I611 WeakPolarHBondContact OD2-CG1 3.49Å; P609-I611 PolarHBondContact O-N 2.99Å; I611-L613 VanDerWaalsContact C-N 3.33Å; I611-L613 PolarHBondContact O-N 2.86Å; I611-T614 WeakPolarHBondContact CA-OG1 3.46Å; I611-T614 PolarHBondContact O-N 2.88Å; I611-T614 PolarHBondContact O-OG1 2.86Å; I611-R615 WeakPolarHBondContact O-CB 3.39Å; I611-R615 PolarHBondContact O-N 2.85Å
612L56.8Low58.7Low43 Ų43121 Ų12123%0.22556%0.564CS.*Hα-helixtrans-72-27.9179-67.2-177.3000113.2I538 L539 I606 P609 S610I538-L612 HydrophobicContact CG2-CD2 4.21Å; L539-L612 HydrophobicContact CD2-CD1 3.54Å; L539-L612 HydrophobicContact CG-CD1 4.45Å; I606-L612 HydrophobicContact CD1-CD1 3.55Å; I606-L612 HydrophobicContact CD1-CG 4.23Å; P609-L612 WeakPolarHBondContact O-CB 3.22Å; P609-L612 PolarHBondContact O-N 2.99Å; S610-L612 PolarHBondContact O-N 2.82Å
613L52.5Low58.5Low109 Ų109118.8 Ų118.857%0.57155%0.553SS**Hα-helixtrans-84.8-22.5177.9-64.5174.9000112.4L535 S610 I611L535-L613 HydrophobicContact CD2-CD2 4.09Å; L535-L613 HydrophobicContact CG-CD2 4.43Å; S610-L613 PolarHBondContact O-N 3.41Å; I611-L613 VanDerWaalsContact C-N 3.33Å; I611-L613 PolarHBondContact O-N 2.86Å
614T51.1Low58.7Low104 Ų104119.4 Ų119.464%0.63856%0.557SS**Hα-helixtrans-106.6-2.5-175.252.60000114S610 I611 P616S610-T614 PolarHBondContact O-N 2.86Å; S610-T614 PolarHBondContact O-OG1 3.33Å; I611-T614 WeakPolarHBondContact CA-OG1 3.46Å; I611-T614 PolarHBondContact O-N 2.88Å; I611-T614 PolarHBondContact O-OG1 2.86Å; T614-P616 WeakPolarHBondContact O-CD 3.31Å
615R45.7Very low58.6Low194 Ų194117.3 Ų117.373%0.73254%0.54SS*.PPolyproline II helixtrans-58.8118.3-177.3-161.2178.7-172.3-170.14.1111.4I611 R617I611-R615 WeakPolarHBondContact O-CB 3.39Å; I611-R615 PolarHBondContact O-N 2.85Å; R615-R617 PolarHBondContact O-N 3.44Å
616P46.1Very low58.6Low116 Ų116108.1 Ų108.175%0.75351%0.506SS*.PPolyproline II helixtrans-59.7126173.5-17.628.9000109T614 R618T614-P616 WeakPolarHBondContact O-CD 3.31Å; P616-R618 PolarHBondContact O-N 2.72Å
617R48Very low58.8Low233 Ų233109.4 Ų109.488%0.87951%0.514SS*.PPolyproline II helixtrans-63.3128.6168-76.8-167.8172-161.9-1.8107.4R615 T619R615-R617 PolarHBondContact O-N 3.44Å; R617-T619 VanDerWaalsContact C-N 3.28Å; R617-T619 PolarHBondContact O-N 2.73Å
618R47.4Very low58.9Low252 Ų25299.9 Ų99.995%0.95148%0.482SS*.  trans-60.397.3164.1-77.6-172.6177.2-170.7-0.2107.5P616P616-R618 PolarHBondContact O-N 2.72Å
619T51.3Low59.1Low114 Ų114100.1 Ų100.170%0.69948%0.482SS*.PPolyproline II helixtrans-65.2128.6165.326.60000107.2R617R617-T619 VanDerWaalsContact C-N 3.28Å; R617-T619 PolarHBondContact O-N 2.73Å
620R57.9Low59.6Low163 Ų16397.7 Ų97.762%0.61547%0.467SS*.PPolyproline II helixtrans-60.8142.2168.1-72.9-172.5178.4-166.3-3107.8D624 V625R620-D624 HydrophobicContact CB-CB 4.32Å; R620-V625 HydrophobicContact CB-CG2 3.9Å
621R62.6Low60.3Low147 Ų14799 Ų9956%0.55548%0.476SS*.PPolyproline II helixtrans-61.8146.3175.3-63.5-177176.4-174.32.6107.6N623 D624 V625 S643R621-N623 PolarHBondContact O-N 3.22Å; R621-N623 VanDerWaalsContact O-N 3.16Å; R621-D624 WeakPolarHBondContact CB-OD2 3.35Å; R621-D624 PolarHBondContact N-OD2 2.71Å; R621-D624 WeakPolarHBondContact O-CB 3.31Å; R621-D624 PolarHBondContact O-N 3.49Å; R621-V625 PolarHBondContact O-N 3.33Å; R621-S643 PolarHBondContact NH1-OG 3.47Å
622L61.6Low60.9Low29 Ų29103.8 Ų103.815%0.15249%0.488CS..Hα-helixtrans-53.7-37.5178.7-177.560.5000110.7Y227 L277 D624 V625 I626Y227-L622 HydrophobicContact CD1-CD1 4.4Å; L277-L622 HydrophobicContact CD1-CD2 3.54Å; L277-L622 HydrophobicContact CD2-CD2 3.88Å; L277-L622 HydrophobicContact CG-CD2 4.38Å; L622-D624 PolarHBondContact O-N 3.46Å; L622-V625 WeakPolarHBondContact O-CA 3.47Å; L622-V625 WeakPolarHBondContact O-CB 3.21Å; L622-V625 PolarHBondContact O-N 2.87Å; L622-I626 HydrophobicContact CD1-CD1 4.29Å; L622-I626 HydrophobicContact CD1-CG1 4.35Å; L622-I626 HydrophobicContact CD2-CD1 4.4Å; L622-I626 HydrophobicContact CG-CD1 3.81Å; L622-I626 HydrophobicContact CG-CG1 4.3Å; L622-I626 WeakPolarHBondContact O-CG1 3.37Å; L622-I626 PolarHBondContact O-N 2.83Å
623N64.5Low61.1Low21 Ų21108 Ų10811%0.11250%0.504CS..Hα-helixtrans-55.3-50.6173.4-58.61.9000111.5R621 V625 I626 D627 L640 L642R621-N623 PolarHBondContact O-N 3.22Å; R621-N623 VanDerWaalsContact O-N 3.16Å; N623-V625 PolarHBondContact O-N 3.13Å; N623-V625 VanDerWaalsContact O-N 3.16Å; N623-I626 PolarHBondContact O-N 3.3Å; N623-I626 VanDerWaalsContact O-N 3.14Å; N623-D627 VanDerWaalsContact O-CB 3.28Å; N623-D627 WeakPolarHBondContact O-CB 3.42Å; N623-D627 PolarHBondContact O-N 2.64Å; N623-L640 PolarHBondContact ND2-O 3.44Å; N623-L642 PolarHBondContact ND2-N 3.38Å; N623-L642 WeakPolarHBondContact OD1-CB 3.43Å; N623-L642 WeakPolarHBondContact OD1-CD1 3.42Å
624D70.2Confident61.8Low75 Ų75106 Ų10640%0.40151%0.51SS..Hα-helixtrans-60.4-31.5178.5-47.6-29.5000112.3R620 R621 L622 L628R620-D624 HydrophobicContact CB-CB 4.32Å; R621-D624 WeakPolarHBondContact CB-OD2 3.35Å; R621-D624 PolarHBondContact N-OD2 2.71Å; R621-D624 WeakPolarHBondContact O-CB 3.31Å; R621-D624 PolarHBondContact O-N 3.49Å; L622-D624 PolarHBondContact O-N 3.46Å; D624-L628 WeakPolarHBondContact O-CB 3.42Å; D624-L628 PolarHBondContact O-N 3.39Å
625V67.6Low62.3Low52 Ų52103.2 Ų103.232%0.31549%0.491SS..Hα-helixtrans-75.4-44.3177.9177.20000110.5R620 R621 L622 N623 M629R620-V625 HydrophobicContact CB-CG2 3.9Å; R621-V625 PolarHBondContact O-N 3.33Å; L622-V625 WeakPolarHBondContact O-CA 3.47Å; L622-V625 WeakPolarHBondContact O-CB 3.21Å; L622-V625 PolarHBondContact O-N 2.87Å; N623-V625 PolarHBondContact O-N 3.13Å; N623-V625 VanDerWaalsContact O-N 3.16Å; V625-M629 HydrophobicContact CG1-CE 3.46Å; V625-M629 VanDerWaalsContact CG1-CE 3.46Å; V625-M629 WeakPolarHBondContact O-CB 3.2Å; V625-M629 WeakPolarHBondContact O-CG 3.43Å; V625-M629 PolarHBondContact O-N 2.99Å
626I68.1Low63Low17 Ų17100.6 Ų100.69%0.08750%0.496CS..Hα-helixtrans-61.8-51.9175.3-67.8171.6000109.5L220 L277 L622 N623 L628 M629 A630 F637L220-I626 HydrophobicContact CD1-CG1 4.15Å; L277-I626 HydrophobicContact CD1-CD1 4.39Å; L622-I626 HydrophobicContact CD1-CD1 4.29Å; L622-I626 HydrophobicContact CD1-CG1 4.35Å; L622-I626 HydrophobicContact CD2-CD1 4.4Å; L622-I626 HydrophobicContact CG-CD1 3.81Å; L622-I626 HydrophobicContact CG-CG1 4.3Å; L622-I626 WeakPolarHBondContact O-CG1 3.37Å; L622-I626 PolarHBondContact O-N 2.83Å; N623-I626 PolarHBondContact O-N 3.3Å; N623-I626 VanDerWaalsContact O-N 3.14Å; I626-L628 VanDerWaalsContact C-N 3.34Å; I626-L628 PolarHBondContact O-N 3.49Å; I626-M629 PolarHBondContact O-N 3.04Å; I626-M629 VanDerWaalsContact O-N 3.11Å; I626-A630 WeakPolarHBondContact O-CB 3.38Å; I626-A630 PolarHBondContact O-N 3Å; I626-F637 HydrophobicContact CG2-CD2 4.24Å; I626-F637 HydrophobicContact CG2-CE2 4.17Å
627D71Confident63.5Low79 Ų7997.3 Ų97.342%0.42247%0.47SS..Hα-helixtrans-61.5-40.5-179.7-67.8-20.1000111.8N623 A630 S631N623-D627 VanDerWaalsContact O-CB 3.28Å; N623-D627 WeakPolarHBondContact O-CB 3.42Å; N623-D627 PolarHBondContact O-N 2.64Å; D627-A630 PolarHBondContact O-N 3.13Å; D627-S631 WeakPolarHBondContact O-CB 3.45Å; D627-S631 PolarHBondContact O-N 2.69Å
628L71.7Confident63.8Low63 Ų6393.6 Ų93.633%0.3346%0.463SS..Hα-helixtrans-65.5-39.9175.1-178.271.1000112D624 I626 R632D624-L628 WeakPolarHBondContact O-CB 3.42Å; D624-L628 PolarHBondContact O-N 3.39Å; I626-L628 VanDerWaalsContact C-N 3.34Å; I626-L628 PolarHBondContact O-N 3.49Å; L628-R632 WeakPolarHBondContact O-CB 3.37Å; L628-R632 VanDerWaalsContact O-CG 3.32Å; L628-R632 WeakPolarHBondContact O-CG 3.47Å; L628-R632 PolarHBondContact O-N 3.09Å; L628-R632 VanDerWaalsContact O-N 3.14Å
629M67.3Low63.7Low72 Ų7287.7 Ų87.736%0.35546%0.457SS..Hα-helixtrans-68.1-41.8176.2-75.7-158.4-10800111.3A223 V625 I626 K633A223-M629 HydrophobicContact CB-CE 3.92Å; V625-M629 HydrophobicContact CG1-CE 3.46Å; V625-M629 VanDerWaalsContact CG1-CE 3.46Å; V625-M629 WeakPolarHBondContact O-CB 3.2Å; V625-M629 WeakPolarHBondContact O-CG 3.43Å; V625-M629 PolarHBondContact O-N 2.99Å; I626-M629 PolarHBondContact O-N 3.04Å; I626-M629 VanDerWaalsContact O-N 3.11Å; M629-K633 PolarHBondContact O-N 2.93Å
630A70Confident63.6Low7 Ų785.7 Ų85.76%0.05844%0.442CS..Hα-helixtrans-59.9-51.6175.500000112.1I626 D627 R632 K633 G634 I635 F637I626-A630 WeakPolarHBondContact O-CB 3.38Å; I626-A630 PolarHBondContact O-N 3Å; D627-A630 PolarHBondContact O-N 3.13Å; A630-R632 PolarHBondContact O-N 3.07Å; A630-K633 CarbonylContact O-C 3.37Å; A630-K633 PolarHBondContact O-N 3.21Å; A630-G634 PolarHBondContact O-N 2.97Å; A630-I635 PolarHBondContact O-N 2.87Å; A630-I635 VanDerWaalsContact O-N 3.09Å; A630-F637 HydrophobicContact CB-CD2 3.23Å; A630-F637 HydrophobicContact CB-CE2 3.25Å; A630-F637 HydrophobicContact CB-CG 4.46Å; A630-F637 HydrophobicContact CB-CZ 4.48Å
631S74.3Confident63Low95 Ų9583.4 Ų83.466%0.66444%0.442SS*.Hα-helixtrans-61.5-41.6-178.8175.20000111.9D627 K633 G634D627-S631 WeakPolarHBondContact O-CB 3.45Å; D627-S631 PolarHBondContact O-N 2.69Å; S631-K633 PolarHBondContact O-N 2.92Å; S631-K633 VanDerWaalsContact O-N 3.1Å; S631-G634 PolarHBondContact O-N 2.91Å
632R72.2Confident62.3Low194 Ų19478.4 Ų78.473%0.73243%0.426SS*.THydrogen-bonded Turntrans-63.7-15.4176-81-179.9173.7-174.7-1.3114.1L628 A630L628-R632 WeakPolarHBondContact O-CB 3.37Å; L628-R632 VanDerWaalsContact O-CG 3.32Å; L628-R632 WeakPolarHBondContact O-CG 3.47Å; L628-R632 PolarHBondContact O-N 3.09Å; L628-R632 VanDerWaalsContact O-N 3.14Å; A630-R632 PolarHBondContact O-N 3.07Å
633K62.9Low61.6Low131 Ų13178.8 Ų78.857%0.5743%0.431SS*.THydrogen-bonded Turntrans-122.27-173.6-68.1-67.7-172.8176.60113.7M216 M629 A630 S631 I635M216-K633 HydrophobicContact CE-CB 3.58Å; M216-K633 HydrophobicContact CE-CD 4.18Å; M216-K633 HydrophobicContact CE-CG 3.69Å; M216-K633 HydrophobicContact SD-CB 4.48Å; M216-K633 HydrophobicContact SD-CG 4.39Å; M629-K633 PolarHBondContact O-N 2.93Å; A630-K633 CarbonylContact O-C 3.37Å; A630-K633 PolarHBondContact O-N 3.21Å; S631-K633 PolarHBondContact O-N 2.92Å; S631-K633 VanDerWaalsContact O-N 3.1Å; K633-I635 VanDerWaalsContact C-N 3.33Å
634G66.3Low60.6Low67 Ų6782 Ų8269%0.69146%0.455SS*.THydrogen-bonded Turntrans72.522.3174.800000114.4A630 S631A630-G634 PolarHBondContact O-N 2.97Å; S631-G634 PolarHBondContact O-N 2.91Å
635I60.7Low59.2Low46 Ų4680.2 Ų80.224%0.23645%0.451CS..  trans-96.1122177.8-61.6172.3000108.3M216 A630 K633 F637M216-I635 HydrophobicContact CB-CD1 4.1Å; M216-I635 HydrophobicContact CE-CD1 3.66Å; M216-I635 HydrophobicContact CG-CD1 3.46Å; M216-I635 VanDerWaalsContact CG-CD1 3.46Å; M216-I635 HydrophobicContact SD-CD1 4.07Å; A630-I635 PolarHBondContact O-N 2.87Å; A630-I635 VanDerWaalsContact O-N 3.09Å; K633-I635 VanDerWaalsContact C-N 3.33Å; I635-F637 HydrophobicContact CG2-CD1 4.15Å; I635-F637 HydrophobicContact CG2-CD2 4.4Å; I635-F637 HydrophobicContact CG2-CE1 3.72Å; I635-F637 HydrophobicContact CG2-CE2 4.01Å; I635-F637 HydrophobicContact CG2-CG 4.46Å; I635-F637 HydrophobicContact CG2-CZ 3.63Å
636V60.5Low57.9Low139 Ų13983.2 Ų83.284%0.84247%0.465SS*.  trans-90.1104176.4-177.50000108.1
637F56.7Low56.4Low47 Ų4791.3 Ų91.321%0.20650%0.499CS..  trans-86.3140.1165.7-65.6-57.2000109.3I273 I626 A630 I635I273-F637 HydrophobicContact CD1-CD1 4.16Å; I273-F637 HydrophobicContact CD1-CE1 3.57Å; I273-F637 HydrophobicContact CD1-CZ 4.08Å; I626-F637 HydrophobicContact CG2-CD2 4.24Å; I626-F637 HydrophobicContact CG2-CE2 4.17Å; A630-F637 HydrophobicContact CB-CD2 3.23Å; A630-F637 HydrophobicContact CB-CE2 3.25Å; A630-F637 HydrophobicContact CB-CG 4.46Å; A630-F637 HydrophobicContact CB-CZ 4.48Å; I635-F637 HydrophobicContact CG2-CD1 4.15Å; I635-F637 HydrophobicContact CG2-CD2 4.4Å; I635-F637 HydrophobicContact CG2-CE1 3.72Å; I635-F637 HydrophobicContact CG2-CE2 4.01Å; I635-F637 HydrophobicContact CG2-CG 4.46Å; I635-F637 HydrophobicContact CG2-CZ 3.63Å
638Q54Low54.5Low156 Ų15694.7 Ų94.773%0.72952%0.516SS*.  trans-65.4140.2162.5-78.8-171.2-17.900108.4L640Q638-L640 PolarHBondContact O-N 2.78Å
639P47.1Very low52.7Low128 Ų12897 Ų9783%0.83154%0.538SS*.  trans-60.5104.9-177.7-17.328.4000110.4
640L49.2Very low51Low71 Ų71100.2 Ų100.237%0.37256%0.561SS.*  trans-87.4105.7169.5-86.9139.9000107.9N623 Q638 L642N623-L640 PolarHBondContact ND2-O 3.44Å; Q638-L640 PolarHBondContact O-N 2.78Å; L640-L642 VanDerWaalsContact C-N 3.3Å; L640-L642 HydrophobicContact CB-CD1 4.25Å; L640-L642 PolarHBondContact O-N 3.15Å
641D44.8Very low49.1Very low115 Ų115104 Ų10462%0.61559%0.593SS**  trans-74.582175.1-172.419.3000111S643D641-S643 PolarHBondContact O-N 3.39Å; D641-S643 WeakPolarHBondContact OD1-CB 3.35Å; D641-S643 PolarHBondContact OD1-N 3.15Å; D641-S643 VanDerWaalsContact OD1-N 3.16Å; D641-S643 PolarHBondContact OD1-OG 2.91Å
642L48Very low46.9Very low42 Ų42107.7 Ų107.722%0.2261%0.605CS.*G310 helixtrans-79.110173-60.1135.2000113N623 L640 S644 A645N623-L642 PolarHBondContact ND2-N 3.38Å; N623-L642 WeakPolarHBondContact OD1-CB 3.43Å; N623-L642 WeakPolarHBondContact OD1-CD1 3.42Å; L640-L642 VanDerWaalsContact C-N 3.3Å; L640-L642 HydrophobicContact CB-CD1 4.25Å; L640-L642 PolarHBondContact O-N 3.15Å; L642-S644 PolarHBondContact O-N 2.96Å; L642-A645 PolarHBondContact O-N 3.29Å
643S46.4Very low44.8Very low38 Ų38100.7 Ų100.727%0.26659%0.593SS.*G310 helixtrans-67.9-20.5-177.5-500000113.6R621 D641R621-S643 PolarHBondContact NH1-OG 3.47Å; D641-S643 PolarHBondContact O-N 3.39Å; D641-S643 WeakPolarHBondContact OD1-CB 3.35Å; D641-S643 PolarHBondContact OD1-N 3.15Å; D641-S643 VanDerWaalsContact OD1-N 3.16Å; D641-S643 PolarHBondContact OD1-OG 2.91Å
644S43.5Very low43.1Very low88 Ų8899 Ų9962%0.61560%0.596SS**G310 helixtrans-85.2-22.2-177.3460000113.8L642L642-S644 PolarHBondContact O-N 2.96Å
645A41.9Very low41.5Very low38 Ų38100.3 Ų100.331%0.31459%0.59SS.*G310 helixtrans-76.5-21-179.700000113.8L642L642-A645 PolarHBondContact O-N 3.29Å
646L38.7Very low40.4Very low115 Ų115106.4 Ų106.460%0.60261%0.612SS**G310 helixtrans-91.16.1-173.6-70.2169.3000114.8
647K36.6Very low39.3Very low186 Ų186102.7 Ų102.781%0.80959%0.587SS**G310 helixtrans-92.70.1179.5-76.7-173.6179.6178.50114.8S649K647-S649 PolarHBondContact O-N 2.86Å
648L31.6Very low38.5Very low150 Ų150106.5 Ų106.579%0.78560%0.6SS**SBendtrans-80.6117.8172.7-84.9101.1000110.9V650L648-V650 PolarHBondContact O-N 3.49Å
649S34.9Very low37.7Very low112 Ų112106.1 Ų106.178%0.78360%0.596SS**  trans-52.8132.5171.856.30000111.3K647 A651K647-S649 PolarHBondContact O-N 2.86Å; S649-A651 PolarHBondContact O-N 3.23Å; S649-A651 VanDerWaalsContact O-N 3.09Å
650V31.3Very low37.2Very low140 Ų140107.2 Ų107.285%0.84858%0.583SS**  trans-54.2106.3177179.20000110.9L648L648-V650 PolarHBondContact O-N 3.49Å
651A30Very low36.2Very low87 Ų87109.3 Ų109.372%0.71960%0.601SS**  trans-109.4133.5150.400000106.3S649 G653S649-A651 PolarHBondContact O-N 3.23Å; S649-A651 VanDerWaalsContact O-N 3.09Å; A651-G653 VanDerWaalsContact C-N 3.31Å; A651-G653 PolarHBondContact O-N 3.47Å
652N28.4Very low35.6Very low171 Ų171110.1 Ų110.191%0.91460%0.601SS**  trans-55.691.2177.1-69.6-38.3000110.2
653G26.9Very low34.5Very low48 Ų48112.9 Ų112.950%0.49562%0.624SS.*  trans-96.4155.6172.400000110.6A651 V655A651-G653 VanDerWaalsContact C-N 3.31Å; A651-G653 PolarHBondContact O-N 3.47Å; G653-V655 PolarHBondContact O-N 2.97Å
654P28.4Very low33.7Very low96 Ų96116.5 Ų116.562%0.62365%0.647SS**  trans-62.2134.1-169.726.7-33.5000111.2Y656P654-Y656 PolarHBondContact O-N 3.46Å; P654-Y656 VanDerWaalsContact O-N 3.15Å
655V33Very low33Very low94 Ų94118.5 Ų118.557%0.5765%0.654SS**  trans-62.1113.7166.3176.20000107.1G653 D657G653-V655 PolarHBondContact O-N 2.97Å; V655-D657 PolarHBondContact O-N 3.1Å
656Y35.8Very low32.2Very low174 Ų174125.3 Ų125.368%0.68268%0.677SS**  trans-70.893.9175.1-73.5-81.6000109.6P654 R658P654-Y656 PolarHBondContact O-N 3.46Å; P654-Y656 VanDerWaalsContact O-N 3.15Å; Y656-R658 PolarHBondContact O-N 3.28Å
657D38.8Very low31.8Very low61 Ų61126 Ų12633%0.32669%0.687SS.*  trans-86.290.2171.5-157.823.4000107.8V655 K659V655-D657 PolarHBondContact O-N 3.1Å; D657-K659 PolarHBondContact O-N 3.1Å; D657-K659 VanDerWaalsContact OD2-CE 3.29Å; D657-K659 WeakPolarHBondContact OD2-CE 3.23Å
658R39.8Very low31.4Very low127 Ų127124.8 Ų124.848%0.47969%0.689SS.*  trans-71.185.2171.9-93.7-170.3172.6-164.1-2.5108.1E264 Y285 Y656E264-R658 IonicContact OE1-CZ 3.11Å; E264-R658 IonicContact OE1-NH1 3.28Å; E264-R658 PolarHBondContact OE1-NH1 2.9Å; E264-R658 IonicContact OE1-NH2 3.97Å; E264-R658 PolarHBondContact OE1-NH2 3.02Å; E264-R658 IonicContact OE2-CZ 3.46Å; E264-R658 IonicContact OE2-NH1 3.77Å; E264-R658 PolarHBondContact OE2-NH1 3.05Å; Y285-R658 HydrophobicContact CE1-CB 4.44Å; Y656-R658 PolarHBondContact O-N 3.28Å
659K36.8Very low31.3Very low147 Ų147121.8 Ų121.864%0.63969%0.686SS**  trans-65.3133.5166.6-68.7-178.4-179.6176.70108.6D657D657-K659 PolarHBondContact O-N 3.1Å; D657-K659 VanDerWaalsContact OD2-CE 3.29Å; D657-K659 WeakPolarHBondContact OD2-CE 3.23Å
660R35.5Very low30.9Very low151 Ų151122.7 Ų122.757%0.5769%0.689SS**  trans-45.9128175.1-166.2-179.4-150.1-175.84.8110H662R660-H662 PolarHBondContact O-N 3.41Å
661P30Very low30.8Very low115 Ų115121.7 Ų121.775%0.74769%0.688SS**PPolyproline II helixtrans-57.2128.3173.921.4-29.4000109
662H31.6Very low30.7Very low133 Ų133123 Ų12362%0.61669%0.692SS**PPolyproline II helixtrans-72.2133.1177.1-72.6-98.9000108.5R660R660-H662 PolarHBondContact O-N 3.41Å
663S25.6Very low31Very low99 Ų99124.5 Ų124.569%0.69269%0.69SS**PPolyproline II helixtrans-53.7135158.328.90000108.8V665S663-V665 PolarHBondContact O-N 3.27Å
664P28.4Very low31.1Very low115 Ų115131.6 Ų131.675%0.74771%0.707SS**  trans-65.5114.3-175.825.4-31000108.9F666P664-F666 PolarHBondContact O-N 2.93Å
665V28.3Very low31.3Very low129 Ų129134.5 Ų134.578%0.78272%0.717SS**  trans-74.9111.2163.7175.40000105.9S663 T667S663-V665 PolarHBondContact O-N 3.27Å; V665-T667 PolarHBondContact O-N 2.86Å; V665-T667 VanDerWaalsContact O-N 3.07Å
666F26.4Very low31.4Very low181 Ų181138.3 Ų138.379%0.79473%0.728SS**  trans-56.2113.7165.7-84.8-86.3000108.9P664 N668P664-F666 PolarHBondContact O-N 2.93Å; F666-N668 PolarHBondContact O-N 3.09Å; F666-N668 VanDerWaalsContact O-N 3.13Å
667T29.2Very low31Very low131 Ų131138.6 Ų138.680%0.80474%0.736SS**  trans-69.498166.838.30000108.4V665 A669V665-T667 PolarHBondContact O-N 2.86Å; V665-T667 VanDerWaalsContact O-N 3.07Å; T667-A669 PolarHBondContact O-N 3.32Å
668N28.4Very low30.7Very low160 Ų160142.3 Ų142.386%0.85676%0.761SS**  trans-69.699.2161.7-83-15.3000108.4F666F666-N668 PolarHBondContact O-N 3.09Å; F666-N668 VanDerWaalsContact O-N 3.13Å
669A29.3Very low30.4Very low86 Ų86144.3 Ų144.371%0.71178%0.781SS**  trans-69.3144.4161.700000109.6T667T667-A669 PolarHBondContact O-N 3.32Å
670P26.3Very low30.1Very low131 Ų131145.1 Ų145.185%0.85179%0.793SS**  trans-83.8123.2-17232.6-30.4000110.8
671S30.1Very low30Very low120 Ų120147.1 Ų147.184%0.83981%0.805SS**  trans-109.4100.8163.572.50000110.7
672S28.4Very low30.2Very low113 Ų113146.8 Ų146.879%0.7980%0.801SS**  trans-74.8133.1150.9-71.80000109.4
673K33.2Very low30.2Very low204 Ų204147 Ų14789%0.88781%0.807SS**  trans16099.8155.9-90162.3-173-173.30105.5
674K29.1Very low30.6Very low196 Ų196153.1 Ų153.185%0.85281%0.814SS**  51.2129.270-140.2-176.6-170.4-173.20113.1
675L32.8Very low30.8Very low157 Ų157151.7 Ų151.782%0.82281%0.807SS**  trans107.199.6164.9-67.2136.9000114
676H34.9Very low31.1Very low175 Ų175154.2 Ų154.281%0.8181%0.808SS**  68.1106.882.7-128.6-62.6000112.6
677E27.8Very low31.3Very low179 Ų179152.7 Ų152.784%0.83681%0.808SS**  trans-50.8135.5159.7-89.3167.5129.900110.8
678T33.5Very low31.4Very low140 Ų140151.5 Ų151.586%0.85981%0.805SS**  trans-165.6138.2135.1220000109.3
679D32.4Very low31.5Very low168 Ų168148.4 Ų148.490%0.89880%0.796SS**  trans-58.1145.1-170-70.7-61.3000116.8
680D31Very low31.5Very low165 Ų165152.3 Ų152.388%0.88280%0.802SS**  trans-70.7141.7166.8-88.9-44.9000113
681K33.7Very low31.8Very low193 Ų193153.3 Ų153.384%0.83980%0.799SS**  trans-128.1120151.4-103.3-171.2174.3171.60109.8
682V33Very low31.8Very low108 Ų108153.1 Ų153.166%0.65579%0.793SS**  trans77104.3130.8-179.80000116.7
683N32.8Very low32Very low138 Ų138157.1 Ų157.174%0.73880%0.799SS**  150.3139.297-112.7-18000114.1
684R32.9Very low31.8Very low226 Ų226154.7 Ų154.785%0.85380%0.796SS**  trans66.7145.1150-80.4-178.8166.3177.5-4.4118.6
685S33Very low32.1Very low85 Ų85152.9 Ų152.959%0.59479%0.794SS**  cis171.8134.9-2745.20000105.7
686K34.9Very low32.1Very low182 Ų182151 Ų15179%0.79179%0.789SS**  trans81.3108.2149.5-69.1175.9179-179.50120.6
687N31.4Very low31.9Very low149 Ų149147.4 Ų147.480%0.79778%0.784SS**  77.2115.5112.6-66.44.6000122.3
688S30.8Very low32.2Very low106 Ų106147.7 Ų147.774%0.74179%0.785SS**  102.1125.1117.3-165.20000120.7
689S30.5Very low31.9Very low95 Ų95150.5 Ų150.566%0.66479%0.785SS**  trans83.3114.6134.458.20000123.1
690M28.9Very low31.8Very low169 Ų169148.4 Ų148.483%0.83378%0.782SS**  82.8150.1121.3-68.6-111.19800121.6
691L32Very low31.6Very low152 Ų152147.6 Ų147.680%0.79678%0.777SS**  trans100.195166.4-54.8171000114.6
692T30Very low31.6Very low116 Ų116145 Ų14571%0.71278%0.778SS**  60.6117.579.559.30000115.9
693E32.7Very low31.3Very low197 Ų197147.7 Ų147.792%0.92179%0.788SS**  trans-164.5139.9131.1-108.1172.6-167.100112.8
694N29.2Very low31.2Very low152 Ų152145.2 Ų145.281%0.81380%0.795SS**  trans-92.4169-172.5-75.5-44.3000112.6
695I35.9Very low30.9Very low158 Ų158145.2 Ų145.281%0.8180%0.796SS**  trans179.295.7140-87.3148.3000106.5
696T33.8Very low30.9Very low119 Ų119146.6 Ų146.673%0.7381%0.805SS**  58.6139.196.756.40000114.9
697S30.7Very low30.6Very low99 Ų99143.3 Ų143.369%0.69280%0.8SS**  cis178.3142.44.537.40000105.9
698E32.7Very low30.4Very low185 Ų185141.1 Ų141.186%0.86480%0.803SS**  167.8115.997.6-79.5-173.9155.600106
699K28.5Very low30.4Very low198 Ų198141 Ų14186%0.86180%0.802SS**  64.310871.4-85.7-171.1-179.9177.90118.1
700C28.7Very low30.2Very low124 Ų124143 Ų14384%0.83881%0.81SS**  trans-176.7102133.4-100.80000108.3
701L26.9Very low30.4Very low148 Ų148142.3 Ų142.378%0.77581%0.808SS**  43.5116.390.3-64168.2000111.9
702T33.3Very low30.4Very low140 Ų140140.1 Ų140.186%0.85980%0.801SS**  -158.2146.377.549.30000114.8
703N28.3Very low30.2Very low163 Ų163143.5 Ų143.587%0.87281%0.806SS**  trans-67.2152.8170.7-67.9-37.8000114.1
704G30.5Very low30.2Very low86 Ų86139.9 Ų139.989%0.88780%0.802SS**  trans-16496.6162.900000111.4
705R26.8Very low30.1Very low227 Ų227139.3 Ų139.386%0.85780%0.8SS**  trans-105.5127179.8-178.1-176.5-172.3-176.92.9108.8
706S31.6Very low29.8Very low113 Ų113137.7 Ų137.779%0.7980%0.801SS**  trans-155.596.2158.6-79.30000107.2
707T28.4Very low29.6Very low113 Ų113137.3 Ų137.369%0.69380%0.803SS**  53.2128.782.761.30000117.1
708A29.3Very low29.4Very low103 Ų103141.1 Ų141.185%0.85182%0.815SS**  trans81.4134.516300000116
709S30.5Very low29.2Very low105 Ų105137.3 Ų137.373%0.73481%0.809SS**  cis-158135.214.347.20000110.6
710V26.6Very low29.3Very low135 Ų135133.9 Ų133.982%0.81881%0.806SS**  trans-68.6128.8163.8171.30000108.7
711I31.9Very low29.5Very low155 Ų155134.6 Ų134.680%0.79581%0.807SS**  trans-119.3125.3156.3-65.5-179.1000108.4
712T31.2Very low29.5Very low107 Ų107132.6 Ų132.666%0.65681%0.806SS**  trans-62.6142.7-177.943.30000115.3
713K27Very low29.5Very low186 Ų186132.5 Ų132.581%0.80981%0.805SS**  trans45.3118.7132-64-177.7173.8-176.80119.2
714S32.6Very low29.5Very low121 Ų121128.8 Ų128.885%0.84680%0.797SS**  trans-145.9110.4131.459.30000109.3
715D27.5Very low29.3Very low141 Ų141131.3 Ų131.375%0.75480%0.795SS**  trans-60.7148.1165.8-61.9-59.8000110.7
716C29.3Very low29.4Very low124 Ų124126 Ų12684%0.83879%0.792SS**  trans-173.1100138.4-101.40000111.3
717S29.8Very low29.2Very low111 Ų111125.7 Ų125.778%0.77679%0.79SS**  trans25.2124.6137.657.10000121
718L25.9Very low29.3Very low179 Ų179131.9 Ų131.994%0.93780%0.801SS**  trans-65.5141.4154.9-70.7103.8000112.1
719S29.6Very low29.4Very low105 Ų105132.3 Ų132.373%0.73480%0.795SS**  trans-158.5132.8146.258.80000109.7
720P30.5Very low29.2Very low125 Ų125137.3 Ų137.381%0.81280%0.804SS**  trans-96.5136.6179.935.2-27.9000111.3
721T33.2Very low29.5Very low140 Ų140140.8 Ų140.886%0.85981%0.808SS**  trans-145.7123.7164.940.80000111
722S26.6Very low29.4Very low106 Ų106139 Ų13974%0.74181%0.809SS**  trans-66.7142.4168.363.70000111.8
723T31.7Very low29.3Very low137 Ų137137.3 Ų137.384%0.8481%0.806SS**  -174.5123.6127.29.30000112.7
724A28.3Very low29.5Very low85 Ų85138.4 Ų138.470%0.70281%0.811SS**  trans39.2120.9135.200000123
725V26.6Very low29.3Very low139 Ų139137.3 Ų137.384%0.84280%0.799SS**  60.6113.9124.8-172.30000118.8
726S29.4Very low29.6Very low116 Ų116137.8 Ų137.881%0.81181%0.807SS**  177.7133.4109.6-170.50000112.4
727S27.2Very low29.5Very low107 Ų107138.8 Ų138.875%0.74880%0.804SS**  trans-84.8146.2-178.4510000114.1
728R29.8Very low29.7Very low243 Ų243138.9 Ų138.992%0.91780%0.802SS**  trans-167.2163.8151.7-122-173.1176-164.5-0.6112.5
729P33.2Very low29.8Very low112 Ų112135.5 Ų135.573%0.72779%0.794SS**  -123.4163.9-94.438.9-23.8000114.5
730K25.6Very low29.8Very low210 Ų210137.3 Ų137.391%0.91380%0.795SS**PPolyproline II helixtrans-80.3138.5169.2-78.6178.2175.8174.50111.4
731K32.2Very low29.7Very low208 Ų208139.6 Ų139.690%0.90480%0.796SS**PPolyproline II helixtrans-94.1135.9161.8-90.3-177.81751790110.6
732S29.3Very low29.4Very low118 Ų118140.6 Ų140.683%0.82580%0.796SS**PPolyproline II helixtrans-61.7170.4161.655.20000111.1
733A30Very low29.5Very low70 Ų70144 Ų14458%0.57980%0.801SS**  cis-162.2157.322.400000108.5
734F31.5Very low29.2Very low209 Ų209145.1 Ų145.192%0.91780%0.802SS**  178.3134.5107.2-100.9-75.7000111.5
735T27.4Very low29.1Very low99 Ų99148 Ų14861%0.60780%0.804SS**  trans-86.5153-167-41.40000112.1
736T33.6Very low29Very low150 Ų150148.7 Ų148.792%0.9280%0.802SS**  -165.6140129.513.90000111.3
737D28.5Very low28.7Very low145 Ų145150.6 Ų150.678%0.77580%0.802SS**  trans-86.8167.4-151.1-88.2-49.4000117.7
738P33.4Very low28.9Very low113 Ų113151.3 Ų151.373%0.73480%0.802SS**  trans-104.6149177.738.8-28.4000114.2
739S27.8Very low28.8Very low108 Ų108145.3 Ų145.376%0.75580%0.797SS**  trans-171.1142.7155.858.50000106.4
740L29.6Very low28.4Very low144 Ų144147.7 Ų147.775%0.75480%0.804SS**  cis-156.1141.237.4-105.2105.8000110.7
741M29.4Very low28.4Very low173 Ų173141.1 Ų141.185%0.85280%0.796SS**  trans47.5121.2132.2-68.4-168.6154.700123.2
742N26Very low28.1Very low160 Ų160138.9 Ų138.986%0.85679%0.792SS**  trans-33.1127.4145.1-78.3-31.4000114.6
743Q29.2Very low27.9Very low178 Ų178137.7 Ų137.783%0.83278%0.784SS**  trans-137.7119.9141.5-76.3-172.6-5.900109.3L745Q743-L745 PolarHBondContact O-N 2.84Å
744N25.5Very low28Very low161 Ų161140.2 Ų140.286%0.86179%0.792SS**  trans-62.3124.1165.6-73-48.6000109.2
745L25.2Very low28.2Very low144 Ų144136 Ų13675%0.75478%0.779SS**  trans-131.5103.9159.2-91.2158.8000108.6Q743 L747Q743-L745 PolarHBondContact O-N 2.84Å; L745-L747 PolarHBondContact O-N 3.27Å
746I25.9Very low28.8Very low154 Ų154137.6 Ų137.679%0.7978%0.784SS**  trans-62.3121.2163.7-63168.4000106.9T748I746-T748 HydrophobicContact CG2-CG2 4.43Å
747L23.2Very low28.9Very low157 Ų157139.2 Ų139.282%0.82277%0.773SS**  trans-131.697.9167.5-92.6154.5000108.5L745L745-L747 PolarHBondContact O-N 3.27Å
748T29.6Very low29.6Very low121 Ų121136.5 Ų136.574%0.74276%0.762SS**  trans-68.6137.5162.549.60000109.4I746I746-T748 HydrophobicContact CG2-CG2 4.43Å
749S29.2Very low30.3Very low117 Ų117134.7 Ų134.782%0.81875%0.749SS**  trans-141.5118.3156.8600000111.7
750N24.7Very low31.2Very low162 Ų162133.7 Ų133.787%0.86673%0.734SS**  trans-75.3157.3165.5-68-35.4000110.2
751G25.2Very low31.9Very low72 Ų72130.9 Ų130.974%0.74272%0.719SS**  trans85149.8165.300000114
752I25.7Very low33.1Very low161 Ų161125.6 Ų125.683%0.82670%0.699SS**  cis-155.1142.642-72.9157.1000109.8
753S25.4Very low34.3Very low94 Ų94124.5 Ų124.566%0.65769%0.687SS**  trans-51.1133.3172.2179.30000113.4
754T31.6Very low35.2Very low122 Ų122117.8 Ų117.875%0.74866%0.655SS**  trans-97.577.2173.653.20000110.4
755D35.7Very low36.3Very low120 Ų120114.1 Ų114.164%0.64263%0.632SS**SBendtrans-122.9-16.8171.8-96.4-24.9000115.1T758 T759D755-T758 PolarHBondContact O-OG1 3.41Å; D755-T759 PolarHBondContact O-OG1 3.19Å
756D39.3Very low37.8Very low134 Ų134110.6 Ų110.672%0.71762%0.62SS**SBendtrans-102.9-25.5-177.4-77.2-36000115.8T759D756-T759 PolarHBondContact O-N 3.05Å; D756-T759 PolarHBondContact O-OG1 2.81Å
757R37.6Very low39.3Very low183 Ų183107.1 Ų107.169%0.69160%0.6SS**Hα-helixtrans-75.3-25.7-177.2-81.5-178.6164.8148.6-3.2113.7T759R757-T759 VanDerWaalsContact C-N 3.34Å
758T42.4Very low40.5Very low88 Ų88102 Ų10254%0.5457%0.573SS.*Hα-helixtrans-69.7-32.8174.633.70000111.5D755 I761 S762D755-T758 PolarHBondContact O-OG1 3.41Å; T758-I761 PolarHBondContact O-N 2.8Å; T758-S762 WeakPolarHBondContact O-CB 3.46Å; T758-S762 PolarHBondContact O-N 3Å
759T48.3Very low41.6Very low75 Ų75102.8 Ų102.846%0.4657%0.572SS.*Hα-helixtrans-67.4-44.7-176.4-30.30000112.1D755 D756 R757 I761 S762 K763D755-T759 PolarHBondContact O-OG1 3.19Å; D756-T759 PolarHBondContact O-N 3.05Å; D756-T759 PolarHBondContact O-OG1 2.81Å; R757-T759 VanDerWaalsContact C-N 3.34Å; T759-I761 PolarHBondContact O-N 3.18Å; T759-S762 PolarHBondContact O-N 3.25Å; T759-S762 PolarHBondContact O-OG 3.31Å; T759-K763 WeakPolarHBondContact O-CB 3.44Å; T759-K763 PolarHBondContact O-N 3Å
760I46.4Very low42.7Very low87 Ų87107.4 Ų107.445%0.44658%0.58SS.*Hα-helixtrans-64.8-41178.8-60.1174000111.3K763 F764I760-K763 PolarHBondContact O-N 3.38Å; I760-F764 PolarHBondContact O-N 3.03Å; I760-F764 VanDerWaalsContact O-N 3.14Å
761I45.3Very low43.6Very low86 Ų86104.7 Ų104.744%0.44157%0.566SS.*Hα-helixtrans-68.5-41178.8-63.6173000110.5T758 T759 F764 E765T758-I761 PolarHBondContact O-N 2.8Å; T759-I761 PolarHBondContact O-N 3.18Å; I761-F764 PolarHBondContact O-N 2.85Å; I761-E765 PolarHBondContact O-N 3.15Å; I761-E765 VanDerWaalsContact O-N 3.08Å
762S52.5Low44.6Very low61 Ų61106.4 Ų106.443%0.42756%0.557SS.*Hα-helixtrans-66.4-36.9176.485.20000112.4T758 T759 F764 E765 S766T758-S762 WeakPolarHBondContact O-CB 3.46Å; T758-S762 PolarHBondContact O-N 3Å; T759-S762 PolarHBondContact O-N 3.25Å; T759-S762 PolarHBondContact O-OG 3.31Å; S762-F764 VanDerWaalsContact C-N 3.33Å; S762-F764 PolarHBondContact O-N 3.44Å; S762-E765 PolarHBondContact O-N 2.8Å; S762-S766 WeakPolarHBondContact O-CB 3.29Å; S762-S766 PolarHBondContact O-N 2.76Å; S762-S766 PolarHBondContact O-OG 3.1Å
763K53Low45.6Very low137 Ų137103.4 Ų103.460%0.59654%0.542SS*.Hα-helixtrans-65.7-36.7177.3-163.9174.8-177.8179.60111.8T759 I760 S766 E767T759-K763 WeakPolarHBondContact O-CB 3.44Å; T759-K763 PolarHBondContact O-N 3Å; I760-K763 PolarHBondContact O-N 3.38Å; K763-S766 WeakPolarHBondContact O-CB 3.34Å; K763-S766 PolarHBondContact O-N 3.22Å; K763-E767 WeakPolarHBondContact O-CB 3.36Å; K763-E767 PolarHBondContact O-N 3.37Å
764F46.9Very low46.8Very low37 Ų37103.9 Ų103.916%0.16254%0.535CS..Hα-helixtrans-68.9-43.6174.1-177.4-104.3000113.1I532 L535 Y592 I760 I761 S762 S766 E767 L768I532-F764 HydrophobicContact CB-CD1 4.11Å; I532-F764 HydrophobicContact CB-CE1 3.68Å; I532-F764 HydrophobicContact CB-CZ 4.23Å; I532-F764 HydrophobicContact CD1-CD1 4.18Å; I532-F764 HydrophobicContact CD1-CD2 4.16Å; I532-F764 HydrophobicContact CD1-CE1 3.79Å; I532-F764 HydrophobicContact CD1-CE2 3.77Å; I532-F764 HydrophobicContact CD1-CG 4.35Å; I532-F764 HydrophobicContact CD1-CZ 3.56Å; I532-F764 HydrophobicContact CG1-CD1 4.29Å; I532-F764 HydrophobicContact CG1-CE1 3.57Å; I532-F764 HydrophobicContact CG1-CE2 4.31Å; I532-F764 HydrophobicContact CG1-CZ 3.58Å; L535-F764 HydrophobicContact CD1-CE1 4.12Å; Y592-F764 AromaticContact CD2-CD2 3.77Å; Y592-F764 HydrophobicContact CD2-CD2 3.77Å; Y592-F764 AromaticContact CD2-CE2 3.79Å; Y592-F764 HydrophobicContact CD2-CE2 3.79Å; Y592-F764 AromaticContact CE2-CD2 3.52Å; Y592-F764 HydrophobicContact CE2-CD2 3.52Å; Y592-F764 AromaticContact CE2-CE2 3.68Å; Y592-F764 HydrophobicContact CE2-CE2 3.68Å; I760-F764 PolarHBondContact O-N 3.03Å; I760-F764 VanDerWaalsContact O-N 3.14Å; I761-F764 PolarHBondContact O-N 2.85Å; S762-F764 VanDerWaalsContact C-N 3.33Å; S762-F764 PolarHBondContact O-N 3.44Å; F764-S766 PolarHBondContact O-N 3.45Å; F764-E767 PolarHBondContact O-N 3.13Å; F764-L768 HydrophobicContact CD1-CD1 4.42Å; F764-L768 HydrophobicContact CE1-CD1 3.55Å; F764-L768 HydrophobicContact CE2-CD1 3.95Å; F764-L768 HydrophobicContact CZ-CD1 3.27Å; F764-L768 VanDerWaalsContact O-CB 3.28Å; F764-L768 WeakPolarHBondContact O-CB 3.26Å; F764-L768 PolarHBondContact O-N 2.85Å; F764-L768 VanDerWaalsContact O-N 3.09Å
765E48.8Very low47.8Very low84 Ų84102.8 Ų102.839%0.39352%0.522SS..Hα-helixtrans-61.9-36.6174.1-74.1-178167.800110.8S531 I761 S762 I769S531-E765 VanDerWaalsContact CB-OE1 3.23Å; S531-E765 WeakPolarHBondContact CB-OE1 3.12Å; S531-E765 PolarHBondContact OG-OE1 2.91Å; I761-E765 PolarHBondContact O-N 3.15Å; I761-E765 VanDerWaalsContact O-N 3.08Å; S762-E765 PolarHBondContact O-N 2.8Å; E765-I769 WeakPolarHBondContact O-CB 3.35Å; E765-I769 VanDerWaalsContact O-CD1 3.31Å; E765-I769 WeakPolarHBondContact O-CD1 3.35Å; E765-I769 WeakPolarHBondContact O-CG1 3.37Å; E765-I769 PolarHBondContact O-N 2.66Å; E765-I769 VanDerWaalsContact O-N 3.11Å
766S57.3Low48.6Very low70 Ų70101.7 Ų101.749%0.4951%0.514SS..Hα-helixtrans-66-48.1175.4-51.10000112.7S762 K763 F764 L768 I769 Q770S762-S766 WeakPolarHBondContact O-CB 3.29Å; S762-S766 PolarHBondContact O-N 2.76Å; S762-S766 PolarHBondContact O-OG 3.1Å; K763-S766 WeakPolarHBondContact O-CB 3.34Å; K763-S766 PolarHBondContact O-N 3.22Å; F764-S766 PolarHBondContact O-N 3.45Å; S766-L768 VanDerWaalsContact C-N 3.27Å; S766-L768 PolarHBondContact O-N 3.13Å; S766-I769 PolarHBondContact O-N 3.14Å; S766-Q770 VanDerWaalsContact O-CB 3.26Å; S766-Q770 WeakPolarHBondContact O-CB 3.42Å; S766-Q770 PolarHBondContact O-N 2.77Å
767E57.4Low49.3Very low82 Ų8299.4 Ų99.438%0.38350%0.499SS..Hα-helixtrans-69.7-17.3179.2-81.9-176.6-170.300114.4Y592 K763 F764 Q770Y592-E767 PolarHBondContact OH-OE2 3.42Å; K763-E767 WeakPolarHBondContact O-CB 3.36Å; K763-E767 PolarHBondContact O-N 3.37Å; F764-E767 PolarHBondContact O-N 3.13Å; E767-Q770 VanDerWaalsContact O-OXT 3.08Å
768L48.6Very low50.2Low48 Ų4892.9 Ų92.925%0.25149%0.485SS..Hα-helixtrans-97.6-22.5179.7-153.1142.2000112L535 F764 S766L535-L768 HydrophobicContact CD1-CD1 3.82Å; L535-L768 HydrophobicContact CD1-CD2 3.86Å; L535-L768 HydrophobicContact CD1-CG 4.49Å; L535-L768 HydrophobicContact CD2-CD2 3.98Å; F764-L768 HydrophobicContact CD1-CD1 4.42Å; F764-L768 HydrophobicContact CE1-CD1 3.55Å; F764-L768 HydrophobicContact CE2-CD1 3.95Å; F764-L768 HydrophobicContact CZ-CD1 3.27Å; F764-L768 VanDerWaalsContact O-CB 3.28Å; F764-L768 WeakPolarHBondContact O-CB 3.26Å; F764-L768 PolarHBondContact O-N 2.85Å; F764-L768 VanDerWaalsContact O-N 3.09Å; S766-L768 VanDerWaalsContact C-N 3.27Å; S766-L768 PolarHBondContact O-N 3.13Å
769I52.4Low50.8Low139 Ų13993.3 Ų93.371%0.71348%0.48SS*.Hα-helixtrans-77.5-35.6167-70.6167.5000110.5E765 S766E765-I769 WeakPolarHBondContact O-CB 3.35Å; E765-I769 VanDerWaalsContact O-CD1 3.31Å; E765-I769 WeakPolarHBondContact O-CD1 3.35Å; E765-I769 WeakPolarHBondContact O-CG1 3.37Å; E765-I769 PolarHBondContact O-N 2.66Å; E765-I769 VanDerWaalsContact O-N 3.11Å; S766-I769 PolarHBondContact O-N 3.14Å
770Q52.5Low51Low214 Ų21495 Ų95100%148%0.482SS*.  trans-75.60173.6-159.9173.331.600111.3S766 E767S766-Q770 VanDerWaalsContact O-CB 3.26Å; S766-Q770 WeakPolarHBondContact O-CB 3.42Å; S766-Q770 PolarHBondContact O-N 2.77Å; E767-Q770 VanDerWaalsContact O-OXT 3.08Å

Retrieved 770 of 770 residues in 995.8 ms (Link to these results)

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