A0A087XJY6_POEFO Loading...

NIMA related kinase 3

AlphaFold DB , UniProt , Accession A0A087XJY6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 464 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
1M55.2Low84.3Confident158 Ų15885.4 Ų85.478%0.77844%0.435SS*.  015.60-71.2-171.8-17200113.6
2E61.4Low83.9Confident172 Ų17291.1 Ų91.180%0.80446%0.459SS*.  trans-76.1-25.6-176.2-66.1-179.2167.500113.6R24E2-R24 VanDerWaalsContact O-CD 3.25Å; E2-R24 WeakPolarHBondContact O-CD 3.23Å; E2-R24 PolarHBondContact O-NE 3.22Å; E2-R24 PolarHBondContact O-NH1 3.34Å
3T82.5Confident82.6Confident63 Ų6387 Ų8739%0.38745%0.454SS..SBendtrans-87.1-25-173.8-40.80000114.4R24T3-R24 PolarHBondContact O-N 3.07Å
4Y90.3Very high81Confident19 Ų1985.2 Ų85.28%0.07545%0.452CS..EExtended strand (participates in β ladder)trans-124.2131.7-172.8-64.3-76.5000111.2V21 Q22 C23 Y30 R66 E67 V78Y4-V21 HydrophobicContact CD1-CG2 3.85Å; Y4-V21 HydrophobicContact CG-CG2 4.24Å; Y4-Q22 CarbonylContact C-O 3.59Å; Y4-Q22 WeakPolarHBondContact CA-O 3.16Å; Y4-C23 HydrophobicContact CD1-CB 4.18Å; Y4-C23 HydrophobicContact CE1-CB 3.91Å; Y4-Y30 AromaticContact CE1-CD2 3.9Å; Y4-Y30 HydrophobicContact CE1-CD2 3.9Å; Y4-Y30 HydrophobicContact CE1-CG 4.49Å; Y4-R66 PolarHBondContact OH-NE 2.96Å; Y4-E67 VanDerWaalsContact CE2-OE1 3.23Å; Y4-E67 WeakPolarHBondContact CE2-OE1 3.3Å; Y4-E67 VanDerWaalsContact CZ-OE1 3.25Å; Y4-E67 PolarHBondContact OH-OE1 2.96Å; Y4-V78 HydrophobicContact CE1-CG1 4.2Å; Y4-V78 HydrophobicContact CE2-CG2 4.06Å
5S93.3Very high79.7Confident37 Ų3788.9 Ų88.926%0.25946%0.463SS..EExtended strand (participates in β ladder)trans-97.5131.2168.548.50000110.3V21 Q22S5-V21 CarbonylContact O-C 3.6Å; S5-V21 VanDerWaalsContact O-CA 3.23Å; S5-V21 WeakPolarHBondContact O-CA 3.31Å; S5-V21 WeakPolarHBondContact O-CB 3.49Å; S5-Q22 PolarHBondContact N-O 2.85Å; S5-Q22 PolarHBondContact O-N 2.73Å; S5-Q22 PolarHBondContact OG-O 2.89Å
6Q93.8Very high79.7Confident107 Ų10785.3 Ų85.350%0.545%0.454SS..EExtended strand (participates in β ladder)trans-70.8131.8173.9172.91674.200110.4V19Q6-V19 HydrophobicContact CB-CG1 4.3Å; Q6-V19 HydrophobicContact CG-CG1 3.51Å
7I94.4Very high80.2Confident77 Ų7785.1 Ų85.140%0.39545%0.445SS..EExtended strand (participates in β ladder)trans-98-59.2172.4-62.8168000109.6L20 Q22 K29I7-L20 HydrophobicContact CB-CD2 4.32Å; I7-L20 HydrophobicContact CB-CG 4.17Å; I7-L20 WeakPolarHBondContact CB-O 3.06Å; I7-L20 HydrophobicContact CD1-CD2 4.23Å; I7-L20 HydrophobicContact CD1-CG 4.01Å; I7-L20 HydrophobicContact CG2-CD2 4.18Å; I7-L20 PolarHBondContact N-O 3.15Å; I7-Q22 HydrophobicContact CD1-CB 3.85Å; I7-Q22 HydrophobicContact CG1-CB 4.29Å; I7-K29 HydrophobicContact CD1-CG 4.28Å
8R94Very high80.8Confident146 Ų14681.8 Ų81.855%0.55143%0.432SS*.EExtended strand (participates in β ladder)trans-160.3156-178.766.1179.6-177.2179.71.7111.8I10 V19 L20R8-I10 HydrophobicContact CG-CG2 3.99Å; R8-V19 WeakPolarHBondContact O-CG1 3.15Å; R8-L20 HydrophobicContact CG-CB 4.06Å; R8-L20 HydrophobicContact CG-CD2 4.2Å; R8-L20 PolarHBondContact N-O 3.33Å; R8-L20 PolarHBondContact O-N 3.04Å
9V92.6Very high81.4Confident55 Ų5577.5 Ų77.533%0.33341%0.41SS..EExtended strand (participates in β ladder)trans-75.7133.6167.5-175.90000108.7E12 V19V9-E12 HydrophobicContact CG1-CG 3.66Å; V9-V19 HydrophobicContact CG2-CG2 4.49Å
10I87.3Confident82.1Confident73 Ų7374 Ų7437%0.37439%0.391SS..EExtended strand (participates in β ladder)trans-115.2-11.5-178.859.1171000113.1R8 A18 L20 V31R8-I10 HydrophobicContact CG-CG2 3.99Å; I10-A18 HydrophobicContact CD1-CB 4.47Å; I10-A18 HydrophobicContact CG1-CB 3.94Å; I10-A18 VanDerWaalsContact CG1-O 3.27Å; I10-A18 WeakPolarHBondContact CG1-O 3.45Å; I10-A18 PolarHBondContact N-O 3.14Å; I10-L20 HydrophobicContact CG2-CB 3.76Å; I10-V31 HydrophobicContact CD1-CB 4.46Å; I10-V31 HydrophobicContact CD1-CG1 3.97Å; I10-V31 HydrophobicContact CD1-CG2 3.7Å
11G82.4Confident82.8Confident32 Ų3270.6 Ų70.633%0.3337%0.373SS..EExtended strand (participates in β ladder)trans-167.5147.3171.600000111.6R17 A18G11-R17 CarbonylContact O-C 3.39Å; G11-R17 WeakPolarHBondContact O-CA 3.46Å; G11-A18 PolarHBondContact N-O 3.11Å; G11-A18 PolarHBondContact O-N 3.07Å
12E79.5Confident84.7Confident154 Ų15465.3 Ų65.372%0.7235%0.347SS*.EExtended strand (participates in β ladder)trans-132.6141.8173.9-65-174.9167.200108.6V9 R17V9-E12 HydrophobicContact CG1-CG 3.66Å; E12-R17 HydrophobicContact CG-CB 4.1Å
13G67.5Low86.1Confident38 Ų3857.2 Ų57.239%0.39231%0.309SS..EExtended strand (participates in β ladder)trans-156179.5179.900000112.2F15 G16G13-F15 PolarHBondContact O-N 2.81Å; G13-F15 VanDerWaalsContact O-N 3.08Å; G13-G16 PolarHBondContact N-O 3.1Å; G13-G16 PolarHBondContact O-N 3.34Å; G13-G16 VanDerWaalsContact O-N 3.1Å; G13-G16 VanDerWaalsContact O-O 3.04Å
14S59.6Low86.6Confident62 Ų6260.7 Ų60.743%0.43432%0.315SS..THydrogen-bonded Turntrans-59.4-22.7-177.2520000114.6
15F61.3Low86.5Confident141 Ų14166.3 Ų66.362%0.61835%0.347SS*.THydrogen-bonded Turntrans-98.9-7-177.6-57.6-74.6000113.4G13 I35 Q36G13-F15 PolarHBondContact O-N 2.81Å; G13-F15 VanDerWaalsContact O-N 3.08Å; F15-I35 WeakPolarHBondContact O-CA 3.27Å; F15-Q36 PolarHBondContact O-N 3.33Å
16G79.3Confident86.4Confident30 Ų3067.8 Ų67.831%0.30935%0.354SS..EExtended strand (participates in β ladder)trans140-151.1179.100000113.3G13 E34G13-G16 PolarHBondContact N-O 3.1Å; G13-G16 PolarHBondContact O-N 3.34Å; G13-G16 VanDerWaalsContact O-N 3.1Å; G13-G16 VanDerWaalsContact O-O 3.04Å; G16-E34 CarbonylContact C-O 3.56Å; G16-E34 VanDerWaalsContact CA-O 3.28Å; G16-E34 WeakPolarHBondContact CA-O 3.43Å
17R88.3Confident86.3Confident83 Ų8368 Ų6831%0.31336%0.355SS..EExtended strand (participates in β ladder)trans-128.9147.7-174.967.4175.1-173.6-162.7-4.3112.9G11 E12 V19 E34G11-R17 CarbonylContact O-C 3.39Å; G11-R17 WeakPolarHBondContact O-CA 3.46Å; E12-R17 HydrophobicContact CG-CB 4.1Å; R17-V19 HydrophobicContact CG-CG2 3.86Å; R17-E34 HydrophobicContact CG-CB 4.09Å; R17-E34 HydrophobicContact CG-CG 4.37Å; R17-E34 WeakPolarHBondContact CG-OE2 3.46Å; R17-E34 IonicContact CZ-OE1 2.67Å; R17-E34 IonicContact CZ-OE2 3.74Å; R17-E34 PolarHBondContact N-O 2.88Å; R17-E34 VanDerWaalsContact N-O 3.11Å; R17-E34 IonicContact NE-OE1 2.71Å; R17-E34 PolarHBondContact NE-OE1 3.47Å; R17-E34 IonicContact NE-OE2 3.24Å; R17-E34 PolarHBondContact NE-OE2 3.44Å; R17-E34 VanDerWaalsContact NH2-CD 3.33Å; R17-E34 IonicContact NH2-OE1 2.72Å; R17-E34 PolarHBondContact NH2-OE1 2.65Å; R17-E34 IonicContact NH2-OE2 2.71Å; R17-E34 PolarHBondContact NH2-OE2 3.18Å; R17-E34 PolarHBondContact O-N 3.38Å
18A91Very high86.1Confident25 Ų2567.5 Ų67.521%0.20735%0.351CS..EExtended strand (participates in β ladder)trans-104.8125.8169.700000109I10 G11 V31 L32I10-A18 HydrophobicContact CD1-CB 4.47Å; I10-A18 HydrophobicContact CG1-CB 3.94Å; I10-A18 VanDerWaalsContact CG1-O 3.27Å; I10-A18 WeakPolarHBondContact CG1-O 3.45Å; I10-A18 PolarHBondContact N-O 3.14Å; G11-A18 PolarHBondContact N-O 3.11Å; G11-A18 PolarHBondContact O-N 3.07Å; A18-V31 HydrophobicContact CB-CG1 4.25Å; A18-L32 WeakPolarHBondContact CA-O 3.46Å
19V93.7Very high86.2Confident1 Ų165.8 Ų65.81%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-123128.9-173.2-171.80000109.5Q6 R8 V9 R17 V21 V31 L32Q6-V19 HydrophobicContact CB-CG1 4.3Å; Q6-V19 HydrophobicContact CG-CG1 3.51Å; R8-V19 WeakPolarHBondContact O-CG1 3.15Å; V9-V19 HydrophobicContact CG2-CG2 4.49Å; R17-V19 HydrophobicContact CG-CG2 3.86Å; V19-V21 HydrophobicContact CB-CG1 4.3Å; V19-V21 HydrophobicContact CG1-CG1 3.96Å; V19-V21 PolarHBondContact O-N 2.88Å; V19-V31 CarbonylContact O-C 3.48Å; V19-V31 WeakPolarHBondContact O-CA 3.38Å; V19-L32 HydrophobicContact CB-CB 4.38Å; V19-L32 PolarHBondContact N-O 3.15Å; V19-L32 PolarHBondContact O-N 2.67Å
20L95.3Very high86.3Confident6 Ų664.3 Ų64.33%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-73.6121.7166.9178.962.9000108.5I7 R8 I10 K29 Y30 Y81I7-L20 HydrophobicContact CB-CD2 4.32Å; I7-L20 HydrophobicContact CB-CG 4.17Å; I7-L20 WeakPolarHBondContact CB-O 3.06Å; I7-L20 HydrophobicContact CD1-CD2 4.23Å; I7-L20 HydrophobicContact CD1-CG 4.01Å; I7-L20 HydrophobicContact CG2-CD2 4.18Å; I7-L20 PolarHBondContact N-O 3.15Å; R8-L20 HydrophobicContact CG-CB 4.06Å; R8-L20 HydrophobicContact CG-CD2 4.2Å; R8-L20 PolarHBondContact N-O 3.33Å; R8-L20 PolarHBondContact O-N 3.04Å; I10-L20 HydrophobicContact CG2-CB 3.76Å; L20-K29 HydrophobicContact CD1-CB 4.1Å; L20-K29 HydrophobicContact CD1-CD 4.47Å; L20-K29 HydrophobicContact CD1-CG 4.5Å; L20-Y30 WeakPolarHBondContact CD1-O 3.32Å; L20-Y81 HydrophobicContact CD1-CD1 4.15Å; L20-Y81 HydrophobicContact CD1-CD2 3.56Å; L20-Y81 HydrophobicContact CD1-CE1 4.32Å; L20-Y81 HydrophobicContact CD1-CE2 3.74Å; L20-Y81 HydrophobicContact CD1-CG 3.76Å
21V95.4Very high86.7Confident4 Ų461.7 Ų61.72%0.02432%0.323CS..EExtended strand (participates in β ladder)trans-124.6159.5179.9-56.80000110.8Y4 S5 V19 K29 Y30 L32Y4-V21 HydrophobicContact CD1-CG2 3.85Å; Y4-V21 HydrophobicContact CG-CG2 4.24Å; S5-V21 CarbonylContact O-C 3.6Å; S5-V21 VanDerWaalsContact O-CA 3.23Å; S5-V21 WeakPolarHBondContact O-CA 3.31Å; S5-V21 WeakPolarHBondContact O-CB 3.49Å; V19-V21 HydrophobicContact CB-CG1 4.3Å; V19-V21 HydrophobicContact CG1-CG1 3.96Å; V19-V21 PolarHBondContact O-N 2.88Å; V21-K29 WeakPolarHBondContact O-CA 3.35Å; V21-Y30 PolarHBondContact N-O 2.86Å; V21-Y30 PolarHBondContact O-N 3.37Å; V21-L32 HydrophobicContact CG1-CB 3.73Å; V21-L32 HydrophobicContact CG1-CD2 4.28Å; V21-L32 HydrophobicContact CG2-CB 4.16Å
22Q95.3Very high87.2Confident47 Ų4761 Ų6122%0.2231%0.312CS..EExtended strand (participates in β ladder)trans-119.4131.6173.6-167.3172.22300109.7Y4 S5 I7 R24 Q27 E28Y4-Q22 CarbonylContact C-O 3.59Å; Y4-Q22 WeakPolarHBondContact CA-O 3.16Å; S5-Q22 PolarHBondContact N-O 2.85Å; S5-Q22 PolarHBondContact O-N 2.73Å; S5-Q22 PolarHBondContact OG-O 2.89Å; I7-Q22 HydrophobicContact CD1-CB 3.85Å; I7-Q22 HydrophobicContact CG1-CB 4.29Å; Q22-R24 PolarHBondContact O-N 2.8Å; Q22-Q27 WeakPolarHBondContact CG-O 3.19Å; Q22-Q27 PolarHBondContact NE2-O 2.75Å; Q22-Q27 VanDerWaalsContact NE2-OE1 3.15Å; Q22-E28 WeakPolarHBondContact CA-O 3.41Å
23C92.1Very high87.8Confident2 Ų255.6 Ų55.61%0.01429%0.286CS..EExtended strand (participates in β ladder)trans-68.8123.7172.3-175.80000108.8Y4 N25 T26 Q27 E28 Y30Y4-C23 HydrophobicContact CD1-CB 4.18Å; Y4-C23 HydrophobicContact CE1-CB 3.91Å; C23-N25 PolarHBondContact O-N 3.41Å; C23-T26 WeakPolarHBondContact CB-OG1 3.45Å; C23-Q27 WeakPolarHBondContact O-CA 3.42Å; C23-Q27 PolarHBondContact O-N 3.37Å; C23-E28 PolarHBondContact N-O 2.96Å; C23-Y30 HydrophobicContact CB-CD2 4.24Å; C23-Y30 HydrophobicContact CB-CE2 4.03Å
24R91.8Very high88.9Confident135 Ų13554.4 Ų54.451%0.50927%0.27SS..THydrogen-bonded Turntrans-64.1-32.6-178.7-63.7-172.1-172.1-177.7-4.1112.1E2 T3 Q22 Q27E2-R24 VanDerWaalsContact O-CD 3.25Å; E2-R24 WeakPolarHBondContact O-CD 3.23Å; E2-R24 PolarHBondContact O-NE 3.22Å; E2-R24 PolarHBondContact O-NH1 3.34Å; T3-R24 PolarHBondContact O-N 3.07Å; Q22-R24 PolarHBondContact O-N 2.8Å; R24-Q27 PolarHBondContact O-NE2 2.86Å
25N89.3Confident90.2Very high138 Ų13852.1 Ų52.174%0.73825%0.253SS*.THydrogen-bonded Turntrans-78.8-43.9-176.7-62-3.3000112.6C23C23-N25 PolarHBondContact O-N 3.41Å
26T89.9Confident91.4Very high67 Ų6751.9 Ų51.941%0.41125%0.254SS..THydrogen-bonded Turntrans-101.2-11.6-174.867.40000113.8C23 E28C23-T26 WeakPolarHBondContact CB-OG1 3.45Å; T26-E28 WeakPolarHBondContact CB-OE2 2.99Å; T26-E28 PolarHBondContact O-N 2.79Å; T26-E28 VanDerWaalsContact O-N 3.09Å; T26-E28 WeakPolarHBondContact OG1-CB 3.19Å; T26-E28 WeakPolarHBondContact OG1-CG 3.29Å; T26-E28 PolarHBondContact OG1-N 2.72Å; T26-E28 PolarHBondContact OG1-OE2 3.24Å
27Q91.8Very high91.6Very high112 Ų11251.9 Ų51.952%0.52325%0.247SC..  trans608-170.9-60-64.7-54.100114.5Q22 C23 R24Q22-Q27 WeakPolarHBondContact CG-O 3.19Å; Q22-Q27 PolarHBondContact NE2-O 2.75Å; Q22-Q27 VanDerWaalsContact NE2-OE1 3.15Å; C23-Q27 WeakPolarHBondContact O-CA 3.42Å; C23-Q27 PolarHBondContact O-N 3.37Å; R24-Q27 PolarHBondContact O-NE2 2.86Å
28E91.7Very high91.1Very high66 Ų6649.8 Ų49.831%0.30824%0.244SC..  trans-76.7148.2176.9-65.8168.7141.800111.5Q22 C23 T26 Y30 R66Q22-E28 WeakPolarHBondContact CA-O 3.41Å; C23-E28 PolarHBondContact N-O 2.96Å; T26-E28 WeakPolarHBondContact CB-OE2 2.99Å; T26-E28 PolarHBondContact O-N 2.79Å; T26-E28 VanDerWaalsContact O-N 3.09Å; T26-E28 WeakPolarHBondContact OG1-CB 3.19Å; T26-E28 WeakPolarHBondContact OG1-CG 3.29Å; T26-E28 PolarHBondContact OG1-N 2.72Å; T26-E28 PolarHBondContact OG1-OE2 3.24Å; E28-Y30 HydrophobicContact CB-CE2 3.69Å; E28-Y30 PolarHBondContact OE2-OH 3.41Å; E28-R66 IonicContact OE2-NH1 2.82Å
29K94.4Very high90.4Very high111 Ų11158.7 Ų58.748%0.48328%0.278SS..EExtended strand (participates in β ladder)trans-90.6140.9-179.9-69176.5-176.9170.60111.4I7 L20 V21 Y81I7-K29 HydrophobicContact CD1-CG 4.28Å; L20-K29 HydrophobicContact CD1-CB 4.1Å; L20-K29 HydrophobicContact CD1-CD 4.47Å; L20-K29 HydrophobicContact CD1-CG 4.5Å; V21-K29 WeakPolarHBondContact O-CA 3.35Å; K29-Y81 HydrophobicContact CB-CD1 3.98Å; K29-Y81 HydrophobicContact CB-CG 4.33Å; K29-Y81 HydrophobicContact CD-CD1 4.35Å; K29-Y81 HydrophobicContact CD-CE1 4.39Å
30Y95.2Very high89.5Confident24 Ų2463.3 Ų63.39%0.09430%0.303CS..EExtended strand (participates in β ladder)trans-137.3164.5177.3-66.4-75.8000111.1Y4 L20 V21 C23 E28 R66 V78 M79Y4-Y30 AromaticContact CE1-CD2 3.9Å; Y4-Y30 HydrophobicContact CE1-CD2 3.9Å; Y4-Y30 HydrophobicContact CE1-CG 4.49Å; L20-Y30 WeakPolarHBondContact CD1-O 3.32Å; V21-Y30 PolarHBondContact N-O 2.86Å; V21-Y30 PolarHBondContact O-N 3.37Å; C23-Y30 HydrophobicContact CB-CD2 4.24Å; C23-Y30 HydrophobicContact CB-CE2 4.03Å; E28-Y30 HydrophobicContact CB-CE2 3.69Å; E28-Y30 PolarHBondContact OE2-OH 3.41Å; Y30-R66 VanDerWaalsContact CE1-CD 3.45Å; Y30-R66 PolarHBondContact OH-NH1 3.39Å; Y30-V78 HydrophobicContact CD1-CG1 4.22Å; Y30-V78 HydrophobicContact CG-CG1 3.97Å; Y30-M79 WeakPolarHBondContact CD1-O 3.02Å
31V95Very high88.1Confident18 Ų1871.2 Ų71.211%0.10934%0.339CS..EExtended strand (participates in β ladder)trans-101.5128.2165.1178.70000108.7I10 A18 V19 V78 M79 Y81I10-V31 HydrophobicContact CD1-CB 4.46Å; I10-V31 HydrophobicContact CD1-CG1 3.97Å; I10-V31 HydrophobicContact CD1-CG2 3.7Å; A18-V31 HydrophobicContact CB-CG1 4.25Å; V19-V31 CarbonylContact O-C 3.48Å; V19-V31 WeakPolarHBondContact O-CA 3.38Å; V31-V78 WeakPolarHBondContact O-CA 3.23Å; V31-M79 HydrophobicContact CB-CG 3.81Å; V31-M79 HydrophobicContact CG1-CG 4.28Å; V31-M79 PolarHBondContact N-O 3.45Å; V31-M79 PolarHBondContact O-N 3.45Å; V31-Y81 HydrophobicContact CG2-CD2 3.78Å
32L93.6Very high86.7Confident16 Ų1676 Ų768%0.08437%0.373CS..EExtended strand (participates in β ladder)trans-101.8109168.7-173.177000108A18 V19 V21 E34 F69 C76 I77 V78A18-L32 WeakPolarHBondContact CA-O 3.46Å; V19-L32 HydrophobicContact CB-CB 4.38Å; V19-L32 PolarHBondContact N-O 3.15Å; V19-L32 PolarHBondContact O-N 2.67Å; V21-L32 HydrophobicContact CG1-CB 3.73Å; V21-L32 HydrophobicContact CG1-CD2 4.28Å; V21-L32 HydrophobicContact CG2-CB 4.16Å; L32-E34 HydrophobicContact CD2-CG 4.11Å; L32-E34 HydrophobicContact CG-CG 4.27Å; L32-F69 HydrophobicContact CD1-CE1 4.19Å; L32-F69 HydrophobicContact CD1-CZ 3.87Å; L32-C76 HydrophobicContact CD1-CB 3.87Å; L32-C76 HydrophobicContact CG-CB 4.47Å; L32-I77 WeakPolarHBondContact CA-O 3.19Å; L32-V78 HydrophobicContact CD1-CG2 3.63Å
33K91.6Very high85.3Confident42 Ų4279.7 Ų79.718%0.18339%0.388CS..EExtended strand (participates in β ladder)trans-91.2113.9171.5-170178.9-174.5-177.30108.4I35 E50 C76 I77 M79 D146K33-I35 HydrophobicContact CG-CG1 4.31Å; K33-E50 WeakPolarHBondContact CD-OE1 3.45Å; K33-E50 IonicContact NZ-OE1 2.75Å; K33-E50 PolarHBondContact NZ-OE1 2.94Å; K33-E50 IonicContact NZ-OE2 3.49Å; K33-E50 PolarHBondContact NZ-OE2 3.34Å; K33-C76 CarbonylContact O-C 3.56Å; K33-C76 WeakPolarHBondContact O-CA 2.96Å; K33-I77 HydrophobicContact CB-CB 4.38Å; K33-I77 PolarHBondContact N-O 3.24Å; K33-I77 PolarHBondContact O-N 3.17Å; K33-M79 HydrophobicContact CB-CE 3.77Å; K33-M79 HydrophobicContact CD-CE 4.23Å; K33-D146 IonicContact NZ-OD1 3.68Å; K33-D146 PolarHBondContact NZ-OD1 2.9Å
34E90.8Very high84.3Confident12 Ų1281.1 Ų81.16%0.05640%0.396CS..EExtended strand (participates in β ladder)trans-95.8123.8176-62.7179.3-173.200109.1G16 R17 L32 F74G16-E34 CarbonylContact C-O 3.56Å; G16-E34 VanDerWaalsContact CA-O 3.28Å; G16-E34 WeakPolarHBondContact CA-O 3.43Å; R17-E34 HydrophobicContact CG-CB 4.09Å; R17-E34 HydrophobicContact CG-CG 4.37Å; R17-E34 WeakPolarHBondContact CG-OE2 3.46Å; R17-E34 IonicContact CZ-OE1 2.67Å; R17-E34 IonicContact CZ-OE2 3.74Å; R17-E34 PolarHBondContact N-O 2.88Å; R17-E34 VanDerWaalsContact N-O 3.11Å; R17-E34 IonicContact NE-OE1 2.71Å; R17-E34 PolarHBondContact NE-OE1 3.47Å; R17-E34 IonicContact NE-OE2 3.24Å; R17-E34 PolarHBondContact NE-OE2 3.44Å; R17-E34 VanDerWaalsContact NH2-CD 3.33Å; R17-E34 IonicContact NH2-OE1 2.72Å; R17-E34 PolarHBondContact NH2-OE1 2.65Å; R17-E34 IonicContact NH2-OE2 2.71Å; R17-E34 PolarHBondContact NH2-OE2 3.18Å; R17-E34 PolarHBondContact O-N 3.38Å; L32-E34 HydrophobicContact CD2-CG 4.11Å; L32-E34 HydrophobicContact CG-CG 4.27Å; E34-F74 HydrophobicContact CB-CD1 4.31Å
35I87.7Confident83.1Confident14 Ų1476.5 Ų76.57%0.07238%0.38CS..EExtended strand (participates in β ladder)trans-117.4122.4179.3-59170.5000107.4F15 K33 L37 F74 L75 I77F15-I35 WeakPolarHBondContact O-CA 3.27Å; K33-I35 HydrophobicContact CG-CG1 4.31Å; I35-L37 PolarHBondContact O-N 2.96Å; I35-F74 CarbonylContact O-C 3.49Å; I35-F74 WeakPolarHBondContact O-CA 3.41Å; I35-L75 HydrophobicContact CB-CB 4.35Å; I35-L75 HydrophobicContact CD1-CD2 4.43Å; I35-L75 PolarHBondContact N-O 2.47Å; I35-L75 PolarHBondContact O-N 3.31Å; I35-I77 HydrophobicContact CD1-CD1 3.72Å
36Q86.1Confident82.1Confident136 Ų13673 Ų7364%0.63637%0.366SS*.EExtended strand (participates in β ladder)trans-67125.2179.2-170.5167.833.900110.2F15 F74F15-Q36 PolarHBondContact O-N 3.33Å; Q36-F74 HydrophobicContact CB-CD1 4.22Å; Q36-F74 HydrophobicContact CB-CE1 4.06Å; Q36-F74 HydrophobicContact CG-CE1 4.26Å
37L83.8Confident81.3Confident30 Ų3071 Ų7116%0.15736%0.355CS..PPolyproline II helixtrans-79.2127.8178.7-67.8175.7000109.6I35 L44 E70 G73 L75I35-L37 PolarHBondContact O-N 2.96Å; L37-L44 HydrophobicContact CB-CD1 3.85Å; L37-L44 HydrophobicContact CD1-CD1 4.23Å; L37-L44 HydrophobicContact CD2-CD1 3.69Å; L37-L44 HydrophobicContact CG-CD1 4.11Å; L37-E70 HydrophobicContact CD1-CB 4.37Å; L37-E70 HydrophobicContact CD1-CG 4.09Å; L37-G73 WeakPolarHBondContact CB-O 3.48Å; L37-G73 PolarHBondContact N-O 3.46Å; L37-L75 HydrophobicContact CD1-CB 4.42Å; L37-L75 HydrophobicContact CD2-CB 3.6Å; L37-L75 HydrophobicContact CG-CB 4.09Å
38P78.9Confident80.9Confident39 Ų3966.1 Ų66.125%0.25333%0.331SS..PPolyproline II helixtrans-66.5143.5174.427.3-32.7000109.8N40 K43 S47P38-N40 PolarHBondContact O-N 2.98Å; P38-K43 HydrophobicContact CB-CB 3.95Å; P38-K43 HydrophobicContact CG-CB 3.55Å; P38-S47 WeakPolarHBondContact CD-OG 3.43Å
39K75.9Confident80.3Confident213 Ų21365.6 Ų65.693%0.92633%0.327SS*.SBendtrans-63.6-21.2173.3-63.1-175179.4-177.20112.8
40N73.6Confident79.8Confident98 Ų9860.8 Ų60.852%0.52431%0.306SS..SBendtrans-86.8119.3-179.4-656.8000110.6P38 S42 K43 L44P38-N40 PolarHBondContact O-N 2.98Å; N40-S42 VanDerWaalsContact C-N 3.26Å; N40-S42 PolarHBondContact O-N 3.28Å; N40-K43 PolarHBondContact O-N 3.44Å; N40-L44 PolarHBondContact O-N 3.43Å
41Q67.1Low79.3Confident171 Ų17159.6 Ų59.680%0.79930%0.301SS*.Hα-helixtrans-56.8-35.3-178.5-71.6-178.1-10.400113.6K43 L44Q41-K43 PolarHBondContact O-N 3.05Å; Q41-L44 VanDerWaalsContact O-CB 3.24Å; Q41-L44 WeakPolarHBondContact O-CB 3.35Å; Q41-L44 PolarHBondContact O-N 2.98Å; Q41-L44 VanDerWaalsContact O-N 3.08Å
42S64.4Low78.9Confident105 Ų10558.9 Ų58.973%0.73430%0.297SS*.Hα-helixtrans-64.8-23.4178.759.80000114.4N40N40-S42 VanDerWaalsContact C-N 3.26Å; N40-S42 PolarHBondContact O-N 3.28Å
43K66.9Low78.6Confident124 Ų12458.3 Ų58.354%0.53929%0.294SS..Hα-helixtrans-96-9.3175.7-65.6-172.7178.8-178.10112.8P38 N40 Q41 Q45 S46 S47P38-K43 HydrophobicContact CB-CB 3.95Å; P38-K43 HydrophobicContact CG-CB 3.55Å; N40-K43 PolarHBondContact O-N 3.44Å; Q41-K43 PolarHBondContact O-N 3.05Å; K43-Q45 VanDerWaalsContact C-N 3.34Å; K43-Q45 PolarHBondContact O-N 3.14Å; K43-S46 PolarHBondContact O-N 3.09Å; K43-S46 PolarHBondContact O-OG 3.49Å; K43-S47 PolarHBondContact O-N 3.32Å; K43-S47 PolarHBondContact O-OG 3.06Å
44L70.6Confident78.4Confident33 Ų3356.4 Ų56.417%0.17329%0.286CS..Hα-helixtrans-66-40-178.5-162.172.8000111.4L37 N40 Q41 S46 S47 R48L37-L44 HydrophobicContact CB-CD1 3.85Å; L37-L44 HydrophobicContact CD1-CD1 4.23Å; L37-L44 HydrophobicContact CD2-CD1 3.69Å; L37-L44 HydrophobicContact CG-CD1 4.11Å; N40-L44 PolarHBondContact O-N 3.43Å; Q41-L44 VanDerWaalsContact O-CB 3.24Å; Q41-L44 WeakPolarHBondContact O-CB 3.35Å; Q41-L44 PolarHBondContact O-N 2.98Å; Q41-L44 VanDerWaalsContact O-N 3.08Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 2.73Å; L44-S47 WeakPolarHBondContact O-CB 2.99Å; L44-S47 PolarHBondContact O-N 3.48Å; L44-S47 VanDerWaalsContact O-N 3.12Å; L44-R48 PolarHBondContact O-N 3.46Å
45Q67.6Low78.3Confident38 Ų3856 Ų5618%0.17828%0.284CS..Hα-helixtrans-64.4-36.5178.6-62.4-60.1-400112.4K43 S47 R48 R49K43-Q45 VanDerWaalsContact C-N 3.34Å; K43-Q45 PolarHBondContact O-N 3.14Å; Q45-S47 VanDerWaalsContact C-N 3.3Å; Q45-S47 PolarHBondContact O-N 2.96Å; Q45-R48 PolarHBondContact O-N 3.22Å; Q45-R49 PolarHBondContact O-N 2.87Å
46S68.3Low78.2Confident64 Ų6457.1 Ų57.145%0.44829%0.288SS..Hα-helixtrans-64.2-34.3174.148.80000112.9K43 L44 R49K43-S46 PolarHBondContact O-N 3.09Å; K43-S46 PolarHBondContact O-OG 3.49Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 2.73Å; S46-R49 WeakPolarHBondContact O-CB 2.96Å
47S73.4Confident78.3Confident24 Ų2450.9 Ų50.917%0.16826%0.258CS..Hα-helixtrans-70.9-30177.1-59.60000112.8P38 K43 L44 Q45 L75P38-S47 WeakPolarHBondContact CD-OG 3.43Å; K43-S47 PolarHBondContact O-N 3.32Å; K43-S47 PolarHBondContact O-OG 3.06Å; L44-S47 WeakPolarHBondContact O-CB 2.99Å; L44-S47 PolarHBondContact O-N 3.48Å; L44-S47 VanDerWaalsContact O-N 3.12Å; Q45-S47 VanDerWaalsContact C-N 3.3Å; Q45-S47 PolarHBondContact O-N 2.96Å; S47-L75 VanDerWaalsContact O-CD2 3.22Å; S47-L75 WeakPolarHBondContact O-CD2 3.37Å
48R82.2Confident78.7Confident10 Ų1054.7 Ų54.74%0.03827%0.274CS..Hα-helixtrans-80-16179.3-68.9174.7174.8167.64113.9L44 Q45 E50 A51 V52 E70 L75 L295L44-R48 PolarHBondContact O-N 3.46Å; Q45-R48 PolarHBondContact O-N 3.22Å; R48-E50 VanDerWaalsContact C-N 3.32Å; R48-E50 PolarHBondContact O-N 2.84Å; R48-A51 PolarHBondContact O-N 2.82Å; R48-V52 WeakPolarHBondContact O-CG2 3.23Å; R48-V52 PolarHBondContact O-N 2.76Å; R48-V52 VanDerWaalsContact O-N 3.13Å; R48-E70 IonicContact CZ-OE1 2.78Å; R48-E70 IonicContact NE-OE1 3.58Å; R48-E70 PolarHBondContact NE-OE1 2.89Å; R48-E70 IonicContact NH2-OE1 2.71Å; R48-E70 PolarHBondContact NH2-OE1 3.02Å; R48-E70 IonicContact NH2-OE2 3.85Å; R48-E70 PolarHBondContact NH2-OE2 3.14Å; R48-L75 HydrophobicContact CG-CD2 4.26Å; R48-L295 HydrophobicContact CG-CD2 4.25Å; R48-L295 PolarHBondContact NH1-O 3.37Å
49R80Confident79.4Confident55 Ų5555.1 Ų55.121%0.20827%0.272CS..Hα-helixtrans-52.1-46.5-177.7-81.7173.7-176.8-160.3-3.8113.4Q45 S46 A51 V52 L53 F461Q45-R49 PolarHBondContact O-N 2.87Å; S46-R49 WeakPolarHBondContact O-CB 2.96Å; R49-A51 PolarHBondContact O-N 3.39Å; R49-V52 PolarHBondContact O-N 3.28Å; R49-L53 WeakPolarHBondContact O-CB 3.32Å; R49-L53 WeakPolarHBondContact O-CG 3.48Å; R49-L53 PolarHBondContact O-N 2.85Å; R49-F461 HydrophobicContact CB-CE1 4.43Å; R49-F461 HydrophobicContact CB-CZ 4.13Å; R49-F461 HydrophobicContact CG-CD1 4.05Å; R49-F461 HydrophobicContact CG-CE1 3.38Å; R49-F461 HydrophobicContact CG-CE2 3.9Å; R49-F461 HydrophobicContact CG-CZ 3.34Å
50E83.8Confident80.4Confident10 Ų1047.7 Ų47.75%0.04725%0.246CC..Hα-helixtrans-58.5-48.8-178.6-178.3174.617500111.3K33 R48 V52 L53 L54 I77 F147K33-E50 WeakPolarHBondContact CD-OE1 3.45Å; K33-E50 IonicContact NZ-OE1 2.75Å; K33-E50 PolarHBondContact NZ-OE1 2.94Å; K33-E50 IonicContact NZ-OE2 3.49Å; K33-E50 PolarHBondContact NZ-OE2 3.34Å; R48-E50 VanDerWaalsContact C-N 3.32Å; R48-E50 PolarHBondContact O-N 2.84Å; E50-V52 VanDerWaalsContact C-N 3.33Å; E50-V52 PolarHBondContact O-N 3.1Å; E50-L53 PolarHBondContact O-N 3.3Å; E50-L54 WeakPolarHBondContact O-CB 3.24Å; E50-L54 PolarHBondContact O-N 2.77Å; E50-I77 HydrophobicContact CB-CD1 4.15Å; E50-I77 HydrophobicContact CG-CD1 3.99Å; E50-F147 HydrophobicContact CG-CB 4.03Å
51A85.3Confident81.5Confident0 Ų043.3 Ų43.30%022%0.222CC..Hα-helixtrans-61.3-43.3179.400000111.5R48 R49 S55 A68 L75 I77 L295R48-A51 PolarHBondContact O-N 2.82Å; R49-A51 PolarHBondContact O-N 3.39Å; A51-S55 WeakPolarHBondContact O-CB 3.13Å; A51-S55 PolarHBondContact O-N 3.2Å; A51-S55 PolarHBondContact O-OG 2.87Å; A51-A68 HydrophobicContact CB-CB 4.15Å; A51-L75 HydrophobicContact CB-CD2 4.47Å; A51-I77 HydrophobicContact CB-CD1 3.81Å; A51-I77 HydrophobicContact CB-CG1 4.02Å; A51-L295 HydrophobicContact CB-CD1 4.08Å
52V86.1Confident82.9Confident3 Ų335.3 Ų35.32%0.01819%0.185CC..Hα-helixtrans-64.1-51179.3174.90000111R48 R49 E50 S55 R56 L295 V457 F461R48-V52 WeakPolarHBondContact O-CG2 3.23Å; R48-V52 PolarHBondContact O-N 2.76Å; R48-V52 VanDerWaalsContact O-N 3.13Å; R49-V52 PolarHBondContact O-N 3.28Å; E50-V52 VanDerWaalsContact C-N 3.33Å; E50-V52 PolarHBondContact O-N 3.1Å; V52-S55 PolarHBondContact O-N 3.35Å; V52-S55 PolarHBondContact O-OG 3.18Å; V52-R56 WeakPolarHBondContact O-CG 3.48Å; V52-L295 HydrophobicContact CG2-CD1 4.31Å; V52-V457 HydrophobicContact CG1-CG2 4.22Å; V52-F461 HydrophobicContact CB-CZ 4.38Å; V52-F461 HydrophobicContact CG1-CZ 4.39Å
53L86.8Confident84.4Confident3 Ų330.5 Ų30.52%0.01615%0.151CC..Hα-helixtrans-62.9-50.2179.9-70.5176.1000111.1R49 E50 S55 R56 M57 V124 A150 V152R49-L53 WeakPolarHBondContact O-CB 3.32Å; R49-L53 WeakPolarHBondContact O-CG 3.48Å; R49-L53 PolarHBondContact O-N 2.85Å; E50-L53 PolarHBondContact O-N 3.3Å; L53-S55 VanDerWaalsContact C-N 3.3Å; L53-S55 PolarHBondContact O-N 3.05Å; L53-R56 PolarHBondContact O-N 2.73Å; L53-M57 WeakPolarHBondContact O-CG 3.22Å; L53-M57 PolarHBondContact O-N 3.21Å; L53-V124 HydrophobicContact CD2-CG2 4.15Å; L53-A150 HydrophobicContact CD1-CB 3.76Å; L53-V152 HydrophobicContact CD2-CG2 4.13Å
54L88.3Confident85.6Confident2 Ų226.7 Ų26.71%0.0114%0.143CC..Hα-helixtrans-61.2-38.4-178.7-171.355.3000111.9E50 R56 M57 I62 V63 F65 I77 M79 F147E50-L54 WeakPolarHBondContact O-CB 3.24Å; E50-L54 PolarHBondContact O-N 2.77Å; L54-R56 PolarHBondContact O-N 3.49Å; L54-R56 VanDerWaalsContact O-N 3.14Å; L54-M57 PolarHBondContact O-N 3.23Å; L54-M57 VanDerWaalsContact O-N 3.15Å; L54-I62 HydrophobicContact CD1-CG2 4.37Å; L54-V63 VanDerWaalsContact CD1-O 3.27Å; L54-V63 WeakPolarHBondContact CD1-O 3.49Å; L54-F65 HydrophobicContact CB-CD2 4.48Å; L54-F65 HydrophobicContact CD2-CD2 4.49Å; L54-F65 HydrophobicContact CG-CB 4.11Å; L54-F65 HydrophobicContact CG-CD2 4.35Å; L54-I77 HydrophobicContact CD2-CG2 4.42Å; L54-M79 HydrophobicContact CD2-CE 4.14Å; L54-F147 HydrophobicContact CD1-CD2 3.56Å; L54-F147 HydrophobicContact CD1-CE2 3.6Å; L54-F147 HydrophobicContact CD1-CG 4.3Å; L54-F147 HydrophobicContact CD1-CZ 4.38Å
55S87.1Confident86.7Confident3 Ų325.6 Ų25.62%0.02114%0.137CC..Hα-helixtrans-62-20.2176.375.80000114.3A51 V52 L53 W283A51-S55 WeakPolarHBondContact O-CB 3.13Å; A51-S55 PolarHBondContact O-N 3.2Å; A51-S55 PolarHBondContact O-OG 2.87Å; V52-S55 PolarHBondContact O-N 3.35Å; V52-S55 PolarHBondContact O-OG 3.18Å; L53-S55 VanDerWaalsContact C-N 3.3Å; L53-S55 PolarHBondContact O-N 3.05Å; S55-W283 WeakPolarHBondContact O-CH2 3.35Å; S55-W283 VanDerWaalsContact O-CZ2 3.25Å; S55-W283 WeakPolarHBondContact O-CZ2 3.35Å
56R86.3Confident87.8Confident39 Ų3926.9 Ų26.915%0.14714%0.14CC..THydrogen-bonded Turntrans-100-3.4-179.8-64-179.8-176-134.3-4.3113.4V52 L53 L54 K122 W453 E456 V457V52-R56 WeakPolarHBondContact O-CG 3.48Å; L53-R56 PolarHBondContact O-N 2.73Å; L54-R56 PolarHBondContact O-N 3.49Å; L54-R56 VanDerWaalsContact O-N 3.14Å; R56-K122 WeakPolarHBondContact O-CE 3.41Å; R56-K122 PolarHBondContact O-NZ 2.69Å; R56-W453 PolarHBondContact NH1-O 3.14Å; R56-E456 IonicContact CZ-OE2 3.77Å; R56-E456 VanDerWaalsContact CZ-OE2 3.3Å; R56-E456 IonicContact NH1-OE2 2.85Å; R56-E456 PolarHBondContact NH1-OE2 3.14Å; R56-E456 IonicContact NH2-OE2 2.85Å; R56-E456 PolarHBondContact NH2-OE2 3.3Å; R56-V457 VanDerWaalsContact NH1-CG2 3.29Å
57M88.8Confident88.8Confident5 Ų527 Ų273%0.02513%0.134CC..  trans-99.6107.3-179.2-65.8-64.1174.600110.2L53 L54 I62 I119 K122 V124 F147L53-M57 WeakPolarHBondContact O-CG 3.22Å; L53-M57 PolarHBondContact O-N 3.21Å; L54-M57 PolarHBondContact O-N 3.23Å; L54-M57 VanDerWaalsContact O-N 3.15Å; M57-I62 HydrophobicContact CB-CD1 4.2Å; M57-I62 HydrophobicContact CB-CG2 4.08Å; M57-I119 HydrophobicContact SD-CG1 4.28Å; M57-K122 HydrophobicContact CE-CB 4.12Å; M57-K122 HydrophobicContact CE-CD 4Å; M57-K122 HydrophobicContact SD-CD 3.48Å; M57-K122 WeakPolarHBondContact SD-CD 3.41Å; M57-V124 HydrophobicContact CE-CB 3.71Å; M57-V124 HydrophobicContact CE-CG1 3.97Å; M57-V124 HydrophobicContact CE-CG2 3.53Å; M57-F147 HydrophobicContact CB-CZ 4.37Å; M57-F147 HydrophobicContact CE-CE1 4.38Å; M57-F147 HydrophobicContact CG-CE1 3.75Å; M57-F147 HydrophobicContact CG-CZ 4.03Å; M57-F147 HydrophobicContact SD-CE1 4.49Å
58K91.4Very high89.6Confident110 Ų11026.5 Ų26.548%0.47813%0.13SC..  trans-120.9105.8177.6-64.2-163.2-155.6-174.40110.4H118 W283K58-H118 PolarHBondContact N-NE2 3.07Å; K58-H118 PolarHBondContact O-CE1 3.19Å; K58-H118 PolarHBondContact O-NE2 3.06Å; K58-W283 HydrophobicContact CD-CE3 4.25Å; K58-W283 HydrophobicContact CD-CZ3 4.16Å; K58-W283 VanDerWaalsContact CE-CH2 3.47Å
59H94.7Very high89.9Confident47 Ų4728.9 Ų28.922%0.21814%0.141CC..  trans-156.4143.5178.9-169.8-94.6000109.3N61 I62 A114 H118H59-N61 PolarHBondContact CE1-OD1 3.47Å; H59-N61 PolarHBondContact ND1-N 3.36Å; H59-N61 PolarHBondContact O-N 3.09Å; H59-N61 VanDerWaalsContact O-N 3.11Å; H59-I62 HydrophobicContact CB-CB 4.14Å; H59-I62 HydrophobicContact CB-CD1 3.69Å; H59-I62 HydrophobicContact CB-CG1 3.85Å; H59-I62 PolarHBondContact O-N 3.27Å; H59-A114 VanDerWaalsContact CE1-C 3.47Å; H59-H118 HydrophobicContact CB-CB 4.28Å; H59-H118 AromaticContact CD2-CG 3.95Å
60P95.4Very high90.3Very high57 Ų5728.4 Ų28.437%0.3714%0.141SC..THydrogen-bonded Turntrans-55.3-31.3178.120.7-34.2000113.2K143P60-K143 PolarHBondContact O-NZ 3.34Å
61N97Very high90.3Very high7 Ų729.4 Ų29.44%0.03715%0.154CC..THydrogen-bonded Turntrans-100.222.6179.7-51.4111.2000114.4H59 Q111 V142 K143 L144H59-N61 PolarHBondContact CE1-OD1 3.47Å; H59-N61 PolarHBondContact ND1-N 3.36Å; H59-N61 PolarHBondContact O-N 3.09Å; H59-N61 VanDerWaalsContact O-N 3.11Å; N61-Q111 HydrophobicContact CB-CB 4.45Å; N61-Q111 WeakPolarHBondContact CB-O 3.36Å; N61-Q111 WeakPolarHBondContact ND2-CB 3.44Å; N61-Q111 WeakPolarHBondContact ND2-CG 3.19Å; N61-V142 VanDerWaalsContact CA-O 3.29Å; N61-V142 WeakPolarHBondContact CA-O 3.43Å; N61-V142 WeakPolarHBondContact CB-O 3.33Å; N61-V142 PolarHBondContact ND2-O 2.85Å; N61-K143 WeakPolarHBondContact O-CA 3.43Å; N61-L144 PolarHBondContact O-N 2.85Å
62I96.6Very high90.2Very high2 Ų236 Ų361%0.0119%0.189CC..BIsolated β-bridgetrans-123.4142.7167.9-62.3173.1000107.5L54 M57 H59 A64 H118 I119 L144 F147L54-I62 HydrophobicContact CD1-CG2 4.37Å; M57-I62 HydrophobicContact CB-CD1 4.2Å; M57-I62 HydrophobicContact CB-CG2 4.08Å; H59-I62 HydrophobicContact CB-CB 4.14Å; H59-I62 HydrophobicContact CB-CD1 3.69Å; H59-I62 HydrophobicContact CB-CG1 3.85Å; H59-I62 PolarHBondContact O-N 3.27Å; I62-A64 PolarHBondContact O-N 2.86Å; I62-H118 HydrophobicContact CD1-CB 4.35Å; I62-I119 HydrophobicContact CD1-CD1 4.09Å; I62-I119 HydrophobicContact CD1-CG1 3.66Å; I62-I119 HydrophobicContact CG1-CD1 4.46Å; I62-L144 CarbonylContact C-O 3.55Å; I62-L144 WeakPolarHBondContact CA-O 3.48Å; I62-F147 HydrophobicContact CG2-CE2 3.72Å; I62-F147 HydrophobicContact CG2-CZ 3.69Å
63V95.3Very high90.2Very high5 Ų538.1 Ų38.13%0.0321%0.212CC..PPolyproline II helixtrans-59.5122174.5174.30000109.3L54 F65 M79 E80 F135 K143 L144L54-V63 VanDerWaalsContact CD1-O 3.27Å; L54-V63 WeakPolarHBondContact CD1-O 3.49Å; V63-F65 PolarHBondContact O-N 3.41Å; V63-M79 HydrophobicContact CG1-CB 3.91Å; V63-M79 HydrophobicContact CG1-CG 4.06Å; V63-M79 HydrophobicContact CG1-SD 4.08Å; V63-E80 VanDerWaalsContact CA-OE1 3.26Å; V63-E80 WeakPolarHBondContact CA-OE1 3.45Å; V63-E80 HydrophobicContact CG1-CG 3.84Å; V63-F135 HydrophobicContact CG2-CD2 3.76Å; V63-F135 HydrophobicContact CG2-CE2 4.3Å; V63-K143 HydrophobicContact CG2-CB 3.91Å; V63-L144 WeakPolarHBondContact CG2-O 3.21Å; V63-L144 PolarHBondContact N-O 2.71Å
64A93.5Very high90.2Very high44 Ų4441 Ų4136%0.36422%0.224SC..PPolyproline II helixtrans-73.7125.3-176.600000111I62 M79 E80I62-A64 PolarHBondContact O-N 2.86Å; A64-M79 WeakPolarHBondContact O-CA 3.36Å; A64-E80 HydrophobicContact CB-CB 4.23Å; A64-E80 HydrophobicContact CB-CG 4.03Å; A64-E80 WeakPolarHBondContact CB-OE1 3.25Å; A64-E80 PolarHBondContact N-OE1 3.27Å; A64-E80 PolarHBondContact O-N 3.48Å
65F92.7Very high90.3Very high9 Ų941 Ų414%0.03922%0.224CC..EExtended strand (participates in β ladder)trans-67.5133.3166.1-177.5-99.9000110.5L54 V63 A68 I77 W283 V291L54-F65 HydrophobicContact CB-CD2 4.48Å; L54-F65 HydrophobicContact CD2-CD2 4.49Å; L54-F65 HydrophobicContact CG-CB 4.11Å; L54-F65 HydrophobicContact CG-CD2 4.35Å; V63-F65 PolarHBondContact O-N 3.41Å; F65-A68 HydrophobicContact CE2-CB 3.91Å; F65-A68 HydrophobicContact CZ-CB 3.8Å; F65-I77 HydrophobicContact CD2-CG2 4.08Å; F65-I77 HydrophobicContact CE2-CG2 3.96Å; F65-W283 HydrophobicContact CD1-CZ2 4.37Å; F65-W283 AromaticContact CD1-NE1 3.84Å; F65-W283 VanDerWaalsContact O-CD1 3.25Å; F65-W283 PolarHBondContact O-NE1 2.89Å; F65-W283 VanDerWaalsContact O-NE1 3.09Å; F65-V291 HydrophobicContact CE1-CG2 4.25Å; F65-V291 HydrophobicContact CZ-CB 4.47Å; F65-V291 HydrophobicContact CZ-CG1 4Å; F65-V291 HydrophobicContact CZ-CG2 4.22Å
66R90.9Very high90.5Very high66 Ų6641.2 Ų41.225%0.24923%0.226CC..EExtended strand (participates in β ladder)trans-101.2-64.4170.2-178.9166.6166.2131-3.1110.6Y4 E28 Y30 V78Y4-R66 PolarHBondContact OH-NE 2.96Å; E28-R66 IonicContact OE2-NH1 2.82Å; Y30-R66 VanDerWaalsContact CE1-CD 3.45Å; Y30-R66 PolarHBondContact OH-NH1 3.39Å; R66-V78 HydrophobicContact CB-CB 4.23Å; R66-V78 HydrophobicContact CB-CG1 4.03Å; R66-V78 WeakPolarHBondContact CB-O 3.45Å; R66-V78 HydrophobicContact CG-CG1 4.31Å; R66-V78 PolarHBondContact N-O 2.89Å
67E89.5Confident90.7Very high67 Ų6739.4 Ų39.431%0.31322%0.219SC..EExtended strand (participates in β ladder)trans-157.5168.4-179.764.3-177.9132.800111.1Y4 V78Y4-E67 VanDerWaalsContact CE2-OE1 3.23Å; Y4-E67 WeakPolarHBondContact CE2-OE1 3.3Å; Y4-E67 VanDerWaalsContact CZ-OE1 3.25Å; Y4-E67 PolarHBondContact OH-OE1 2.96Å; E67-V78 HydrophobicContact CG-CB 3.81Å; E67-V78 HydrophobicContact CG-CG2 3.67Å; E67-V78 PolarHBondContact N-O 3.15Å; E67-V78 PolarHBondContact O-N 3.09Å
68A89.9Confident90.9Very high12 Ų1239.1 Ų39.110%0.09922%0.218CC..EExtended strand (participates in β ladder)trans-140.7145.1170.600000110.5A51 F65 C76 V291A51-A68 HydrophobicContact CB-CB 4.15Å; F65-A68 HydrophobicContact CE2-CB 3.91Å; F65-A68 HydrophobicContact CZ-CB 3.8Å; A68-C76 CarbonylContact C-O 3.58Å; A68-C76 WeakPolarHBondContact CA-O 3.45Å; A68-V291 HydrophobicContact CB-CG1 4.19Å
69F88.5Confident91.1Very high60 Ų6034.8 Ų34.826%0.26320%0.199SC..EExtended strand (participates in β ladder)trans-147.1161.8178.156-92.5000110.5L32 C76 V78L32-F69 HydrophobicContact CD1-CE1 4.19Å; L32-F69 HydrophobicContact CD1-CZ 3.87Å; F69-C76 HydrophobicContact CD1-CB 4.41Å; F69-C76 HydrophobicContact CD2-CB 3.75Å; F69-C76 HydrophobicContact CE1-CB 4.12Å; F69-C76 HydrophobicContact CE2-CB 3.42Å; F69-C76 VanDerWaalsContact CE2-CB 3.42Å; F69-C76 HydrophobicContact CG-CB 4.24Å; F69-C76 HydrophobicContact CZ-CB 3.62Å; F69-C76 PolarHBondContact N-O 2.84Å; F69-C76 WeakPolarHBondContact O-CB 3.06Å; F69-C76 PolarHBondContact O-N 3.2Å; F69-V78 HydrophobicContact CD1-CG2 4.48Å; F69-V78 HydrophobicContact CE1-CG2 3.75Å
70E88.5Confident91Very high46 Ų4634.7 Ų34.722%0.21520%0.199CC..EExtended strand (participates in β ladder)trans-114.3136.2176.5-63.2177.1155.300109.1L37 R48 F74 L75 K298L37-E70 HydrophobicContact CD1-CB 4.37Å; L37-E70 HydrophobicContact CD1-CG 4.09Å; R48-E70 IonicContact CZ-OE1 2.78Å; R48-E70 IonicContact NE-OE1 3.58Å; R48-E70 PolarHBondContact NE-OE1 2.89Å; R48-E70 IonicContact NH2-OE1 2.71Å; R48-E70 PolarHBondContact NH2-OE1 3.02Å; R48-E70 IonicContact NH2-OE2 3.85Å; R48-E70 PolarHBondContact NH2-OE2 3.14Å; E70-F74 VanDerWaalsContact CA-O 3.28Å; E70-F74 WeakPolarHBondContact CA-O 3.38Å; E70-L75 HydrophobicContact CG-CD1 4Å; E70-K298 IonicContact OE2-NZ 3.77Å; E70-K298 PolarHBondContact OE2-NZ 3.33Å
71G83.1Confident91Very high30 Ų3035 Ų3531%0.30919%0.193SC..EExtended strand (participates in β ladder)trans-163.9144.6178.700000110.7G73 F74G71-G73 PolarHBondContact O-N 2.75Å; G71-F74 PolarHBondContact N-O 2.95Å; G71-F74 PolarHBondContact O-N 3.29Å
72D84.4Confident90.9Very high139 Ų13935.1 Ų35.174%0.74320%0.195SC*.THydrogen-bonded Turntrans54.330.1173.5-52.2-44.1000114.8F74D72-F74 HydrophobicContact CB-CD2 4.43Å; D72-F74 WeakPolarHBondContact O-CD2 3.49Å; D72-F74 WeakPolarHBondContact O-CE2 3.35Å
73G84.9Confident90.8Very high47 Ų4736.2 Ų36.249%0.48521%0.206SC..THydrogen-bonded Turntrans80.813-177.700000114.9L37 G71L37-G73 WeakPolarHBondContact CB-O 3.48Å; L37-G73 PolarHBondContact N-O 3.46Å; G71-G73 PolarHBondContact O-N 2.75Å
74F88Confident90.7Very high65 Ų6537 Ų3729%0.28522%0.216SC..EExtended strand (participates in β ladder)trans-118.8146.1176.9-61.2-88.8000111.6E34 I35 Q36 E70 G71 D72E34-F74 HydrophobicContact CB-CD1 4.31Å; I35-F74 CarbonylContact O-C 3.49Å; I35-F74 WeakPolarHBondContact O-CA 3.41Å; Q36-F74 HydrophobicContact CB-CD1 4.22Å; Q36-F74 HydrophobicContact CB-CE1 4.06Å; Q36-F74 HydrophobicContact CG-CE1 4.26Å; E70-F74 VanDerWaalsContact CA-O 3.28Å; E70-F74 WeakPolarHBondContact CA-O 3.38Å; G71-F74 PolarHBondContact N-O 2.95Å; G71-F74 PolarHBondContact O-N 3.29Å; D72-F74 HydrophobicContact CB-CD2 4.43Å; D72-F74 WeakPolarHBondContact O-CD2 3.49Å; D72-F74 WeakPolarHBondContact O-CE2 3.35Å
75L89.8Confident90.7Very high0 Ų035.9 Ų35.90%021%0.208CC..EExtended strand (participates in β ladder)trans-90.9121.9158.8171.566.5000107.4I35 L37 S47 R48 A51 E70 I77 L295I35-L75 HydrophobicContact CB-CB 4.35Å; I35-L75 HydrophobicContact CD1-CD2 4.43Å; I35-L75 PolarHBondContact N-O 2.47Å; I35-L75 PolarHBondContact O-N 3.31Å; L37-L75 HydrophobicContact CD1-CB 4.42Å; L37-L75 HydrophobicContact CD2-CB 3.6Å; L37-L75 HydrophobicContact CG-CB 4.09Å; S47-L75 VanDerWaalsContact O-CD2 3.22Å; S47-L75 WeakPolarHBondContact O-CD2 3.37Å; R48-L75 HydrophobicContact CG-CD2 4.26Å; A51-L75 HydrophobicContact CB-CD2 4.47Å; E70-L75 HydrophobicContact CG-CD1 4Å; L75-I77 HydrophobicContact CD2-CD1 4.42Å; L75-I77 HydrophobicContact CD2-CG1 4.47Å; L75-I77 HydrophobicContact CG-CG1 4.22Å; L75-L295 HydrophobicContact CD1-CD2 4.48Å
76C91.3Very high90.8Very high9 Ų936.3 Ų36.36%0.06121%0.211CC..EExtended strand (participates in β ladder)trans-108.7119.2-179.1-67.90000109.2L32 K33 A68 F69L32-C76 HydrophobicContact CD1-CB 3.87Å; L32-C76 HydrophobicContact CG-CB 4.47Å; K33-C76 CarbonylContact O-C 3.56Å; K33-C76 WeakPolarHBondContact O-CA 2.96Å; A68-C76 CarbonylContact C-O 3.58Å; A68-C76 WeakPolarHBondContact CA-O 3.45Å; F69-C76 HydrophobicContact CD1-CB 4.41Å; F69-C76 HydrophobicContact CD2-CB 3.75Å; F69-C76 HydrophobicContact CE1-CB 4.12Å; F69-C76 HydrophobicContact CE2-CB 3.42Å; F69-C76 VanDerWaalsContact CE2-CB 3.42Å; F69-C76 HydrophobicContact CG-CB 4.24Å; F69-C76 HydrophobicContact CZ-CB 3.62Å; F69-C76 PolarHBondContact N-O 2.84Å; F69-C76 WeakPolarHBondContact O-CB 3.06Å; F69-C76 PolarHBondContact O-N 3.2Å
77I91.5Very high91.1Very high0 Ų033.2 Ų33.20%020%0.199CC..EExtended strand (participates in β ladder)trans-109.2116.4177.8-52.6176.8000108.1L32 K33 I35 E50 A51 L54 F65 L75 M79L32-I77 WeakPolarHBondContact CA-O 3.19Å; K33-I77 HydrophobicContact CB-CB 4.38Å; K33-I77 PolarHBondContact N-O 3.24Å; K33-I77 PolarHBondContact O-N 3.17Å; I35-I77 HydrophobicContact CD1-CD1 3.72Å; E50-I77 HydrophobicContact CB-CD1 4.15Å; E50-I77 HydrophobicContact CG-CD1 3.99Å; A51-I77 HydrophobicContact CB-CD1 3.81Å; A51-I77 HydrophobicContact CB-CG1 4.02Å; L54-I77 HydrophobicContact CD2-CG2 4.42Å; F65-I77 HydrophobicContact CD2-CG2 4.08Å; F65-I77 HydrophobicContact CE2-CG2 3.96Å; L75-I77 HydrophobicContact CD2-CD1 4.42Å; L75-I77 HydrophobicContact CD2-CG1 4.47Å; L75-I77 HydrophobicContact CG-CG1 4.22Å; I77-M79 HydrophobicContact CB-CE 4.08Å; I77-M79 HydrophobicContact CG2-CE 3.67Å
78V93Very high91.3Very high0 Ų030.9 Ų30.90%019%0.189CC..EExtended strand (participates in β ladder)trans-92.4124.9174.9-170.30000108.8Y4 Y30 V31 L32 R66 E67 F69Y4-V78 HydrophobicContact CE1-CG1 4.2Å; Y4-V78 HydrophobicContact CE2-CG2 4.06Å; Y30-V78 HydrophobicContact CD1-CG1 4.22Å; Y30-V78 HydrophobicContact CG-CG1 3.97Å; V31-V78 WeakPolarHBondContact O-CA 3.23Å; L32-V78 HydrophobicContact CD1-CG2 3.63Å; R66-V78 HydrophobicContact CB-CB 4.23Å; R66-V78 HydrophobicContact CB-CG1 4.03Å; R66-V78 WeakPolarHBondContact CB-O 3.45Å; R66-V78 HydrophobicContact CG-CG1 4.31Å; R66-V78 PolarHBondContact N-O 2.89Å; E67-V78 HydrophobicContact CG-CB 3.81Å; E67-V78 HydrophobicContact CG-CG2 3.67Å; E67-V78 PolarHBondContact N-O 3.15Å; E67-V78 PolarHBondContact O-N 3.09Å; F69-V78 HydrophobicContact CD1-CG2 4.48Å; F69-V78 HydrophobicContact CE1-CG2 3.75Å
79M94.4Very high91.5Very high19 Ų1934.7 Ų34.79%0.09421%0.205CC..EExtended strand (participates in β ladder)trans-137.8162.1-179.164.7-168.770.800111.3Y30 V31 K33 L54 V63 A64 I77Y30-M79 WeakPolarHBondContact CD1-O 3.02Å; V31-M79 HydrophobicContact CB-CG 3.81Å; V31-M79 HydrophobicContact CG1-CG 4.28Å; V31-M79 PolarHBondContact N-O 3.45Å; V31-M79 PolarHBondContact O-N 3.45Å; K33-M79 HydrophobicContact CB-CE 3.77Å; K33-M79 HydrophobicContact CD-CE 4.23Å; L54-M79 HydrophobicContact CD2-CE 4.14Å; V63-M79 HydrophobicContact CG1-CB 3.91Å; V63-M79 HydrophobicContact CG1-CG 4.06Å; V63-M79 HydrophobicContact CG1-SD 4.08Å; A64-M79 WeakPolarHBondContact O-CA 3.36Å; I77-M79 HydrophobicContact CB-CE 4.08Å; I77-M79 HydrophobicContact CG2-CE 3.67Å
80E93.7Very high91.8Very high44 Ų4434.4 Ų34.421%0.20620%0.202CC..EExtended strand (participates in β ladder)trans-57.8146.1179.570.9178.5141.900112.4V63 A64 K143V63-E80 VanDerWaalsContact CA-OE1 3.26Å; V63-E80 WeakPolarHBondContact CA-OE1 3.45Å; V63-E80 HydrophobicContact CG1-CG 3.84Å; A64-E80 HydrophobicContact CB-CB 4.23Å; A64-E80 HydrophobicContact CB-CG 4.03Å; A64-E80 WeakPolarHBondContact CB-OE1 3.25Å; A64-E80 PolarHBondContact N-OE1 3.27Å; A64-E80 PolarHBondContact O-N 3.48Å; E80-K143 VanDerWaalsContact CD-NZ 3.32Å; E80-K143 WeakPolarHBondContact OE1-CD 3.5Å; E80-K143 WeakPolarHBondContact OE1-CE 3.48Å; E80-K143 IonicContact OE1-NZ 2.8Å; E80-K143 PolarHBondContact OE1-NZ 3.29Å; E80-K143 WeakPolarHBondContact OE2-CE 3.37Å; E80-K143 IonicContact OE2-NZ 2.86Å; E80-K143 PolarHBondContact OE2-NZ 3.41Å
81Y94.8Very high92.2Very high63 Ų6332.2 Ų32.225%0.24719%0.191CC..  trans-92.3125.2174.5174.9-113.2000110.8L20 K29 V31 G83L20-Y81 HydrophobicContact CD1-CD1 4.15Å; L20-Y81 HydrophobicContact CD1-CD2 3.56Å; L20-Y81 HydrophobicContact CD1-CE1 4.32Å; L20-Y81 HydrophobicContact CD1-CE2 3.74Å; L20-Y81 HydrophobicContact CD1-CG 3.76Å; K29-Y81 HydrophobicContact CB-CD1 3.98Å; K29-Y81 HydrophobicContact CB-CG 4.33Å; K29-Y81 HydrophobicContact CD-CD1 4.35Å; K29-Y81 HydrophobicContact CD-CE1 4.39Å; V31-Y81 HydrophobicContact CG2-CD2 3.78Å; Y81-G83 VanDerWaalsContact CE1-CA 3.5Å
82C95.2Very high92.7Very high11 Ų1134 Ų347%0.07419%0.192CC..  trans-98.298.8175.8-63.90000109.7G84 G85 F135 L136C82-G84 VanDerWaalsContact C-N 3.26Å; C82-G84 PolarHBondContact O-N 3.43Å; C82-G85 PolarHBondContact O-N 3.13Å; C82-F135 HydrophobicContact CB-CB 3.57Å; C82-F135 HydrophobicContact CB-CG 4.38Å; C82-L136 CarbonylContact C-O 3.6Å; C82-L136 WeakPolarHBondContact CB-O 3.18Å
83G93Very high93.1Very high25 Ų2532.7 Ų32.726%0.25818%0.181SC..THydrogen-bonded Turntrans-68.1-17.1-171.100000116.1Y81 G85 D138Y81-G83 VanDerWaalsContact CE1-CA 3.5Å; G83-G85 VanDerWaalsContact C-N 3.28Å; G83-G85 PolarHBondContact O-N 2.96Å; G83-D138 VanDerWaalsContact CA-OD1 3.32Å; G83-D138 WeakPolarHBondContact CA-OD1 3.5Å
84G93.4Very high93.5Very high22 Ų2232 Ų3223%0.22717%0.165CC..THydrogen-bonded Turntrans-79.1-2.3177.800000115.3C82 R90 L136C82-G84 VanDerWaalsContact C-N 3.26Å; C82-G84 PolarHBondContact O-N 3.43Å; G84-R90 PolarHBondContact O-NH2 3.41Å; G84-L136 CarbonylContact C-O 3.57Å; G84-L136 WeakPolarHBondContact CA-O 3.41Å; G84-L136 PolarHBondContact N-O 2.83Å
85G94.3Very high93.6Very high20 Ų2031.7 Ų31.721%0.20617%0.165CC..  trans78.7-167.6-179.900000113.5C82 G83 F135 L136C82-G85 PolarHBondContact O-N 3.13Å; G83-G85 VanDerWaalsContact C-N 3.28Å; G83-G85 PolarHBondContact O-N 2.96Å; G85-F135 CarbonylContact O-C 3.58Å; G85-F135 WeakPolarHBondContact O-CA 3.49Å; G85-L136 PolarHBondContact O-N 3.22Å
86D94.9Very high93.4Very high18 Ų1840.7 Ų40.710%0.09620%0.204CC..BIsolated β-bridgetrans-91157.2174.865.872.8000112.5L88 Q89 R90 K132 I134 F135D86-L88 VanDerWaalsContact C-N 3.25Å; D86-L88 PolarHBondContact O-N 3.42Å; D86-L88 WeakPolarHBondContact OD1-CA 3.49Å; D86-L88 VanDerWaalsContact OD1-CB 3.26Å; D86-L88 WeakPolarHBondContact OD1-CB 3.39Å; D86-L88 PolarHBondContact OD1-N 3.28Å; D86-L88 VanDerWaalsContact OD1-N 3.07Å; D86-Q89 PolarHBondContact O-N 3.29Å; D86-Q89 WeakPolarHBondContact OD1-CG 3.42Å; D86-Q89 PolarHBondContact OD1-N 3.2Å; D86-Q89 WeakPolarHBondContact OD2-CG 3.22Å; D86-Q89 PolarHBondContact OD2-NE2 2.96Å; D86-R90 PolarHBondContact O-N 2.99Å; D86-R90 VanDerWaalsContact O-N 3.12Å; D86-K132 WeakPolarHBondContact CB-O 3.47Å; D86-I134 CarbonylContact C-O 3.58Å; D86-I134 WeakPolarHBondContact CA-O 3.15Å; D86-F135 HydrophobicContact CB-CD1 3.98Å; D86-F135 HydrophobicContact CB-CE1 4.09Å
87L96.2Very high93.1Very high0 Ų044.4 Ų44.40%023%0.23CC..Hα-helixtrans-63.7-29.9-179.6-79.2-176.1000112.4R90 I91 W108 M112 S131 I134 L136 V192 L196L87-R90 WeakPolarHBondContact O-CB 3.28Å; L87-R90 PolarHBondContact O-N 2.88Å; L87-I91 WeakPolarHBondContact O-CB 3.48Å; L87-I91 WeakPolarHBondContact O-CD1 3.4Å; L87-I91 VanDerWaalsContact O-CG1 3.23Å; L87-I91 WeakPolarHBondContact O-CG1 3.4Å; L87-I91 PolarHBondContact O-N 3.32Å; L87-W108 HydrophobicContact CD2-CE3 4.4Å; L87-M112 HydrophobicContact CD1-CE 4.38Å; L87-M112 HydrophobicContact CD1-SD 4.12Å; L87-S131 WeakPolarHBondContact CB-O 3.44Å; L87-S131 PolarHBondContact N-O 2.92Å; L87-S131 VanDerWaalsContact N-O 3.09Å; L87-I134 HydrophobicContact CD1-CB 3.91Å; L87-I134 HydrophobicContact CD1-CG2 3.4Å; L87-I134 VanDerWaalsContact CD1-CG2 3.4Å; L87-I134 HydrophobicContact CG-CB 4.26Å; L87-I134 HydrophobicContact CG-CG2 3.93Å; L87-I134 PolarHBondContact N-O 3.46Å; L87-L136 HydrophobicContact CD2-CD1 3.8Å; L87-L136 HydrophobicContact CD2-CD2 3.98Å; L87-L136 HydrophobicContact CD2-CG 3.82Å; L87-V192 HydrophobicContact CD1-CG1 4.2Å; L87-L196 HydrophobicContact CD2-CD2 4.47Å
88L94.8Very high92.9Very high18 Ų1847.9 Ų47.99%0.09426%0.255CS..Hα-helixtrans-63.5-47.3177.8176.866000110.4D86 R90 I91 Q92 S131 K132 P412 L413D86-L88 VanDerWaalsContact C-N 3.25Å; D86-L88 PolarHBondContact O-N 3.42Å; D86-L88 WeakPolarHBondContact OD1-CA 3.49Å; D86-L88 VanDerWaalsContact OD1-CB 3.26Å; D86-L88 WeakPolarHBondContact OD1-CB 3.39Å; D86-L88 PolarHBondContact OD1-N 3.28Å; D86-L88 VanDerWaalsContact OD1-N 3.07Å; L88-R90 VanDerWaalsContact C-N 3.28Å; L88-R90 PolarHBondContact O-N 2.8Å; L88-I91 PolarHBondContact O-N 3.36Å; L88-Q92 WeakPolarHBondContact O-CG 3.44Å; L88-Q92 PolarHBondContact O-N 3.08Å; L88-S131 PolarHBondContact N-O 3.09Å; L88-S131 VanDerWaalsContact N-O 3.13Å; L88-K132 HydrophobicContact CB-CB 4.4Å; L88-K132 HydrophobicContact CD2-CB 4.19Å; L88-P412 HydrophobicContact CD1-CG 4.3Å; L88-P412 HydrophobicContact CD2-CG 4.37Å; L88-L413 HydrophobicContact CD1-CD1 4.16Å; L88-L413 HydrophobicContact CD1-CD2 3.78Å; L88-L413 HydrophobicContact CD1-CG 3.88Å
89Q93.8Very high92.9Very high93 Ų9352.2 Ų52.244%0.43528%0.275SS..Hα-helixtrans-58.5-42.3173.1-69.6176.424.100111.3D86 Q92 Q93D86-Q89 PolarHBondContact O-N 3.29Å; D86-Q89 WeakPolarHBondContact OD1-CG 3.42Å; D86-Q89 PolarHBondContact OD1-N 3.2Å; D86-Q89 WeakPolarHBondContact OD2-CG 3.22Å; D86-Q89 PolarHBondContact OD2-NE2 2.96Å; Q89-Q92 PolarHBondContact O-N 3.4Å; Q89-Q93 VanDerWaalsContact O-CG 3.26Å; Q89-Q93 WeakPolarHBondContact O-CG 3.39Å; Q89-Q93 PolarHBondContact O-N 2.9Å
90R95.6Very high92.9Very high53 Ų5352.1 Ų52.120%0.227%0.274CS..Hα-helixtrans-62.6-43.8177.8-17756.564.3858.2112G84 D86 L87 L88 Q93 Q94 F100 W108 L136G84-R90 PolarHBondContact O-NH2 3.41Å; D86-R90 PolarHBondContact O-N 2.99Å; D86-R90 VanDerWaalsContact O-N 3.12Å; L87-R90 WeakPolarHBondContact O-CB 3.28Å; L87-R90 PolarHBondContact O-N 2.88Å; L88-R90 VanDerWaalsContact C-N 3.28Å; L88-R90 PolarHBondContact O-N 2.8Å; R90-Q93 PolarHBondContact O-N 3.04Å; R90-Q94 WeakPolarHBondContact O-CB 3.44Å; R90-Q94 PolarHBondContact O-N 2.68Å; R90-F100 HydrophobicContact CG-CE1 3.98Å; R90-F100 HydrophobicContact CG-CZ 3.8Å; R90-W108 HydrophobicContact CG-CH2 4.26Å; R90-L136 HydrophobicContact CB-CD1 4.14Å; R90-L136 HydrophobicContact CG-CD1 3.94Å
91I95.6Very high93Very high0 Ų053.7 Ų53.70%029%0.286CS..Hα-helixtrans-62.2-45.8176.2-70155.8000110.4L87 L88 Q93 Q94 Q95 F100 E195 L196 L199 L413L87-I91 WeakPolarHBondContact O-CB 3.48Å; L87-I91 WeakPolarHBondContact O-CD1 3.4Å; L87-I91 VanDerWaalsContact O-CG1 3.23Å; L87-I91 WeakPolarHBondContact O-CG1 3.4Å; L87-I91 PolarHBondContact O-N 3.32Å; L88-I91 PolarHBondContact O-N 3.36Å; I91-Q93 VanDerWaalsContact C-N 3.34Å; I91-Q93 PolarHBondContact O-N 3.48Å; I91-Q94 WeakPolarHBondContact O-CB 3.49Å; I91-Q94 PolarHBondContact O-N 3.12Å; I91-Q94 VanDerWaalsContact O-N 3.14Å; I91-Q95 WeakPolarHBondContact O-CG 3.48Å; I91-Q95 PolarHBondContact O-N 3.38Å; I91-F100 HydrophobicContact CG1-CE2 3.98Å; I91-F100 HydrophobicContact CG1-CZ 4.47Å; I91-E195 HydrophobicContact CD1-CB 3.84Å; I91-L196 HydrophobicContact CD1-CD2 4.28Å; I91-L196 HydrophobicContact CG1-CD2 4.18Å; I91-L199 HydrophobicContact CG2-CB 4.09Å; I91-L199 HydrophobicContact CG2-CD2 4.06Å; I91-L413 HydrophobicContact CB-CD2 4.48Å; I91-L413 HydrophobicContact CG2-CD1 3.99Å; I91-L413 HydrophobicContact CG2-CD2 3.68Å
92Q93.8Very high93.1Very high67 Ų6752.7 Ų52.731%0.31329%0.287SS..Hα-helixtrans-64.1-35.6179.1-73.1177.7-28.500113.2L88 Q89 P412 L413L88-Q92 WeakPolarHBondContact O-CG 3.44Å; L88-Q92 PolarHBondContact O-N 3.08Å; Q89-Q92 PolarHBondContact O-N 3.4Å; Q92-P412 PolarHBondContact NE2-O 2.87Å; Q92-P412 VanDerWaalsContact NE2-O 3.14Å; Q92-L413 HydrophobicContact CG-CD2 3.74Å
93Q92.9Very high93.1Very high112 Ų11258.5 Ų58.552%0.52331%0.313SS..Hα-helixtrans-64.8-44.6172.1-71.8166.212.200110.7Q89 R90 I91 Q95 K96Q89-Q93 VanDerWaalsContact O-CG 3.26Å; Q89-Q93 WeakPolarHBondContact O-CG 3.39Å; Q89-Q93 PolarHBondContact O-N 2.9Å; R90-Q93 PolarHBondContact O-N 3.04Å; I91-Q93 VanDerWaalsContact C-N 3.34Å; I91-Q93 PolarHBondContact O-N 3.48Å; Q93-Q95 VanDerWaalsContact C-N 3.33Å; Q93-Q95 PolarHBondContact O-N 3.39Å; Q93-K96 WeakPolarHBondContact O-CB 3.4Å; Q93-K96 PolarHBondContact O-N 3.42Å
94Q93.6Very high93.2Very high33 Ų3360.1 Ų60.115%0.15432%0.316CS..Hα-helixtrans-65.8-32.7-178.5-165.264.128.200112.6R90 I91 K96 S97 S98 Q99 F100 L199R90-Q94 WeakPolarHBondContact O-CB 3.44Å; R90-Q94 PolarHBondContact O-N 2.68Å; I91-Q94 WeakPolarHBondContact O-CB 3.49Å; I91-Q94 PolarHBondContact O-N 3.12Å; I91-Q94 VanDerWaalsContact O-N 3.14Å; Q94-K96 PolarHBondContact O-N 3.21Å; Q94-S97 PolarHBondContact O-N 3.43Å; Q94-S97 PolarHBondContact O-OG 3.44Å; Q94-S98 VanDerWaalsContact CD-O 3.31Å; Q94-S98 WeakPolarHBondContact CG-O 3.41Å; Q94-S98 VanDerWaalsContact NE2-C 3.31Å; Q94-S98 PolarHBondContact NE2-O 3.2Å; Q94-S98 PolarHBondContact NE2-OG 3.3Å; Q94-S98 VanDerWaalsContact NE2-OG 3.14Å; Q94-S98 PolarHBondContact O-N 3.49Å; Q94-Q99 PolarHBondContact NE2-O 2.88Å; Q94-F100 HydrophobicContact CB-CD1 4.49Å; Q94-F100 HydrophobicContact CB-CE1 3.71Å; Q94-F100 HydrophobicContact CB-CE2 3.94Å; Q94-F100 HydrophobicContact CB-CZ 3.37Å; Q94-F100 HydrophobicContact CG-CD1 3.71Å; Q94-F100 HydrophobicContact CG-CD2 4.07Å; Q94-F100 HydrophobicContact CG-CE1 3.41Å; Q94-F100 VanDerWaalsContact CG-CE1 3.41Å; Q94-F100 HydrophobicContact CG-CE2 3.81Å; Q94-F100 HydrophobicContact CG-CG 4.02Å; Q94-F100 HydrophobicContact CG-CZ 3.45Å; Q94-F100 VanDerWaalsContact CG-CZ 3.45Å; Q94-L199 HydrophobicContact CB-CD1 4.42Å; Q94-L199 HydrophobicContact CB-CD2 4.2Å; Q94-L199 HydrophobicContact CG-CD1 4.18Å; Q94-L199 HydrophobicContact CG-CD2 4.06Å
95Q90Very high93.4Very high58 Ų5859.2 Ų59.227%0.27131%0.306SS..THydrogen-bonded Turntrans-55.6-23.7173.7-76.9-175.3-3100113.9I91 Q93 L199 L413I91-Q95 WeakPolarHBondContact O-CG 3.48Å; I91-Q95 PolarHBondContact O-N 3.38Å; Q93-Q95 VanDerWaalsContact C-N 3.33Å; Q93-Q95 PolarHBondContact O-N 3.39Å; Q95-L199 HydrophobicContact CG-CB 3.66Å; Q95-L199 HydrophobicContact CG-CD1 4.1Å; Q95-L199 HydrophobicContact CG-CG 4.48Å; Q95-L199 PolarHBondContact NE2-O 2.71Å; Q95-L413 PolarHBondContact NE2-O 2.89Å
96K86.3Confident93.6Very high189 Ų18958.8 Ų58.882%0.82230%0.298SS*.THydrogen-bonded Turntrans-89.2-10.5-179.1-58.4179.3-176.5179.10113.7Q93 Q94Q93-K96 WeakPolarHBondContact O-CB 3.4Å; Q93-K96 PolarHBondContact O-N 3.42Å; Q94-K96 PolarHBondContact O-N 3.21Å
97S84.5Confident93.7Very high87 Ų8761 Ų6161%0.60831%0.307SS*.THydrogen-bonded Turntrans-120.9-78-174.256.50000112Q94Q94-S97 PolarHBondContact O-N 3.43Å; Q94-S97 PolarHBondContact O-OG 3.44Å
98S88.2Confident93.8Very high74 Ų7461.3 Ų61.352%0.51731%0.308SS..  trans-154-178.1-172.662.90000111.3Q94Q94-S98 VanDerWaalsContact CD-O 3.31Å; Q94-S98 WeakPolarHBondContact CG-O 3.41Å; Q94-S98 VanDerWaalsContact NE2-C 3.31Å; Q94-S98 PolarHBondContact NE2-O 3.2Å; Q94-S98 PolarHBondContact NE2-OG 3.3Å; Q94-S98 VanDerWaalsContact NE2-OG 3.14Å; Q94-S98 PolarHBondContact O-N 3.49Å
99Q91.6Very high93.9Very high91 Ų9160.4 Ų60.443%0.42530%0.304SS..PPolyproline II helixtrans-81.5158.9171.7-73174.4-27.500112Q94 H226Q94-Q99 PolarHBondContact NE2-O 2.88Å; Q99-H226 PolarHBondContact OE1-CE1 2.99Å; Q99-H226 PolarHBondContact OE1-NE2 3.25Å
100F95.4Very high94.2Very high16 Ų1656 Ų567%0.0728%0.283CS..PPolyproline II helixtrans-68.4148.2170.8-66-63.4000110.9R90 I91 Q94 I105 W108 L196 L199R90-F100 HydrophobicContact CG-CE1 3.98Å; R90-F100 HydrophobicContact CG-CZ 3.8Å; I91-F100 HydrophobicContact CG1-CE2 3.98Å; I91-F100 HydrophobicContact CG1-CZ 4.47Å; Q94-F100 HydrophobicContact CB-CD1 4.49Å; Q94-F100 HydrophobicContact CB-CE1 3.71Å; Q94-F100 HydrophobicContact CB-CE2 3.94Å; Q94-F100 HydrophobicContact CB-CZ 3.37Å; Q94-F100 HydrophobicContact CG-CD1 3.71Å; Q94-F100 HydrophobicContact CG-CD2 4.07Å; Q94-F100 HydrophobicContact CG-CE1 3.41Å; Q94-F100 VanDerWaalsContact CG-CE1 3.41Å; Q94-F100 HydrophobicContact CG-CE2 3.81Å; Q94-F100 HydrophobicContact CG-CG 4.02Å; Q94-F100 HydrophobicContact CG-CZ 3.45Å; Q94-F100 VanDerWaalsContact CG-CZ 3.45Å; F100-I105 HydrophobicContact CB-CD1 4.1Å; F100-I105 HydrophobicContact CB-CG1 3.82Å; F100-W108 AromaticContact CD1-CH2 3.78Å; F100-W108 HydrophobicContact CD1-CH2 3.78Å; F100-W108 AromaticContact CD1-CZ3 3.68Å; F100-W108 HydrophobicContact CD1-CZ3 3.68Å; F100-W108 HydrophobicContact CD2-CZ3 4.27Å; F100-W108 AromaticContact CE1-CH2 3.69Å; F100-W108 HydrophobicContact CE1-CH2 3.69Å; F100-W108 AromaticContact CE1-CZ3 3.74Å; F100-W108 HydrophobicContact CE1-CZ3 3.74Å; F100-W108 HydrophobicContact CE2-CZ3 4.31Å; F100-W108 AromaticContact CG-CZ3 3.97Å; F100-W108 HydrophobicContact CG-CZ3 3.97Å; F100-W108 HydrophobicContact CZ-CH2 4.35Å; F100-W108 HydrophobicContact CZ-CZ3 4.07Å; F100-L196 HydrophobicContact CD2-CD2 4.29Å; F100-L196 WeakPolarHBondContact CD2-O 3.48Å; F100-L196 HydrophobicContact CE2-CD2 4.11Å; F100-L199 HydrophobicContact CD2-CD2 3.63Å; F100-L199 HydrophobicContact CE2-CD2 3.44Å; F100-L199 VanDerWaalsContact CE2-CD2 3.44Å; F100-L199 HydrophobicContact CZ-CD2 4.4Å
101T95.7Very high94.3Very high77 Ų7754.5 Ų54.547%0.47228%0.278SS..PPolyproline II helixtrans-68.9147.4171.362.20000110.3E103 N104 I105T101-E103 PolarHBondContact O-N 3.22Å; T101-N104 PolarHBondContact O-N 3.4Å; T101-N104 VanDerWaalsContact O-N 3.1Å; T101-N104 PolarHBondContact OG1-N 2.7Å; T101-N104 PolarHBondContact OG1-ND2 2.77Å; T101-N104 VanDerWaalsContact OG1-ND2 3.16Å; T101-I105 WeakPolarHBondContact O-CG1 3.33Å; T101-I105 PolarHBondContact O-N 3.02Å
102V96.3Very high94.4Very high43 Ų4354.5 Ų54.526%0.26128%0.278SS..Hα-helixtrans-54.5-39.1176.1177.30000111.2N104 I105 L106 L227 P228V102-N104 PolarHBondContact O-N 3.07Å; V102-I105 PolarHBondContact O-N 3.12Å; V102-L106 HydrophobicContact CG1-CD1 3.73Å; V102-L106 HydrophobicContact CG1-CG 4.14Å; V102-L106 WeakPolarHBondContact O-CB 3.4Å; V102-L106 VanDerWaalsContact O-CG 3.26Å; V102-L106 WeakPolarHBondContact O-CG 3.4Å; V102-L106 PolarHBondContact O-N 2.68Å; V102-L227 HydrophobicContact CG2-CD2 3.74Å; V102-P228 HydrophobicContact CG1-CG 3.77Å
103E95.6Very high94.6Very high132 Ų13251.3 Ų51.362%0.61726%0.264SS*.Hα-helixtrans-60.2-45.6177.6-169.2-178.7176.900112.6T101 L106 K107T101-E103 PolarHBondContact O-N 3.22Å; E103-L106 PolarHBondContact O-N 3.3Å; E103-K107 VanDerWaalsContact O-CB 3.26Å; E103-K107 WeakPolarHBondContact O-CB 3.15Å; E103-K107 PolarHBondContact O-N 2.86Å
104N95.8Very high94.8Very high60 Ų6046.7 Ų46.732%0.32125%0.245SC..Hα-helixtrans-66.5-40.9177.4-78-29.4000111.6T101 V102 K107 W108T101-N104 PolarHBondContact O-N 3.4Å; T101-N104 VanDerWaalsContact O-N 3.1Å; T101-N104 PolarHBondContact OG1-N 2.7Å; T101-N104 PolarHBondContact OG1-ND2 2.77Å; T101-N104 VanDerWaalsContact OG1-ND2 3.16Å; V102-N104 PolarHBondContact O-N 3.07Å; N104-K107 PolarHBondContact O-N 3.13Å; N104-W108 HydrophobicContact CB-CH2 4.35Å; N104-W108 HydrophobicContact CB-CZ2 4.43Å; N104-W108 HydrophobicContact CB-CZ3 4.4Å; N104-W108 WeakPolarHBondContact O-CB 3.39Å; N104-W108 VanDerWaalsContact O-CG 3.28Å; N104-W108 PolarHBondContact O-N 3.18Å
105I97.6Very high95Very high2 Ų245.1 Ų45.11%0.0124%0.238CC..Hα-helixtrans-58.8-51.1176.2-63.7168.1000110.1F100 T101 V102 W108 F109 L193 L196 L227F100-I105 HydrophobicContact CB-CD1 4.1Å; F100-I105 HydrophobicContact CB-CG1 3.82Å; T101-I105 WeakPolarHBondContact O-CG1 3.33Å; T101-I105 PolarHBondContact O-N 3.02Å; V102-I105 PolarHBondContact O-N 3.12Å; I105-W108 PolarHBondContact O-N 3.29Å; I105-F109 VanDerWaalsContact O-CB 3.23Å; I105-F109 WeakPolarHBondContact O-CB 3.43Å; I105-F109 PolarHBondContact O-N 2.81Å; I105-L193 HydrophobicContact CG2-CD1 3.67Å; I105-L196 HydrophobicContact CG1-CB 4.24Å; I105-L196 HydrophobicContact CG2-CB 4.21Å; I105-L227 HydrophobicContact CD1-CD2 4.45Å
106L97.6Very high95.3Very high11 Ų1142.5 Ų42.56%0.05823%0.225CC..Hα-helixtrans-63.5-42.5179.7-70171.4000111.8V102 E103 F109 A110 L231 L261 L262V102-L106 HydrophobicContact CG1-CD1 3.73Å; V102-L106 HydrophobicContact CG1-CG 4.14Å; V102-L106 WeakPolarHBondContact O-CB 3.4Å; V102-L106 VanDerWaalsContact O-CG 3.26Å; V102-L106 WeakPolarHBondContact O-CG 3.4Å; V102-L106 PolarHBondContact O-N 2.68Å; E103-L106 PolarHBondContact O-N 3.3Å; L106-F109 PolarHBondContact O-N 3.15Å; L106-A110 VanDerWaalsContact O-CB 3.24Å; L106-A110 WeakPolarHBondContact O-CB 3.25Å; L106-A110 PolarHBondContact O-N 3.49Å; L106-L231 HydrophobicContact CD2-CD2 3.84Å; L106-L231 HydrophobicContact CD2-CG 4.39Å; L106-L261 HydrophobicContact CD1-CB 4Å; L106-L261 HydrophobicContact CD2-CB 3.97Å; L106-L261 HydrophobicContact CD2-CD1 4.48Å; L106-L262 HydrophobicContact CB-CD2 4.44Å; L106-L262 HydrophobicContact CD2-CD2 3.8Å
107K96.6Very high95.8Very high65 Ų6536 Ų3628%0.28320%0.197SC..Hα-helixtrans-60-51.9177.4177.8-177.4172.8-175.10111.9E103 N104 Q111 H265E103-K107 VanDerWaalsContact O-CB 3.26Å; E103-K107 WeakPolarHBondContact O-CB 3.15Å; E103-K107 PolarHBondContact O-N 2.86Å; N104-K107 PolarHBondContact O-N 3.13Å; K107-Q111 WeakPolarHBondContact O-CG 3.48Å; K107-Q111 PolarHBondContact O-N 2.95Å; K107-H265 HydrophobicContact CB-CB 4.12Å; K107-H265 HydrophobicContact CG-CB 4.34Å
108W98.1Very high96.4Very high6 Ų633.8 Ų33.82%0.02318%0.177CC..Hα-helixtrans-63.9-42.5179.2-67.7-23.1000111.4L87 R90 F100 N104 I105 Q111 M112 L136 S140 V142 L196L87-W108 HydrophobicContact CD2-CE3 4.4Å; R90-W108 HydrophobicContact CG-CH2 4.26Å; F100-W108 AromaticContact CD1-CH2 3.78Å; F100-W108 HydrophobicContact CD1-CH2 3.78Å; F100-W108 AromaticContact CD1-CZ3 3.68Å; F100-W108 HydrophobicContact CD1-CZ3 3.68Å; F100-W108 HydrophobicContact CD2-CZ3 4.27Å; F100-W108 AromaticContact CE1-CH2 3.69Å; F100-W108 HydrophobicContact CE1-CH2 3.69Å; F100-W108 AromaticContact CE1-CZ3 3.74Å; F100-W108 HydrophobicContact CE1-CZ3 3.74Å; F100-W108 HydrophobicContact CE2-CZ3 4.31Å; F100-W108 AromaticContact CG-CZ3 3.97Å; F100-W108 HydrophobicContact CG-CZ3 3.97Å; F100-W108 HydrophobicContact CZ-CH2 4.35Å; F100-W108 HydrophobicContact CZ-CZ3 4.07Å; N104-W108 HydrophobicContact CB-CH2 4.35Å; N104-W108 HydrophobicContact CB-CZ2 4.43Å; N104-W108 HydrophobicContact CB-CZ3 4.4Å; N104-W108 WeakPolarHBondContact O-CB 3.39Å; N104-W108 VanDerWaalsContact O-CG 3.28Å; N104-W108 PolarHBondContact O-N 3.18Å; I105-W108 PolarHBondContact O-N 3.29Å; W108-Q111 PolarHBondContact O-N 2.68Å; W108-M112 HydrophobicContact CB-CE 4.35Å; W108-M112 WeakPolarHBondContact O-CG 3.35Å; W108-M112 PolarHBondContact O-N 3.4Å; W108-L136 HydrophobicContact CZ2-CD1 4.3Å; W108-L136 HydrophobicContact CZ2-CD2 4.48Å; W108-S140 PolarHBondContact NE1-O 3.26Å; W108-S140 VanDerWaalsContact NE1-O 3.11Å; W108-V142 HydrophobicContact CB-CG2 3.68Å; W108-V142 VanDerWaalsContact CD1-CG2 3.49Å; W108-V142 HydrophobicContact CG-CG2 3.7Å; W108-L196 HydrophobicContact CB-CD1 4.27Å; W108-L196 HydrophobicContact CE3-CD1 4.21Å; W108-L196 HydrophobicContact CE3-CD2 3.84Å; W108-L196 HydrophobicContact CZ3-CD2 4.06Å
109F98.4Very high96.7Very high0 Ų030.3 Ų30.30%015%0.153CC..Hα-helixtrans-67.3-40.6179.6-171.2-105.1000113.2I105 L106 Q111 M112 C113 L189 L193 L234 M238 I252 L262I105-F109 VanDerWaalsContact O-CB 3.23Å; I105-F109 WeakPolarHBondContact O-CB 3.43Å; I105-F109 PolarHBondContact O-N 2.81Å; L106-F109 PolarHBondContact O-N 3.15Å; F109-Q111 VanDerWaalsContact C-N 3.29Å; F109-Q111 PolarHBondContact O-N 2.92Å; F109-M112 HydrophobicContact CB-CE 4.18Å; F109-M112 HydrophobicContact CD2-CE 4.04Å; F109-M112 PolarHBondContact O-N 3.32Å; F109-C113 WeakPolarHBondContact CE1-SG 3.01Å; F109-C113 VanDerWaalsContact CZ-SG 3.52Å; F109-C113 PolarHBondContact O-N 3.13Å; F109-C113 PolarHBondContact O-SG 3.21Å; F109-C113 VanDerWaalsContact O-SG 3.4Å; F109-L189 HydrophobicContact CE2-CB 4.43Å; F109-L193 HydrophobicContact CB-CD1 4.1Å; F109-L193 HydrophobicContact CD1-CD1 4.47Å; F109-L193 HydrophobicContact CD1-CD2 4.25Å; F109-L193 HydrophobicContact CD2-CB 3.73Å; F109-L193 HydrophobicContact CD2-CD1 3.89Å; F109-L193 HydrophobicContact CD2-CD2 4.05Å; F109-L193 HydrophobicContact CD2-CG 4.09Å; F109-L193 HydrophobicContact CE1-CD2 4.04Å; F109-L193 HydrophobicContact CE2-CB 3.71Å; F109-L193 HydrophobicContact CE2-CD1 4.48Å; F109-L193 HydrophobicContact CE2-CD2 3.83Å; F109-L193 HydrophobicContact CE2-CG 4.21Å; F109-L193 HydrophobicContact CG-CD1 3.89Å; F109-L193 HydrophobicContact CG-CD2 4.26Å; F109-L193 HydrophobicContact CG-CG 4.46Å; F109-L193 HydrophobicContact CZ-CD2 3.82Å; F109-L234 HydrophobicContact CD1-CD2 4.25Å; F109-L234 HydrophobicContact CE1-CD2 3.42Å; F109-L234 VanDerWaalsContact CE1-CD2 3.42Å; F109-L234 HydrophobicContact CZ-CD2 3.86Å; F109-M238 HydrophobicContact CE2-CE 4.1Å; F109-M238 HydrophobicContact CE2-SD 4.46Å; F109-M238 HydrophobicContact CZ-CE 3.79Å; F109-M238 HydrophobicContact CZ-SD 3.84Å; F109-I252 HydrophobicContact CE1-CG2 4Å; F109-L262 HydrophobicContact CD1-CD1 4Å; F109-L262 HydrophobicContact CD1-CD2 3.9Å; F109-L262 HydrophobicContact CE1-CD1 4.11Å
110A98.1Very high96.8Very high0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-57.2-45173.600000111.4L106 C113 A114 L262 H265 L266L106-A110 VanDerWaalsContact O-CB 3.24Å; L106-A110 WeakPolarHBondContact O-CB 3.25Å; L106-A110 PolarHBondContact O-N 3.49Å; A110-C113 PolarHBondContact O-N 3.48Å; A110-A114 PolarHBondContact O-N 3.31Å; A110-L262 HydrophobicContact CB-CB 3.99Å; A110-L262 HydrophobicContact CB-CD2 4.12Å; A110-H265 HydrophobicContact CB-CB 4.08Å; A110-L266 HydrophobicContact CB-CD2 3.89Å; A110-L266 HydrophobicContact CB-CG 4.11Å; A110-L266 WeakPolarHBondContact O-CD2 3.44Å
111Q97.7Very high96.6Very high21 Ų2129.8 Ų29.810%0.09815%0.153CC..Hα-helixtrans-66.1-40.3177.9-73.9179.6-6.200113N61 K107 W108 F109 A114 G115 V142N61-Q111 HydrophobicContact CB-CB 4.45Å; N61-Q111 WeakPolarHBondContact CB-O 3.36Å; N61-Q111 WeakPolarHBondContact ND2-CB 3.44Å; N61-Q111 WeakPolarHBondContact ND2-CG 3.19Å; K107-Q111 WeakPolarHBondContact O-CG 3.48Å; K107-Q111 PolarHBondContact O-N 2.95Å; W108-Q111 PolarHBondContact O-N 2.68Å; F109-Q111 VanDerWaalsContact C-N 3.29Å; F109-Q111 PolarHBondContact O-N 2.92Å; Q111-A114 PolarHBondContact O-N 2.93Å; Q111-G115 PolarHBondContact O-N 2.87Å; Q111-V142 HydrophobicContact CB-CB 4.01Å
112M98.4Very high96.3Very high0 Ų028.5 Ų28.50%014%0.141CC..Hα-helixtrans-59.7-47.5171.8-72.1-173.7-83.200111.2L87 W108 F109 A114 G115 A116 I134 V142 L144 L189 V192 L196L87-M112 HydrophobicContact CD1-CE 4.38Å; L87-M112 HydrophobicContact CD1-SD 4.12Å; W108-M112 HydrophobicContact CB-CE 4.35Å; W108-M112 WeakPolarHBondContact O-CG 3.35Å; W108-M112 PolarHBondContact O-N 3.4Å; F109-M112 HydrophobicContact CB-CE 4.18Å; F109-M112 HydrophobicContact CD2-CE 4.04Å; F109-M112 PolarHBondContact O-N 3.32Å; M112-A114 VanDerWaalsContact C-N 3.35Å; M112-A114 PolarHBondContact O-N 2.89Å; M112-G115 PolarHBondContact O-N 3.41Å; M112-A116 WeakPolarHBondContact O-CB 3.41Å; M112-A116 PolarHBondContact O-N 3.16Å; M112-I134 HydrophobicContact CG-CG2 4.2Å; M112-I134 HydrophobicContact SD-CD1 3.65Å; M112-I134 HydrophobicContact SD-CG2 4.04Å; M112-V142 HydrophobicContact CG-CG1 3.58Å; M112-L144 HydrophobicContact CB-CD2 4.38Å; M112-L144 HydrophobicContact CG-CD2 4.14Å; M112-L189 HydrophobicContact CB-CD2 4.12Å; M112-V192 HydrophobicContact CE-CG1 3.99Å; M112-V192 HydrophobicContact SD-CG1 3.73Å; M112-L196 HydrophobicContact CE-CD1 3.62Å
113C98.3Very high95.9Very high0 Ų029.1 Ų29.10%014%0.139CC..Hα-helixtrans-61.7-40.6176.5-71.20000112.1F109 A110 A116 K117 V249 L253F109-C113 WeakPolarHBondContact CE1-SG 3.01Å; F109-C113 VanDerWaalsContact CZ-SG 3.52Å; F109-C113 PolarHBondContact O-N 3.13Å; F109-C113 PolarHBondContact O-SG 3.21Å; F109-C113 VanDerWaalsContact O-SG 3.4Å; A110-C113 PolarHBondContact O-N 3.48Å; C113-A116 PolarHBondContact O-N 2.88Å; C113-K117 VanDerWaalsContact O-CB 3.28Å; C113-K117 WeakPolarHBondContact O-CB 3.42Å; C113-K117 PolarHBondContact O-N 2.88Å; C113-V249 HydrophobicContact CB-CG1 3.77Å; C113-V249 WeakPolarHBondContact O-CG1 3.36Å; C113-L253 HydrophobicContact CB-CD1 4.06Å; C113-L253 HydrophobicContact CB-CD2 3.56Å; C113-L253 HydrophobicContact CB-CG 3.85Å
114A97.4Very high95.6Very high16 Ų1622.8 Ų22.813%0.13211%0.109CC..Hα-helixtrans-62.1-45.317700000112H59 A110 Q111 M112 H118 L266H59-A114 VanDerWaalsContact CE1-C 3.47Å; A110-A114 PolarHBondContact O-N 3.31Å; Q111-A114 PolarHBondContact O-N 2.93Å; M112-A114 VanDerWaalsContact C-N 3.35Å; M112-A114 PolarHBondContact O-N 2.89Å; A114-H118 PolarHBondContact O-N 3.36Å; A114-H118 VanDerWaalsContact O-N 3.17Å; A114-L266 HydrophobicContact CB-CD2 3.85Å
115G97.3Very high95.2Very high0 Ų020 Ų200%09%0.094CC..Hα-helixtrans-62.4-46.5174.200000112.8Q111 M112 K117 H118 I119Q111-G115 PolarHBondContact O-N 2.87Å; M112-G115 PolarHBondContact O-N 3.41Å; G115-K117 PolarHBondContact O-N 2.8Å; G115-H118 WeakPolarHBondContact O-CB 3.36Å; G115-H118 PolarHBondContact O-N 2.8Å; G115-I119 WeakPolarHBondContact O-CG1 3.39Å; G115-I119 PolarHBondContact O-N 3.2Å; G115-I119 VanDerWaalsContact O-N 3.13Å
116A97.4Very high94.9Very high2 Ų220 Ų202%0.0179%0.094CC..Hα-helixtrans-65.5-39-179.700000112.1M112 C113 H118 I119 H120 L144 L189 V249M112-A116 WeakPolarHBondContact O-CB 3.41Å; M112-A116 PolarHBondContact O-N 3.16Å; C113-A116 PolarHBondContact O-N 2.88Å; A116-H118 VanDerWaalsContact C-N 3.35Å; A116-H118 PolarHBondContact O-N 3.02Å; A116-I119 WeakPolarHBondContact O-CB 3.33Å; A116-I119 PolarHBondContact O-N 2.85Å; A116-H120 PolarHBondContact O-N 2.85Å; A116-L144 HydrophobicContact CB-CD1 4.19Å; A116-L189 HydrophobicContact CB-CD1 3.81Å; A116-V249 HydrophobicContact CB-CG1 4.32Å; A116-V249 HydrophobicContact CB-CG2 4.27Å
117K96.7Very high94.6Very high53 Ų5322 Ų2223%0.2310%0.101CC..Hα-helixtrans-56.7-48.2171.9171.6169.1167.344.80111C113 G115 I119 H120 D121 V249 L253C113-K117 VanDerWaalsContact O-CB 3.28Å; C113-K117 WeakPolarHBondContact O-CB 3.42Å; C113-K117 PolarHBondContact O-N 2.88Å; G115-K117 PolarHBondContact O-N 2.8Å; K117-I119 VanDerWaalsContact C-N 3.27Å; K117-I119 PolarHBondContact O-N 3.41Å; K117-H120 PolarHBondContact O-N 3.03Å; K117-H120 VanDerWaalsContact O-N 3.15Å; K117-D121 WeakPolarHBondContact CE-OD2 3.41Å; K117-D121 WeakPolarHBondContact CG-OD2 3.37Å; K117-D121 IonicContact NZ-OD1 3.3Å; K117-D121 PolarHBondContact NZ-OD1 3.45Å; K117-D121 IonicContact NZ-OD2 3.28Å; K117-D121 PolarHBondContact NZ-OD2 3.03Å; K117-D121 WeakPolarHBondContact O-CB 3.16Å; K117-D121 PolarHBondContact O-N 2.8Å; K117-V249 HydrophobicContact CB-CG1 3.99Å; K117-L253 HydrophobicContact CB-CD1 4.13Å; K117-L253 HydrophobicContact CD-CD1 3.98Å
118H96Very high94.2Very high41 Ų4120.1 Ų20.119%0.199%0.094CC..Hα-helixtrans-60.1-37.5178.6-176.286.9000112.9K58 H59 I62 A114 G115 A116 K122K58-H118 PolarHBondContact N-NE2 3.07Å; K58-H118 PolarHBondContact O-CE1 3.19Å; K58-H118 PolarHBondContact O-NE2 3.06Å; H59-H118 HydrophobicContact CB-CB 4.28Å; H59-H118 AromaticContact CD2-CG 3.95Å; I62-H118 HydrophobicContact CD1-CB 4.35Å; A114-H118 PolarHBondContact O-N 3.36Å; A114-H118 VanDerWaalsContact O-N 3.17Å; G115-H118 WeakPolarHBondContact O-CB 3.36Å; G115-H118 PolarHBondContact O-N 2.8Å; A116-H118 VanDerWaalsContact C-N 3.35Å; A116-H118 PolarHBondContact O-N 3.02Å; H118-K122 WeakPolarHBondContact NE2-CE 3.26Å; H118-K122 PolarHBondContact O-N 3.28Å
119I94.2Very high94Very high1 Ų120 Ų201%0.0059%0.093CC..Hα-helixtrans-65.2-46.4175.3-65.6169.5000110.4M57 I62 G115 A116 K117 K122 V124 L144 F147M57-I119 HydrophobicContact SD-CG1 4.28Å; I62-I119 HydrophobicContact CD1-CD1 4.09Å; I62-I119 HydrophobicContact CD1-CG1 3.66Å; I62-I119 HydrophobicContact CG1-CD1 4.46Å; G115-I119 WeakPolarHBondContact O-CG1 3.39Å; G115-I119 PolarHBondContact O-N 3.2Å; G115-I119 VanDerWaalsContact O-N 3.13Å; A116-I119 WeakPolarHBondContact O-CB 3.33Å; A116-I119 PolarHBondContact O-N 2.85Å; K117-I119 VanDerWaalsContact C-N 3.27Å; K117-I119 PolarHBondContact O-N 3.41Å; I119-K122 WeakPolarHBondContact O-CB 3.28Å; I119-K122 PolarHBondContact O-N 3.38Å; I119-V124 HydrophobicContact CG2-CB 3.9Å; I119-V124 HydrophobicContact CG2-CG1 3.86Å; I119-V124 WeakPolarHBondContact CG2-O 3.42Å; I119-V124 PolarHBondContact O-N 3.2Å; I119-V124 VanDerWaalsContact O-N 3.16Å; I119-L144 HydrophobicContact CD1-CD1 4.02Å; I119-F147 HydrophobicContact CD1-CE1 4Å; I119-F147 HydrophobicContact CD1-CZ 3.75Å; I119-F147 HydrophobicContact CG1-CE1 4.18Å; I119-F147 HydrophobicContact CG1-CZ 4.17Å
120H93.9Very high93.8Very high16 Ų1620.6 Ų20.67%0.07410%0.096CC..Hα-helixtrans-68.8-39.9-179.2-68.3178.3000112.8A116 K117 K122 R123 V124 N182 D185A116-H120 PolarHBondContact O-N 2.85Å; K117-H120 PolarHBondContact O-N 3.03Å; K117-H120 VanDerWaalsContact O-N 3.15Å; H120-K122 PolarHBondContact O-N 3.2Å; H120-R123 WeakPolarHBondContact O-CA 3.17Å; H120-R123 PolarHBondContact O-N 3.38Å; H120-V124 PolarHBondContact CD2-O 3.11Å; H120-N182 PolarHBondContact CE1-O 3.46Å; H120-D185 IonicContact CD2-OD2 2.87Å; H120-D185 IonicContact CE1-OD2 3.2Å; H120-D185 IonicContact NE2-OD2 2.77Å; H120-D185 PolarHBondContact NE2-OD2 2.78Å
121D91.3Very high93.6Very high79 Ų7920.6 Ų20.642%0.42210%0.096SC..Hα-helixtrans-59.1-29.5175.1-67.9-15.2000111.5K117 R123K117-D121 WeakPolarHBondContact CE-OD2 3.41Å; K117-D121 WeakPolarHBondContact CG-OD2 3.37Å; K117-D121 IonicContact NZ-OD1 3.3Å; K117-D121 PolarHBondContact NZ-OD1 3.45Å; K117-D121 IonicContact NZ-OD2 3.28Å; K117-D121 PolarHBondContact NZ-OD2 3.03Å; K117-D121 WeakPolarHBondContact O-CB 3.16Å; K117-D121 PolarHBondContact O-N 2.8Å; D121-R123 PolarHBondContact O-N 2.82Å
122K90.1Very high93.3Very high51 Ų5123.6 Ų23.622%0.22211%0.109CC..THydrogen-bonded Turntrans-83.511.2173.9-82.5173.6177.5-85.30113.6R56 M57 H118 I119 H120 V124 W453R56-K122 WeakPolarHBondContact O-CE 3.41Å; R56-K122 PolarHBondContact O-NZ 2.69Å; M57-K122 HydrophobicContact CE-CB 4.12Å; M57-K122 HydrophobicContact CE-CD 4Å; M57-K122 HydrophobicContact SD-CD 3.48Å; M57-K122 WeakPolarHBondContact SD-CD 3.41Å; H118-K122 WeakPolarHBondContact NE2-CE 3.26Å; H118-K122 PolarHBondContact O-N 3.28Å; I119-K122 WeakPolarHBondContact O-CB 3.28Å; I119-K122 PolarHBondContact O-N 3.38Å; H120-K122 PolarHBondContact O-N 3.2Å; K122-V124 PolarHBondContact O-N 3.23Å; K122-W453 HydrophobicContact CB-CH2 4.24Å; K122-W453 HydrophobicContact CB-CZ2 3.67Å; K122-W453 HydrophobicContact CG-CZ2 3.95Å; K122-W453 WeakPolarHBondContact O-CH2 2.83Å; K122-W453 WeakPolarHBondContact O-CZ2 3.5Å
123R87.7Confident93.1Very high55 Ų5524.1 Ų24.121%0.20811%0.112CC..THydrogen-bonded Turntrans54.335.2-177.2-43.6-157.4172-176.5-4113.5H120 D121 V152 L153 F445H120-R123 WeakPolarHBondContact O-CA 3.17Å; H120-R123 PolarHBondContact O-N 3.38Å; D121-R123 PolarHBondContact O-N 2.82Å; R123-V152 WeakPolarHBondContact O-CA 3.27Å; R123-L153 HydrophobicContact CB-CD1 4.31Å; R123-L153 VanDerWaalsContact O-CD1 3.3Å; R123-L153 WeakPolarHBondContact O-CD1 3.44Å; R123-L153 PolarHBondContact O-N 2.69Å; R123-F445 HydrophobicContact CB-CD1 4.19Å; R123-F445 HydrophobicContact CB-CE1 3.81Å; R123-F445 HydrophobicContact CG-CD1 3.47Å; R123-F445 VanDerWaalsContact CG-CD1 3.47Å; R123-F445 HydrophobicContact CG-CE1 3.59Å
124V88.2Confident93.1Very high0 Ų024.1 Ų24.10%011%0.112CC..EExtended strand (participates in β ladder)trans-111142.5174175.40000109.7L53 M57 I119 H120 K122 A150 C151 V152 W453L53-V124 HydrophobicContact CD2-CG2 4.15Å; M57-V124 HydrophobicContact CE-CB 3.71Å; M57-V124 HydrophobicContact CE-CG1 3.97Å; M57-V124 HydrophobicContact CE-CG2 3.53Å; I119-V124 HydrophobicContact CG2-CB 3.9Å; I119-V124 HydrophobicContact CG2-CG1 3.86Å; I119-V124 WeakPolarHBondContact CG2-O 3.42Å; I119-V124 PolarHBondContact O-N 3.2Å; I119-V124 VanDerWaalsContact O-N 3.16Å; H120-V124 PolarHBondContact CD2-O 3.11Å; K122-V124 PolarHBondContact O-N 3.23Å; V124-A150 HydrophobicContact CG1-CB 4.17Å; V124-C151 CarbonylContact C-O 3.59Å; V124-C151 WeakPolarHBondContact CA-O 3.42Å; V124-V152 HydrophobicContact CG2-CG2 4.32Å; V124-W453 HydrophobicContact CG2-CH2 3.92Å
125L89.3Confident93.1Very high2 Ų226 Ų261%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-103.1133169.1-59.7170.9000108.2R127 A150 C151 L153 Y180 N181 N182L125-R127 HydrophobicContact CB-CG 3.83Å; L125-A150 WeakPolarHBondContact O-CA 3.39Å; L125-A150 WeakPolarHBondContact O-CB 3.29Å; L125-C151 PolarHBondContact N-O 2.88Å; L125-C151 PolarHBondContact O-N 3.31Å; L125-L153 HydrophobicContact CD1-CD1 4.44Å; L125-L153 HydrophobicContact CD1-CD2 4.1Å; L125-L153 HydrophobicContact CD1-CG 3.85Å; L125-L153 HydrophobicContact CD2-CD1 3.78Å; L125-L153 HydrophobicContact CD2-CD2 4.13Å; L125-L153 HydrophobicContact CD2-CG 4.01Å; L125-L153 HydrophobicContact CG-CD1 3.75Å; L125-L153 HydrophobicContact CG-CD2 4.24Å; L125-L153 HydrophobicContact CG-CG 3.72Å; L125-Y180 HydrophobicContact CB-CD1 4.42Å; L125-Y180 HydrophobicContact CB-CE1 4.48Å; L125-Y180 HydrophobicContact CD1-CD1 4.11Å; L125-N181 VanDerWaalsContact CD2-C 3.46Å; L125-N182 HydrophobicContact CD2-CB 4.09Å; L125-N182 VanDerWaalsContact CD2-N 3.29Å
126H91.4Very high93Very high0 Ų026 Ų260%012%0.117CC..  trans-77.2-43.2180-171.3-48.5000111.4D128 L129 G145 D146 D185H126-D128 PolarHBondContact ND1-N 3.26Å; H126-D128 PolarHBondContact O-N 3.03Å; H126-L129 HydrophobicContact CB-CD1 4.2Å; H126-L129 HydrophobicContact CB-CD2 4.21Å; H126-L129 HydrophobicContact CB-CG 3.88Å; H126-L129 WeakPolarHBondContact CD2-CD2 3.19Å; H126-G145 PolarHBondContact CE1-O 3.17Å; H126-G145 PolarHBondContact NE2-O 3.1Å; H126-D146 PolarHBondContact CE1-O 3.36Å; H126-D185 PolarHBondContact N-OD2 2.9Å
127R89.6Confident92.9Very high53 Ų5326.6 Ų26.620%0.212%0.121CC..  trans65.90.3174.8-57.917762-147.48.1116.5L125 S149 Y180 D185L125-R127 HydrophobicContact CB-CG 3.83Å; R127-S149 WeakPolarHBondContact CD-O 3.34Å; R127-S149 PolarHBondContact NH1-O 3.11Å; R127-Y180 HydrophobicContact CB-CE1 4.33Å; R127-Y180 HydrophobicContact CG-CD1 3.74Å; R127-Y180 HydrophobicContact CG-CD2 4.48Å; R127-Y180 HydrophobicContact CG-CE1 3.7Å; R127-Y180 HydrophobicContact CG-CE2 4.48Å; R127-Y180 HydrophobicContact CG-CG 4.15Å; R127-D185 PolarHBondContact N-OD1 2.91Å
128D88.5Confident92.6Very high27 Ų2730.4 Ų30.414%0.14414%0.143CC..  trans-147.738.3-180-157.221.6000112.6H126 K130 N133H126-D128 PolarHBondContact ND1-N 3.26Å; H126-D128 PolarHBondContact O-N 3.03Å; D128-K130 PolarHBondContact O-N 2.89Å; D128-K130 WeakPolarHBondContact OD1-CD 3.45Å; D128-K130 WeakPolarHBondContact OD1-CE 3.38Å; D128-K130 IonicContact OD1-NZ 2.66Å; D128-K130 PolarHBondContact OD1-NZ 2.68Å; D128-K130 IonicContact OD2-NZ 2.88Å; D128-K130 PolarHBondContact OD2-NZ 3.19Å; D128-N133 PolarHBondContact O-ND2 3.05Å; D128-N133 PolarHBondContact OD2-ND2 3.36Å
129L94.1Very high92.3Very high2 Ų233.5 Ų33.51%0.0116%0.162CC..  trans-71.5111.1172.8-68.9171.4000109.5H126 L144 D185 S188 L189H126-L129 HydrophobicContact CB-CD1 4.2Å; H126-L129 HydrophobicContact CB-CD2 4.21Å; H126-L129 HydrophobicContact CB-CG 3.88Å; H126-L129 WeakPolarHBondContact CD2-CD2 3.19Å; L129-L144 HydrophobicContact CD2-CD1 4.22Å; L129-L144 HydrophobicContact CD2-CD2 4.07Å; L129-D185 HydrophobicContact CD1-CB 3.77Å; L129-S188 WeakPolarHBondContact O-CB 3.5Å; L129-L189 HydrophobicContact CD1-CD1 4.27Å; L129-L189 HydrophobicContact CD1-CD2 4.07Å; L129-L189 HydrophobicContact CD1-CG 3.83Å
130K93.5Very high92.1Very high13 Ų1335.5 Ų35.56%0.05718%0.175CC..  trans-154.2157.7178.160.7-170.8177-141.80109.6D128 K132 N133 I134 Y169D128-K130 PolarHBondContact O-N 2.89Å; D128-K130 WeakPolarHBondContact OD1-CD 3.45Å; D128-K130 WeakPolarHBondContact OD1-CE 3.38Å; D128-K130 IonicContact OD1-NZ 2.66Å; D128-K130 PolarHBondContact OD1-NZ 2.68Å; D128-K130 IonicContact OD2-NZ 2.88Å; D128-K130 PolarHBondContact OD2-NZ 3.19Å; K130-K132 HydrophobicContact CG-CB 4.28Å; K130-K132 PolarHBondContact O-N 2.98Å; K130-N133 VanDerWaalsContact CE-CG 3.42Å; K130-N133 VanDerWaalsContact CE-ND2 3.27Å; K130-N133 WeakPolarHBondContact CE-ND2 3.5Å; K130-N133 WeakPolarHBondContact CE-OD1 3.23Å; K130-N133 HydrophobicContact CG-CB 4.04Å; K130-N133 PolarHBondContact O-N 3.18Å; K130-I134 WeakPolarHBondContact O-CG1 3.21Å; K130-I134 PolarHBondContact O-N 3.34Å; K130-Y169 HydrophobicContact CB-CD1 3.87Å; K130-Y169 HydrophobicContact CB-CD2 3.65Å; K130-Y169 HydrophobicContact CB-CE1 3.81Å; K130-Y169 HydrophobicContact CB-CE2 3.54Å; K130-Y169 HydrophobicContact CB-CG 3.81Å
131S95.1Very high92.1Very high0 Ų035.5 Ų35.50%018%0.177CC..G310 helixtrans-59.3-25.5-176.449.40000113.7L87 L88 N133 Y169 E195L87-S131 WeakPolarHBondContact CB-O 3.44Å; L87-S131 PolarHBondContact N-O 2.92Å; L87-S131 VanDerWaalsContact N-O 3.09Å; L88-S131 PolarHBondContact N-O 3.09Å; L88-S131 VanDerWaalsContact N-O 3.13Å; S131-N133 VanDerWaalsContact C-N 3.34Å; S131-N133 PolarHBondContact O-N 2.99Å; S131-Y169 PolarHBondContact OG-OH 3.22Å; S131-E195 VanDerWaalsContact CB-OE2 3.23Å; S131-E195 WeakPolarHBondContact CB-OE2 3.48Å; S131-E195 PolarHBondContact OG-OE2 2.8Å
132K92.1Very high92.3Very high84 Ų8431.7 Ų31.737%0.36516%0.157SC..G310 helixtrans-69.5-25.4173.1-170.7173.2179.1-178.50114.4D86 L88 K130 F399D86-K132 WeakPolarHBondContact CB-O 3.47Å; L88-K132 HydrophobicContact CB-CB 4.4Å; L88-K132 HydrophobicContact CD2-CB 4.19Å; K130-K132 HydrophobicContact CG-CB 4.28Å; K130-K132 PolarHBondContact O-N 2.98Å; K132-F399 HydrophobicContact CD-CE1 4.34Å; K132-F399 HydrophobicContact CD-CZ 4.39Å
133N93.8Very high92.7Very high11 Ų1130.3 Ų30.36%0.05915%0.151CC..G310 helixtrans-104.710.7-177.9-72.48.2000112.7D128 K130 S131 F135 G145 D146D128-N133 PolarHBondContact O-ND2 3.05Å; D128-N133 PolarHBondContact OD2-ND2 3.36Å; K130-N133 VanDerWaalsContact CE-CG 3.42Å; K130-N133 VanDerWaalsContact CE-ND2 3.27Å; K130-N133 WeakPolarHBondContact CE-ND2 3.5Å; K130-N133 WeakPolarHBondContact CE-OD1 3.23Å; K130-N133 HydrophobicContact CG-CB 4.04Å; K130-N133 PolarHBondContact O-N 3.18Å; S131-N133 VanDerWaalsContact C-N 3.34Å; S131-N133 PolarHBondContact O-N 2.99Å; N133-F135 WeakPolarHBondContact O-CE2 3.48Å; N133-G145 PolarHBondContact O-N 3.05Å; N133-D146 HydrophobicContact CB-CB 4.15Å; N133-D146 WeakPolarHBondContact ND2-CB 3.38Å; N133-D146 PolarHBondContact ND2-OD2 3.48Å
134I97.4Very high93.1Very high0 Ų027.7 Ų27.70%014%0.141CC..EExtended strand (participates in β ladder)trans-118.6117.6178.8-60.6171.6000107.1D86 L87 M112 K130 V142 L144 V192D86-I134 CarbonylContact C-O 3.58Å; D86-I134 WeakPolarHBondContact CA-O 3.15Å; L87-I134 HydrophobicContact CD1-CB 3.91Å; L87-I134 HydrophobicContact CD1-CG2 3.4Å; L87-I134 VanDerWaalsContact CD1-CG2 3.4Å; L87-I134 HydrophobicContact CG-CB 4.26Å; L87-I134 HydrophobicContact CG-CG2 3.93Å; L87-I134 PolarHBondContact N-O 3.46Å; M112-I134 HydrophobicContact CG-CG2 4.2Å; M112-I134 HydrophobicContact SD-CD1 3.65Å; M112-I134 HydrophobicContact SD-CG2 4.04Å; K130-I134 WeakPolarHBondContact O-CG1 3.21Å; K130-I134 PolarHBondContact O-N 3.34Å; I134-V142 HydrophobicContact CG2-CG1 3.33Å; I134-L144 HydrophobicContact CD1-CD2 4.07Å; I134-L144 HydrophobicContact CG1-CD2 3.8Å; I134-L144 HydrophobicContact CG2-CD2 4.21Å; I134-V192 HydrophobicContact CD1-CB 4.49Å; I134-V192 HydrophobicContact CD1-CG1 4.04Å; I134-V192 HydrophobicContact CD1-CG2 3.99Å
135F96.9Very high93.3Very high55 Ų5527.7 Ų27.724%0.24114%0.141CC..EExtended strand (participates in β ladder)trans-107152.9-168.5-54.2-78.2000111.8V63 C82 G85 D86 N133 V142 K143V63-F135 HydrophobicContact CG2-CD2 3.76Å; V63-F135 HydrophobicContact CG2-CE2 4.3Å; C82-F135 HydrophobicContact CB-CB 3.57Å; C82-F135 HydrophobicContact CB-CG 4.38Å; G85-F135 CarbonylContact O-C 3.58Å; G85-F135 WeakPolarHBondContact O-CA 3.49Å; D86-F135 HydrophobicContact CB-CD1 3.98Å; D86-F135 HydrophobicContact CB-CE1 4.09Å; N133-F135 WeakPolarHBondContact O-CE2 3.48Å; F135-V142 CarbonylContact O-C 3.54Å; F135-V142 WeakPolarHBondContact O-CA 3.38Å; F135-K143 PolarHBondContact N-O 3.19Å; F135-K143 PolarHBondContact O-N 2.89Å
136L96.6Very high93.1Very high0 Ų029.6 Ų29.60%015%0.151CC..EExtended strand (participates in β ladder)trans-106.6131.9171.8-68.6174.5000110.1C82 G84 G85 L87 R90 W108 S141 V142C82-L136 CarbonylContact C-O 3.6Å; C82-L136 WeakPolarHBondContact CB-O 3.18Å; G84-L136 CarbonylContact C-O 3.57Å; G84-L136 WeakPolarHBondContact CA-O 3.41Å; G84-L136 PolarHBondContact N-O 2.83Å; G85-L136 PolarHBondContact O-N 3.22Å; L87-L136 HydrophobicContact CD2-CD1 3.8Å; L87-L136 HydrophobicContact CD2-CD2 3.98Å; L87-L136 HydrophobicContact CD2-CG 3.82Å; R90-L136 HydrophobicContact CB-CD1 4.14Å; R90-L136 HydrophobicContact CG-CD1 3.94Å; W108-L136 HydrophobicContact CZ2-CD1 4.3Å; W108-L136 HydrophobicContact CZ2-CD2 4.48Å; L136-S141 CarbonylContact C-O 3.56Å; L136-S141 WeakPolarHBondContact CA-O 3.45Å; L136-V142 HydrophobicContact CD2-CG2 3.71Å
137T93.6Very high92.6Very high16 Ų1629.7 Ų29.710%0.09815%0.152CC..  trans-75.8172.6167.7540000111.2D139 S140 S141 K143T137-D139 WeakPolarHBondContact CB-OD1 3.34Å; T137-D139 PolarHBondContact O-N 3.48Å; T137-D139 PolarHBondContact OG1-OD1 3.39Å; T137-S140 WeakPolarHBondContact O-CA 3.28Å; T137-S140 PolarHBondContact O-N 3.34Å; T137-S141 WeakPolarHBondContact CG2-OG 3.46Å; T137-S141 PolarHBondContact N-O 2.86Å; T137-S141 WeakPolarHBondContact OG1-CA 3.38Å; T137-S141 WeakPolarHBondContact OG1-CB 3.28Å; T137-S141 PolarHBondContact OG1-N 2.84Å; T137-S141 PolarHBondContact OG1-O 2.86Å; T137-S141 VanDerWaalsContact OG1-O 3.13Å; T137-S141 PolarHBondContact OG1-OG 2.83Å; T137-K143 HydrophobicContact CG2-CD 3.52Å; T137-K143 HydrophobicContact CG2-CG 4.19Å
138D90.8Very high91.9Very high132 Ų13229.2 Ų29.271%0.70616%0.164SC*.THydrogen-bonded Turntrans-61.8-30.7178-60.7-57.7000112.8G83 S140G83-D138 VanDerWaalsContact CA-OD1 3.32Å; G83-D138 WeakPolarHBondContact CA-OD1 3.5Å; D138-S140 PolarHBondContact O-N 2.68Å
139D90.3Very high91.3Very high107 Ų10730 Ų3057%0.57217%0.171SC*.THydrogen-bonded Turntrans-84.813.3172.969.1-34.1000113.6T137 S141T137-D139 WeakPolarHBondContact CB-OD1 3.34Å; T137-D139 PolarHBondContact O-N 3.48Å; T137-D139 PolarHBondContact OG1-OD1 3.39Å; D139-S141 VanDerWaalsContact C-N 3.26Å; D139-S141 PolarHBondContact O-N 2.88Å
140S90.4Very high90.4Very high42 Ų4230.3 Ų30.329%0.29417%0.174SC..  trans59.331.8179-590000114.3W108 T137 D138W108-S140 PolarHBondContact NE1-O 3.26Å; W108-S140 VanDerWaalsContact NE1-O 3.11Å; T137-S140 WeakPolarHBondContact O-CA 3.28Å; T137-S140 PolarHBondContact O-N 3.34Å; D138-S140 PolarHBondContact O-N 2.68Å
141S93.6Very high89.6Confident16 Ų1630.1 Ų30.111%0.11217%0.174CC..  trans-87.1149.4167.186.60000110.6L136 T137 D139L136-S141 CarbonylContact C-O 3.56Å; L136-S141 WeakPolarHBondContact CA-O 3.45Å; T137-S141 WeakPolarHBondContact CG2-OG 3.46Å; T137-S141 PolarHBondContact N-O 2.86Å; T137-S141 WeakPolarHBondContact OG1-CA 3.38Å; T137-S141 WeakPolarHBondContact OG1-CB 3.28Å; T137-S141 PolarHBondContact OG1-N 2.84Å; T137-S141 PolarHBondContact OG1-O 2.86Å; T137-S141 VanDerWaalsContact OG1-O 3.13Å; T137-S141 PolarHBondContact OG1-OG 2.83Å; D139-S141 VanDerWaalsContact C-N 3.26Å; D139-S141 PolarHBondContact O-N 2.88Å
142V96.3Very high88.7Confident0 Ų030.5 Ų30.50%018%0.177CC..EExtended strand (participates in β ladder)trans-90.9139.3-179170.90000111.5N61 W108 Q111 M112 I134 F135 L136N61-V142 VanDerWaalsContact CA-O 3.29Å; N61-V142 WeakPolarHBondContact CA-O 3.43Å; N61-V142 WeakPolarHBondContact CB-O 3.33Å; N61-V142 PolarHBondContact ND2-O 2.85Å; W108-V142 HydrophobicContact CB-CG2 3.68Å; W108-V142 VanDerWaalsContact CD1-CG2 3.49Å; W108-V142 HydrophobicContact CG-CG2 3.7Å; Q111-V142 HydrophobicContact CB-CB 4.01Å; M112-V142 HydrophobicContact CG-CG1 3.58Å; I134-V142 HydrophobicContact CG2-CG1 3.33Å; F135-V142 CarbonylContact O-C 3.54Å; F135-V142 WeakPolarHBondContact O-CA 3.38Å; L136-V142 HydrophobicContact CD2-CG2 3.71Å
143K96.9Very high87.2Confident21 Ų2128.8 Ų28.89%0.09117%0.171CC..EExtended strand (participates in β ladder)trans-131.1124.8170.4-70.8174.1170.6-72.30111.3P60 N61 V63 E80 F135 T137P60-K143 PolarHBondContact O-NZ 3.34Å; N61-K143 WeakPolarHBondContact O-CA 3.43Å; V63-K143 HydrophobicContact CG2-CB 3.91Å; E80-K143 VanDerWaalsContact CD-NZ 3.32Å; E80-K143 WeakPolarHBondContact OE1-CD 3.5Å; E80-K143 WeakPolarHBondContact OE1-CE 3.48Å; E80-K143 IonicContact OE1-NZ 2.8Å; E80-K143 PolarHBondContact OE1-NZ 3.29Å; E80-K143 WeakPolarHBondContact OE2-CE 3.37Å; E80-K143 IonicContact OE2-NZ 2.86Å; E80-K143 PolarHBondContact OE2-NZ 3.41Å; F135-K143 PolarHBondContact N-O 3.19Å; F135-K143 PolarHBondContact O-N 2.89Å; T137-K143 HydrophobicContact CG2-CD 3.52Å; T137-K143 HydrophobicContact CG2-CG 4.19Å
144L97.3Very high85.4Confident0 Ų032.6 Ų32.60%019%0.191CC..EExtended strand (participates in β ladder)trans-74.9133.7170.9-54.7-178.3000109.5N61 I62 V63 M112 A116 I119 L129 I134N61-L144 PolarHBondContact O-N 2.85Å; I62-L144 CarbonylContact C-O 3.55Å; I62-L144 WeakPolarHBondContact CA-O 3.48Å; V63-L144 WeakPolarHBondContact CG2-O 3.21Å; V63-L144 PolarHBondContact N-O 2.71Å; M112-L144 HydrophobicContact CB-CD2 4.38Å; M112-L144 HydrophobicContact CG-CD2 4.14Å; A116-L144 HydrophobicContact CB-CD1 4.19Å; I119-L144 HydrophobicContact CD1-CD1 4.02Å; L129-L144 HydrophobicContact CD2-CD1 4.22Å; L129-L144 HydrophobicContact CD2-CD2 4.07Å; I134-L144 HydrophobicContact CD1-CD2 4.07Å; I134-L144 HydrophobicContact CG1-CD2 3.8Å; I134-L144 HydrophobicContact CG2-CD2 4.21Å
145G92Very high83.1Confident0 Ų033.9 Ų33.90%020%0.201CC..  trans-142.1-172.7177.200000113.3H126 N133H126-G145 PolarHBondContact CE1-O 3.17Å; H126-G145 PolarHBondContact NE2-O 3.1Å; N133-G145 PolarHBondContact O-N 3.05Å
146D84Confident80.4Confident43 Ų4336.2 Ų36.223%0.2322%0.224CC..  trans61.680.7-176.6-164.814.7000114.3K33 H126 N133 G148K33-D146 IonicContact NZ-OD1 3.68Å; K33-D146 PolarHBondContact NZ-OD1 2.9Å; H126-D146 PolarHBondContact CE1-O 3.36Å; N133-D146 HydrophobicContact CB-CB 4.15Å; N133-D146 WeakPolarHBondContact ND2-CB 3.38Å; N133-D146 PolarHBondContact ND2-OD2 3.48Å; D146-G148 PolarHBondContact O-N 2.86Å
147F80.9Confident77.8Confident1 Ų141.9 Ų41.90%0.00425%0.248CC..  trans-88.415178.9-75.3-107.8000112.6E50 L54 M57 I62 I119 S149 A150E50-F147 HydrophobicContact CG-CB 4.03Å; L54-F147 HydrophobicContact CD1-CD2 3.56Å; L54-F147 HydrophobicContact CD1-CE2 3.6Å; L54-F147 HydrophobicContact CD1-CG 4.3Å; L54-F147 HydrophobicContact CD1-CZ 4.38Å; M57-F147 HydrophobicContact CB-CZ 4.37Å; M57-F147 HydrophobicContact CE-CE1 4.38Å; M57-F147 HydrophobicContact CG-CE1 3.75Å; M57-F147 HydrophobicContact CG-CZ 4.03Å; M57-F147 HydrophobicContact SD-CE1 4.49Å; I62-F147 HydrophobicContact CG2-CE2 3.72Å; I62-F147 HydrophobicContact CG2-CZ 3.69Å; I119-F147 HydrophobicContact CD1-CE1 4Å; I119-F147 HydrophobicContact CD1-CZ 3.75Å; I119-F147 HydrophobicContact CG1-CE1 4.18Å; I119-F147 HydrophobicContact CG1-CZ 4.17Å; F147-S149 PolarHBondContact O-N 2.89Å; F147-A150 HydrophobicContact CB-CB 4.03Å; F147-A150 HydrophobicContact CD1-CB 3.81Å; F147-A150 HydrophobicContact CG-CB 4.33Å; F147-A150 WeakPolarHBondContact O-CB 3.47Å; F147-A150 PolarHBondContact O-N 2.88Å
148G76.2Confident75.3Confident44 Ų4441.8 Ų41.845%0.45425%0.249SC..THydrogen-bonded Turntrans-59.9-28.8-176.900000114.1D146D146-G148 PolarHBondContact O-N 2.86Å
149S74.6Confident73.1Confident44 Ų4443 Ų4331%0.30825%0.245SC..THydrogen-bonded Turntrans-100.5-5.5178.1-610000113.6R127 F147R127-S149 WeakPolarHBondContact CD-O 3.34Å; R127-S149 PolarHBondContact NH1-O 3.11Å; F147-S149 PolarHBondContact O-N 2.89Å
150A76.2Confident70.5Confident7 Ų741.8 Ų41.86%0.05825%0.25CC..  trans-67147.6-171.800000111.8L53 V124 L125 F147L53-A150 HydrophobicContact CD1-CB 3.76Å; V124-A150 HydrophobicContact CG1-CB 4.17Å; L125-A150 WeakPolarHBondContact O-CA 3.39Å; L125-A150 WeakPolarHBondContact O-CB 3.29Å; F147-A150 HydrophobicContact CB-CB 4.03Å; F147-A150 HydrophobicContact CD1-CB 3.81Å; F147-A150 HydrophobicContact CG-CB 4.33Å; F147-A150 WeakPolarHBondContact O-CB 3.47Å; F147-A150 PolarHBondContact O-N 2.88Å
151C77.2Confident68Low9 Ų946.7 Ų46.76%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-146.9148.4-176.3-170.20000111.6V124 L125V124-C151 CarbonylContact C-O 3.59Å; V124-C151 WeakPolarHBondContact CA-O 3.42Å; L125-C151 PolarHBondContact N-O 2.88Å; L125-C151 PolarHBondContact O-N 3.31Å
152V76.1Confident65.4Low9 Ų949.8 Ų49.86%0.05530%0.295CS..EExtended strand (participates in β ladder)trans-76.9139.4170.3-176.80000109.5L53 R123 V124 N154 S155 V454 V457L53-V152 HydrophobicContact CD2-CG2 4.13Å; R123-V152 WeakPolarHBondContact O-CA 3.27Å; V124-V152 HydrophobicContact CG2-CG2 4.32Å; V152-N154 PolarHBondContact O-N 3.3Å; V152-S155 PolarHBondContact O-N 2.83Å; V152-V454 HydrophobicContact CG1-CG1 3.7Å; V152-V454 HydrophobicContact CG1-CG2 4.44Å; V152-V457 HydrophobicContact CG2-CG1 4.1Å
153L60Low62.8Low47 Ų4753.3 Ų53.325%0.24631%0.309CS..THydrogen-bonded Turntrans-63.6-17.7-172.7-91.6118000115.8R123 L125 F445R123-L153 HydrophobicContact CB-CD1 4.31Å; R123-L153 VanDerWaalsContact O-CD1 3.3Å; R123-L153 WeakPolarHBondContact O-CD1 3.44Å; R123-L153 PolarHBondContact O-N 2.69Å; L125-L153 HydrophobicContact CD1-CD1 4.44Å; L125-L153 HydrophobicContact CD1-CD2 4.1Å; L125-L153 HydrophobicContact CD1-CG 3.85Å; L125-L153 HydrophobicContact CD2-CD1 3.78Å; L125-L153 HydrophobicContact CD2-CD2 4.13Å; L125-L153 HydrophobicContact CD2-CG 4.01Å; L125-L153 HydrophobicContact CG-CD1 3.75Å; L125-L153 HydrophobicContact CG-CD2 4.24Å; L125-L153 HydrophobicContact CG-CG 3.72Å; L153-F445 HydrophobicContact CB-CZ 4.5Å; L153-F445 HydrophobicContact CD1-CE1 3.95Å; L153-F445 HydrophobicContact CD1-CE2 4.14Å; L153-F445 HydrophobicContact CD1-CZ 3.3Å; L153-F445 HydrophobicContact CD2-CE2 3.73Å; L153-F445 HydrophobicContact CD2-CZ 3.76Å; L153-F445 HydrophobicContact CG-CE2 4.38Å; L153-F445 HydrophobicContact CG-CZ 4Å
154N55.4Low60Low91 Ų9155.1 Ų55.149%0.48732%0.321SS..THydrogen-bonded Turntrans-88.7-5.2-179.7-73.80.4000113.8V152 S156 E458V152-N154 PolarHBondContact O-N 3.3Å; N154-S156 PolarHBondContact O-N 2.83Å; N154-E458 WeakPolarHBondContact CB-OE1 3.35Å
155S49.5Very low57.6Low28 Ų2856 Ų5620%0.19633%0.33CS..  trans-79.4114.3178-163.50000111.3V152 K157 A158V152-S155 PolarHBondContact O-N 2.83Å; S155-K157 PolarHBondContact O-N 3.25Å; S155-A158 PolarHBondContact O-N 3.17Å
156S40.9Very low56.1Low104 Ų10456.7 Ų56.773%0.72733%0.334SS*.G310 helixtrans-52.8-11.4167.2430000113.9N154N154-S156 PolarHBondContact O-N 2.83Å
157K41.5Very low55.7Low119 Ų11955 Ų5552%0.51733%0.326SS..G310 helixtrans-82.2-1.9173.5-67.9175.2178.7166.40114.8S155 Y159S155-K157 PolarHBondContact O-N 3.25Å; K157-Y159 PolarHBondContact O-N 3.44Å
158A41.5Very low55.9Low14 Ų1455.6 Ų55.612%0.11633%0.328CS..G310 helixtrans-59.6-13.8170.100000113.1S155S155-A158 PolarHBondContact O-N 3.17Å
159Y45.3Very low56.6Low157 Ų15754.2 Ų54.262%0.61631%0.309SS*.G310 helixtrans-94-10.7-166.9-81.9-98.1000116.7K157 P179K157-Y159 PolarHBondContact O-N 3.44Å; Y159-P179 HydrophobicContact CE1-CB 3.73Å; Y159-P179 HydrophobicContact CE1-CG 3.46Å; Y159-P179 VanDerWaalsContact CE1-CG 3.46Å; Y159-P179 HydrophobicContact CE2-CB 4.09Å; Y159-P179 HydrophobicContact CE2-CG 4.47Å; Y159-P179 VanDerWaalsContact CZ-CB 3.47Å; Y159-P179 VanDerWaalsContact CZ-CG 3.41Å; Y159-P179 WeakPolarHBondContact OH-CB 3.32Å; Y159-P179 WeakPolarHBondContact OH-CG 3.44Å
160A35.5Very low57.3Low82 Ų8252.9 Ų52.968%0.67830%0.3SS*.  trans-144.175.1-167.700000113.3
161Q36.8Very low58Low144 Ų14452.6 Ų52.667%0.67330%0.297SS*.  trans-137.8122157.7-72.2-171.7-33.700110.2Y163Q161-Y163 PolarHBondContact O-N 2.97Å
162A39.6Very low58.7Low81 Ų8152.6 Ų52.667%0.66930%0.297SS*.  trans-48.8134.8170.200000109.6V164A162-V164 PolarHBondContact O-N 3.45Å
163Y41.9Very low59.3Low75 Ų7552.4 Ų52.429%0.29430%0.295SS..  trans-55.3121.1-175.1178.7-98.9000112.4Q161 G165 T166 P167 V170 W208Q161-Y163 PolarHBondContact O-N 2.97Å; Y163-G165 VanDerWaalsContact CE1-O 3.24Å; Y163-G165 WeakPolarHBondContact CE1-O 3.1Å; Y163-G165 WeakPolarHBondContact OH-CA 3.12Å; Y163-G165 PolarHBondContact OH-O 3.14Å; Y163-T166 WeakPolarHBondContact OH-CA 3.45Å; Y163-T166 PolarHBondContact OH-N 2.98Å; Y163-T166 VanDerWaalsContact OH-N 3.16Å; Y163-T166 PolarHBondContact OH-O 2.91Å; Y163-P167 HydrophobicContact CE1-CB 4.39Å; Y163-P167 WeakPolarHBondContact OH-CA 3.1Å; Y163-V170 HydrophobicContact CD2-CG2 4.07Å; Y163-V170 HydrophobicContact CE2-CG2 3.2Å; Y163-W208 HydrophobicContact CD1-CH2 4.29Å; Y163-W208 AromaticContact CE1-CH2 3.75Å; Y163-W208 HydrophobicContact CE1-CH2 3.75Å; Y163-W208 HydrophobicContact CE1-CZ3 4.39Å
164V36.7Very low60.6Low58 Ų5852.3 Ų52.335%0.35230%0.295SS..  trans-129.798.1172.9-178.80000107.2A162 F396 T398A162-V164 PolarHBondContact O-N 3.45Å; V164-F396 HydrophobicContact CG2-CD1 4.36Å; V164-T398 VanDerWaalsContact CG1-OG1 3.3Å; V164-T398 WeakPolarHBondContact CG1-OG1 3.26Å
165G48.3Very low61.9Low19 Ų1950.6 Ų50.620%0.19628%0.282CS..SBendtrans171.1-174.1178.800000115.9Y163Y163-G165 VanDerWaalsContact CE1-O 3.24Å; Y163-G165 WeakPolarHBondContact CE1-O 3.1Å; Y163-G165 WeakPolarHBondContact OH-CA 3.12Å; Y163-G165 PolarHBondContact OH-O 3.14Å
166T59.9Low63.3Low14 Ų1453.8 Ų53.89%0.08630%0.296CS..  trans-81.9115.9171.4-390000111.2Y163 Y168 Y169 F399Y163-T166 WeakPolarHBondContact OH-CA 3.45Å; Y163-T166 PolarHBondContact OH-N 2.98Å; Y163-T166 VanDerWaalsContact OH-N 3.16Å; Y163-T166 PolarHBondContact OH-O 2.91Å; T166-Y168 HydrophobicContact CG2-CD2 3.19Å; T166-Y168 HydrophobicContact CG2-CE2 3.62Å; T166-Y168 HydrophobicContact CG2-CG 4.11Å; T166-Y168 PolarHBondContact O-N 2.93Å; T166-Y169 HydrophobicContact CG2-CD2 4.49Å; T166-Y169 HydrophobicContact CG2-CE2 4.18Å; T166-F399 WeakPolarHBondContact OG1-CE1 3.28Å; T166-F399 WeakPolarHBondContact OG1-CE2 3.39Å; T166-F399 WeakPolarHBondContact OG1-CZ 3.44Å
167P75.1Confident65Low8 Ų855.8 Ų55.85%0.05230%0.299CS..G310 helixtrans-69.3-10.1-166.728.5-37.9000115.5Y163 Y169 V170 W175 W208 L211Y163-P167 HydrophobicContact CE1-CB 4.39Å; Y163-P167 WeakPolarHBondContact OH-CA 3.1Å; P167-Y169 PolarHBondContact O-N 3.21Å; P167-V170 PolarHBondContact O-N 3.4Å; P167-W175 HydrophobicContact CB-CZ2 4.23Å; P167-W208 HydrophobicContact CB-CE3 4.24Å; P167-W208 HydrophobicContact CB-CH2 3.3Å; P167-W208 HydrophobicContact CB-CZ2 4.42Å; P167-W208 HydrophobicContact CB-CZ3 3.17Å; P167-W208 HydrophobicContact CG-CH2 3.35Å; P167-W208 HydrophobicContact CG-CZ2 4.05Å; P167-W208 HydrophobicContact CG-CZ3 3.61Å; P167-L211 HydrophobicContact CB-CD2 3.66Å; P167-L211 HydrophobicContact CG-CD2 3.65Å
168Y84.9Confident66.8Low13 Ų1355.6 Ų55.65%0.05130%0.298CS..G310 helixtrans-67.2-13.7-177.1-50.2-50.9000114T166 C191 H201 F203 L211 L409 G411T166-Y168 HydrophobicContact CG2-CD2 3.19Å; T166-Y168 HydrophobicContact CG2-CE2 3.62Å; T166-Y168 HydrophobicContact CG2-CG 4.11Å; T166-Y168 PolarHBondContact O-N 2.93Å; Y168-C191 PolarHBondContact O-SG 3.48Å; Y168-H201 AromaticContact CD2-CD2 3.36Å; Y168-H201 WeakPolarHBondContact CD2-CD2 3.45Å; Y168-H201 AromaticContact CD2-CE1 3.78Å; Y168-H201 AromaticContact CD2-CG 3.85Å; Y168-H201 AromaticContact CD2-NE2 3.36Å; Y168-H201 WeakPolarHBondContact CD2-NE2 3.48Å; Y168-H201 AromaticContact CE2-CD2 3.83Å; Y168-H201 AromaticContact CE2-NE2 3.86Å; Y168-H201 HydrophobicContact CG-CB 4.2Å; Y168-H201 AromaticContact CG-CD2 3.73Å; Y168-H201 AromaticContact CG-CG 3.8Å; Y168-F203 WeakPolarHBondContact CD1-O 3.36Å; Y168-L211 HydrophobicContact CD1-CD1 4.32Å; Y168-L211 HydrophobicContact CD1-CD2 4.22Å; Y168-L211 HydrophobicContact CE1-CD2 4.13Å; Y168-L409 PolarHBondContact OH-O 3.04Å; Y168-G411 VanDerWaalsContact CE2-CA 3.44Å; Y168-G411 WeakPolarHBondContact OH-CA 3.36Å; Y168-G411 PolarHBondContact OH-N 3.15Å; Y168-G411 VanDerWaalsContact OH-N 3.08Å
169Y91.2Very high68.6Low15 Ų1557.2 Ų57.26%0.05931%0.308CS..G310 helixtrans-107.5-0.6-179-55.3-87.1000114.1K130 S131 T166 P167 S188 C191 V192 E195K130-Y169 HydrophobicContact CB-CD1 3.87Å; K130-Y169 HydrophobicContact CB-CD2 3.65Å; K130-Y169 HydrophobicContact CB-CE1 3.81Å; K130-Y169 HydrophobicContact CB-CE2 3.54Å; K130-Y169 HydrophobicContact CB-CG 3.81Å; S131-Y169 PolarHBondContact OG-OH 3.22Å; T166-Y169 HydrophobicContact CG2-CD2 4.49Å; T166-Y169 HydrophobicContact CG2-CE2 4.18Å; P167-Y169 PolarHBondContact O-N 3.21Å; Y169-S188 PolarHBondContact O-OG 2.85Å; Y169-C191 HydrophobicContact CD1-CB 3.59Å; Y169-C191 HydrophobicContact CE1-CB 4Å; Y169-C191 HydrophobicContact CG-CB 4.48Å; Y169-V192 HydrophobicContact CD1-CG2 4.26Å; Y169-V192 HydrophobicContact CE1-CG2 3.86Å; Y169-E195 WeakPolarHBondContact CE1-OE1 3.38Å; Y169-E195 PolarHBondContact OH-OE1 3.28Å; Y169-E195 PolarHBondContact OH-OE2 3.25Å
170V89.2Confident70.5Confident17 Ų1751.2 Ų51.210%0.10328%0.284CS..  trans-82.8127.1-171.3-175.70000110.8Y163 P167 I174 W175 W187Y163-V170 HydrophobicContact CD2-CG2 4.07Å; Y163-V170 HydrophobicContact CE2-CG2 3.2Å; P167-V170 PolarHBondContact O-N 3.4Å; V170-I174 HydrophobicContact CG1-CB 3.7Å; V170-I174 HydrophobicContact CG1-CG1 4.28Å; V170-I174 HydrophobicContact CG1-CG2 3.85Å; V170-W175 HydrophobicContact CB-CZ2 3.72Å; V170-W175 HydrophobicContact CG1-CD2 4.27Å; V170-W175 HydrophobicContact CG1-CZ2 3.75Å; V170-W175 HydrophobicContact CG2-CZ2 3.98Å; V170-W187 PolarHBondContact O-NE1 2.85Å
171A91.5Very high73Confident1 Ų149.1 Ų49.11%0.00826%0.261CS..  trans-73.4151.1-179.800000112.6E173 I174 W187A171-E173 VanDerWaalsContact C-N 3.29Å; A171-E173 VanDerWaalsContact CB-CD 3.43Å; A171-E173 HydrophobicContact CB-CG 4.42Å; A171-E173 WeakPolarHBondContact CB-OE1 3.43Å; A171-E173 VanDerWaalsContact CB-OE2 3.3Å; A171-E173 WeakPolarHBondContact CB-OE2 3.49Å; A171-E173 PolarHBondContact O-N 2.71Å; A171-I174 HydrophobicContact CB-CG1 4.43Å; A171-I174 WeakPolarHBondContact O-CB 3.37Å; A171-I174 PolarHBondContact O-N 3.05Å; A171-W187 HydrophobicContact CB-CB 3.78Å; A171-W187 HydrophobicContact CB-CD2 4.17Å; A171-W187 HydrophobicContact CB-CG 3.67Å
172P92.4Very high75.6Confident9 Ų943.1 Ų43.16%0.05823%0.234CC..Hα-helixtrans-52.7-39.7-179-29.235.2000114.9I174 W175 D176 W187 V215 T241P172-I174 PolarHBondContact O-N 3.4Å; P172-W175 WeakPolarHBondContact O-CB 3.44Å; P172-W175 PolarHBondContact O-N 2.78Å; P172-W175 VanDerWaalsContact O-N 3.13Å; P172-D176 PolarHBondContact O-N 2.83Å; P172-W187 VanDerWaalsContact CD-CZ3 3.5Å; P172-W187 HydrophobicContact CG-CE3 4.16Å; P172-W187 HydrophobicContact CG-CH2 3.47Å; P172-W187 VanDerWaalsContact CG-CH2 3.47Å; P172-W187 HydrophobicContact CG-CZ2 3.97Å; P172-W187 HydrophobicContact CG-CZ3 3.57Å; P172-V215 HydrophobicContact CB-CG1 4.38Å; P172-V215 HydrophobicContact CG-CG1 3.81Å; P172-T241 HydrophobicContact CG-CG2 4.41Å
173E89.1Confident78.3Confident4 Ų439.9 Ų39.92%0.01921%0.205CC..Hα-helixtrans-61.6-30.7-179.763.8-89.2-154.800112.4A171 D176 N177 K178 S184 R246A171-E173 VanDerWaalsContact C-N 3.29Å; A171-E173 VanDerWaalsContact CB-CD 3.43Å; A171-E173 HydrophobicContact CB-CG 4.42Å; A171-E173 WeakPolarHBondContact CB-OE1 3.43Å; A171-E173 VanDerWaalsContact CB-OE2 3.3Å; A171-E173 WeakPolarHBondContact CB-OE2 3.49Å; A171-E173 PolarHBondContact O-N 2.71Å; E173-D176 CarbonylContact O-C 3.56Å; E173-D176 PolarHBondContact O-N 2.81Å; E173-N177 PolarHBondContact O-N 2.81Å; E173-K178 HydrophobicContact CB-CB 3.87Å; E173-K178 HydrophobicContact CB-CD 4.26Å; E173-K178 WeakPolarHBondContact O-CA 3.27Å; E173-K178 VanDerWaalsContact O-CB 3.28Å; E173-K178 WeakPolarHBondContact O-CB 3.47Å; E173-K178 PolarHBondContact O-N 3.01Å; E173-S184 WeakPolarHBondContact OE1-CA 3.32Å; E173-S184 WeakPolarHBondContact OE1-CB 3.27Å; E173-S184 PolarHBondContact OE1-OG 2.86Å; E173-R246 IonicContact OE1-CZ 2.73Å; E173-R246 IonicContact OE1-NH1 3.54Å; E173-R246 PolarHBondContact OE1-NH1 2.94Å; E173-R246 IonicContact OE1-NH2 3.27Å; E173-R246 IonicContact OE2-CZ 3.15Å; E173-R246 IonicContact OE2-NH1 3.3Å; E173-R246 PolarHBondContact OE2-NH1 3.32Å; E173-R246 IonicContact OE2-NH2 2.77Å; E173-R246 PolarHBondContact OE2-NH2 2.97Å
174I86.4Confident80.8Confident46 Ų4636.3 Ų36.324%0.23619%0.191CC..Hα-helixtrans-71.5-36.3178.2-51.8-52.6000110.8V170 A171 P172 D176 N177 Y180V170-I174 HydrophobicContact CG1-CB 3.7Å; V170-I174 HydrophobicContact CG1-CG1 4.28Å; V170-I174 HydrophobicContact CG1-CG2 3.85Å; A171-I174 HydrophobicContact CB-CG1 4.43Å; A171-I174 WeakPolarHBondContact O-CB 3.37Å; A171-I174 PolarHBondContact O-N 3.05Å; P172-I174 PolarHBondContact O-N 3.4Å; I174-D176 PolarHBondContact O-N 3.11Å; I174-N177 PolarHBondContact O-N 2.63Å; I174-Y180 HydrophobicContact CD1-CD2 3.48Å; I174-Y180 VanDerWaalsContact CD1-CD2 3.48Å; I174-Y180 HydrophobicContact CD1-CE2 4.43Å; I174-Y180 HydrophobicContact CD1-CG 3.97Å; I174-Y180 HydrophobicContact CG1-CD2 3.92Å; I174-Y180 HydrophobicContact CG1-CE2 4.45Å
175W82.3Confident83.6Confident55 Ų5533.6 Ų33.621%0.20817%0.174CC..Hα-helixtrans-67.9-24.8173.3-62.8112.8000112.9P167 V170 P172 N177 W208 I212P167-W175 HydrophobicContact CB-CZ2 4.23Å; V170-W175 HydrophobicContact CB-CZ2 3.72Å; V170-W175 HydrophobicContact CG1-CD2 4.27Å; V170-W175 HydrophobicContact CG1-CZ2 3.75Å; V170-W175 HydrophobicContact CG2-CZ2 3.98Å; P172-W175 WeakPolarHBondContact O-CB 3.44Å; P172-W175 PolarHBondContact O-N 2.78Å; P172-W175 VanDerWaalsContact O-N 3.13Å; W175-N177 VanDerWaalsContact C-N 3.3Å; W175-W208 HydrophobicContact CH2-CE3 4.12Å; W175-W208 AromaticContact CH2-CZ3 3.53Å; W175-W208 HydrophobicContact CH2-CZ3 3.53Å; W175-W208 HydrophobicContact CZ2-CZ3 4.18Å; W175-W208 HydrophobicContact CZ3-CZ3 4.35Å; W175-I212 HydrophobicContact CB-CG2 4.08Å; W175-I212 HydrophobicContact CD2-CD1 4.31Å; W175-I212 HydrophobicContact CD2-CG1 3.77Å; W175-I212 HydrophobicContact CD2-CG2 4.39Å; W175-I212 HydrophobicContact CE3-CD1 3.68Å; W175-I212 HydrophobicContact CE3-CG1 3.65Å; W175-I212 HydrophobicContact CG-CG1 4.36Å; W175-I212 HydrophobicContact CG-CG2 4.15Å; W175-I212 HydrophobicContact CH2-CG1 4.41Å; W175-I212 HydrophobicContact CZ2-CG1 4.44Å; W175-I212 HydrophobicContact CZ3-CD1 3.86Å; W175-I212 HydrophobicContact CZ3-CG1 4Å
176D79.4Confident86Confident94 Ų9432.7 Ų32.750%0.50317%0.165SC..THydrogen-bonded Turntrans-9114.1175.8-161.528.1000112.7P172 E173 I174 K178P172-D176 PolarHBondContact O-N 2.83Å; E173-D176 CarbonylContact O-C 3.56Å; E173-D176 PolarHBondContact O-N 2.81Å; I174-D176 PolarHBondContact O-N 3.11Å; D176-K178 HydrophobicContact CB-CD 4.34Å; D176-K178 HydrophobicContact CB-CG 4.45Å; D176-K178 PolarHBondContact O-N 3.28Å; D176-K178 VanDerWaalsContact O-N 3.08Å; D176-K178 WeakPolarHBondContact OD2-CE 3.44Å; D176-K178 IonicContact OD2-NZ 2.7Å; D176-K178 PolarHBondContact OD2-NZ 2.82Å
177N75.5Confident87.8Confident146 Ų14632 Ų3278%0.78116%0.161SC*.THydrogen-bonded Turntrans53.326.5-175.9-65.5-48.4000114.3E173 I174 W175E173-N177 PolarHBondContact O-N 2.81Å; I174-N177 PolarHBondContact O-N 2.63Å; W175-N177 VanDerWaalsContact C-N 3.3Å
178K81.3Confident88.9Confident115 Ų11532 Ų3250%0.516%0.16SC..PPolyproline II helixtrans-85.1161.8172.2-72.7170.8175.4151.10110.6E173 D176E173-K178 HydrophobicContact CB-CB 3.87Å; E173-K178 HydrophobicContact CB-CD 4.26Å; E173-K178 WeakPolarHBondContact O-CA 3.27Å; E173-K178 VanDerWaalsContact O-CB 3.28Å; E173-K178 WeakPolarHBondContact O-CB 3.47Å; E173-K178 PolarHBondContact O-N 3.01Å; D176-K178 HydrophobicContact CB-CD 4.34Å; D176-K178 HydrophobicContact CB-CG 4.45Å; D176-K178 PolarHBondContact O-N 3.28Å; D176-K178 VanDerWaalsContact O-N 3.08Å; D176-K178 WeakPolarHBondContact OD2-CE 3.44Å; D176-K178 IonicContact OD2-NZ 2.7Å; D176-K178 PolarHBondContact OD2-NZ 2.82Å
179P78.8Confident89.5Confident49 Ų4931.3 Ų31.332%0.31816%0.158SC..PPolyproline II helixtrans-68.5138.5-174.5-10.424.8000111.8Y159 N181Y159-P179 HydrophobicContact CE1-CB 3.73Å; Y159-P179 HydrophobicContact CE1-CG 3.46Å; Y159-P179 VanDerWaalsContact CE1-CG 3.46Å; Y159-P179 HydrophobicContact CE2-CB 4.09Å; Y159-P179 HydrophobicContact CE2-CG 4.47Å; Y159-P179 VanDerWaalsContact CZ-CB 3.47Å; Y159-P179 VanDerWaalsContact CZ-CG 3.41Å; Y159-P179 WeakPolarHBondContact OH-CB 3.32Å; Y159-P179 WeakPolarHBondContact OH-CG 3.44Å; P179-N181 PolarHBondContact O-ND2 3.42Å
180Y85.8Confident89.9Confident31 Ų3130.6 Ų30.612%0.12216%0.155CC..PPolyproline II helixtrans-65.1136.6167.4-160.3-74000110L125 R127 I174 S184 D185L125-Y180 HydrophobicContact CB-CD1 4.42Å; L125-Y180 HydrophobicContact CB-CE1 4.48Å; L125-Y180 HydrophobicContact CD1-CD1 4.11Å; R127-Y180 HydrophobicContact CB-CE1 4.33Å; R127-Y180 HydrophobicContact CG-CD1 3.74Å; R127-Y180 HydrophobicContact CG-CD2 4.48Å; R127-Y180 HydrophobicContact CG-CE1 3.7Å; R127-Y180 HydrophobicContact CG-CE2 4.48Å; R127-Y180 HydrophobicContact CG-CG 4.15Å; I174-Y180 HydrophobicContact CD1-CD2 3.48Å; I174-Y180 VanDerWaalsContact CD1-CD2 3.48Å; I174-Y180 HydrophobicContact CD1-CE2 4.43Å; I174-Y180 HydrophobicContact CD1-CG 3.97Å; I174-Y180 HydrophobicContact CG1-CD2 3.92Å; I174-Y180 HydrophobicContact CG1-CE2 4.45Å; Y180-S184 VanDerWaalsContact CE1-CB 3.49Å; Y180-D185 WeakPolarHBondContact OH-CA 3.46Å; Y180-D185 PolarHBondContact OH-N 3.45Å; Y180-D185 PolarHBondContact OH-OD1 3.34Å
181N87.5Confident90.3Very high38 Ų3829.8 Ų29.820%0.20315%0.15CC..  trans-142.1-179.5-179.96066.8000111L125 P179 K183 S184 D185L125-N181 VanDerWaalsContact CD2-C 3.46Å; P179-N181 PolarHBondContact O-ND2 3.42Å; N181-K183 PolarHBondContact O-N 2.92Å; N181-K183 VanDerWaalsContact OD1-CA 3.27Å; N181-K183 WeakPolarHBondContact OD1-CA 3.44Å; N181-K183 WeakPolarHBondContact OD1-CB 3.44Å; N181-K183 PolarHBondContact OD1-N 3.4Å; N181-S184 PolarHBondContact N-OG 3.08Å; N181-S184 VanDerWaalsContact N-OG 3.14Å; N181-S184 WeakPolarHBondContact O-CA 3.43Å; N181-S184 WeakPolarHBondContact O-CB 3.37Å; N181-S184 PolarHBondContact O-N 2.84Å; N181-S184 PolarHBondContact O-OG 3.08Å; N181-S184 PolarHBondContact OD1-N 3.08Å; N181-S184 VanDerWaalsContact OD1-N 3.17Å; N181-D185 PolarHBondContact O-N 3.1Å
182N91.3Very high90.6Very high17 Ų1729.8 Ų29.89%0.09115%0.15CC..Hα-helixtrans-60.7-29.9-18063.8-44.9000112.6H120 L125 S184 D185 V186H120-N182 PolarHBondContact CE1-O 3.46Å; L125-N182 HydrophobicContact CD2-CB 4.09Å; L125-N182 VanDerWaalsContact CD2-N 3.29Å; N182-S184 VanDerWaalsContact C-N 3.3Å; N182-D185 WeakPolarHBondContact O-CB 3.38Å; N182-D185 PolarHBondContact O-N 3.05Å; N182-V186 PolarHBondContact O-N 3.32Å
183K96.1Very high90.9Very high14 Ų1429.3 Ų29.36%0.06115%0.147CC..Hα-helixtrans-75-19.2175.3-47.8-62.8-175.878.50112.3N181 V186 W187 P243 R246N181-K183 PolarHBondContact O-N 2.92Å; N181-K183 VanDerWaalsContact OD1-CA 3.27Å; N181-K183 WeakPolarHBondContact OD1-CA 3.44Å; N181-K183 WeakPolarHBondContact OD1-CB 3.44Å; N181-K183 PolarHBondContact OD1-N 3.4Å; K183-V186 WeakPolarHBondContact O-CB 3.3Å; K183-V186 PolarHBondContact O-N 3.45Å; K183-W187 PolarHBondContact O-N 3.22Å; K183-W187 VanDerWaalsContact O-N 3.12Å; K183-P243 HydrophobicContact CB-CB 3.85Å; K183-P243 WeakPolarHBondContact CB-O 3.41Å; K183-P243 WeakPolarHBondContact CG-O 3.42Å; K183-R246 HydrophobicContact CB-CB 4.34Å; K183-R246 HydrophobicContact CD-CB 4.47Å; K183-R246 PolarHBondContact NZ-O 3.13Å; K183-R246 WeakPolarHBondContact O-CD 3.37Å; K183-R246 PolarHBondContact O-NH1 3.44Å
184S94.5Very high91.4Very high0 Ų029.3 Ų29.30%015%0.147CC..Hα-helixtrans-69.8-39.4168.2-47.80000111.1E173 Y180 N181 N182 V186 W187 S188E173-S184 WeakPolarHBondContact OE1-CA 3.32Å; E173-S184 WeakPolarHBondContact OE1-CB 3.27Å; E173-S184 PolarHBondContact OE1-OG 2.86Å; Y180-S184 VanDerWaalsContact CE1-CB 3.49Å; N181-S184 PolarHBondContact N-OG 3.08Å; N181-S184 VanDerWaalsContact N-OG 3.14Å; N181-S184 WeakPolarHBondContact O-CA 3.43Å; N181-S184 WeakPolarHBondContact O-CB 3.37Å; N181-S184 PolarHBondContact O-N 2.84Å; N181-S184 PolarHBondContact O-OG 3.08Å; N181-S184 PolarHBondContact OD1-N 3.08Å; N181-S184 VanDerWaalsContact OD1-N 3.17Å; N182-S184 VanDerWaalsContact C-N 3.3Å; S184-V186 VanDerWaalsContact C-N 3.31Å; S184-V186 PolarHBondContact O-N 3.03Å; S184-W187 WeakPolarHBondContact O-CB 3.27Å; S184-W187 PolarHBondContact O-N 2.87Å; S184-S188 PolarHBondContact O-N 3.02Å; S184-S188 PolarHBondContact O-OG 3.34Å
185D95.8Very high91.9Very high1 Ų127.1 Ų27.11%0.00514%0.136CC..Hα-helixtrans-63-37.8171-82.5-31.9000110.9H120 H126 R127 L129 Y180 N181 N182 W187 S188 L189H120-D185 IonicContact CD2-OD2 2.87Å; H120-D185 IonicContact CE1-OD2 3.2Å; H120-D185 IonicContact NE2-OD2 2.77Å; H120-D185 PolarHBondContact NE2-OD2 2.78Å; H126-D185 PolarHBondContact N-OD2 2.9Å; R127-D185 PolarHBondContact N-OD1 2.91Å; L129-D185 HydrophobicContact CD1-CB 3.77Å; Y180-D185 WeakPolarHBondContact OH-CA 3.46Å; Y180-D185 PolarHBondContact OH-N 3.45Å; Y180-D185 PolarHBondContact OH-OD1 3.34Å; N181-D185 PolarHBondContact O-N 3.1Å; N182-D185 WeakPolarHBondContact O-CB 3.38Å; N182-D185 PolarHBondContact O-N 3.05Å; D185-W187 PolarHBondContact O-N 3.32Å; D185-S188 PolarHBondContact O-N 3.12Å; D185-L189 PolarHBondContact O-N 3.35Å
186V98.4Very high92.7Very high0 Ų024.6 Ų24.60%013%0.126CC..Hα-helixtrans-59.9-43.9174.5173.90000111.3N182 K183 S184 S188 L189 G190 M238 R246 V249 I252N182-V186 PolarHBondContact O-N 3.32Å; K183-V186 WeakPolarHBondContact O-CB 3.3Å; K183-V186 PolarHBondContact O-N 3.45Å; S184-V186 VanDerWaalsContact C-N 3.31Å; S184-V186 PolarHBondContact O-N 3.03Å; V186-S188 VanDerWaalsContact C-N 3.33Å; V186-S188 PolarHBondContact O-N 3.33Å; V186-L189 PolarHBondContact O-N 2.88Å; V186-G190 PolarHBondContact O-N 2.67Å; V186-M238 HydrophobicContact CG1-CB 4.38Å; V186-M238 HydrophobicContact CG1-CE 3.96Å; V186-M238 HydrophobicContact CG1-CG 4.03Å; V186-M238 WeakPolarHBondContact O-CE 3.37Å; V186-R246 HydrophobicContact CG1-CB 4.4Å; V186-V249 HydrophobicContact CG2-CG2 3.83Å; V186-I252 HydrophobicContact CG1-CD1 4.31Å
187W98.1Very high93.5Very high0 Ų020.3 Ų20.30%010%0.103CC..Hα-helixtrans-57.5-47.4174.8176.5-79.3000111.6V170 A171 P172 K183 S184 D185 L189 G190 C191 F203 V215 F239V170-W187 PolarHBondContact O-NE1 2.85Å; A171-W187 HydrophobicContact CB-CB 3.78Å; A171-W187 HydrophobicContact CB-CD2 4.17Å; A171-W187 HydrophobicContact CB-CG 3.67Å; P172-W187 VanDerWaalsContact CD-CZ3 3.5Å; P172-W187 HydrophobicContact CG-CE3 4.16Å; P172-W187 HydrophobicContact CG-CH2 3.47Å; P172-W187 VanDerWaalsContact CG-CH2 3.47Å; P172-W187 HydrophobicContact CG-CZ2 3.97Å; P172-W187 HydrophobicContact CG-CZ3 3.57Å; K183-W187 PolarHBondContact O-N 3.22Å; K183-W187 VanDerWaalsContact O-N 3.12Å; S184-W187 WeakPolarHBondContact O-CB 3.27Å; S184-W187 PolarHBondContact O-N 2.87Å; D185-W187 PolarHBondContact O-N 3.32Å; W187-L189 PolarHBondContact O-N 3.13Å; W187-G190 WeakPolarHBondContact O-CA 3.07Å; W187-G190 PolarHBondContact O-N 3.16Å; W187-C191 PolarHBondContact O-N 3.45Å; W187-F203 AromaticContact CE2-CE2 3.96Å; W187-F203 AromaticContact CH2-CE2 3.9Å; W187-F203 HydrophobicContact CH2-CE2 3.9Å; W187-F203 AromaticContact CH2-CZ 3.68Å; W187-F203 HydrophobicContact CH2-CZ 3.68Å; W187-F203 HydrophobicContact CZ2-CD2 4.02Å; W187-F203 HydrophobicContact CZ2-CE1 4.47Å; W187-F203 AromaticContact CZ2-CE2 3.23Å; W187-F203 HydrophobicContact CZ2-CE2 3.23Å; W187-F203 AromaticContact CZ2-CZ 3.51Å; W187-F203 HydrophobicContact CZ2-CZ 3.51Å; W187-V215 HydrophobicContact CH2-CG1 4.39Å; W187-V215 HydrophobicContact CZ2-CG1 3.85Å; W187-F239 HydrophobicContact CD2-CD1 4.02Å; W187-F239 AromaticContact CE3-CD1 3.99Å; W187-F239 HydrophobicContact CE3-CD1 3.99Å; W187-F239 HydrophobicContact CH2-CB 4.39Å; W187-F239 HydrophobicContact CH2-CD1 4.26Å; W187-F239 HydrophobicContact CZ2-CD1 4.26Å; W187-F239 HydrophobicContact CZ3-CB 4.08Å; W187-F239 HydrophobicContact CZ3-CD1 4.14Å; W187-F239 WeakPolarHBondContact CZ3-O 3.4Å
188S97.3Very high94.5Very high6 Ų614.2 Ų14.24%0.0427%0.072CC..Hα-helixtrans-62.9-39179.7-55.60000112.5L129 Y169 S184 D185 V186 G190 C191 V192L129-S188 WeakPolarHBondContact O-CB 3.5Å; Y169-S188 PolarHBondContact O-OG 2.85Å; S184-S188 PolarHBondContact O-N 3.02Å; S184-S188 PolarHBondContact O-OG 3.34Å; D185-S188 PolarHBondContact O-N 3.12Å; V186-S188 VanDerWaalsContact C-N 3.33Å; V186-S188 PolarHBondContact O-N 3.33Å; S188-G190 VanDerWaalsContact C-N 3.28Å; S188-G190 PolarHBondContact O-N 3.46Å; S188-C191 WeakPolarHBondContact O-CB 3.39Å; S188-C191 PolarHBondContact O-N 2.93Å; S188-V192 PolarHBondContact O-N 3.03Å; S188-V192 VanDerWaalsContact O-N 3.17Å
189L98.4Very high95.2Very high0 Ų09 Ų90%05%0.049CC..Hα-helixtrans-62.3-35169.7-73.7173.3000112.4F109 M112 A116 L129 D185 V186 W187 C191 V192 L193 M238 V249F109-L189 HydrophobicContact CE2-CB 4.43Å; M112-L189 HydrophobicContact CB-CD2 4.12Å; A116-L189 HydrophobicContact CB-CD1 3.81Å; L129-L189 HydrophobicContact CD1-CD1 4.27Å; L129-L189 HydrophobicContact CD1-CD2 4.07Å; L129-L189 HydrophobicContact CD1-CG 3.83Å; D185-L189 PolarHBondContact O-N 3.35Å; V186-L189 PolarHBondContact O-N 2.88Å; W187-L189 PolarHBondContact O-N 3.13Å; L189-C191 VanDerWaalsContact C-N 3.33Å; L189-V192 PolarHBondContact O-N 3.34Å; L189-L193 PolarHBondContact O-N 3.39Å; L189-M238 HydrophobicContact CB-CE 3.77Å; L189-V249 HydrophobicContact CD1-CG2 4.23Å
190G98.6Very high95.9Very high0 Ų09.2 Ų9.20%05%0.046CC..Hα-helixtrans-62.4-41.3174.900000111.4V186 W187 S188 L193 Y194 I235 M238 F239V186-G190 PolarHBondContact O-N 2.67Å; W187-G190 WeakPolarHBondContact O-CA 3.07Å; W187-G190 PolarHBondContact O-N 3.16Å; S188-G190 VanDerWaalsContact C-N 3.28Å; S188-G190 PolarHBondContact O-N 3.46Å; G190-L193 PolarHBondContact O-N 3.21Å; G190-Y194 WeakPolarHBondContact O-CB 3.4Å; G190-Y194 PolarHBondContact O-N 3.26Å; G190-I235 WeakPolarHBondContact O-CD1 3.26Å; G190-M238 VanDerWaalsContact CA-CE 3.44Å; G190-F239 VanDerWaalsContact C-CZ 3.45Å; G190-F239 WeakPolarHBondContact O-CZ 3.48Å
191C98.3Very high96.2Very high0 Ų08 Ų80%04%0.041CC..Hα-helixtrans-60.6-44.6172.9-64.90000112Y168 Y169 W187 S188 L189 Y194 E195 P202Y168-C191 PolarHBondContact O-SG 3.48Å; Y169-C191 HydrophobicContact CD1-CB 3.59Å; Y169-C191 HydrophobicContact CE1-CB 4Å; Y169-C191 HydrophobicContact CG-CB 4.48Å; W187-C191 PolarHBondContact O-N 3.45Å; S188-C191 WeakPolarHBondContact O-CB 3.39Å; S188-C191 PolarHBondContact O-N 2.93Å; L189-C191 VanDerWaalsContact C-N 3.33Å; C191-Y194 PolarHBondContact O-N 3.12Å; C191-E195 VanDerWaalsContact O-CG 3.3Å; C191-E195 WeakPolarHBondContact O-CG 3.3Å; C191-E195 PolarHBondContact O-N 3.23Å; C191-P202 HydrophobicContact CB-CG 4.05Å
192V98.4Very high96.6Very high0 Ų06.3 Ų6.30%03%0.033CC..Hα-helixtrans-65.9-41.7177.6179.50000111.6L87 M112 I134 Y169 S188 L189 Y194 E195 L196L87-V192 HydrophobicContact CD1-CG1 4.2Å; M112-V192 HydrophobicContact CE-CG1 3.99Å; M112-V192 HydrophobicContact SD-CG1 3.73Å; I134-V192 HydrophobicContact CD1-CB 4.49Å; I134-V192 HydrophobicContact CD1-CG1 4.04Å; I134-V192 HydrophobicContact CD1-CG2 3.99Å; Y169-V192 HydrophobicContact CD1-CG2 4.26Å; Y169-V192 HydrophobicContact CE1-CG2 3.86Å; S188-V192 PolarHBondContact O-N 3.03Å; S188-V192 VanDerWaalsContact O-N 3.17Å; L189-V192 PolarHBondContact O-N 3.34Å; V192-Y194 VanDerWaalsContact C-N 3.34Å; V192-Y194 PolarHBondContact O-N 2.62Å; V192-E195 WeakPolarHBondContact O-CB 3.43Å; V192-E195 PolarHBondContact O-N 3.44Å; V192-L196 WeakPolarHBondContact O-CG 3.2Å; V192-L196 PolarHBondContact O-N 3.24Å
193L98.6Very high96.7Very high0 Ų05.6 Ų5.60%03%0.029CC..Hα-helixtrans-61.2-44.1175.2176.658.9000111.3I105 F109 L189 G190 E195 L196 C197 L231 L234 I235 M238I105-L193 HydrophobicContact CG2-CD1 3.67Å; F109-L193 HydrophobicContact CB-CD1 4.1Å; F109-L193 HydrophobicContact CD1-CD1 4.47Å; F109-L193 HydrophobicContact CD1-CD2 4.25Å; F109-L193 HydrophobicContact CD2-CB 3.73Å; F109-L193 HydrophobicContact CD2-CD1 3.89Å; F109-L193 HydrophobicContact CD2-CD2 4.05Å; F109-L193 HydrophobicContact CD2-CG 4.09Å; F109-L193 HydrophobicContact CE1-CD2 4.04Å; F109-L193 HydrophobicContact CE2-CB 3.71Å; F109-L193 HydrophobicContact CE2-CD1 4.48Å; F109-L193 HydrophobicContact CE2-CD2 3.83Å; F109-L193 HydrophobicContact CE2-CG 4.21Å; F109-L193 HydrophobicContact CG-CD1 3.89Å; F109-L193 HydrophobicContact CG-CD2 4.26Å; F109-L193 HydrophobicContact CG-CG 4.46Å; F109-L193 HydrophobicContact CZ-CD2 3.82Å; L189-L193 PolarHBondContact O-N 3.39Å; G190-L193 PolarHBondContact O-N 3.21Å; L193-E195 VanDerWaalsContact C-N 3.31Å; L193-E195 PolarHBondContact O-N 3.17Å; L193-L196 PolarHBondContact O-N 2.86Å; L193-C197 PolarHBondContact O-N 2.75Å; L193-C197 PolarHBondContact O-SG 3.24Å; L193-L231 HydrophobicContact CD1-CD2 4.4Å; L193-L231 HydrophobicContact CD2-CD2 4.43Å; L193-L234 HydrophobicContact CD2-CD2 3.53Å; L193-L234 HydrophobicContact CD2-CG 4.29Å; L193-I235 HydrophobicContact CB-CD1 3.92Å; L193-I235 HydrophobicContact CD2-CD1 3.69Å; L193-I235 HydrophobicContact CD2-CG1 3.96Å; L193-I235 HydrophobicContact CG-CD1 3.78Å; L193-I235 HydrophobicContact CG-CG1 4.23Å; L193-M238 HydrophobicContact CD2-SD 4.3Å
194Y98.5Very high96.1Very high4 Ų47.1 Ų7.12%0.0164%0.036CC..Hα-helixtrans-59.9-42.2175.4-175.6-82.4000111.7G190 C191 V192 L196 C197 T198 Q200 P202 Y220 P221 L223 I235 F239G190-Y194 WeakPolarHBondContact O-CB 3.4Å; G190-Y194 PolarHBondContact O-N 3.26Å; C191-Y194 PolarHBondContact O-N 3.12Å; V192-Y194 VanDerWaalsContact C-N 3.34Å; V192-Y194 PolarHBondContact O-N 2.62Å; Y194-L196 VanDerWaalsContact C-N 3.34Å; Y194-L196 PolarHBondContact O-N 3.2Å; Y194-C197 PolarHBondContact O-N 3.25Å; Y194-C197 VanDerWaalsContact O-N 3.15Å; Y194-T198 HydrophobicContact CD1-CG2 4.09Å; Y194-T198 VanDerWaalsContact CD1-OG1 3.29Å; Y194-T198 WeakPolarHBondContact CD1-OG1 3.33Å; Y194-T198 HydrophobicContact CD2-CG2 4.32Å; Y194-T198 HydrophobicContact CE1-CG2 3.68Å; Y194-T198 WeakPolarHBondContact CE1-OG1 3.33Å; Y194-T198 HydrophobicContact CE2-CG2 3.92Å; Y194-T198 HydrophobicContact CG-CG2 4.39Å; Y194-T198 WeakPolarHBondContact O-CB 3.47Å; Y194-T198 WeakPolarHBondContact O-CG2 3.24Å; Y194-T198 PolarHBondContact O-N 2.94Å; Y194-T198 PolarHBondContact O-OG1 2.8Å; Y194-Q200 VanDerWaalsContact CD1-O 3.31Å; Y194-Q200 WeakPolarHBondContact CD1-O 2.86Å; Y194-P202 HydrophobicContact CD1-CB 3.64Å; Y194-P202 HydrophobicContact CD1-CG 4.15Å; Y194-P202 HydrophobicContact CD2-CB 4.08Å; Y194-P202 HydrophobicContact CE1-CB 3.94Å; Y194-P202 HydrophobicContact CE2-CB 4.36Å; Y194-P202 HydrophobicContact CG-CB 3.72Å; Y194-P202 HydrophobicContact CG-CG 4.29Å; Y194-Y220 HydrophobicContact CD2-CD2 4.23Å; Y194-Y220 AromaticContact CE2-CD2 3.82Å; Y194-Y220 HydrophobicContact CE2-CD2 3.82Å; Y194-Y220 HydrophobicContact CE2-CE2 4.48Å; Y194-P221 VanDerWaalsContact CE2-O 3.29Å; Y194-P221 WeakPolarHBondContact CE2-O 2.69Å; Y194-P221 WeakPolarHBondContact OH-CB 3.46Å; Y194-P221 PolarHBondContact OH-O 2.9Å; Y194-P221 VanDerWaalsContact OH-O 3.14Å; Y194-L223 HydrophobicContact CD2-CD2 3.54Å; Y194-L223 HydrophobicContact CE2-CD2 3.74Å; Y194-L223 HydrophobicContact CG-CD2 4.38Å; Y194-I235 HydrophobicContact CD2-CG2 4.46Å; Y194-F239 HydrophobicContact CD2-CE2 4.17Å; Y194-F239 HydrophobicContact CG-CE2 4.46Å
195E97.7Very high95.6Very high0 Ų07.8 Ų7.80%04%0.042CC..Hα-helixtrans-61.5-39.8175-75.2167.5-168.200112.5I91 S131 Y169 C191 V192 L193 C197 L199 Q200 H201 L413I91-E195 HydrophobicContact CD1-CB 3.84Å; S131-E195 VanDerWaalsContact CB-OE2 3.23Å; S131-E195 WeakPolarHBondContact CB-OE2 3.48Å; S131-E195 PolarHBondContact OG-OE2 2.8Å; Y169-E195 WeakPolarHBondContact CE1-OE1 3.38Å; Y169-E195 PolarHBondContact OH-OE1 3.28Å; Y169-E195 PolarHBondContact OH-OE2 3.25Å; C191-E195 VanDerWaalsContact O-CG 3.3Å; C191-E195 WeakPolarHBondContact O-CG 3.3Å; C191-E195 PolarHBondContact O-N 3.23Å; V192-E195 WeakPolarHBondContact O-CB 3.43Å; V192-E195 PolarHBondContact O-N 3.44Å; L193-E195 VanDerWaalsContact C-N 3.31Å; L193-E195 PolarHBondContact O-N 3.17Å; E195-C197 VanDerWaalsContact C-N 3.3Å; E195-C197 PolarHBondContact O-N 3.28Å; E195-L199 WeakPolarHBondContact O-CA 3.34Å; E195-L199 PolarHBondContact O-N 3.23Å; E195-Q200 WeakPolarHBondContact CA-O 3.08Å; E195-Q200 VanDerWaalsContact CG-O 3.31Å; E195-Q200 WeakPolarHBondContact CG-O 3.38Å; E195-H201 IonicContact OE1-CE1 2.78Å; E195-H201 PolarHBondContact OE1-CE1 2.77Å; E195-H201 VanDerWaalsContact OE1-CE1 3.27Å; E195-H201 IonicContact OE1-CG 3.87Å; E195-H201 IonicContact OE1-ND1 2.68Å; E195-H201 PolarHBondContact OE1-ND1 2.71Å; E195-L413 HydrophobicContact CB-CD1 4.42Å; E195-L413 HydrophobicContact CG-CD1 3.84Å
196L97.9Very high94.9Very high2 Ų211.4 Ų11.41%0.017%0.067CC..Hα-helixtrans-65.7-34.9174.4-67.8179.6000112L87 I91 F100 I105 W108 M112 V192 L193 Y194L87-L196 HydrophobicContact CD2-CD2 4.47Å; I91-L196 HydrophobicContact CD1-CD2 4.28Å; I91-L196 HydrophobicContact CG1-CD2 4.18Å; F100-L196 HydrophobicContact CD2-CD2 4.29Å; F100-L196 WeakPolarHBondContact CD2-O 3.48Å; F100-L196 HydrophobicContact CE2-CD2 4.11Å; I105-L196 HydrophobicContact CG1-CB 4.24Å; I105-L196 HydrophobicContact CG2-CB 4.21Å; W108-L196 HydrophobicContact CB-CD1 4.27Å; W108-L196 HydrophobicContact CE3-CD1 4.21Å; W108-L196 HydrophobicContact CE3-CD2 3.84Å; W108-L196 HydrophobicContact CZ3-CD2 4.06Å; M112-L196 HydrophobicContact CE-CD1 3.62Å; V192-L196 WeakPolarHBondContact O-CG 3.2Å; V192-L196 PolarHBondContact O-N 3.24Å; L193-L196 PolarHBondContact O-N 2.86Å; Y194-L196 VanDerWaalsContact C-N 3.34Å; Y194-L196 PolarHBondContact O-N 3.2Å
197C97.4Very high94Very high3 Ų313.5 Ų13.52%0.028%0.081CC..Hα-helixtrans-76.2-34.2179.2-68.90000113.7L193 Y194 E195 L223 L227L193-C197 PolarHBondContact O-N 2.75Å; L193-C197 PolarHBondContact O-SG 3.24Å; Y194-C197 PolarHBondContact O-N 3.25Å; Y194-C197 VanDerWaalsContact O-N 3.15Å; E195-C197 VanDerWaalsContact C-N 3.3Å; E195-C197 PolarHBondContact O-N 3.28Å; C197-L223 HydrophobicContact CB-CD2 3.74Å; C197-L227 HydrophobicContact CB-CD1 3.61Å
198T96.1Very high93.1Very high19 Ų1918.1 Ų18.112%0.11710%0.099CC..Hα-helixtrans-119.4-14.7-16766.40000114Y194 Q200 L223Y194-T198 HydrophobicContact CD1-CG2 4.09Å; Y194-T198 VanDerWaalsContact CD1-OG1 3.29Å; Y194-T198 WeakPolarHBondContact CD1-OG1 3.33Å; Y194-T198 HydrophobicContact CD2-CG2 4.32Å; Y194-T198 HydrophobicContact CE1-CG2 3.68Å; Y194-T198 WeakPolarHBondContact CE1-OG1 3.33Å; Y194-T198 HydrophobicContact CE2-CG2 3.92Å; Y194-T198 HydrophobicContact CG-CG2 4.39Å; Y194-T198 WeakPolarHBondContact O-CB 3.47Å; Y194-T198 WeakPolarHBondContact O-CG2 3.24Å; Y194-T198 PolarHBondContact O-N 2.94Å; Y194-T198 PolarHBondContact O-OG1 2.8Å; T198-Q200 PolarHBondContact O-N 2.92Å; T198-Q200 PolarHBondContact OG1-N 3.34Å; T198-Q200 VanDerWaalsContact OG1-N 3.12Å; T198-Q200 PolarHBondContact OG1-O 2.86Å; T198-L223 HydrophobicContact CG2-CD2 3.84Å
199L95.9Very high92.3Very high5 Ų523.6 Ų23.63%0.02612%0.122CC..SBendtrans59.720.6-168.4-44.4177.7000113.2I91 Q94 Q95 F100 E195I91-L199 HydrophobicContact CG2-CB 4.09Å; I91-L199 HydrophobicContact CG2-CD2 4.06Å; Q94-L199 HydrophobicContact CB-CD1 4.42Å; Q94-L199 HydrophobicContact CB-CD2 4.2Å; Q94-L199 HydrophobicContact CG-CD1 4.18Å; Q94-L199 HydrophobicContact CG-CD2 4.06Å; Q95-L199 HydrophobicContact CG-CB 3.66Å; Q95-L199 HydrophobicContact CG-CD1 4.1Å; Q95-L199 HydrophobicContact CG-CG 4.48Å; Q95-L199 PolarHBondContact NE2-O 2.71Å; F100-L199 HydrophobicContact CD2-CD2 3.63Å; F100-L199 HydrophobicContact CE2-CD2 3.44Å; F100-L199 VanDerWaalsContact CE2-CD2 3.44Å; F100-L199 HydrophobicContact CZ-CD2 4.4Å; E195-L199 WeakPolarHBondContact O-CA 3.34Å; E195-L199 PolarHBondContact O-N 3.23Å
200Q93.1Very high91.7Very high53 Ų5326 Ų2625%0.24814%0.139CC..SBendtrans-134.9160.4-179.5-64.7-171.9-7.500110.9Y194 E195 T198Y194-Q200 VanDerWaalsContact CD1-O 3.31Å; Y194-Q200 WeakPolarHBondContact CD1-O 2.86Å; E195-Q200 WeakPolarHBondContact CA-O 3.08Å; E195-Q200 VanDerWaalsContact CG-O 3.31Å; E195-Q200 WeakPolarHBondContact CG-O 3.38Å; T198-Q200 PolarHBondContact O-N 2.92Å; T198-Q200 PolarHBondContact OG1-N 3.34Å; T198-Q200 VanDerWaalsContact OG1-N 3.12Å; T198-Q200 PolarHBondContact OG1-O 2.86Å
201H93.3Very high91.1Very high5 Ų526 Ų262%0.02314%0.139CC..  trans-73.8144.2170.5-59.1-61.1000110Y168 E195 Q204 P412Y168-H201 AromaticContact CD2-CD2 3.36Å; Y168-H201 WeakPolarHBondContact CD2-CD2 3.45Å; Y168-H201 AromaticContact CD2-CE1 3.78Å; Y168-H201 AromaticContact CD2-CG 3.85Å; Y168-H201 AromaticContact CD2-NE2 3.36Å; Y168-H201 WeakPolarHBondContact CD2-NE2 3.48Å; Y168-H201 AromaticContact CE2-CD2 3.83Å; Y168-H201 AromaticContact CE2-NE2 3.86Å; Y168-H201 HydrophobicContact CG-CB 4.2Å; Y168-H201 AromaticContact CG-CD2 3.73Å; Y168-H201 AromaticContact CG-CG 3.8Å; E195-H201 IonicContact OE1-CE1 2.78Å; E195-H201 PolarHBondContact OE1-CE1 2.77Å; E195-H201 VanDerWaalsContact OE1-CE1 3.27Å; E195-H201 IonicContact OE1-CG 3.87Å; E195-H201 IonicContact OE1-ND1 2.68Å; E195-H201 PolarHBondContact OE1-ND1 2.71Å; H201-Q204 HydrophobicContact CB-CG 3.75Å; H201-Q204 PolarHBondContact CD2-NE2 2.67Å; H201-Q204 VanDerWaalsContact CD2-NE2 3.31Å; H201-P412 WeakPolarHBondContact NE2-CD 3.45Å
202P94.8Very high90.5Very high4 Ų428.1 Ų28.13%0.02615%0.15CC..SBendtrans-66.2-37.1178.125-34.1000113.2C191 Y194 P221 F239C191-P202 HydrophobicContact CB-CG 4.05Å; Y194-P202 HydrophobicContact CD1-CB 3.64Å; Y194-P202 HydrophobicContact CD1-CG 4.15Å; Y194-P202 HydrophobicContact CD2-CB 4.08Å; Y194-P202 HydrophobicContact CE1-CB 3.94Å; Y194-P202 HydrophobicContact CE2-CB 4.36Å; Y194-P202 HydrophobicContact CG-CB 3.72Å; Y194-P202 HydrophobicContact CG-CG 4.29Å; P202-P221 WeakPolarHBondContact O-CD 3.48Å; P202-F239 HydrophobicContact CB-CE2 3.87Å; P202-F239 HydrophobicContact CB-CZ 3.83Å; P202-F239 HydrophobicContact CG-CE2 4.36Å; P202-F239 HydrophobicContact CG-CZ 3.8Å
203F92.8Very high90Very high1 Ų131.9 Ų31.90%0.00417%0.169CC..SBendtrans-118.4114.1-178.1-52.9-77.8000109.4Y168 W187 L211 K214 V215 A219 Y220 F239Y168-F203 WeakPolarHBondContact CD1-O 3.36Å; W187-F203 AromaticContact CE2-CE2 3.96Å; W187-F203 AromaticContact CH2-CE2 3.9Å; W187-F203 HydrophobicContact CH2-CE2 3.9Å; W187-F203 AromaticContact CH2-CZ 3.68Å; W187-F203 HydrophobicContact CH2-CZ 3.68Å; W187-F203 HydrophobicContact CZ2-CD2 4.02Å; W187-F203 HydrophobicContact CZ2-CE1 4.47Å; W187-F203 AromaticContact CZ2-CE2 3.23Å; W187-F203 HydrophobicContact CZ2-CE2 3.23Å; W187-F203 AromaticContact CZ2-CZ 3.51Å; W187-F203 HydrophobicContact CZ2-CZ 3.51Å; F203-L211 HydrophobicContact CB-CD1 3.83Å; F203-L211 WeakPolarHBondContact O-CD1 3.19Å; F203-K214 HydrophobicContact CD1-CB 4.41Å; F203-V215 HydrophobicContact CB-CG2 3.73Å; F203-V215 HydrophobicContact CD1-CG2 4.1Å; F203-V215 HydrophobicContact CD2-CG2 4.05Å; F203-V215 HydrophobicContact CG-CG2 3.68Å; F203-A219 WeakPolarHBondContact CD1-O 3.32Å; F203-A219 WeakPolarHBondContact CE1-O 3.35Å; F203-Y220 HydrophobicContact CE1-CD1 4.35Å; F203-Y220 HydrophobicContact CZ-CD1 4.21Å; F203-F239 HydrophobicContact CE2-CD1 4.14Å; F203-F239 HydrophobicContact CE2-CE1 4.07Å; F203-F239 HydrophobicContact CE2-CG 4.43Å; F203-F239 HydrophobicContact CE2-CZ 4.27Å; F203-F239 HydrophobicContact CZ-CD1 4.36Å; F203-F239 HydrophobicContact CZ-CD2 4.39Å; F203-F239 HydrophobicContact CZ-CG 4.24Å
204Q85.1Confident89.6Confident46 Ų4635.6 Ų35.622%0.21519%0.186CC..  trans-136.7142.4175.2-62.3-175.6-13.200109.6H201 K214H201-Q204 HydrophobicContact CB-CG 3.75Å; H201-Q204 PolarHBondContact CD2-NE2 2.67Å; H201-Q204 VanDerWaalsContact CD2-NE2 3.31Å; Q204-K214 WeakPolarHBondContact O-CD 3.46Å; Q204-K214 PolarHBondContact O-NZ 3.18Å
205A83.6Confident89.3Confident15 Ų1535.5 Ų35.512%0.12419%0.185CC..  trans-156.6158.3173.800000110.1S207 L211 K214 L409A205-S207 VanDerWaalsContact C-N 3.26Å; A205-S207 PolarHBondContact O-N 3.35Å; A205-L211 HydrophobicContact CB-CB 4.07Å; A205-K214 HydrophobicContact CB-CD 4.48Å; A205-L409 WeakPolarHBondContact O-CB 3.11Å
206S80.7Confident88.9Confident77 Ų7738.1 Ų38.154%0.53820%0.203SC..SBendtrans-70.4-19.2178.452.80000114L409S206-L409 PolarHBondContact O-N 3.21Å
207S80.4Confident88.6Confident43 Ų4347.1 Ų47.130%0.30124%0.237SC..SBendtrans-133.9154.8-179.386.90000112.6A205 K209 S210 L211A205-S207 VanDerWaalsContact C-N 3.26Å; A205-S207 PolarHBondContact O-N 3.35Å; S207-K209 VanDerWaalsContact C-N 3.32Å; S207-K209 PolarHBondContact O-N 3.18Å; S207-S210 PolarHBondContact O-N 3.41Å; S207-S210 WeakPolarHBondContact OG-CB 3.41Å; S207-S210 PolarHBondContact OG-N 3.13Å; S207-S210 VanDerWaalsContact OG-N 3.1Å; S207-S210 PolarHBondContact OG-OG 3.26Å; S207-L211 WeakPolarHBondContact O-CB 3.14Å; S207-L211 PolarHBondContact O-N 3.26Å
208W79.4Confident88.3Confident97 Ų9747.8 Ų47.837%0.36724%0.244SC..Hα-helixtrans-60.6-43.9179.4-85.7106.3000111.3Y163 P167 W175 S210 L211 I212 L409Y163-W208 HydrophobicContact CD1-CH2 4.29Å; Y163-W208 AromaticContact CE1-CH2 3.75Å; Y163-W208 HydrophobicContact CE1-CH2 3.75Å; Y163-W208 HydrophobicContact CE1-CZ3 4.39Å; P167-W208 HydrophobicContact CB-CE3 4.24Å; P167-W208 HydrophobicContact CB-CH2 3.3Å; P167-W208 HydrophobicContact CB-CZ2 4.42Å; P167-W208 HydrophobicContact CB-CZ3 3.17Å; P167-W208 HydrophobicContact CG-CH2 3.35Å; P167-W208 HydrophobicContact CG-CZ2 4.05Å; P167-W208 HydrophobicContact CG-CZ3 3.61Å; W175-W208 HydrophobicContact CH2-CE3 4.12Å; W175-W208 AromaticContact CH2-CZ3 3.53Å; W175-W208 HydrophobicContact CH2-CZ3 3.53Å; W175-W208 HydrophobicContact CZ2-CZ3 4.18Å; W175-W208 HydrophobicContact CZ3-CZ3 4.35Å; W208-S210 VanDerWaalsContact C-N 3.35Å; W208-S210 PolarHBondContact O-N 3.21Å; W208-L211 PolarHBondContact O-N 2.88Å; W208-I212 WeakPolarHBondContact O-CD1 3.34Å; W208-I212 WeakPolarHBondContact O-CG1 3.34Å; W208-I212 PolarHBondContact O-N 3.29Å; W208-L409 HydrophobicContact CB-CD1 4.08Å; W208-L409 VanDerWaalsContact CD1-CD1 3.48Å; W208-L409 HydrophobicContact CD2-CD1 3.83Å; W208-L409 HydrophobicContact CG-CD1 3.53Å
209K80.1Confident88.1Confident122 Ų12249.3 Ų49.353%0.5326%0.259SS..Hα-helixtrans-59.6-46.6177.7-172.5178-179.3-179.60111S207 I212 L213S207-K209 VanDerWaalsContact C-N 3.32Å; S207-K209 PolarHBondContact O-N 3.18Å; K209-I212 PolarHBondContact O-N 3.35Å; K209-L213 HydrophobicContact CG-CD1 4.31Å; K209-L213 WeakPolarHBondContact O-CB 3.37Å; K209-L213 VanDerWaalsContact O-CG 3.26Å; K209-L213 WeakPolarHBondContact O-CG 3.42Å; K209-L213 PolarHBondContact O-N 3.22Å
210S85.4Confident88Confident49 Ų4952 Ų5234%0.34327%0.269SS..Hα-helixtrans-65.7-38.2178.2-58.70000112.1S207 W208 L213 K214S207-S210 PolarHBondContact O-N 3.41Å; S207-S210 WeakPolarHBondContact OG-CB 3.41Å; S207-S210 PolarHBondContact OG-N 3.13Å; S207-S210 VanDerWaalsContact OG-N 3.1Å; S207-S210 PolarHBondContact OG-OG 3.26Å; W208-S210 VanDerWaalsContact C-N 3.35Å; W208-S210 PolarHBondContact O-N 3.21Å; S210-L213 PolarHBondContact O-N 3.38Å; S210-K214 WeakPolarHBondContact O-CG 3.37Å; S210-K214 PolarHBondContact O-N 3.41Å
211L86.5Confident88.2Confident0 Ų052.8 Ų52.80%028%0.279CS..Hα-helixtrans-63.5-48.9176.7179.561000111.2P167 Y168 F203 A205 S207 W208 L213 K214 V215P167-L211 HydrophobicContact CB-CD2 3.66Å; P167-L211 HydrophobicContact CG-CD2 3.65Å; Y168-L211 HydrophobicContact CD1-CD1 4.32Å; Y168-L211 HydrophobicContact CD1-CD2 4.22Å; Y168-L211 HydrophobicContact CE1-CD2 4.13Å; F203-L211 HydrophobicContact CB-CD1 3.83Å; F203-L211 WeakPolarHBondContact O-CD1 3.19Å; A205-L211 HydrophobicContact CB-CB 4.07Å; S207-L211 WeakPolarHBondContact O-CB 3.14Å; S207-L211 PolarHBondContact O-N 3.26Å; W208-L211 PolarHBondContact O-N 2.88Å; L211-L213 VanDerWaalsContact C-N 3.31Å; L211-L213 PolarHBondContact O-N 3.48Å; L211-K214 PolarHBondContact O-N 3.18Å; L211-V215 HydrophobicContact CD1-CG2 4.35Å; L211-V215 WeakPolarHBondContact O-CG2 3.46Å; L211-V215 PolarHBondContact O-N 3.48Å
212I85.9Confident88.2Confident45 Ų4557.7 Ų57.723%0.23131%0.311CS..Hα-helixtrans-59.2-44.7177.5-65.6165.2000110.1W175 W208 K209 K214 V215 C216W175-I212 HydrophobicContact CB-CG2 4.08Å; W175-I212 HydrophobicContact CD2-CD1 4.31Å; W175-I212 HydrophobicContact CD2-CG1 3.77Å; W175-I212 HydrophobicContact CD2-CG2 4.39Å; W175-I212 HydrophobicContact CE3-CD1 3.68Å; W175-I212 HydrophobicContact CE3-CG1 3.65Å; W175-I212 HydrophobicContact CG-CG1 4.36Å; W175-I212 HydrophobicContact CG-CG2 4.15Å; W175-I212 HydrophobicContact CH2-CG1 4.41Å; W175-I212 HydrophobicContact CZ2-CG1 4.44Å; W175-I212 HydrophobicContact CZ3-CD1 3.86Å; W175-I212 HydrophobicContact CZ3-CG1 4Å; W208-I212 WeakPolarHBondContact O-CD1 3.34Å; W208-I212 WeakPolarHBondContact O-CG1 3.34Å; W208-I212 PolarHBondContact O-N 3.29Å; K209-I212 PolarHBondContact O-N 3.35Å; I212-K214 PolarHBondContact O-N 2.94Å; I212-V215 PolarHBondContact O-N 3.04Å; I212-C216 WeakPolarHBondContact O-CB 3.42Å; I212-C216 PolarHBondContact O-N 3.23Å; I212-C216 PolarHBondContact O-SG 3.17Å
213L87.7Confident88.3Confident79 Ų7957.7 Ų57.741%0.41431%0.311SS..Hα-helixtrans-61.5-42.5177.3-72.5172000112.5K209 S210 L211 R217K209-L213 HydrophobicContact CG-CD1 4.31Å; K209-L213 WeakPolarHBondContact O-CB 3.37Å; K209-L213 VanDerWaalsContact O-CG 3.26Å; K209-L213 WeakPolarHBondContact O-CG 3.42Å; K209-L213 PolarHBondContact O-N 3.22Å; S210-L213 PolarHBondContact O-N 3.38Å; L211-L213 VanDerWaalsContact C-N 3.31Å; L211-L213 PolarHBondContact O-N 3.48Å; L213-R217 WeakPolarHBondContact O-CB 3.36Å; L213-R217 VanDerWaalsContact O-CG 3.23Å; L213-R217 WeakPolarHBondContact O-CG 3.43Å; L213-R217 PolarHBondContact O-N 3.34Å
214K90.5Very high88.3Confident79 Ų7959.2 Ų59.234%0.34332%0.321SS..Hα-helixtrans-62.6-46175.6-77.1-172179.2-176.30111.7F203 Q204 A205 S210 L211 I212 R217 G218 A219F203-K214 HydrophobicContact CD1-CB 4.41Å; Q204-K214 WeakPolarHBondContact O-CD 3.46Å; Q204-K214 PolarHBondContact O-NZ 3.18Å; A205-K214 HydrophobicContact CB-CD 4.48Å; S210-K214 WeakPolarHBondContact O-CG 3.37Å; S210-K214 PolarHBondContact O-N 3.41Å; L211-K214 PolarHBondContact O-N 3.18Å; I212-K214 PolarHBondContact O-N 2.94Å; K214-R217 PolarHBondContact O-N 3.35Å; K214-G218 PolarHBondContact O-N 2.88Å; K214-G218 VanDerWaalsContact O-N 3.07Å; K214-A219 PolarHBondContact O-N 3.25Å; K214-A219 VanDerWaalsContact O-N 3.1Å
215V91.1Very high88.7Confident1 Ų164.4 Ų64.41%0.00635%0.35CS..Hα-helixtrans-60.2-50.6177.4168.20000111P172 W187 F203 L211 I212 R217 G218P172-V215 HydrophobicContact CB-CG1 4.38Å; P172-V215 HydrophobicContact CG-CG1 3.81Å; W187-V215 HydrophobicContact CH2-CG1 4.39Å; W187-V215 HydrophobicContact CZ2-CG1 3.85Å; F203-V215 HydrophobicContact CB-CG2 3.73Å; F203-V215 HydrophobicContact CD1-CG2 4.1Å; F203-V215 HydrophobicContact CD2-CG2 4.05Å; F203-V215 HydrophobicContact CG-CG2 3.68Å; L211-V215 HydrophobicContact CD1-CG2 4.35Å; L211-V215 WeakPolarHBondContact O-CG2 3.46Å; L211-V215 PolarHBondContact O-N 3.48Å; I212-V215 PolarHBondContact O-N 3.04Å; V215-R217 VanDerWaalsContact C-N 3.26Å; V215-R217 PolarHBondContact O-N 3.14Å; V215-G218 PolarHBondContact O-N 3.43Å
216C89.4Confident89.2Confident55 Ų5568.9 Ų68.937%0.37237%0.368SS..Hα-helixtrans-68.1-24-178.7-67.70000113.6I212 T241I212-C216 WeakPolarHBondContact O-CB 3.42Å; I212-C216 PolarHBondContact O-N 3.23Å; I212-C216 PolarHBondContact O-SG 3.17Å; C216-T241 WeakPolarHBondContact O-CG2 3.26Å
217R92.1Very high89.9Confident191 Ų19165.6 Ų65.672%0.72134%0.344SS*.Hα-helixtrans-80.2-17.5170-72.7174.4-178177.60.6113L213 K214 V215 A219L213-R217 WeakPolarHBondContact O-CB 3.36Å; L213-R217 VanDerWaalsContact O-CG 3.23Å; L213-R217 WeakPolarHBondContact O-CG 3.43Å; L213-R217 PolarHBondContact O-N 3.34Å; K214-R217 PolarHBondContact O-N 3.35Å; V215-R217 VanDerWaalsContact C-N 3.26Å; V215-R217 PolarHBondContact O-N 3.14Å; R217-A219 HydrophobicContact CB-CB 4.21Å; R217-A219 PolarHBondContact O-N 2.66Å
218G91.3Very high90.7Very high17 Ų1765.3 Ų65.318%0.17534%0.342CS..THydrogen-bonded Turntrans65.228.7-170.900000112.5K214 V215 Y220K214-G218 PolarHBondContact O-N 2.88Å; K214-G218 VanDerWaalsContact O-N 3.07Å; V215-G218 PolarHBondContact O-N 3.43Å; G218-Y220 VanDerWaalsContact O-CD1 3.28Å; G218-Y220 WeakPolarHBondContact O-CD1 3.17Å
219A91.3Very high91.5Very high52 Ų5266.8 Ų66.843%0.4335%0.348SS..  trans-91112.2-178.100000110.4F203 K214 R217F203-A219 WeakPolarHBondContact CD1-O 3.32Å; F203-A219 WeakPolarHBondContact CE1-O 3.35Å; K214-A219 PolarHBondContact O-N 3.25Å; K214-A219 VanDerWaalsContact O-N 3.1Å; R217-A219 HydrophobicContact CB-CB 4.21Å; R217-A219 PolarHBondContact O-N 2.66Å
220Y94.6Very high92.3Very high60 Ų6063.6 Ų63.624%0.23534%0.335CS..  trans-139151.1178.762.7-82.5000109.9Y194 F203 G218 I235 K236 F239Y194-Y220 HydrophobicContact CD2-CD2 4.23Å; Y194-Y220 AromaticContact CE2-CD2 3.82Å; Y194-Y220 HydrophobicContact CE2-CD2 3.82Å; Y194-Y220 HydrophobicContact CE2-CE2 4.48Å; F203-Y220 HydrophobicContact CE1-CD1 4.35Å; F203-Y220 HydrophobicContact CZ-CD1 4.21Å; G218-Y220 VanDerWaalsContact O-CD1 3.28Å; G218-Y220 WeakPolarHBondContact O-CD1 3.17Å; Y220-I235 HydrophobicContact CD2-CG2 4.48Å; Y220-I235 HydrophobicContact CE2-CG2 3.61Å; Y220-K236 WeakPolarHBondContact OH-CA 3.19Å; Y220-F239 HydrophobicContact CD1-CB 4.31Å; Y220-F239 AromaticContact CD1-CD2 3.68Å; Y220-F239 HydrophobicContact CD1-CD2 3.68Å; Y220-F239 HydrophobicContact CD1-CE2 4.43Å; Y220-F239 HydrophobicContact CD1-CG 4.37Å; Y220-F239 HydrophobicContact CD2-CD2 4.07Å; Y220-F239 HydrophobicContact CD2-CE2 4.2Å; Y220-F239 HydrophobicContact CE1-CB 3.91Å; Y220-F239 AromaticContact CE1-CD2 3.6Å; Y220-F239 HydrophobicContact CE1-CD2 3.6Å; Y220-F239 HydrophobicContact CE1-CG 4.24Å; Y220-F239 HydrophobicContact CE2-CD2 4.01Å; Y220-F239 HydrophobicContact CE2-CE2 4.38Å; Y220-F239 AromaticContact CG-CD2 3.95Å; Y220-F239 HydrophobicContact CG-CD2 3.95Å; Y220-F239 HydrophobicContact CG-CE2 4.26Å; Y220-F239 AromaticContact CZ-CD2 3.78Å
221P95.7Very high92.9Very high71 Ų7161.2 Ų61.246%0.46132%0.319SS..PPolyproline II helixtrans-61.3141.9175.7-19.831.4000111.4Y194 P202Y194-P221 VanDerWaalsContact CE2-O 3.29Å; Y194-P221 WeakPolarHBondContact CE2-O 2.69Å; Y194-P221 WeakPolarHBondContact OH-CB 3.46Å; Y194-P221 PolarHBondContact OH-O 2.9Å; Y194-P221 VanDerWaalsContact OH-O 3.14Å; P202-P221 WeakPolarHBondContact O-CD 3.48Å
222P94.4Very high93.4Very high107 Ų10763.6 Ų63.670%0.69533%0.329SS*.PPolyproline II helixtrans-64.7153.6179.527.5-34.5000111.5
223L95.7Very high94Very high5 Ų564.3 Ų64.33%0.02633%0.33CS..PPolyproline II helixtrans-64.7155.2173.2-66.9-173.3000111Y194 C197 T198 L227 L231 H232 I235Y194-L223 HydrophobicContact CD2-CD2 3.54Å; Y194-L223 HydrophobicContact CE2-CD2 3.74Å; Y194-L223 HydrophobicContact CG-CD2 4.38Å; C197-L223 HydrophobicContact CB-CD2 3.74Å; T198-L223 HydrophobicContact CG2-CD2 3.84Å; L223-L227 HydrophobicContact CB-CD1 4.2Å; L223-L227 HydrophobicContact CD1-CD1 4.28Å; L223-L231 HydrophobicContact CD1-CB 4.36Å; L223-H232 VanDerWaalsContact CB-CE1 3.49Å; L223-H232 WeakPolarHBondContact CB-CE1 3.41Å; L223-H232 PolarHBondContact O-CE1 2.84Å; L223-I235 HydrophobicContact CD1-CB 4.3Å; L223-I235 HydrophobicContact CD1-CG1 3.99Å
224P93.8Very high94.5Very high32 Ų3260.6 Ų60.621%0.20831%0.31CS..PPolyproline II helixtrans-56139.4172.4-27.434.3000113.7H226 L227 H232P224-H226 WeakPolarHBondContact CB-CE1 3.46Å; P224-H226 WeakPolarHBondContact CB-ND1 3.36Å; P224-H226 PolarHBondContact O-N 3.12Å; P224-H226 VanDerWaalsContact O-N 3.14Å; P224-L227 HydrophobicContact CB-CD1 4.5Å; P224-L227 HydrophobicContact CB-CG 4.49Å; P224-L227 HydrophobicContact CG-CD1 4.43Å; P224-L227 WeakPolarHBondContact O-CB 2.69Å; P224-L227 PolarHBondContact O-N 3.19Å; P224-L227 VanDerWaalsContact O-N 3.12Å; P224-H232 PolarHBondContact O-NE2 3.43Å; P224-H232 VanDerWaalsContact O-NE2 3.09Å
225N93.5Very high94.9Very high156 Ų15656.9 Ų56.983%0.83429%0.294SS*.THydrogen-bonded Turntrans-64.5-19-175.5-67.5-18.8000114.9L227N225-L227 PolarHBondContact O-N 2.98Å
226H92.9Very high95.2Very high108 Ų10863 Ų6350%0.532%0.321SS..THydrogen-bonded Turntrans-77.1-11.517867.5-96.9000113Q99 P224Q99-H226 PolarHBondContact OE1-CE1 2.99Å; Q99-H226 PolarHBondContact OE1-NE2 3.25Å; P224-H226 WeakPolarHBondContact CB-CE1 3.46Å; P224-H226 WeakPolarHBondContact CB-ND1 3.36Å; P224-H226 PolarHBondContact O-N 3.12Å; P224-H226 VanDerWaalsContact O-N 3.14Å
227L96.3Very high95.6Very high8 Ų862.6 Ų62.64%0.04231%0.313CS..SBendtrans-79.4146.5177.7-64.3177.3000110.8V102 I105 C197 L223 P224 N225V102-L227 HydrophobicContact CG2-CD2 3.74Å; I105-L227 HydrophobicContact CD1-CD2 4.45Å; C197-L227 HydrophobicContact CB-CD1 3.61Å; L223-L227 HydrophobicContact CB-CD1 4.2Å; L223-L227 HydrophobicContact CD1-CD1 4.28Å; P224-L227 HydrophobicContact CB-CD1 4.5Å; P224-L227 HydrophobicContact CB-CG 4.49Å; P224-L227 HydrophobicContact CG-CD1 4.43Å; P224-L227 WeakPolarHBondContact O-CB 2.69Å; P224-L227 PolarHBondContact O-N 3.19Å; P224-L227 VanDerWaalsContact O-N 3.12Å; N225-L227 PolarHBondContact O-N 2.98Å
228P96Very high95.9Very high37 Ų3753.5 Ų53.524%0.2428%0.279CS..  trans-55.6143.8178.7-25.232.5000113.3V102 E230 L231 H232 L261V102-P228 HydrophobicContact CG1-CG 3.77Å; P228-E230 PolarHBondContact O-N 2.9Å; P228-E230 VanDerWaalsContact O-N 3.15Å; P228-L231 WeakPolarHBondContact O-CB 3.45Å; P228-L231 PolarHBondContact O-N 3.37Å; P228-H232 PolarHBondContact O-CD2 3.3Å; P228-H232 PolarHBondContact O-N 3.3Å; P228-L261 HydrophobicContact CB-CD1 4.33Å
229Y97.1Very high96.2Very high128 Ų12853 Ų5350%0.50227%0.272SS..Hα-helixtrans-53.9-36177171.4-96.8000112.3L231 H232 Y233Y229-L231 PolarHBondContact O-N 3.32Å; Y229-H232 WeakPolarHBondContact O-CB 3.38Å; Y229-H232 PolarHBondContact O-N 3.31Å; Y229-Y233 HydrophobicContact CE1-CD2 4.23Å; Y229-Y233 HydrophobicContact CE1-CG 4.31Å; Y229-Y233 AromaticContact CZ-CD2 3.98Å; Y229-Y233 WeakPolarHBondContact O-CB 3.49Å; Y229-Y233 PolarHBondContact O-N 3.4Å; Y229-Y233 WeakPolarHBondContact OH-CD2 2.91Å
230E97.3Very high96.5Very high55 Ų5554.5 Ų54.526%0.25727%0.269SS..Hα-helixtrans-59.2-33.3178.3-68.977.4-173.700113.1P228 L234 R257 V258 L261P228-E230 PolarHBondContact O-N 2.9Å; P228-E230 VanDerWaalsContact O-N 3.15Å; E230-L234 VanDerWaalsContact O-CB 3.28Å; E230-L234 WeakPolarHBondContact O-CB 3Å; E230-L234 PolarHBondContact O-N 3.26Å; E230-R257 HydrophobicContact CG-CB 4.42Å; E230-V258 HydrophobicContact CB-CB 4.26Å; E230-V258 HydrophobicContact CB-CG2 4.22Å; E230-L261 HydrophobicContact CB-CD1 3.68Å; E230-L261 HydrophobicContact CG-CD1 3.96Å
231L97.2Very high96.6Very high0 Ų054.6 Ų54.60%028%0.276CS..Hα-helixtrans-73.5-43175.8-73.4-177.1000111.5L106 L193 L223 P228 Y229 Y233 L234 I235 V258L106-L231 HydrophobicContact CD2-CD2 3.84Å; L106-L231 HydrophobicContact CD2-CG 4.39Å; L193-L231 HydrophobicContact CD1-CD2 4.4Å; L193-L231 HydrophobicContact CD2-CD2 4.43Å; L223-L231 HydrophobicContact CD1-CB 4.36Å; P228-L231 WeakPolarHBondContact O-CB 3.45Å; P228-L231 PolarHBondContact O-N 3.37Å; Y229-L231 PolarHBondContact O-N 3.32Å; L231-Y233 VanDerWaalsContact C-N 3.31Å; L231-Y233 PolarHBondContact O-N 2.91Å; L231-L234 PolarHBondContact O-N 2.94Å; L231-I235 PolarHBondContact O-N 3.11Å; L231-V258 HydrophobicContact CD2-CG2 4.18Å
232H97.8Very high96.6Very high49 Ų4954.5 Ų54.523%0.22727%0.271CS..Hα-helixtrans-57.8-47.2173.4-77.5-107.2000111L223 P224 P228 Y229 I235 K236L223-H232 VanDerWaalsContact CB-CE1 3.49Å; L223-H232 WeakPolarHBondContact CB-CE1 3.41Å; L223-H232 PolarHBondContact O-CE1 2.84Å; P224-H232 PolarHBondContact O-NE2 3.43Å; P224-H232 VanDerWaalsContact O-NE2 3.09Å; P228-H232 PolarHBondContact O-CD2 3.3Å; P228-H232 PolarHBondContact O-N 3.3Å; Y229-H232 WeakPolarHBondContact O-CB 3.38Å; Y229-H232 PolarHBondContact O-N 3.31Å; H232-I235 PolarHBondContact O-N 3.38Å; H232-K236 WeakPolarHBondContact O-CB 3.24Å; H232-K236 PolarHBondContact O-N 3.19Å
233Y97.9Very high96.6Very high61 Ų6150.5 Ų50.524%0.23925%0.246CC..Hα-helixtrans-62.6-43.5178.8-170.4-102.2000111.9Y229 L231 H237 H256 R257Y229-Y233 HydrophobicContact CE1-CD2 4.23Å; Y229-Y233 HydrophobicContact CE1-CG 4.31Å; Y229-Y233 AromaticContact CZ-CD2 3.98Å; Y229-Y233 WeakPolarHBondContact O-CB 3.49Å; Y229-Y233 PolarHBondContact O-N 3.4Å; Y229-Y233 WeakPolarHBondContact OH-CD2 2.91Å; L231-Y233 VanDerWaalsContact C-N 3.31Å; L231-Y233 PolarHBondContact O-N 2.91Å; Y233-H237 AromaticContact CD1-CE1 3.96Å; Y233-H237 AromaticContact CD1-ND1 3.88Å; Y233-H237 AromaticContact CE1-CE1 3.19Å; Y233-H237 WeakPolarHBondContact CE1-CE1 3.36Å; Y233-H237 AromaticContact CE1-ND1 3.48Å; Y233-H237 WeakPolarHBondContact CE1-ND1 3.49Å; Y233-H237 AromaticContact CE2-CE1 3.83Å; Y233-H237 AromaticContact CZ-CE1 3.12Å; Y233-H237 AromaticContact CZ-ND1 3.87Å; Y233-H237 AromaticContact CZ-NE2 3.79Å; Y233-H237 PolarHBondContact O-N 2.92Å; Y233-H237 PolarHBondContact OH-CE1 3.5Å; Y233-H256 AromaticContact CD1-CE1 3.62Å; Y233-H256 AromaticContact CD1-NE2 3.52Å; Y233-H256 AromaticContact CE1-NE2 3.67Å; Y233-R257 HydrophobicContact CD1-CB 4.2Å; Y233-R257 HydrophobicContact CD1-CG 4.14Å; Y233-R257 HydrophobicContact CE1-CB 4.44Å; Y233-R257 HydrophobicContact CE1-CG 3.93Å
234L98.4Very high96.6Very high0 Ų056.2 Ų56.20%027%0.27CS..Hα-helixtrans-61.6-52.1176175.565.1000111.9F109 L193 E230 L231 K236 H237 M238 I252 V258F109-L234 HydrophobicContact CD1-CD2 4.25Å; F109-L234 HydrophobicContact CE1-CD2 3.42Å; F109-L234 VanDerWaalsContact CE1-CD2 3.42Å; F109-L234 HydrophobicContact CZ-CD2 3.86Å; L193-L234 HydrophobicContact CD2-CD2 3.53Å; L193-L234 HydrophobicContact CD2-CG 4.29Å; E230-L234 VanDerWaalsContact O-CB 3.28Å; E230-L234 WeakPolarHBondContact O-CB 3Å; E230-L234 PolarHBondContact O-N 3.26Å; L231-L234 PolarHBondContact O-N 2.94Å; L234-K236 VanDerWaalsContact C-N 3.28Å; L234-K236 PolarHBondContact O-N 3.13Å; L234-H237 PolarHBondContact O-N 2.92Å; L234-M238 HydrophobicContact CD1-CG 3.87Å; L234-M238 HydrophobicContact CD1-SD 3.73Å; L234-M238 HydrophobicContact CD2-SD 3.98Å; L234-M238 HydrophobicContact CG-CG 4.16Å; L234-M238 HydrophobicContact CG-SD 3.61Å; L234-M238 WeakPolarHBondContact O-CG 3.4Å; L234-M238 PolarHBondContact O-N 2.99Å; L234-I252 HydrophobicContact CD1-CD1 4.04Å; L234-I252 HydrophobicContact CD1-CG1 3.85Å; L234-I252 HydrophobicContact CD1-CG2 4.2Å; L234-V258 HydrophobicContact CB-CB 4.43Å; L234-V258 HydrophobicContact CD1-CG1 4.25Å; L234-V258 HydrophobicContact CD2-CB 4.38Å; L234-V258 HydrophobicContact CD2-CG1 3.99Å; L234-V258 HydrophobicContact CD2-CG2 4.15Å; L234-V258 HydrophobicContact CG-CG1 4.47Å
235I98.2Very high96.7Very high1 Ų159 Ų591%0.00528%0.283CS..Hα-helixtrans-58.7-42.3-179-79.6-64.5000111G190 L193 Y194 Y220 L223 L231 H232 H237 M238 F239G190-I235 WeakPolarHBondContact O-CD1 3.26Å; L193-I235 HydrophobicContact CB-CD1 3.92Å; L193-I235 HydrophobicContact CD2-CD1 3.69Å; L193-I235 HydrophobicContact CD2-CG1 3.96Å; L193-I235 HydrophobicContact CG-CD1 3.78Å; L193-I235 HydrophobicContact CG-CG1 4.23Å; Y194-I235 HydrophobicContact CD2-CG2 4.46Å; Y220-I235 HydrophobicContact CD2-CG2 4.48Å; Y220-I235 HydrophobicContact CE2-CG2 3.61Å; L223-I235 HydrophobicContact CD1-CB 4.3Å; L223-I235 HydrophobicContact CD1-CG1 3.99Å; L231-I235 PolarHBondContact O-N 3.11Å; H232-I235 PolarHBondContact O-N 3.38Å; I235-H237 PolarHBondContact O-N 2.95Å; I235-M238 PolarHBondContact O-N 3.31Å; I235-F239 HydrophobicContact CD1-CE2 4.35Å; I235-F239 HydrophobicContact CG2-CD2 3.66Å; I235-F239 HydrophobicContact CG2-CE2 3.68Å; I235-F239 PolarHBondContact O-N 3.34Å
236K97.9Very high96.9Very high130 Ų13051.6 Ų51.657%0.56524%0.244SC*.Hα-helixtrans-58.9-34.6175.8-172.5176.1-176.91760112.9Y220 H232 L234Y220-K236 WeakPolarHBondContact OH-CA 3.19Å; H232-K236 WeakPolarHBondContact O-CB 3.24Å; H232-K236 PolarHBondContact O-N 3.19Å; L234-K236 VanDerWaalsContact C-N 3.28Å; L234-K236 PolarHBondContact O-N 3.13Å
237H98.2Very high97.2Very high46 Ų4647 Ų4721%0.21322%0.223CC..Hα-helixtrans-79.7-38.7176-74.9169.9000113.3Y233 L234 I235 F239 K240 P247 H256Y233-H237 AromaticContact CD1-CE1 3.96Å; Y233-H237 AromaticContact CD1-ND1 3.88Å; Y233-H237 AromaticContact CE1-CE1 3.19Å; Y233-H237 WeakPolarHBondContact CE1-CE1 3.36Å; Y233-H237 AromaticContact CE1-ND1 3.48Å; Y233-H237 WeakPolarHBondContact CE1-ND1 3.49Å; Y233-H237 AromaticContact CE2-CE1 3.83Å; Y233-H237 AromaticContact CZ-CE1 3.12Å; Y233-H237 AromaticContact CZ-ND1 3.87Å; Y233-H237 AromaticContact CZ-NE2 3.79Å; Y233-H237 PolarHBondContact O-N 2.92Å; Y233-H237 PolarHBondContact OH-CE1 3.5Å; L234-H237 PolarHBondContact O-N 2.92Å; I235-H237 PolarHBondContact O-N 2.95Å; H237-F239 PolarHBondContact O-N 2.83Å; H237-K240 WeakPolarHBondContact O-CG 3.28Å; H237-K240 PolarHBondContact O-N 2.45Å; H237-P247 HydrophobicContact CB-CG 4.29Å; H237-H256 AromaticContact ND1-NE2 3.31Å; H237-H256 PolarHBondContact ND1-NE2 2.99Å
238M98.5Very high97.2Very high0 Ų046.6 Ų46.60%022%0.221CC..Hα-helixtrans-65.4-29.7176.4-65.7177.781.100112.1F109 V186 L189 G190 L193 L234 I235 R246 I252F109-M238 HydrophobicContact CE2-CE 4.1Å; F109-M238 HydrophobicContact CE2-SD 4.46Å; F109-M238 HydrophobicContact CZ-CE 3.79Å; F109-M238 HydrophobicContact CZ-SD 3.84Å; V186-M238 HydrophobicContact CG1-CB 4.38Å; V186-M238 HydrophobicContact CG1-CE 3.96Å; V186-M238 HydrophobicContact CG1-CG 4.03Å; V186-M238 WeakPolarHBondContact O-CE 3.37Å; L189-M238 HydrophobicContact CB-CE 3.77Å; G190-M238 VanDerWaalsContact CA-CE 3.44Å; L193-M238 HydrophobicContact CD2-SD 4.3Å; L234-M238 HydrophobicContact CD1-CG 3.87Å; L234-M238 HydrophobicContact CD1-SD 3.73Å; L234-M238 HydrophobicContact CD2-SD 3.98Å; L234-M238 HydrophobicContact CG-CG 4.16Å; L234-M238 HydrophobicContact CG-SD 3.61Å; L234-M238 WeakPolarHBondContact O-CG 3.4Å; L234-M238 PolarHBondContact O-N 2.99Å; I235-M238 PolarHBondContact O-N 3.31Å; M238-R246 WeakPolarHBondContact O-CD 3.48Å; M238-I252 HydrophobicContact CE-CD1 4.21Å; M238-I252 HydrophobicContact CG-CD1 4.39Å; M238-I252 HydrophobicContact SD-CD1 4.3Å
239F98.3Very high97.3Very high7 Ų744.9 Ų44.93%0.03121%0.21CC..THydrogen-bonded Turntrans-94.320.6176-64.1-31.5000115W187 G190 Y194 P202 F203 Y220 I235 H237 T241W187-F239 HydrophobicContact CD2-CD1 4.02Å; W187-F239 AromaticContact CE3-CD1 3.99Å; W187-F239 HydrophobicContact CE3-CD1 3.99Å; W187-F239 HydrophobicContact CH2-CB 4.39Å; W187-F239 HydrophobicContact CH2-CD1 4.26Å; W187-F239 HydrophobicContact CZ2-CD1 4.26Å; W187-F239 HydrophobicContact CZ3-CB 4.08Å; W187-F239 HydrophobicContact CZ3-CD1 4.14Å; W187-F239 WeakPolarHBondContact CZ3-O 3.4Å; G190-F239 VanDerWaalsContact C-CZ 3.45Å; G190-F239 WeakPolarHBondContact O-CZ 3.48Å; Y194-F239 HydrophobicContact CD2-CE2 4.17Å; Y194-F239 HydrophobicContact CG-CE2 4.46Å; P202-F239 HydrophobicContact CB-CE2 3.87Å; P202-F239 HydrophobicContact CB-CZ 3.83Å; P202-F239 HydrophobicContact CG-CE2 4.36Å; P202-F239 HydrophobicContact CG-CZ 3.8Å; F203-F239 HydrophobicContact CE2-CD1 4.14Å; F203-F239 HydrophobicContact CE2-CE1 4.07Å; F203-F239 HydrophobicContact CE2-CG 4.43Å; F203-F239 HydrophobicContact CE2-CZ 4.27Å; F203-F239 HydrophobicContact CZ-CD1 4.36Å; F203-F239 HydrophobicContact CZ-CD2 4.39Å; F203-F239 HydrophobicContact CZ-CG 4.24Å; Y220-F239 HydrophobicContact CD1-CB 4.31Å; Y220-F239 AromaticContact CD1-CD2 3.68Å; Y220-F239 HydrophobicContact CD1-CD2 3.68Å; Y220-F239 HydrophobicContact CD1-CE2 4.43Å; Y220-F239 HydrophobicContact CD1-CG 4.37Å; Y220-F239 HydrophobicContact CD2-CD2 4.07Å; Y220-F239 HydrophobicContact CD2-CE2 4.2Å; Y220-F239 HydrophobicContact CE1-CB 3.91Å; Y220-F239 AromaticContact CE1-CD2 3.6Å; Y220-F239 HydrophobicContact CE1-CD2 3.6Å; Y220-F239 HydrophobicContact CE1-CG 4.24Å; Y220-F239 HydrophobicContact CE2-CD2 4.01Å; Y220-F239 HydrophobicContact CE2-CE2 4.38Å; Y220-F239 AromaticContact CG-CD2 3.95Å; Y220-F239 HydrophobicContact CG-CD2 3.95Å; Y220-F239 HydrophobicContact CG-CE2 4.26Å; Y220-F239 AromaticContact CZ-CD2 3.78Å; I235-F239 HydrophobicContact CD1-CE2 4.35Å; I235-F239 HydrophobicContact CG2-CD2 3.66Å; I235-F239 HydrophobicContact CG2-CE2 3.68Å; I235-F239 PolarHBondContact O-N 3.34Å; H237-F239 PolarHBondContact O-N 2.83Å; F239-T241 PolarHBondContact O-N 2.81Å
240K97.9Very high97.3Very high83 Ų8343.7 Ų43.736%0.36121%0.205SC..  trans-62.7130.5165.7-71.5-70-1771750110.3H237 D245 R246H237-K240 WeakPolarHBondContact O-CG 3.28Å; H237-K240 PolarHBondContact O-N 2.45Å; K240-D245 HydrophobicContact CB-CB 3.81Å; K240-D245 HydrophobicContact CD-CB 4.35Å; K240-D245 HydrophobicContact CG-CB 3.94Å; K240-R246 HydrophobicContact CB-CG 4.08Å; K240-R246 PolarHBondContact O-NE 3.44Å; K240-R246 PolarHBondContact O-NH2 2.87Å; K240-R246 VanDerWaalsContact O-NH2 3.11Å
241T95.6Very high97.3Very high63 Ų6342.4 Ų42.439%0.38720%0.201SC..SBendtrans-69.4-36.7-174.852.40000112P172 C216 F239 R246P172-T241 HydrophobicContact CG-CG2 4.41Å; C216-T241 WeakPolarHBondContact O-CG2 3.26Å; F239-T241 PolarHBondContact O-N 2.81Å; T241-R246 PolarHBondContact O-NH2 3.26Å
242N95.4Very high97.3Very high68 Ų6842.4 Ų42.436%0.36420%0.201SC..SBendtrans-77.1120.2168.7177.212.7000110K244 D245N242-K244 PolarHBondContact O-N 3.36Å; N242-K244 PolarHBondContact OD1-N 3.24Å; N242-D245 WeakPolarHBondContact CB-OD2 3.43Å; N242-D245 PolarHBondContact ND2-OD2 3.4Å; N242-D245 PolarHBondContact O-N 2.97Å; N242-D245 VanDerWaalsContact O-N 3.13Å
243P94.8Very high97.2Very high24 Ų2440.8 Ų40.816%0.15619%0.194CC..G310 helixtrans-60.6-28.4-178.422.4-33.2000113.6K183 D245 R246K183-P243 HydrophobicContact CB-CB 3.85Å; K183-P243 WeakPolarHBondContact CB-O 3.41Å; K183-P243 WeakPolarHBondContact CG-O 3.42Å; P243-D245 PolarHBondContact O-N 3.23Å; P243-R246 WeakPolarHBondContact O-CB 3.23Å; P243-R246 PolarHBondContact O-N 3.26Å; P243-R246 VanDerWaalsContact O-N 3.16Å
244K95Very high97.1Very high125 Ų12541.5 Ų41.554%0.54321%0.205SC..G310 helixtrans-63.1-31.3177.6-69.4-170.8165.2-156.90113.1N242 R246 D440N242-K244 PolarHBondContact O-N 3.36Å; N242-K244 PolarHBondContact OD1-N 3.24Å; K244-R246 PolarHBondContact O-N 3.38Å; K244-D440 IonicContact NZ-OD1 3.42Å; K244-D440 PolarHBondContact NZ-OD1 2.92Å
245D96.8Very high96.9Very high91 Ų9145.6 Ų45.649%0.48723%0.233SC..G310 helixtrans-82.4-2.7-178.8-57.4-32.5000112.2K240 N242 P243K240-D245 HydrophobicContact CB-CB 3.81Å; K240-D245 HydrophobicContact CD-CB 4.35Å; K240-D245 HydrophobicContact CG-CB 3.94Å; N242-D245 WeakPolarHBondContact CB-OD2 3.43Å; N242-D245 PolarHBondContact ND2-OD2 3.4Å; N242-D245 PolarHBondContact O-N 2.97Å; N242-D245 VanDerWaalsContact O-N 3.13Å; P243-D245 PolarHBondContact O-N 3.23Å
246R98.1Very high96.8Very high0 Ų046.3 Ų46.30%024%0.236CC..SBendtrans-86.5136.5175.2-58.6-179.7-162140.513.4109.9E173 K183 V186 M238 K240 T241 P243 K244E173-R246 IonicContact OE1-CZ 2.73Å; E173-R246 IonicContact OE1-NH1 3.54Å; E173-R246 PolarHBondContact OE1-NH1 2.94Å; E173-R246 IonicContact OE1-NH2 3.27Å; E173-R246 IonicContact OE2-CZ 3.15Å; E173-R246 IonicContact OE2-NH1 3.3Å; E173-R246 PolarHBondContact OE2-NH1 3.32Å; E173-R246 IonicContact OE2-NH2 2.77Å; E173-R246 PolarHBondContact OE2-NH2 2.97Å; K183-R246 HydrophobicContact CB-CB 4.34Å; K183-R246 HydrophobicContact CD-CB 4.47Å; K183-R246 PolarHBondContact NZ-O 3.13Å; K183-R246 WeakPolarHBondContact O-CD 3.37Å; K183-R246 PolarHBondContact O-NH1 3.44Å; V186-R246 HydrophobicContact CG1-CB 4.4Å; M238-R246 WeakPolarHBondContact O-CD 3.48Å; K240-R246 HydrophobicContact CB-CG 4.08Å; K240-R246 PolarHBondContact O-NE 3.44Å; K240-R246 PolarHBondContact O-NH2 2.87Å; K240-R246 VanDerWaalsContact O-NH2 3.11Å; T241-R246 PolarHBondContact O-NH2 3.26Å; P243-R246 WeakPolarHBondContact O-CB 3.23Å; P243-R246 PolarHBondContact O-N 3.26Å; P243-R246 VanDerWaalsContact O-N 3.16Å; K244-R246 PolarHBondContact O-N 3.38Å
247P98.1Very high96.8Very high10 Ų1046.6 Ų46.67%0.06523%0.234CC..PPolyproline II helixtrans-65.9146.4174.429.2-35.1000110.2H237 T251 I252H237-P247 HydrophobicContact CB-CG 4.29Å; P247-T251 HydrophobicContact CB-CG2 3.75Å; P247-I252 HydrophobicContact CB-CG1 4.07Å; P247-I252 HydrophobicContact CG-CD1 4.17Å; P247-I252 HydrophobicContact CG-CG1 3.87Å
248S97.6Very high96.7Very high0 Ų044.4 Ų44.40%022%0.224CC..PPolyproline II helixtrans-67.6160.6166.571.60000111.4R250 T251 I252 D444S248-R250 PolarHBondContact O-N 3.44Å; S248-T251 WeakPolarHBondContact O-CB 3.35Å; S248-T251 PolarHBondContact O-N 3.39Å; S248-T251 VanDerWaalsContact O-N 3.11Å; S248-T251 WeakPolarHBondContact OG-CB 3.35Å; S248-T251 PolarHBondContact OG-N 3.13Å; S248-T251 PolarHBondContact OG-OG1 3.09Å; S248-I252 WeakPolarHBondContact O-CG1 3.46Å; S248-I252 PolarHBondContact O-N 3.11Å; S248-D444 WeakPolarHBondContact CB-OD2 3.5Å; S248-D444 PolarHBondContact OG-OD1 3.39Å; S248-D444 PolarHBondContact OG-OD2 2.94Å
249V97.4Very high96.5Very high2 Ų244.7 Ų44.71%0.01223%0.226CC..Hα-helixtrans-61.4-34.5174.2-1760000110.9C113 A116 K117 V186 L189 I252 L253C113-V249 HydrophobicContact CB-CG1 3.77Å; C113-V249 WeakPolarHBondContact O-CG1 3.36Å; A116-V249 HydrophobicContact CB-CG1 4.32Å; A116-V249 HydrophobicContact CB-CG2 4.27Å; K117-V249 HydrophobicContact CB-CG1 3.99Å; V186-V249 HydrophobicContact CG2-CG2 3.83Å; L189-V249 HydrophobicContact CD1-CG2 4.23Å; V249-I252 PolarHBondContact O-N 3.21Å; V249-L253 HydrophobicContact CG1-CD1 4.27Å; V249-L253 WeakPolarHBondContact O-CG 3.41Å; V249-L253 PolarHBondContact O-N 2.72Å; V249-L253 VanDerWaalsContact O-N 3.12Å
250R96.3Very high96.3Very high102 Ų10252.8 Ų52.839%0.38526%0.256SS..Hα-helixtrans-59.5-47.7172.1-177.1177.1-178.4172.4-5.9110.8S248 L253 T254 E446S248-R250 PolarHBondContact O-N 3.44Å; R250-L253 PolarHBondContact O-N 2.83Å; R250-T254 HydrophobicContact CG-CG2 4.5Å; R250-T254 WeakPolarHBondContact O-CB 3.23Å; R250-T254 WeakPolarHBondContact O-CG2 3.35Å; R250-T254 PolarHBondContact O-N 2.78Å; R250-T254 PolarHBondContact O-OG1 3.05Å; R250-E446 IonicContact CZ-OE1 2.63Å; R250-E446 IonicContact NH1-OE1 3.01Å; R250-E446 PolarHBondContact NH1-OE1 2.99Å; R250-E446 IonicContact NH2-OE1 3.16Å; R250-E446 PolarHBondContact NH2-OE1 3.44Å
251T97.3Very high96.2Very high28 Ų2851.3 Ų51.317%0.17225%0.252CS..Hα-helixtrans-61.8-42.9176.7-72.10000111.9P247 S248 L253 T254 S255 H256P247-T251 HydrophobicContact CB-CG2 3.75Å; S248-T251 WeakPolarHBondContact O-CB 3.35Å; S248-T251 PolarHBondContact O-N 3.39Å; S248-T251 VanDerWaalsContact O-N 3.11Å; S248-T251 WeakPolarHBondContact OG-CB 3.35Å; S248-T251 PolarHBondContact OG-N 3.13Å; S248-T251 PolarHBondContact OG-OG1 3.09Å; T251-L253 VanDerWaalsContact C-N 3.29Å; T251-L253 PolarHBondContact O-N 3.5Å; T251-T254 PolarHBondContact O-N 3.37Å; T251-S255 PolarHBondContact O-N 2.76Å; T251-S255 PolarHBondContact O-OG 2.84Å; T251-H256 WeakPolarHBondContact O-CB 3.3Å; T251-H256 PolarHBondContact O-N 3.06Å
252I98.3Very high96.2Very high0 Ų048.3 Ų48.30%023%0.233CC..Hα-helixtrans-56.1-43.3175.6-67.6170.8000111.7F109 V186 L234 M238 P247 S248 V249 V258 S259 L262F109-I252 HydrophobicContact CE1-CG2 4Å; V186-I252 HydrophobicContact CG1-CD1 4.31Å; L234-I252 HydrophobicContact CD1-CD1 4.04Å; L234-I252 HydrophobicContact CD1-CG1 3.85Å; L234-I252 HydrophobicContact CD1-CG2 4.2Å; M238-I252 HydrophobicContact CE-CD1 4.21Å; M238-I252 HydrophobicContact CG-CD1 4.39Å; M238-I252 HydrophobicContact SD-CD1 4.3Å; P247-I252 HydrophobicContact CB-CG1 4.07Å; P247-I252 HydrophobicContact CG-CD1 4.17Å; P247-I252 HydrophobicContact CG-CG1 3.87Å; S248-I252 WeakPolarHBondContact O-CG1 3.46Å; S248-I252 PolarHBondContact O-N 3.11Å; V249-I252 PolarHBondContact O-N 3.21Å; I252-V258 HydrophobicContact CG2-CG1 4.08Å; I252-S259 WeakPolarHBondContact O-CB 3.26Å; I252-L262 HydrophobicContact CG2-CD1 3.77Å
253L96.1Very high95.9Very high16 Ų1650.5 Ų50.58%0.08424%0.237CC..Hα-helixtrans-78.1-28.3-176.8-70.6175.8000114.1C113 K117 V249 R250 T251 S259 L262 R263 L266C113-L253 HydrophobicContact CB-CD1 4.06Å; C113-L253 HydrophobicContact CB-CD2 3.56Å; C113-L253 HydrophobicContact CB-CG 3.85Å; K117-L253 HydrophobicContact CB-CD1 4.13Å; K117-L253 HydrophobicContact CD-CD1 3.98Å; V249-L253 HydrophobicContact CG1-CD1 4.27Å; V249-L253 WeakPolarHBondContact O-CG 3.41Å; V249-L253 PolarHBondContact O-N 2.72Å; V249-L253 VanDerWaalsContact O-N 3.12Å; R250-L253 PolarHBondContact O-N 2.83Å; T251-L253 VanDerWaalsContact C-N 3.29Å; T251-L253 PolarHBondContact O-N 3.5Å; L253-S259 WeakPolarHBondContact O-CB 3.43Å; L253-L262 HydrophobicContact CD2-CD1 4.42Å; L253-R263 PolarHBondContact O-NH1 2.98Å; L253-L266 HydrophobicContact CD2-CD1 3.87Å
254T94.8Very high95.6Very high76 Ų7653.4 Ų53.447%0.46626%0.257SS..Hα-helixtrans-107.4-55-168.257.20000113.3R250 T251 S259 R263R250-T254 HydrophobicContact CG-CG2 4.5Å; R250-T254 WeakPolarHBondContact O-CB 3.23Å; R250-T254 WeakPolarHBondContact O-CG2 3.35Å; R250-T254 PolarHBondContact O-N 2.78Å; R250-T254 PolarHBondContact O-OG1 3.05Å; T251-T254 PolarHBondContact O-N 3.37Å; T254-S259 PolarHBondContact O-OG 3.29Å; T254-R263 PolarHBondContact O-NH1 2.87Å
255S94.1Very high95.2Very high86 Ų8649.3 Ų49.360%0.60124%0.24SC*.THydrogen-bonded Turntrans-119.3-19.3-164.959.50000114.2T251T251-S255 PolarHBondContact O-N 2.76Å; T251-S255 PolarHBondContact O-OG 2.84Å
256H97Very high94.6Very high15 Ų1547 Ų477%0.06923%0.227CC..SBendtrans-62154177.2-168.8-96.6000111.5Y233 H237 T251 V258 S259Y233-H256 AromaticContact CD1-CE1 3.62Å; Y233-H256 AromaticContact CD1-NE2 3.52Å; Y233-H256 AromaticContact CE1-NE2 3.67Å; H237-H256 AromaticContact ND1-NE2 3.31Å; H237-H256 PolarHBondContact ND1-NE2 2.99Å; T251-H256 WeakPolarHBondContact O-CB 3.3Å; T251-H256 PolarHBondContact O-N 3.06Å; H256-V258 HydrophobicContact CB-CG1 4.24Å; H256-V258 WeakPolarHBondContact ND1-CG1 3.48Å; H256-V258 PolarHBondContact ND1-N 2.93Å; H256-V258 PolarHBondContact O-N 3.34Å; H256-V258 VanDerWaalsContact O-N 3.14Å; H256-S259 WeakPolarHBondContact O-CB 3.23Å; H256-S259 PolarHBondContact O-N 3.18Å; H256-S259 PolarHBondContact O-OG 3.01Å
257R96.3Very high93.2Very high136 Ų13651 Ų5151%0.51325%0.254SS..THydrogen-bonded Turntrans-55.3-36.3-178.7-67.6-171.7178.2-137.30.7113.2E230 Y233 S259E230-R257 HydrophobicContact CG-CB 4.42Å; Y233-R257 HydrophobicContact CD1-CB 4.2Å; Y233-R257 HydrophobicContact CD1-CG 4.14Å; Y233-R257 HydrophobicContact CE1-CB 4.44Å; Y233-R257 HydrophobicContact CE1-CG 3.93Å; R257-S259 PolarHBondContact O-N 3.41Å
258V96.3Very high91.3Very high0 Ų056 Ų560%029%0.286CS..THydrogen-bonded Turntrans-68.7-18.7177.579.50000113.7E230 L231 L234 I252 H256 R260 L261 L262E230-V258 HydrophobicContact CB-CB 4.26Å; E230-V258 HydrophobicContact CB-CG2 4.22Å; L231-V258 HydrophobicContact CD2-CG2 4.18Å; L234-V258 HydrophobicContact CB-CB 4.43Å; L234-V258 HydrophobicContact CD1-CG1 4.25Å; L234-V258 HydrophobicContact CD2-CB 4.38Å; L234-V258 HydrophobicContact CD2-CG1 3.99Å; L234-V258 HydrophobicContact CD2-CG2 4.15Å; L234-V258 HydrophobicContact CG-CG1 4.47Å; I252-V258 HydrophobicContact CG2-CG1 4.08Å; H256-V258 HydrophobicContact CB-CG1 4.24Å; H256-V258 WeakPolarHBondContact ND1-CG1 3.48Å; H256-V258 PolarHBondContact ND1-N 2.93Å; H256-V258 PolarHBondContact O-N 3.34Å; H256-V258 VanDerWaalsContact O-N 3.14Å; V258-R260 PolarHBondContact O-N 2.78Å; V258-R260 VanDerWaalsContact O-N 3.12Å; V258-L261 WeakPolarHBondContact O-CA 3.48Å; V258-L261 WeakPolarHBondContact O-CB 3.31Å; V258-L261 PolarHBondContact O-N 3.33Å; V258-L262 HydrophobicContact CG1-CD1 3.85Å; V258-L262 HydrophobicContact CG1-CG 4.32Å; V258-L262 HydrophobicContact CG2-CD1 4.48Å; V258-L262 HydrophobicContact CG2-CD2 4.47Å; V258-L262 HydrophobicContact CG2-CG 4.22Å; V258-L262 PolarHBondContact O-N 3.28Å
259S95.8Very high89Confident6 Ų665.9 Ų65.94%0.04233%0.332CS..Hα-helixtrans-57.5-35.1-169.464.70000113I252 L253 T254 H256 R257 L261 L262 R263I252-S259 WeakPolarHBondContact O-CB 3.26Å; L253-S259 WeakPolarHBondContact O-CB 3.43Å; T254-S259 PolarHBondContact O-OG 3.29Å; H256-S259 WeakPolarHBondContact O-CB 3.23Å; H256-S259 PolarHBondContact O-N 3.18Å; H256-S259 PolarHBondContact O-OG 3.01Å; R257-S259 PolarHBondContact O-N 3.41Å; S259-L261 VanDerWaalsContact C-N 3.31Å; S259-L261 PolarHBondContact O-N 2.97Å; S259-L262 PolarHBondContact O-N 3.31Å; S259-R263 VanDerWaalsContact CB-NH1 3.26Å; S259-R263 WeakPolarHBondContact O-CG 3.43Å; S259-R263 PolarHBondContact O-N 3.16Å; S259-R263 PolarHBondContact OG-NH1 3.25Å; S259-R263 VanDerWaalsContact OG-NH1 3.13Å; S259-R263 PolarHBondContact OG-NH2 3.13Å
260R94.1Very high85.9Confident178 Ų17869 Ų6967%0.67236%0.359SS*.Hα-helixtrans-61.6-39.3175.5-65-172-140.9116-0.4112.4V258V258-R260 PolarHBondContact O-N 2.78Å; V258-R260 VanDerWaalsContact O-N 3.12Å
261L95.3Very high82.9Confident52 Ų5267.9 Ų67.927%0.27237%0.366SS..Hα-helixtrans-73.4-28.5178.9-59-179.4000112.2L106 P228 E230 V258 S259 S264 H265L106-L261 HydrophobicContact CD1-CB 4Å; L106-L261 HydrophobicContact CD2-CB 3.97Å; L106-L261 HydrophobicContact CD2-CD1 4.48Å; P228-L261 HydrophobicContact CB-CD1 4.33Å; E230-L261 HydrophobicContact CB-CD1 3.68Å; E230-L261 HydrophobicContact CG-CD1 3.96Å; V258-L261 WeakPolarHBondContact O-CA 3.48Å; V258-L261 WeakPolarHBondContact O-CB 3.31Å; V258-L261 PolarHBondContact O-N 3.33Å; S259-L261 VanDerWaalsContact C-N 3.31Å; S259-L261 PolarHBondContact O-N 2.97Å; L261-S264 PolarHBondContact O-OG 3.24Å; L261-S264 VanDerWaalsContact O-OG 3.04Å; L261-H265 PolarHBondContact O-CD2 2.85Å; L261-H265 VanDerWaalsContact O-CD2 3.24Å
262L95.2Very high80.3Confident0 Ų075.8 Ų75.80%040%0.401CS..Hα-helixtrans-82.2-36.3179.3-60.1-177.4000112.5L106 F109 A110 I252 L253 V258 S259 S264 H265L106-L262 HydrophobicContact CB-CD2 4.44Å; L106-L262 HydrophobicContact CD2-CD2 3.8Å; F109-L262 HydrophobicContact CD1-CD1 4Å; F109-L262 HydrophobicContact CD1-CD2 3.9Å; F109-L262 HydrophobicContact CE1-CD1 4.11Å; A110-L262 HydrophobicContact CB-CB 3.99Å; A110-L262 HydrophobicContact CB-CD2 4.12Å; I252-L262 HydrophobicContact CG2-CD1 3.77Å; L253-L262 HydrophobicContact CD2-CD1 4.42Å; V258-L262 HydrophobicContact CG1-CD1 3.85Å; V258-L262 HydrophobicContact CG1-CG 4.32Å; V258-L262 HydrophobicContact CG2-CD1 4.48Å; V258-L262 HydrophobicContact CG2-CD2 4.47Å; V258-L262 HydrophobicContact CG2-CG 4.22Å; V258-L262 PolarHBondContact O-N 3.28Å; S259-L262 PolarHBondContact O-N 3.31Å; L262-S264 VanDerWaalsContact C-N 3.26Å; L262-S264 PolarHBondContact O-N 3.26Å; L262-H265 PolarHBondContact O-N 3.43Å
263R89.9Confident77.3Confident114 Ų11483.5 Ų83.543%0.4344%0.437SS..Hα-helixtrans-60.1-31.2-176-82.8-170.1-69.2-93.46.2114.1L253 T254 S259 H265 L266L253-R263 PolarHBondContact O-NH1 2.98Å; T254-R263 PolarHBondContact O-NH1 2.87Å; S259-R263 VanDerWaalsContact CB-NH1 3.26Å; S259-R263 WeakPolarHBondContact O-CG 3.43Å; S259-R263 PolarHBondContact O-N 3.16Å; S259-R263 PolarHBondContact OG-NH1 3.25Å; S259-R263 VanDerWaalsContact OG-NH1 3.13Å; S259-R263 PolarHBondContact OG-NH2 3.13Å; R263-H265 PolarHBondContact O-N 3.23Å; R263-H265 VanDerWaalsContact O-N 3.17Å; R263-L266 PolarHBondContact O-N 3.39Å
264S87.4Confident74.4Confident84 Ų8490.4 Ų90.459%0.58747%0.469SS*.THydrogen-bonded Turntrans-62.6-18.2175.249.50000113.6L261 L262L261-S264 PolarHBondContact O-OG 3.24Å; L261-S264 VanDerWaalsContact O-OG 3.04Å; L262-S264 VanDerWaalsContact C-N 3.26Å; L262-S264 PolarHBondContact O-N 3.26Å
265H87.8Confident71.4Confident40 Ų4089.4 Ų89.419%0.18547%0.474CS..THydrogen-bonded Turntrans-110.52.4-176.2-57.2-66.3000114K107 A110 L261 L262 R263K107-H265 HydrophobicContact CB-CB 4.12Å; K107-H265 HydrophobicContact CG-CB 4.34Å; A110-H265 HydrophobicContact CB-CB 4.08Å; L261-H265 PolarHBondContact O-CD2 2.85Å; L261-H265 VanDerWaalsContact O-CD2 3.24Å; L262-H265 PolarHBondContact O-N 3.43Å; R263-H265 PolarHBondContact O-N 3.23Å; R263-H265 VanDerWaalsContact O-N 3.17Å
266L83.9Confident68.8Low42 Ų4293.4 Ų93.422%0.2248%0.483CS..SBendtrans-93.2141.9172.6-65.1171.5000109.1A110 A114 L253 R263A110-L266 HydrophobicContact CB-CD2 3.89Å; A110-L266 HydrophobicContact CB-CG 4.11Å; A110-L266 WeakPolarHBondContact O-CD2 3.44Å; A114-L266 HydrophobicContact CB-CD2 3.85Å; L253-L266 HydrophobicContact CD2-CD1 3.87Å; R263-L266 PolarHBondContact O-N 3.39Å
267P69.3Low65.9Low85 Ų85102 Ų10255%0.55252%0.52SS*.PPolyproline II helixtrans-56.1141.5169.624-30.8000108.9Q269P267-Q269 PolarHBondContact O-N 2.88Å
268P57.3Low63.1Low115 Ų115106.9 Ų106.975%0.74754%0.539SS*.PPolyproline II helixtrans-50.8139.7169.2-20.329.9000108.2A270P268-A270 PolarHBondContact O-N 3.45Å
269Q48.2Very low60.6Low206 Ų206116.3 Ų116.396%0.96357%0.574SS**  trans-6870.8168.5-64.9-157.6-1.900108.9P267P267-Q269 PolarHBondContact O-N 2.88Å
270A32.6Very low57.9Low69 Ų69122.1 Ų122.157%0.5761%0.609SS**  trans-80121.7163.500000105.7P268 E272P268-A270 PolarHBondContact O-N 3.45Å; A270-E272 PolarHBondContact O-N 2.88Å
271S34Very low55.6Low77 Ų77116.2 Ų116.254%0.53860%0.604SS.*  trans-17.8126.9165.344.30000112.9E273 E274S271-E273 PolarHBondContact O-N 3.21Å; S271-E274 PolarHBondContact O-N 2.99Å
272E41.8Very low52.9Low194 Ų194124.7 Ų124.791%0.90763%0.632SS**THydrogen-bonded Turntrans-54.31.4-177.5-63.2-177.1145.800115.2A270A270-E272 PolarHBondContact O-N 2.88Å
273E35.8Very low50.7Low163 Ų163128 Ų12876%0.76265%0.645SS**THydrogen-bonded Turntrans-97.6-22.9-171.2-61.9-173.5160.400115S271S271-E273 PolarHBondContact O-N 3.21Å
274E34.7Very low48.8Very low160 Ų160128.1 Ų128.175%0.74865%0.649SS**SBendtrans-96.8-19-173.4-76.5-169.514700115S271 E276S271-E274 PolarHBondContact O-N 2.99Å; E274-E276 VanDerWaalsContact C-N 3.31Å; E274-E276 PolarHBondContact O-N 3.27Å
275G33.2Very low46.7Very low55 Ų55132.3 Ų132.357%0.56766%0.656SS**G310 helixtrans-76.2-12.4179.400000115.1K277G275-K277 PolarHBondContact O-N 2.98Å
276E38.4Very low44.7Very low170 Ų170134.6 Ų134.679%0.79467%0.667SS**G310 helixtrans-67.2-15.7-176.2-96.6-170.7158.100114.1E274E274-E276 VanDerWaalsContact C-N 3.31Å; E274-E276 PolarHBondContact O-N 3.27Å
277K36.3Very low43.3Very low196 Ų196136.7 Ų136.785%0.85268%0.676SS**G310 helixtrans-89.6-6.7-172.7-70.8-179.9-178.9170.40115.3G275G275-K277 PolarHBondContact O-N 2.98Å
278R38.5Very low42.5Very low239 Ų239133 Ų13390%0.90265%0.652SS**SBendtrans-134.55.7-172-86.8-176.2169.3171.9-2.9117.5
279R42.8Very low42.2Very low197 Ų197134 Ų13474%0.74364%0.641SS**SBendtrans-112.6129.7178.6-74.8179.7157.5165.2-6.1111.9
280T39.6Very low42.7Very low128 Ų128130.3 Ų130.379%0.78562%0.622SS**SBendtrans-46.1135.4179.341.90000113.4
281G44.9Very low43.9Very low54 Ų54127.8 Ų127.856%0.55760%0.6SS**  trans82.482.916700000114.9W283G281-W283 PolarHBondContact O-N 3.4Å
282R39.9Very low44.8Very low231 Ų231124.2 Ų124.287%0.87258%0.575SS**  trans-62.292.9175.5-172.1178.3-174.3-177.42.6111
283W47.8Very low45.5Very low69 Ų69117.8 Ų117.826%0.26155%0.547SS..  trans-71.3124.3170.6-167.185.1000110.3S55 K58 F65 G281 K285S55-W283 WeakPolarHBondContact O-CH2 3.35Å; S55-W283 VanDerWaalsContact O-CZ2 3.25Å; S55-W283 WeakPolarHBondContact O-CZ2 3.35Å; K58-W283 HydrophobicContact CD-CE3 4.25Å; K58-W283 HydrophobicContact CD-CZ3 4.16Å; K58-W283 VanDerWaalsContact CE-CH2 3.47Å; F65-W283 HydrophobicContact CD1-CZ2 4.37Å; F65-W283 AromaticContact CD1-NE1 3.84Å; F65-W283 VanDerWaalsContact O-CD1 3.25Å; F65-W283 PolarHBondContact O-NE1 2.89Å; F65-W283 VanDerWaalsContact O-NE1 3.09Å; G281-W283 PolarHBondContact O-N 3.4Å; W283-K285 HydrophobicContact CZ3-CB 4.32Å
284K49.7Very low46.5Very low117 Ų117114.5 Ų114.551%0.50953%0.53SS..  trans-90.1127176.3-71.7178.8-178.9173.50109.8E286 E287K284-E286 PolarHBondContact O-N 3.07Å; K284-E287 HydrophobicContact CB-CG 4.11Å; K284-E287 WeakPolarHBondContact O-CB 3.36Å; K284-E287 PolarHBondContact O-N 3.34Å
285K43.4Very low47.4Very low171 Ų171107 Ų10774%0.74350%0.495SS*.Hα-helixtrans-51.5-31.2173.2-166176.5180178.90113.2W283 E287 R289W283-K285 HydrophobicContact CZ3-CB 4.32Å; K285-E287 VanDerWaalsContact C-N 3.33Å; K285-E287 PolarHBondContact O-N 3.31Å; K285-R289 PolarHBondContact O-N 3.33Å
286E47.1Very low48Very low88 Ų88105.1 Ų105.141%0.41148%0.476SS..Hα-helixtrans-63.1-32.4174.3-154.765.8-136.800113.5K284 R289 K290K284-E286 PolarHBondContact O-N 3.07Å; E286-R289 IonicContact OE1-CZ 3.33Å; E286-R289 IonicContact OE1-NE 2.73Å; E286-R289 IonicContact OE1-NH2 3.58Å; E286-R289 PolarHBondContact OE1-NH2 3.46Å; E286-R289 IonicContact OE2-NH2 3.19Å; E286-R289 PolarHBondContact OE2-NH2 3.03Å; E286-K290 HydrophobicContact CG-CD 4.38Å; E286-K290 VanDerWaalsContact O-CB 3.31Å; E286-K290 WeakPolarHBondContact O-CB 3.33Å; E286-K290 WeakPolarHBondContact O-CG 3.18Å; E286-K290 PolarHBondContact O-N 3.35Å
287E53.4Low48.2Very low87 Ų87102.3 Ų102.341%0.40746%0.463SS..Hα-helixtrans-76.9-40.3-176.8-72.1173.4177.200112.1K284 K285 R289 K290 V291K284-E287 HydrophobicContact CB-CG 4.11Å; K284-E287 WeakPolarHBondContact O-CB 3.36Å; K284-E287 PolarHBondContact O-N 3.34Å; K285-E287 VanDerWaalsContact C-N 3.33Å; K285-E287 PolarHBondContact O-N 3.31Å; E287-R289 VanDerWaalsContact C-N 3.33Å; E287-R289 PolarHBondContact O-N 3.22Å; E287-K290 CarbonylContact O-C 3.6Å; E287-K290 PolarHBondContact O-N 3.3Å; E287-V291 WeakPolarHBondContact O-CG2 3.5Å; E287-V291 PolarHBondContact O-N 3.01Å
288G52.5Low48.5Very low6 Ų696.9 Ų96.96%0.06244%0.439CS..Hα-helixtrans-61.9-40.917100000112.2V291 A292G288-V291 PolarHBondContact O-N 2.87Å; G288-A292 WeakPolarHBondContact O-CB 3.26Å; G288-A292 PolarHBondContact O-N 3.36Å
289R52.7Low48.4Very low137 Ų13788 Ų8852%0.51741%0.414SS..Hα-helixtrans-66.2-39.4173.8-168.517066.6168.60.8111.8K285 E286 E287 A292 N293K285-R289 PolarHBondContact O-N 3.33Å; E286-R289 IonicContact OE1-CZ 3.33Å; E286-R289 IonicContact OE1-NE 2.73Å; E286-R289 IonicContact OE1-NH2 3.58Å; E286-R289 PolarHBondContact OE1-NH2 3.46Å; E286-R289 IonicContact OE2-NH2 3.19Å; E286-R289 PolarHBondContact OE2-NH2 3.03Å; E287-R289 VanDerWaalsContact C-N 3.33Å; E287-R289 PolarHBondContact O-N 3.22Å; R289-A292 PolarHBondContact O-N 3.47Å; R289-N293 VanDerWaalsContact O-CB 3.23Å; R289-N293 WeakPolarHBondContact O-CB 3.22Å; R289-N293 PolarHBondContact O-N 2.93Å; R289-N293 PolarHBondContact O-OD1 3.35Å
290K57.4Low47.8Very low128 Ų12884.5 Ų84.556%0.55741%0.409SS*.Hα-helixtrans-64.9-36.9173.1-78.9169.6177.7-179.10112.9E286 E287 F294E286-K290 HydrophobicContact CG-CD 4.38Å; E286-K290 VanDerWaalsContact O-CB 3.31Å; E286-K290 WeakPolarHBondContact O-CB 3.33Å; E286-K290 WeakPolarHBondContact O-CG 3.18Å; E286-K290 PolarHBondContact O-N 3.35Å; E287-K290 CarbonylContact O-C 3.6Å; E287-K290 PolarHBondContact O-N 3.3Å; K290-F294 WeakPolarHBondContact O-CA 3.36Å; K290-F294 WeakPolarHBondContact O-CB 3.37Å; K290-F294 PolarHBondContact O-N 3.43Å
291V58.1Low47.2Very low17 Ų1784.3 Ų84.310%0.10340%0.402CS..Hα-helixtrans-68.9-44.3174.9170.40000110.4F65 A68 E287 G288 F294 L295F65-V291 HydrophobicContact CE1-CG2 4.25Å; F65-V291 HydrophobicContact CZ-CB 4.47Å; F65-V291 HydrophobicContact CZ-CG1 4Å; F65-V291 HydrophobicContact CZ-CG2 4.22Å; A68-V291 HydrophobicContact CB-CG1 4.19Å; E287-V291 WeakPolarHBondContact O-CG2 3.5Å; E287-V291 PolarHBondContact O-N 3.01Å; G288-V291 PolarHBondContact O-N 2.87Å; V291-F294 PolarHBondContact O-N 2.89Å; V291-L295 HydrophobicContact CG1-CD1 3.59Å; V291-L295 HydrophobicContact CG1-CG 4.16Å; V291-L295 VanDerWaalsContact O-CB 3.23Å; V291-L295 WeakPolarHBondContact O-CB 3.49Å; V291-L295 VanDerWaalsContact O-CG 3.22Å; V291-L295 WeakPolarHBondContact O-CG 3.23Å; V291-L295 PolarHBondContact O-N 3.19Å
292A53.9Low46.5Very low2 Ų291 Ų912%0.01742%0.416CS..Hα-helixtrans-61.3-45174.800000111.6G288 R289 G296G288-A292 WeakPolarHBondContact O-CB 3.26Å; G288-A292 PolarHBondContact O-N 3.36Å; R289-A292 PolarHBondContact O-N 3.47Å; A292-G296 PolarHBondContact O-N 3.17Å
293N55.2Low45.9Very low59 Ų5986.3 Ų86.332%0.31641%0.413SS..Hα-helixtrans-67.5-41.5176-69.25.8000111.4R289 G296 E297R289-N293 VanDerWaalsContact O-CB 3.23Å; R289-N293 WeakPolarHBondContact O-CB 3.22Å; R289-N293 PolarHBondContact O-N 2.93Å; R289-N293 PolarHBondContact O-OD1 3.35Å; N293-G296 PolarHBondContact O-N 2.93Å; N293-E297 WeakPolarHBondContact O-CA 3.28Å; N293-E297 WeakPolarHBondContact O-CB 3.38Å; N293-E297 WeakPolarHBondContact O-CG 3.42Å; N293-E297 PolarHBondContact O-N 3.27Å
294F56.4Low44.8Very low93 Ų9388.1 Ų88.141%0.40844%0.436SS..Hα-helixtrans-68-40.8178.8176.9-103000112.4K290 V291 K298K290-F294 WeakPolarHBondContact O-CA 3.36Å; K290-F294 WeakPolarHBondContact O-CB 3.37Å; K290-F294 PolarHBondContact O-N 3.43Å; V291-F294 PolarHBondContact O-N 2.89Å; F294-K298 HydrophobicContact CD1-CD 4.36Å; F294-K298 HydrophobicContact CE1-CD 3.93Å; F294-K298 HydrophobicContact CE2-CD 4.25Å; F294-K298 HydrophobicContact CZ-CD 3.89Å; F294-K298 VanDerWaalsContact CZ-NZ 3.26Å; F294-K298 VanDerWaalsContact O-CB 3.32Å; F294-K298 WeakPolarHBondContact O-CB 3.46Å; F294-K298 WeakPolarHBondContact O-CG 3.46Å; F294-K298 PolarHBondContact O-N 3.48Å; F294-K298 VanDerWaalsContact O-N 3.15Å
295L54.5Low43.7Very low2 Ų288.4 Ų88.41%0.0145%0.448CS..Hα-helixtrans-74.1-28.2176.7-66.9176.5000112R48 A51 V52 L75 V291R48-L295 HydrophobicContact CG-CD2 4.25Å; R48-L295 PolarHBondContact NH1-O 3.37Å; A51-L295 HydrophobicContact CB-CD1 4.08Å; V52-L295 HydrophobicContact CG2-CD1 4.31Å; L75-L295 HydrophobicContact CD1-CD2 4.48Å; V291-L295 HydrophobicContact CG1-CD1 3.59Å; V291-L295 HydrophobicContact CG1-CG 4.16Å; V291-L295 VanDerWaalsContact O-CB 3.23Å; V291-L295 WeakPolarHBondContact O-CB 3.49Å; V291-L295 VanDerWaalsContact O-CG 3.22Å; V291-L295 WeakPolarHBondContact O-CG 3.23Å; V291-L295 PolarHBondContact O-N 3.19Å
296G46.1Very low42.9Very low17 Ų1788.4 Ų88.418%0.17546%0.455CS..Hα-helixtrans-79-48.6172.600000114A292 N293 K298 S299A292-G296 PolarHBondContact O-N 3.17Å; N293-G296 PolarHBondContact O-N 2.93Å; G296-K298 PolarHBondContact O-N 3.24Å; G296-S299 WeakPolarHBondContact O-CB 3.49Å; G296-S299 PolarHBondContact O-N 3.24Å
297E41.2Very low42.1Very low110 Ų11093.1 Ų93.151%0.51448%0.477SS..Hα-helixtrans-69.2-26.8-180-72.8173.9178.700112.9N293 S299 L300 I301N293-E297 WeakPolarHBondContact O-CA 3.28Å; N293-E297 WeakPolarHBondContact O-CB 3.38Å; N293-E297 WeakPolarHBondContact O-CG 3.42Å; N293-E297 PolarHBondContact O-N 3.27Å; E297-S299 PolarHBondContact O-N 3.01Å; E297-S299 VanDerWaalsContact O-N 3.1Å; E297-L300 WeakPolarHBondContact O-CA 3.44Å; E297-L300 WeakPolarHBondContact O-CB 3.29Å; E297-L300 PolarHBondContact O-N 3.07Å; E297-I301 PolarHBondContact O-N 2.97Å
298K43Very low40.7Very low82 Ų8292.1 Ų92.136%0.35749%0.49SS..THydrogen-bonded Turntrans-63.7-8.3167.1-86.2-178.4160.4-1760113.5E70 F294 G296E70-K298 IonicContact OE2-NZ 3.77Å; E70-K298 PolarHBondContact OE2-NZ 3.33Å; F294-K298 HydrophobicContact CD1-CD 4.36Å; F294-K298 HydrophobicContact CE1-CD 3.93Å; F294-K298 HydrophobicContact CE2-CD 4.25Å; F294-K298 HydrophobicContact CZ-CD 3.89Å; F294-K298 VanDerWaalsContact CZ-NZ 3.26Å; F294-K298 VanDerWaalsContact O-CB 3.32Å; F294-K298 WeakPolarHBondContact O-CB 3.46Å; F294-K298 WeakPolarHBondContact O-CG 3.46Å; F294-K298 PolarHBondContact O-N 3.48Å; F294-K298 VanDerWaalsContact O-N 3.15Å; G296-K298 PolarHBondContact O-N 3.24Å
299S36.9Very low39.5Very low52 Ų52100.8 Ų100.836%0.36453%0.533SS..THydrogen-bonded Turntrans-77.4-22165.4-161.10000112.6G296 E297G296-S299 WeakPolarHBondContact O-CB 3.49Å; G296-S299 PolarHBondContact O-N 3.24Å; E297-S299 PolarHBondContact O-N 3.01Å; E297-S299 VanDerWaalsContact O-N 3.1Å
300L30Very low38.1Very low125 Ų12597.8 Ų97.865%0.65455%0.545SS*.THydrogen-bonded Turntrans-103.8-16.7-170.3-71.3163.3000114.3E297 K302E297-L300 WeakPolarHBondContact O-CA 3.44Å; E297-L300 WeakPolarHBondContact O-CB 3.29Å; E297-L300 PolarHBondContact O-N 3.07Å; L300-K302 PolarHBondContact O-N 3.34Å; L300-K302 VanDerWaalsContact O-N 3.07Å
301I27.8Very low36.6Very low124 Ų124100.5 Ų100.564%0.63656%0.56SS**  trans-82.991.7177.7-54176.4000109.5E297 T303E297-I301 PolarHBondContact O-N 2.97Å; I301-T303 PolarHBondContact O-N 3.22Å; I301-T303 VanDerWaalsContact O-N 3.11Å
302K30.5Very low35Very low193 Ų193107 Ų10784%0.83959%0.594SS**  trans-51.7111.6155.1-86.2177.4175.2174.50108.4L300 S304L300-K302 PolarHBondContact O-N 3.34Å; L300-K302 VanDerWaalsContact O-N 3.07Å; K302-S304 VanDerWaalsContact C-N 3.32Å; K302-S304 PolarHBondContact O-N 2.82Å
303T25.7Very low33.6Very low133 Ų133113.1 Ų113.182%0.81663%0.631SS**  trans-7291.9159.746.20000108.3I301I301-T303 PolarHBondContact O-N 3.22Å; I301-T303 VanDerWaalsContact O-N 3.11Å
304S26.2Very low32.6Very low107 Ų107115.6 Ų115.675%0.74865%0.65SS**  trans-105.893.9152.1600000107.7K302K302-S304 VanDerWaalsContact C-N 3.32Å; K302-S304 PolarHBondContact O-N 2.82Å
305T25.4Very low31.1Very low124 Ų124120.8 Ų120.876%0.76167%0.673SS**  trans-132.397.7159.3-37.10000107.3
306I27.5Very low29.6Very low171 Ų171126.6 Ų126.688%0.87771%0.713SS**  trans-133116150.4-66.8-178000105.2
307E29Very low28.4Very low187 Ų187131.1 Ų131.187%0.87474%0.741SS**  trans-75.4145.2167.5-69.4178.8144.800110.3
308G25Very low27.5Very low66 Ų66131.3 Ų131.368%0.6875%0.753SS**  trans140.5107.4145.700000118.7
309L26.2Very low26.5Very low187 Ų187135.8 Ų135.898%0.97978%0.775SS**  trans84.6124.3150-72.8110.5000122.3
310G24.1Very low26Very low74 Ų74138.1 Ų138.176%0.76379%0.792SS**  121.692.9129.500000118.8
311E25.8Very low25.8Very low185 Ų185137.9 Ų137.986%0.86480%0.801SS**  trans39136.4141.6-68.4178.2160.300124.7
312D24.6Very low25.6Very low154 Ų154140.8 Ų140.882%0.82481%0.812SS**  trans85122.4145.4-66.1-24.1000125
313V24Very low26.3Very low130 Ų130137.3 Ų137.379%0.78881%0.809SS**  trans-71.6167.5178162.10000111.7
314P33.4Very low26.3Very low111 Ų111134.6 Ų134.672%0.72181%0.807SS**  cis-139.4163.620.81513.6000121
315K26.5Very low26.2Very low203 Ų203135.4 Ų135.488%0.88381%0.811SS**  trans14.8129.8140.8-71.1176.9173.8174.60120.8
316S23.1Very low26.5Very low124 Ų124141.2 Ų141.287%0.86782%0.819SS**  -153.8155.1128.579.80000112.4
317C20.8Very low26.6Very low112 Ų112142.7 Ų142.776%0.75782%0.819SS**  trans-95160.2-162.2-71.70000115.1
318C21.3Very low26.5Very low114 Ų114142.3 Ų142.377%0.7782%0.818SS**  trans63.5149.3148.9-67.60000116.1
319E22.8Very low26.7Very low175 Ų175151.5 Ų151.582%0.81883%0.832SS**  cis-168.3166.530.5-136.2160.9-146.700109.2
320S26.2Very low26.8Very low101 Ų101148.9 Ų148.971%0.70682%0.824SS**  trans-45.6148174.147.20000117.5
321S25.2Very low27.5Very low121 Ų121150.4 Ų150.485%0.84683%0.829SS**  trans177.9116.4131.6-74.10000112.1
322E25.1Very low27.8Very low185 Ų185150 Ų15086%0.86483%0.828SS**  trans-81176.9150.8-88.9-162.2169.700109.6
323P44.4Very low28.4Very low119 Ų119147.4 Ų147.477%0.77382%0.821SS**  cis-133164.6-37.833-15.9000112.4
324G24.8Very low29.3Very low76 Ų76145.8 Ų145.878%0.78481%0.813SS**  trans125.6123150.800000116.8
325C24.5Very low29.8Very low124 Ų124144.7 Ų144.784%0.83881%0.808SS**  -165.1113.3116.8-137.50000110.4K327C325-K327 PolarHBondContact O-N 3.12Å
326R31.8Very low30.6Very low247 Ų247138.1 Ų138.193%0.93279%0.792SS**PPolyproline II helixtrans-59.9119.7161.4-90.9177.3170.2176.7-3.1107.8
327K29.1Very low31.4Very low201 Ų201136.7 Ų136.787%0.87478%0.778SS**PPolyproline II helixtrans-84117.9164.2-72.9-169.3178.9-178.30109.5C325C325-K327 PolarHBondContact O-N 3.12Å
328Q27.3Very low32.4Very low180 Ų180136.9 Ų136.984%0.84177%0.771SS**PPolyproline II helixtrans-62149.2173.4-70.1163-39.500111.2
329W29.2Very low33.5Very low259 Ų259137.7 Ų137.798%0.98176%0.763SS**PPolyproline II helixtrans-68.9125169.5-67.481.6000109.6
330T29.3Very low34.2Very low132 Ų132136.5 Ų136.581%0.8176%0.759SS**PPolyproline II helixtrans-77.7127.2168.546.60000109.6E332T330-E332 PolarHBondContact O-N 3.4Å; T330-E332 VanDerWaalsContact O-N 3.14Å
331A38.8Very low35Very low106 Ų106137.8 Ų137.888%0.87676%0.758SS**  trans-81.879176.600000110.7
332E31.6Very low35.8Very low177 Ų177135.7 Ų135.783%0.82775%0.748SS**  trans-137.2121.6162-72.3-169.5168.800109.7T330T330-E332 PolarHBondContact O-N 3.4Å; T330-E332 VanDerWaalsContact O-N 3.14Å
333S38.3Very low36.6Very low99 Ų99133.4 Ų133.469%0.69274%0.741SS**  trans-68.8122.4176.738.40000110.2S335S333-S335 PolarHBondContact O-N 2.83Å; S333-S335 VanDerWaalsContact O-N 3.15Å
334P41.7Very low36.2Very low96 Ų96130.8 Ų130.862%0.62373%0.73SS**  trans-64.9117.8-178.4-19.431.1000111.1A336 V337P334-A336 PolarHBondContact O-N 3.34Å; P334-V337 PolarHBondContact O-N 2.66Å
335S43.4Very low36.7Very low87 Ų87132.9 Ų132.961%0.60873%0.732SS**Hα-helixtrans-59.4-12.2-178.464.10000114.5S333 V337 Q339S333-S335 PolarHBondContact O-N 2.83Å; S333-S335 VanDerWaalsContact O-N 3.15Å; S335-V337 VanDerWaalsContact C-N 3.34Å; S335-V337 PolarHBondContact O-N 2.89Å; S335-Q339 WeakPolarHBondContact O-CB 3.29Å; S335-Q339 PolarHBondContact O-N 3.21Å; S335-Q339 VanDerWaalsContact O-N 3.14Å
336A43.9Very low37.1Very low65 Ų65135.1 Ų135.154%0.53774%0.735SS.*Hα-helixtrans-64.9-32.2177.200000113.6P334 M340P334-A336 PolarHBondContact O-N 3.34Å; A336-M340 PolarHBondContact O-N 3.27Å
337V40.2Very low37.1Very low95 Ų95128.3 Ų128.358%0.57673%0.731SS**Hα-helixtrans-79.9-35.2-178.2-174.60000111.4P334 S335 M340 L341P334-V337 PolarHBondContact O-N 2.66Å; S335-V337 VanDerWaalsContact C-N 3.34Å; S335-V337 PolarHBondContact O-N 2.89Å; V337-M340 PolarHBondContact O-N 2.74Å; V337-L341 PolarHBondContact O-N 2.66Å
338L41.9Very low37.2Very low116 Ų116123.2 Ų123.261%0.60772%0.721SS**Hα-helixtrans-72.4-34.2176.6-73.4169.8000112.1M340 L341 A342L338-M340 VanDerWaalsContact C-N 3.31Å; L338-L341 PolarHBondContact O-N 2.9Å; L338-A342 PolarHBondContact O-N 2.95Å; L338-A342 VanDerWaalsContact O-N 3.09Å
339Q44.4Very low37.3Very low131 Ų131120.6 Ų120.661%0.61272%0.723SS**Hα-helixtrans-73.1-25.7176.9-151.9164.717.200112.5S335S335-Q339 WeakPolarHBondContact O-CB 3.29Å; S335-Q339 PolarHBondContact O-N 3.21Å; S335-Q339 VanDerWaalsContact O-N 3.14Å
340M38.3Very low37.3Very low150 Ų150115.4 Ų115.474%0.73971%0.714SS**Hα-helixtrans-74.1-33.1171.2-92-150.155.400113.6A336 V337 L338A336-M340 PolarHBondContact O-N 3.27Å; V337-M340 PolarHBondContact O-N 2.74Å; L338-M340 VanDerWaalsContact C-N 3.31Å
341L41.4Very low37.3Very low128 Ų128114.1 Ų114.167%0.6771%0.711SS**Hα-helixtrans-77.1-27.7175.3-75.4166.7000112.7V337 L338 N343V337-L341 PolarHBondContact O-N 2.66Å; L338-L341 PolarHBondContact O-N 2.9Å; L341-N343 VanDerWaalsContact C-N 3.29Å; L341-N343 PolarHBondContact O-N 3.47Å
342A43.1Very low36.9Very low77 Ų77118.1 Ų118.164%0.63671%0.713SS**Hα-helixtrans-70.2-21.3176.400000114L338L338-A342 PolarHBondContact O-N 2.95Å; L338-A342 VanDerWaalsContact O-N 3.09Å
343N41.2Very low36.8Very low137 Ų137114.6 Ų114.673%0.73372%0.715SS**THydrogen-bonded Turntrans-105.17.6-177.2-71.5-14000113.7L341 S345L341-N343 VanDerWaalsContact C-N 3.29Å; L341-N343 PolarHBondContact O-N 3.47Å; N343-S345 PolarHBondContact O-N 3.07Å
344A37.1Very low36.4Very low64 Ų64114.4 Ų114.453%0.52972%0.719SS.*  trans-79.9112.9173.400000109.9L346A344-L346 PolarHBondContact O-N 3.35Å
345S33.8Very low35.7Very low120 Ų120114.9 Ų114.984%0.83973%0.731SS**  trans-64.6113177.5-165.80000110.7N343 A347N343-S345 PolarHBondContact O-N 3.07Å; S345-A347 PolarHBondContact O-N 3.32Å
346L34.5Very low35Very low171 Ų171116.1 Ų116.190%0.89574%0.739SS**  trans-77.995.9171.9-70.7168.3000108.9A344 S348A344-L346 PolarHBondContact O-N 3.35Å; L346-S348 PolarHBondContact O-N 3.02Å; L346-S348 VanDerWaalsContact O-N 3.08Å
347A31.5Very low34.4Very low103 Ų103121.6 Ų121.685%0.85175%0.753SS**  trans-7693.7164.100000109S345S345-A347 PolarHBondContact O-N 3.32Å
348S30.7Very low33.8Very low94 Ų94123.4 Ų123.466%0.65777%0.765SS**  trans-62.9140.2163.4174.60000110.7L346L346-S348 PolarHBondContact O-N 3.02Å; L346-S348 VanDerWaalsContact O-N 3.08Å
349S30.1Very low33Very low126 Ų126121.4 Ų121.488%0.88177%0.772SS**  trans-117.896.6157.2-93.50000107.9
350D28.8Very low32.1Very low150 Ų150120.3 Ų120.380%0.80278%0.779SS**  trans-114.6121.2154.6-91-31.9000107.8
351S29.4Very low31.6Very low105 Ų105118.5 Ų118.573%0.73478%0.776SS**  trans-154.592.6144.363.90000109.8
352M29.8Very low30.9Very low189 Ų189122.7 Ų122.793%0.93178%0.783SS**  trans-154.4101.8147.3-83.2-49.2145.700110.3
353A29.7Very low30.1Very low103 Ų103126.7 Ų126.785%0.85179%0.789SS**  trans-160.3136.2150.700000105.7
354A29.5Very low29.4Very low96 Ų96125 Ų12579%0.79379%0.788SS**  cis-160.3154.522.100000110.9
355A27.3Very low28.8Very low105 Ų105129.5 Ų129.587%0.86880%0.803SS**  trans-157.1121.5138.600000108.8
356C29.4Very low28.5Very low114 Ų114129 Ų12977%0.7780%0.799SS**  trans-85.9168.1-178.7-70.60000113.1
357Q29.5Very low28.2Very low179 Ų179129.6 Ų129.684%0.83680%0.797SS**  trans95.1130.3162.7-55.8-174.141.700114.2
358T27.5Very low28.3Very low134 Ų134129.8 Ų129.882%0.82280%0.799SS**  cis-170.215512.717.60000108.9
359G26.7Very low28.2Very low74 Ų74128.6 Ų128.676%0.76380%0.802SS**  trans111.3103.7148.300000119.8
360S25.7Very low28.4Very low107 Ų107135 Ų13575%0.74881%0.807SS**  trans12.3137.6136.1-169.10000118.4
361T26.4Very low28.4Very low112 Ų112136.8 Ų136.869%0.68781%0.81SS**  -179.6141.564.4-35.80000111.5
362R26.3Very low28.5Very low217 Ų217143.3 Ų143.382%0.81982%0.819SS**  trans36.5136.4146.1-71.7179.1174.6164.5-2.7125.4
363E27.7Very low28.9Very low161 Ų161143.9 Ų143.975%0.75282%0.816SS**  108.6121.2125.7-89.2168.9-150.300123.3
364S25.6Very low28.9Very low102 Ų102147.7 Ų147.771%0.71382%0.816SS**  trans64.3118.9137.272.90000123.8
365D25.9Very low29.1Very low157 Ų157154.8 Ų154.884%0.8482%0.823SS**  42.4138.7128.7-74.1-17.6000123.4
366S26.2Very low29.8Very low109 Ų109155.6 Ų155.676%0.76282%0.816SS**  trans117127.6134.767.10000120
367E27.7Very low30.2Very low184 Ų184162.2 Ų162.286%0.8683%0.825SS**  trans71.9114.8146.9-70.3-172.8159.200123.8
368A33.7Very low30.6Very low107 Ų107161.3 Ų161.388%0.88482%0.821SS**  37.9106126.800000119.5
369G28.5Very low31.2Very low70 Ų70157.2 Ų157.272%0.72280%0.801SS**  trans-160.695.7160.600000111.7Q371G369-Q371 PolarHBondContact O-N 3.1Å
370R34.6Very low32.2Very low260 Ų260158 Ų15898%0.98179%0.793SS**  trans-61.697.4167.6-78.7175.9172.7172.3-2.4109R372R370-R372 PolarHBondContact O-N 2.85Å
371Q29.7Very low33.3Very low188 Ų188161 Ų16188%0.87980%0.795SS**  trans-68.2116.8169.6-77-177.1-17.900109.7G369 K373G369-Q371 PolarHBondContact O-N 3.1Å; Q371-K373 PolarHBondContact O-N 2.94Å
372R31.5Very low34.3Very low242 Ų242166.1 Ų166.191%0.91380%0.801SS**  trans-54.6128.5164.9-88.4176173172-2108.6R370 Q374R370-R372 PolarHBondContact O-N 2.85Å; R372-Q374 PolarHBondContact O-N 3.49Å
373K37Very low35Very low201 Ų201160.4 Ų160.487%0.87479%0.787SS**  trans-58.5109.4172.5-68.9-178177.9-178.90109.2Q371 W375Q371-K373 PolarHBondContact O-N 2.94Å; K373-W375 PolarHBondContact O-N 3.33Å
374Q30.8Very low35.8Very low182 Ų182156.6 Ų156.685%0.8577%0.771SS**PPolyproline II helixtrans-69.1123.4171.8-168.7170.7-1.700108.1R372 V376R372-Q374 PolarHBondContact O-N 3.49Å; Q374-V376 PolarHBondContact O-N 3.43Å
375W33.9Very low36.5Very low246 Ų246153 Ų15393%0.93275%0.75SS**PPolyproline II helixtrans-67.2117.3173.2-70.486000108.5K373K373-W375 PolarHBondContact O-N 3.33Å
376V42.3Very low37.3Very low121 Ų121151.2 Ų151.273%0.73374%0.74SS**PPolyproline II helixtrans-68.4131.2172.4-179.80000107.9Q374 E378Q374-V376 PolarHBondContact O-N 3.43Å; V376-E378 HydrophobicContact CG1-CB 4.39Å; V376-E378 PolarHBondContact O-N 2.99Å
377R37Very low38Very low254 Ų254151.2 Ų151.296%0.95873%0.731SS**SBendtrans-75.83.3-170.9-139.3179.7-159.3-148.33.9114.1
378E38.6Very low38.7Very low159 Ų159150.5 Ų150.574%0.74373%0.727SS**SBendtrans-113.7140-172.2-66-176.8175.600111.2V376V376-E378 HydrophobicContact CG1-CB 4.39Å; V376-E378 PolarHBondContact O-N 2.99Å
379A39.6Very low38.8Very low48 Ų48153.7 Ų153.740%0.39772%0.721SS.*  trans-65135.7-18000000109.7E381A379-E381 PolarHBondContact O-N 3.41Å
380P48.6Very low39.1Very low92 Ų92153.6 Ų153.660%0.59771%0.714SS**  trans-58.3125.1-178.4-20.329.9000110.5R382 L383P380-R382 PolarHBondContact O-N 3.46Å; P380-L383 WeakPolarHBondContact O-CB 3.07Å; P380-L383 PolarHBondContact O-N 3.46Å
381E47.7Very low39Very low170 Ų170150.4 Ų150.479%0.79471%0.71SS**Hα-helixtrans-53.3-27.4-178-65-178.9160.400112.9A379 L383 L384 G385A379-E381 PolarHBondContact O-N 3.41Å; E381-L383 VanDerWaalsContact C-N 3.33Å; E381-L383 PolarHBondContact O-N 3.03Å; E381-L384 PolarHBondContact O-N 2.93Å; E381-G385 PolarHBondContact O-N 3.21Å
382R47.2Very low39.4Very low218 Ų218147.1 Ų147.182%0.82370%0.698SS**Hα-helixtrans-61.1-34.1173.6-73.4-170.4170.8178.1-1.8114P380 L386P380-R382 PolarHBondContact O-N 3.46Å; R382-L386 WeakPolarHBondContact O-CG 3.47Å; R382-L386 PolarHBondContact O-N 2.8Å
383L42Very low39.3Very low98 Ų98140.8 Ų140.851%0.51368%0.682SS.*Hα-helixtrans-71.8-38.5176.9-17079000110.9P380 E381 L386 L387P380-L383 WeakPolarHBondContact O-CB 3.07Å; P380-L383 PolarHBondContact O-N 3.46Å; E381-L383 VanDerWaalsContact C-N 3.33Å; E381-L383 PolarHBondContact O-N 3.03Å; L383-L386 PolarHBondContact O-N 3.24Å; L383-L387 WeakPolarHBondContact O-CG 3.48Å; L383-L387 PolarHBondContact O-N 3.17Å
384L42.8Very low39.1Very low81 Ų81141.1 Ų141.142%0.42468%0.684SS.*Hα-helixtrans-68.9-41.6177.8-65.2173.6000111.2E381 L386 L387 E388E381-L384 PolarHBondContact O-N 2.93Å; L384-L386 VanDerWaalsContact C-N 3.3Å; L384-L386 PolarHBondContact O-N 2.77Å; L384-L387 PolarHBondContact O-N 3.44Å; L384-E388 PolarHBondContact O-N 3.46Å; L384-E388 VanDerWaalsContact O-N 3.13Å
385G40.8Very low38.9Very low27 Ų27134.8 Ų134.828%0.27866%0.662SS.*Hα-helixtrans-68.6-23.2175.800000114.8E381 K389E381-G385 PolarHBondContact O-N 3.21Å; G385-K389 WeakPolarHBondContact O-CG 3.31Å
386L44.1Very low39.2Very low118 Ų118127.1 Ų127.162%0.61864%0.636SS**Hα-helixtrans-76.4-36.4172.5-86.6163.3000112.2R382 L383 L384 K389R382-L386 WeakPolarHBondContact O-CG 3.47Å; R382-L386 PolarHBondContact O-N 2.8Å; L383-L386 PolarHBondContact O-N 3.24Å; L384-L386 VanDerWaalsContact C-N 3.3Å; L384-L386 PolarHBondContact O-N 2.77Å; L386-K389 PolarHBondContact O-N 3.1Å
387L39.9Very low38.7Very low109 Ų109125 Ų12557%0.57163%0.626SS**Hα-helixtrans-71-33.6177.3-71.6168.1000112.2L383 L384 K389L383-L387 WeakPolarHBondContact O-CG 3.48Å; L383-L387 PolarHBondContact O-N 3.17Å; L384-L387 PolarHBondContact O-N 3.44Å; L387-K389 VanDerWaalsContact C-N 3.28Å; L387-K389 PolarHBondContact O-N 3.19Å
388E41.8Very low38.7Very low169 Ų169115 Ų11579%0.7959%0.593SS**Hα-helixtrans-66.9-27.2176.9-167.7178.5-165.500113L384L384-E388 PolarHBondContact O-N 3.46Å; L384-E388 VanDerWaalsContact O-N 3.13Å
389K37.1Very low38.5Very low174 Ų174109.7 Ų109.776%0.75757%0.568SS**THydrogen-bonded Turntrans-97.3-2.9-175.1-67.5179.5-178.3179.40114.5G385 L386 L387 Q391G385-K389 WeakPolarHBondContact O-CG 3.31Å; L386-K389 PolarHBondContact O-N 3.1Å; L387-K389 VanDerWaalsContact C-N 3.28Å; L387-K389 PolarHBondContact O-N 3.19Å; K389-Q391 PolarHBondContact O-N 3.16Å
390A34.7Very low38.2Very low68 Ų68114 Ų11456%0.56258%0.584SS**  trans-78.3105.2-17900000111.1L392A390-L392 PolarHBondContact O-N 3.22Å
391Q31.5Very low37.4Very low193 Ų193114.5 Ų114.590%0.90258%0.58SS**  trans-74.9124.8171.5-72.9-172.9-0.600111.2K389 N393K389-Q391 PolarHBondContact O-N 3.16Å; Q391-N393 PolarHBondContact O-N 3.34Å
392L38.5Very low36.5Very low119 Ų119113.2 Ų113.262%0.62357%0.574SS**  trans-78.7108.6179.3-70163000111A390 F396A390-L392 PolarHBondContact O-N 3.22Å; L392-F396 HydrophobicContact CB-CE2 4.17Å; L392-F396 HydrophobicContact CD2-CD2 4.37Å; L392-F396 HydrophobicContact CD2-CE2 3.92Å
393N28.4Very low35.7Very low110 Ų110112.2 Ų112.259%0.58857%0.57SS**  trans-76.2141.9173.5-167.5-14.8000112.3Q391 A395 F396Q391-N393 PolarHBondContact O-N 3.34Å; N393-A395 PolarHBondContact O-N 3.32Å; N393-F396 HydrophobicContact CB-CE2 4.18Å; N393-F396 HydrophobicContact CB-CZ 4.13Å; N393-F396 WeakPolarHBondContact O-CD2 3.42Å; N393-F396 WeakPolarHBondContact O-CE2 3.49Å; N393-F396 WeakPolarHBondContact O-CG 3.11Å
394K33Very low35Very low207 Ų207109.6 Ų109.690%0.957%0.566SS**THydrogen-bonded Turntrans-67.74.1178.7-74.4179.1176.7178.40115.3F396K394-F396 PolarHBondContact O-N 2.86Å
395A28.4Very low34.7Very low49 Ų49113.5 Ų113.541%0.40559%0.588SS.*THydrogen-bonded Turntrans-69.8-1.517600000114.8N393 S397N393-A395 PolarHBondContact O-N 3.32Å; A395-S397 PolarHBondContact O-N 3.15Å
396F39.1Very low34.6Very low86 Ų86120 Ų12038%0.37762%0.616SS.*  trans-8720.3-169.9-55.2-51.4000116.2V164 L392 N393 K394 T398V164-F396 HydrophobicContact CG2-CD1 4.36Å; L392-F396 HydrophobicContact CB-CE2 4.17Å; L392-F396 HydrophobicContact CD2-CD2 4.37Å; L392-F396 HydrophobicContact CD2-CE2 3.92Å; N393-F396 HydrophobicContact CB-CE2 4.18Å; N393-F396 HydrophobicContact CB-CZ 4.13Å; N393-F396 WeakPolarHBondContact O-CD2 3.42Å; N393-F396 WeakPolarHBondContact O-CE2 3.49Å; N393-F396 WeakPolarHBondContact O-CG 3.11Å; K394-F396 PolarHBondContact O-N 2.86Å; F396-T398 PolarHBondContact O-N 3.18Å
397S31.6Very low34.5Very low76 Ų76120.4 Ų120.453%0.53162%0.619SS.*THydrogen-bonded Turntrans-95.551-175.5-161.40000113.9A395A395-S397 PolarHBondContact O-N 3.15Å
398T37Very low35.2Very low43 Ų43118.5 Ų118.526%0.26461%0.613SS.*THydrogen-bonded Turntrans-92.9-7.6168.7-9.20000112.7V164 F396V164-T398 VanDerWaalsContact CG1-OG1 3.3Å; V164-T398 WeakPolarHBondContact CG1-OG1 3.26Å; F396-T398 PolarHBondContact O-N 3.18Å
399F35.4Very low36Very low48 Ų48111.8 Ų111.821%0.21158%0.583CS.*SBendtrans-131131164.6-66.7-84.1000107.1K132 T166 I401K132-F399 HydrophobicContact CD-CE1 4.34Å; K132-F399 HydrophobicContact CD-CZ 4.39Å; T166-F399 WeakPolarHBondContact OG1-CE1 3.28Å; T166-F399 WeakPolarHBondContact OG1-CE2 3.39Å; T166-F399 WeakPolarHBondContact OG1-CZ 3.44Å; F399-I401 HydrophobicContact CB-CD1 4.45Å; F399-I401 HydrophobicContact CB-CG1 3.88Å; F399-I401 PolarHBondContact O-N 3.45Å
400L31.5Very low37Very low140 Ų140108 Ų10873%0.73357%0.574SS**  trans-70.368.7162.6-128.8137.3000107.2H402L400-H402 VanDerWaalsContact C-N 3.3Å; L400-H402 WeakPolarHBondContact CD2-CE1 3.47Å; L400-H402 PolarHBondContact O-N 3.5Å; L400-H402 VanDerWaalsContact O-N 3.1Å
401I33.3Very low38.4Very low102 Ų102105 Ų10552%0.52355%0.55SS..  trans-70.1101.8159.1-58.1177.2000102.9F399 R403F399-I401 HydrophobicContact CB-CD1 4.45Å; F399-I401 HydrophobicContact CB-CG1 3.88Å; F399-I401 PolarHBondContact O-N 3.45Å; I401-R403 VanDerWaalsContact C-N 3.29Å; I401-R403 PolarHBondContact O-N 3.49Å
402H27.7Very low40.3Very low143 Ų14398.4 Ų98.466%0.66252%0.523SS*.  trans-56.998.3172.3-80.668.9000107.3L400 G404L400-H402 VanDerWaalsContact C-N 3.3Å; L400-H402 WeakPolarHBondContact CD2-CE1 3.47Å; L400-H402 PolarHBondContact O-N 3.5Å; L400-H402 VanDerWaalsContact O-N 3.1Å; H402-G404 PolarHBondContact O-N 3.1Å
403R30.3Very low42.1Very low197 Ų19792.8 Ų92.874%0.74349%0.494SS*.  trans-75.482160.8-79-165.1-179.1-166.6-0.1106.9I401I401-R403 VanDerWaalsContact C-N 3.29Å; I401-R403 PolarHBondContact O-N 3.49Å
404G28.5Very low44.2Very low42 Ų4289.3 Ų89.343%0.43348%0.478SS..  trans-99.3131.7143.300000105.8H402 D406H402-G404 PolarHBondContact O-N 3.1Å; G404-D406 PolarHBondContact O-N 3.11Å
405D36.1Very low45.6Very low163 Ų16386.4 Ų86.487%0.87246%0.462SS*.THydrogen-bonded Turntrans-46.1136.3176.2-65.3-48.2000110.3
406D38.8Very low46.3Very low163 Ų16393.5 Ų93.587%0.87249%0.487SS*.THydrogen-bonded Turntrans82.319.8178.4-54-31.4000120.7G404G404-D406 PolarHBondContact O-N 3.11Å
407N42.8Very low46.3Very low127 Ų12797.9 Ų97.968%0.67951%0.508SS*.  trans-100.6131.2169.6-86.7-29000114.3
408P53.8Low46.7Very low69 Ų6997.3 Ų97.345%0.44851%0.514SS..  trans-62.4158.4176.919.3-25000112.3V410P408-V410 HydrophobicContact CB-CG2 4.03Å; P408-V410 HydrophobicContact CG-CG2 3.72Å; P408-V410 WeakPolarHBondContact O-CG2 3.34Å; P408-V410 PolarHBondContact O-N 3.47Å
409L58Low46.6Very low29 Ų29102 Ų10215%0.15254%0.538CS..  trans-65.478.6172.4-70.3179.8000111.8Y168 A205 S206 W208Y168-L409 PolarHBondContact OH-O 3.04Å; A205-L409 WeakPolarHBondContact O-CB 3.11Å; S206-L409 PolarHBondContact O-N 3.21Å; W208-L409 HydrophobicContact CB-CD1 4.08Å; W208-L409 VanDerWaalsContact CD1-CD1 3.48Å; W208-L409 HydrophobicContact CD2-CD1 3.83Å; W208-L409 HydrophobicContact CG-CD1 3.53Å
410V59.7Low46.8Very low93 Ų93107.1 Ų107.156%0.56457%0.567SS**  trans-94.9117-176.2176.60000108.7P408 S414P408-V410 HydrophobicContact CB-CG2 4.03Å; P408-V410 HydrophobicContact CG-CG2 3.72Å; P408-V410 WeakPolarHBondContact O-CG2 3.34Å; P408-V410 PolarHBondContact O-N 3.47Å; V410-S414 WeakPolarHBondContact CG1-OG 3.11Å
411G63.2Low47.2Very low6 Ų6106.4 Ų106.46%0.06257%0.569CS.*  trans-81163.9-17800000113.1Y168 L413 S414Y168-G411 VanDerWaalsContact CE2-CA 3.44Å; Y168-G411 WeakPolarHBondContact OH-CA 3.36Å; Y168-G411 PolarHBondContact OH-N 3.15Å; Y168-G411 VanDerWaalsContact OH-N 3.08Å; G411-L413 PolarHBondContact O-N 3.12Å; G411-S414 WeakPolarHBondContact O-CB 3.4Å; G411-S414 PolarHBondContact O-N 2.8Å; G411-S414 PolarHBondContact O-OG 3.16Å
412P70.6Confident47.6Very low54 Ų54109.9 Ų109.935%0.35159%0.589SS.*THydrogen-bonded Turntrans-63.5-11.1-177.827.3-35.9000114.7L88 Q92 H201L88-P412 HydrophobicContact CD1-CG 4.3Å; L88-P412 HydrophobicContact CD2-CG 4.37Å; Q92-P412 PolarHBondContact NE2-O 2.87Å; Q92-P412 VanDerWaalsContact NE2-O 3.14Å; H201-P412 WeakPolarHBondContact NE2-CD 3.45Å
413L77.4Confident47.8Very low1 Ų1105.9 Ų105.91%0.00559%0.586CS.*THydrogen-bonded Turntrans-113.26.3177.3-60.9-177.5000114.1L88 I91 Q92 Q95 E195 G411L88-L413 HydrophobicContact CD1-CD1 4.16Å; L88-L413 HydrophobicContact CD1-CD2 3.78Å; L88-L413 HydrophobicContact CD1-CG 3.88Å; I91-L413 HydrophobicContact CB-CD2 4.48Å; I91-L413 HydrophobicContact CG2-CD1 3.99Å; I91-L413 HydrophobicContact CG2-CD2 3.68Å; Q92-L413 HydrophobicContact CG-CD2 3.74Å; Q95-L413 PolarHBondContact NE2-O 2.89Å; E195-L413 HydrophobicContact CB-CD1 4.42Å; E195-L413 HydrophobicContact CG-CD1 3.84Å; G411-L413 PolarHBondContact O-N 3.12Å
414S71.8Confident48Very low37 Ų37102.7 Ų102.726%0.25959%0.591SS.*  trans-68.3137.217859.70000111.4V410 G411V410-S414 WeakPolarHBondContact CG1-OG 3.11Å; G411-S414 WeakPolarHBondContact O-CB 3.4Å; G411-S414 PolarHBondContact O-N 2.8Å; G411-S414 PolarHBondContact O-OG 3.16Å
415R62.1Low48.5Very low147 Ų147109.5 Ų109.556%0.55561%0.611SS**  trans-86.6138.9163.8-68.5-174.6177.5173.4-4.6108.8Q417R415-Q417 VanDerWaalsContact C-N 3.26Å; R415-Q417 PolarHBondContact O-N 3.46Å
416Q44.2Very low48.3Very low198 Ų198109.4 Ų109.493%0.92561%0.61SS**SBendtrans-69.586.5169-74.8-173.4-13.500108.6
417Q39.2Very low48Very low178 Ų178110.4 Ų110.483%0.83261%0.609SS**  trans-153.9143.5165.8-1131648.900109.6R415R415-Q417 VanDerWaalsContact C-N 3.26Å; R415-Q417 PolarHBondContact O-N 3.46Å
418G39.2Very low47.6Very low64 Ų64110.5 Ų110.566%0.6661%0.614SS**  trans-60154.2-168.700000113.8D420G418-D420 PolarHBondContact O-N 2.78Å
419D35.3Very low46.6Very low141 Ų141111.7 Ų111.775%0.75463%0.63SS**  trans-55.1101.2174.4-16024.5000109.6T421D419-T421 PolarHBondContact O-N 2.96Å
420D39Very low45.6Very low156 Ų156116.3 Ų116.383%0.83466%0.655SS**  trans-77.5114.1169-82.5-33.3000108.5G418G418-D420 PolarHBondContact O-N 2.78Å
421T41.3Very low44.6Very low125 Ų125120.7 Ų120.777%0.76767%0.669SS**  trans-50.7143.6179.141.10000114.1D419 G423D419-T421 PolarHBondContact O-N 2.96Å; T421-G423 PolarHBondContact O-N 3.36Å
422D39.8Very low43.3Very low175 Ų175130.1 Ų130.194%0.93670%0.704SS**  trans-40.2105.9169-65.8-44.3000112.4
423G31.9Very low41.8Very low59 Ų59138.7 Ų138.761%0.60873%0.73SS**PPolyproline II helixtrans-84154.5165.900000111.2T421 E425T421-G423 PolarHBondContact O-N 3.36Å; G423-E425 PolarHBondContact O-N 2.94Å
424P36.4Very low40.2Very low130 Ų130146.3 Ų146.384%0.84477%0.77SS**PPolyproline II helixtrans-67133-168.827.7-32.8000111.7L426P424-L426 PolarHBondContact O-N 3.14Å
425E37.5Very low38.3Very low184 Ų184152.8 Ų152.886%0.8680%0.796SS**PPolyproline II helixtrans-54.8124.6171.3-82.1175.2137.500110.7G423 E427G423-E425 PolarHBondContact O-N 2.94Å; E425-E427 PolarHBondContact O-N 3.42Å
426L31.4Very low37.3Very low162 Ų162151.3 Ų151.385%0.84881%0.805SS**  trans-85.8102.6158.2-79.1167000107.6P424 V428P424-L426 PolarHBondContact O-N 3.14Å; L426-V428 VanDerWaalsContact C-N 3.34Å; L426-V428 PolarHBondContact O-N 3.27Å
427E33.4Very low37.1Very low183 Ų183153 Ų15386%0.85580%0.803SS**  trans-63.295.4165.3-73-169.3158.800109.1E425 A429E425-E427 PolarHBondContact O-N 3.42Å; E427-A429 PolarHBondContact O-N 3.42Å
428V35.2Very low37Very low129 Ų129149 Ų14978%0.78279%0.794SS**  trans-84.993.6162.2-171.90000106.7L426 D430L426-V428 VanDerWaalsContact C-N 3.34Å; L426-V428 PolarHBondContact O-N 3.27Å; V428-D430 PolarHBondContact O-N 2.96Å; V428-D430 VanDerWaalsContact O-N 3.11Å
429A32.8Very low37.5Very low94 Ų94149.1 Ų149.178%0.77778%0.78SS**  trans-66.4102.3167.100000108.6E427E427-A429 PolarHBondContact O-N 3.42Å
430D36.6Very low37.9Very low127 Ų127147.2 Ų147.268%0.67977%0.77SS**  trans-87.5107.4171.4-162.3-8000108.4V428 Y432V428-D430 PolarHBondContact O-N 2.96Å; V428-D430 VanDerWaalsContact O-N 3.11Å; D430-Y432 VanDerWaalsContact C-N 3.26Å; D430-Y432 PolarHBondContact O-N 3.05Å
431E37.6Very low38.1Very low184 Ų184148.3 Ų148.386%0.8677%0.77SS**  trans-82.89.2-170.4-135.4177-166.800114R433E431-R433 PolarHBondContact O-N 3.14Å
432Y36.4Very low38.2Very low205 Ų205144.7 Ų144.780%0.80475%0.746SS**  trans-98.669.4173.8-62.6-77.6000111.7D430 L434D430-Y432 VanDerWaalsContact C-N 3.26Å; D430-Y432 PolarHBondContact O-N 3.05Å; Y432-L434 PolarHBondContact O-N 3.31Å
433R39.8Very low38.6Very low233 Ų233141.4 Ų141.488%0.87973%0.733SS**  trans-72.175.9170-164.4178.4-169.9162.72110.1E431 Q435E431-R433 PolarHBondContact O-N 3.14Å; R433-Q435 PolarHBondContact O-N 2.97Å
434L42.1Very low39.3Very low161 Ų161140.3 Ų140.384%0.84371%0.713SS**PPolyproline II helixtrans-67.9119.5155.4-69.6173.8000106.8Y432Y432-L434 PolarHBondContact O-N 3.31Å
435Q33Very low39.7Very low174 Ų174136.5 Ų136.581%0.81368%0.683SS**PPolyproline II helixtrans-49.4128.9177.2-68.5177.6-10.900109.2R433 R437R433-Q435 PolarHBondContact O-N 2.97Å; Q435-R437 PolarHBondContact O-N 2.87Å
436P41.9Very low39.9Very low116 Ų116133.2 Ų133.275%0.75367%0.667SS**PPolyproline II helixtrans-56.4127166.1-16.528.8000107S438P436-S438 PolarHBondContact O-N 3.04Å
437R38.2Very low40.4Very low234 Ų234134.3 Ų134.388%0.88367%0.668SS**PPolyproline II helixtrans-56125.3160.4-79.2-177.2161162.8-5.3106.1Q435 D439Q435-R437 PolarHBondContact O-N 2.87Å; R437-D439 PolarHBondContact O-N 3.25Å
438S38.7Very low40.6Very low92 Ų92133.7 Ų133.764%0.64367%0.666SS**  trans-63.9103.3174.452.30000107.8P436 D440P436-S438 PolarHBondContact O-N 3.04Å; S438-D440 PolarHBondContact O-N 2.97Å
439D49Very low40.8Very low67 Ų67130.9 Ų130.936%0.35865%0.652SS.*G310 helixtrans-70.325.9171.2-107.613.8000111.8R437 E441 D442R437-D439 PolarHBondContact O-N 3.25Å; D439-E441 PolarHBondContact O-N 3.38Å; D439-E441 VanDerWaalsContact O-N 3.12Å; D439-D442 HydrophobicContact CB-CB 4.1Å; D439-D442 PolarHBondContact O-N 3.08Å
440D44.5Very low41.2Very low102 Ų102132.3 Ų132.355%0.54565%0.653SS.*G310 helixtrans-65.8-11.8177.8-75.7-48.9000112.2K244 S438K244-D440 IonicContact NZ-OD1 3.42Å; K244-D440 PolarHBondContact NZ-OD1 2.92Å; S438-D440 PolarHBondContact O-N 2.97Å
441E41.8Very low41.6Very low178 Ų178127.8 Ų127.883%0.83263%0.631SS**G310 helixtrans-97.8-11174.7-63-87.2130.400113.1D439 T443D439-E441 PolarHBondContact O-N 3.38Å; D439-E441 VanDerWaalsContact O-N 3.12Å; E441-T443 PolarHBondContact O-N 2.95Å
442D43.9Very low42.4Very low50 Ų50125.4 Ų125.427%0.26762%0.624SS.*  trans-86.140.8-177-112.729.7000111.5D439 D444D439-D442 HydrophobicContact CB-CB 4.1Å; D439-D442 PolarHBondContact O-N 3.08Å; D442-D444 PolarHBondContact O-N 2.75Å; D442-D444 VanDerWaalsContact O-N 3.13Å
443T47.3Very low43.6Very low106 Ų106117.7 Ų117.765%0.6559%0.594SS**  trans-73.389.4148.650.30000105.8E441 F445E441-T443 PolarHBondContact O-N 2.95Å; T443-F445 PolarHBondContact O-N 3.1Å
444D48.2Very low44.4Very low35 Ų35106.9 Ų106.919%0.18755%0.553CS.*  trans-5823.4-176.3-61.5-72.9000115.9S248 D442 E446S248-D444 WeakPolarHBondContact CB-OD2 3.5Å; S248-D444 PolarHBondContact OG-OD1 3.39Å; S248-D444 PolarHBondContact OG-OD2 2.94Å; D442-D444 PolarHBondContact O-N 2.75Å; D442-D444 VanDerWaalsContact O-N 3.13Å; D444-E446 PolarHBondContact O-N 3.26Å
445F44.4Very low45.2Very low50 Ų50103.2 Ų103.222%0.21954%0.535CS..  trans-95.576.2163.1-56.3-61.5000107.3R123 L153 T443 E447R123-F445 HydrophobicContact CB-CD1 4.19Å; R123-F445 HydrophobicContact CB-CE1 3.81Å; R123-F445 HydrophobicContact CG-CD1 3.47Å; R123-F445 VanDerWaalsContact CG-CD1 3.47Å; R123-F445 HydrophobicContact CG-CE1 3.59Å; L153-F445 HydrophobicContact CB-CZ 4.5Å; L153-F445 HydrophobicContact CD1-CE1 3.95Å; L153-F445 HydrophobicContact CD1-CE2 4.14Å; L153-F445 HydrophobicContact CD1-CZ 3.3Å; L153-F445 HydrophobicContact CD2-CE2 3.73Å; L153-F445 HydrophobicContact CD2-CZ 3.76Å; L153-F445 HydrophobicContact CG-CE2 4.38Å; L153-F445 HydrophobicContact CG-CZ 4Å; T443-F445 PolarHBondContact O-N 3.1Å; F445-E447 PolarHBondContact O-N 3.02Å; F445-E447 VanDerWaalsContact O-N 3.09Å
446E41.2Very low46.6Very low115 Ų11598.6 Ų98.654%0.53751%0.513SS..  trans-48.6125.4159.9-70.4-170.5-132.900106.8R250 D444 E448R250-E446 IonicContact CZ-OE1 2.63Å; R250-E446 IonicContact NH1-OE1 3.01Å; R250-E446 PolarHBondContact NH1-OE1 2.99Å; R250-E446 IonicContact NH2-OE1 3.16Å; R250-E446 PolarHBondContact NH2-OE1 3.44Å; D444-E446 PolarHBondContact O-N 3.26Å; E446-E448 PolarHBondContact O-N 3.12Å
447E41.6Very low47.6Very low186 Ų18693 Ų9387%0.86948%0.477SS*.SBendtrans-64.82.1-178.6-79.9-174.4148.200112.6F445 S449F445-E447 PolarHBondContact O-N 3.02Å; F445-E447 VanDerWaalsContact O-N 3.09Å; E447-S449 PolarHBondContact O-N 3.46Å
448E38.9Very low48.7Very low170 Ų17083.9 Ų83.979%0.79444%0.444SS*.  trans-92.859178.5-63.5-167.1171.200112.6E446E446-E448 PolarHBondContact O-N 3.12Å
449S38.9Very low49.7Very low70 Ų7086.5 Ų86.549%0.4944%0.444SS..  trans-156.4111.2147.9-87.90000108.1E447 C451E447-S449 PolarHBondContact O-N 3.46Å; S449-C451 PolarHBondContact O-N 3.14Å
450P40.5Very low50.1Low124 Ų12484.9 Ų84.981%0.80544%0.435SS*.  trans-67.483.3165.328.4-28.8000106.4D452P450-D452 PolarHBondContact O-N 3.09Å
451C45.7Very low50.5Low32 Ų3281.5 Ų81.522%0.21642%0.415CS..  trans-75.475.2174.6-83.10000107.7S449 W453 V454S449-C451 PolarHBondContact O-N 3.14Å; C451-W453 PolarHBondContact O-N 3.01Å; C451-W453 PolarHBondContact SG-NE1 3.19Å; C451-V454 HydrophobicContact CB-CB 4.45Å; C451-V454 HydrophobicContact CB-CG2 3.97Å; C451-V454 PolarHBondContact O-N 3.44Å
452D54.3Low50.5Low133 Ų13376.9 Ų76.971%0.71140%0.403SS*.Hα-helixtrans-46.4-26.3173.4-92.8-21.1000112.8P450 E456P450-D452 PolarHBondContact O-N 3.09Å; D452-E456 WeakPolarHBondContact O-CB 3.39Å; D452-E456 PolarHBondContact O-N 3.15Å
453W61.9Low50.2Low44 Ų4479.9 Ų79.917%0.16742%0.415CS..Hα-helixtrans-75.8-27.4-178.183.6-95.8000113.1R56 K122 V124 C451 E456 V457R56-W453 PolarHBondContact NH1-O 3.14Å; K122-W453 HydrophobicContact CB-CH2 4.24Å; K122-W453 HydrophobicContact CB-CZ2 3.67Å; K122-W453 HydrophobicContact CG-CZ2 3.95Å; K122-W453 WeakPolarHBondContact O-CH2 2.83Å; K122-W453 WeakPolarHBondContact O-CZ2 3.5Å; V124-W453 HydrophobicContact CG2-CH2 3.92Å; C451-W453 PolarHBondContact O-N 3.01Å; C451-W453 PolarHBondContact SG-NE1 3.19Å; W453-E456 PolarHBondContact O-N 2.81Å; W453-V457 HydrophobicContact CE3-CB 4.37Å; W453-V457 HydrophobicContact CE3-CG2 3.65Å; W453-V457 HydrophobicContact CZ3-CB 4.45Å; W453-V457 HydrophobicContact CZ3-CG2 3.89Å; W453-V457 WeakPolarHBondContact O-CB 3.49Å; W453-V457 VanDerWaalsContact O-CG2 3.27Å; W453-V457 WeakPolarHBondContact O-CG2 3.48Å; W453-V457 PolarHBondContact O-N 3.28Å
454V56.6Low49.7Very low5 Ų585.8 Ų85.83%0.0344%0.435CS..Hα-helixtrans-65.5-47.3175.2165.80000108.5V152 C451 E456 V457 E458V152-V454 HydrophobicContact CG1-CG1 3.7Å; V152-V454 HydrophobicContact CG1-CG2 4.44Å; C451-V454 HydrophobicContact CB-CB 4.45Å; C451-V454 HydrophobicContact CB-CG2 3.97Å; C451-V454 PolarHBondContact O-N 3.44Å; V454-E456 VanDerWaalsContact C-N 3.3Å; V454-E456 PolarHBondContact O-N 3.31Å; V454-V457 PolarHBondContact O-N 3.42Å; V454-E458 HydrophobicContact CG1-CG 4.45Å; V454-E458 WeakPolarHBondContact O-CB 3.11Å; V454-E458 WeakPolarHBondContact O-CG 3.36Å; V454-E458 PolarHBondContact O-N 3.18Å
455D59Low49.8Very low85 Ų8588.4 Ų88.446%0.45545%0.448SS..Hα-helixtrans-64.1-34.6175.2-65.6-20.6000112K459D455-K459 VanDerWaalsContact O-CB 3.29Å; D455-K459 WeakPolarHBondContact O-CB 3.49Å; D455-K459 WeakPolarHBondContact O-CG 2.88Å; D455-K459 PolarHBondContact O-N 3.43Å
456E62.9Low50Low76 Ų7690.4 Ų90.436%0.35546%0.46SS..Hα-helixtrans-65.5-43.5173-170-168.6-150.100111.8R56 D452 W453 V454 K459 I460R56-E456 IonicContact CZ-OE2 3.77Å; R56-E456 VanDerWaalsContact CZ-OE2 3.3Å; R56-E456 IonicContact NH1-OE2 2.85Å; R56-E456 PolarHBondContact NH1-OE2 3.14Å; R56-E456 IonicContact NH2-OE2 2.85Å; R56-E456 PolarHBondContact NH2-OE2 3.3Å; D452-E456 WeakPolarHBondContact O-CB 3.39Å; D452-E456 PolarHBondContact O-N 3.15Å; W453-E456 PolarHBondContact O-N 2.81Å; V454-E456 VanDerWaalsContact C-N 3.3Å; V454-E456 PolarHBondContact O-N 3.31Å; E456-K459 PolarHBondContact O-N 2.72Å; E456-I460 HydrophobicContact CG-CD1 4.46Å; E456-I460 WeakPolarHBondContact O-CD1 3.42Å; E456-I460 WeakPolarHBondContact O-CG1 3.49Å; E456-I460 PolarHBondContact O-N 2.94Å
457V62.1Low50.5Low0 Ų089 Ų890%046%0.455CS..Hα-helixtrans-67.4-39.8176170.80000111V52 R56 V152 W453 V454 I460 F461V52-V457 HydrophobicContact CG1-CG2 4.22Å; R56-V457 VanDerWaalsContact NH1-CG2 3.29Å; V152-V457 HydrophobicContact CG2-CG1 4.1Å; W453-V457 HydrophobicContact CE3-CB 4.37Å; W453-V457 HydrophobicContact CE3-CG2 3.65Å; W453-V457 HydrophobicContact CZ3-CB 4.45Å; W453-V457 HydrophobicContact CZ3-CG2 3.89Å; W453-V457 WeakPolarHBondContact O-CB 3.49Å; W453-V457 VanDerWaalsContact O-CG2 3.27Å; W453-V457 WeakPolarHBondContact O-CG2 3.48Å; W453-V457 PolarHBondContact O-N 3.28Å; V454-V457 PolarHBondContact O-N 3.42Å; V457-I460 WeakPolarHBondContact O-CB 3.38Å; V457-I460 PolarHBondContact O-N 3.03Å; V457-F461 HydrophobicContact CB-CE2 4.49Å; V457-F461 HydrophobicContact CG1-CD2 3.55Å; V457-F461 HydrophobicContact CG1-CE2 3.19Å; V457-F461 HydrophobicContact CG1-CZ 4.22Å; V457-F461 WeakPolarHBondContact O-CD2 3.24Å; V457-F461 WeakPolarHBondContact O-CG 3.47Å; V457-F461 PolarHBondContact O-N 3.04Å; V457-F461 VanDerWaalsContact O-N 3.1Å
458E62.1Low51.1Low41 Ų4183.3 Ų83.319%0.19243%0.431CS..Hα-helixtrans-68.1-38.4173.8-72.2-163.4153.200111.8N154 V454 I460 F461 S462N154-E458 WeakPolarHBondContact CB-OE1 3.35Å; V454-E458 HydrophobicContact CG1-CG 4.45Å; V454-E458 WeakPolarHBondContact O-CB 3.11Å; V454-E458 WeakPolarHBondContact O-CG 3.36Å; V454-E458 PolarHBondContact O-N 3.18Å; E458-I460 VanDerWaalsContact C-N 3.31Å; E458-I460 PolarHBondContact O-N 3.44Å; E458-F461 CarbonylContact O-C 3.34Å; E458-F461 WeakPolarHBondContact O-CA 3.44Å; E458-F461 PolarHBondContact O-N 3.48Å; E458-S462 WeakPolarHBondContact O-CA 3.38Å; E458-S462 WeakPolarHBondContact O-CB 3.43Å; E458-S462 PolarHBondContact O-N 3.06Å; E458-S462 PolarHBondContact O-OG 2.9Å
459K58.8Low51.8Low147 Ų14777.9 Ų77.964%0.63941%0.408SS*.Hα-helixtrans-59.5-43.2171.1-80.2170-176.9173.10111.3D455 E456 F461 S462 E463D455-K459 VanDerWaalsContact O-CB 3.29Å; D455-K459 WeakPolarHBondContact O-CB 3.49Å; D455-K459 WeakPolarHBondContact O-CG 2.88Å; D455-K459 PolarHBondContact O-N 3.43Å; E456-K459 PolarHBondContact O-N 2.72Å; K459-F461 PolarHBondContact O-N 3.26Å; K459-S462 PolarHBondContact O-N 3.01Å; K459-E463 PolarHBondContact O-N 3.36Å
460I57.4Low52.7Low34 Ų3478.4 Ų78.417%0.17440%0.403CS..Hα-helixtrans-58.9-27.6173.2-67.3162.6000111.6E456 V457 E458E456-I460 HydrophobicContact CG-CD1 4.46Å; E456-I460 WeakPolarHBondContact O-CD1 3.42Å; E456-I460 WeakPolarHBondContact O-CG1 3.49Å; E456-I460 PolarHBondContact O-N 2.94Å; V457-I460 WeakPolarHBondContact O-CB 3.38Å; V457-I460 PolarHBondContact O-N 3.03Å; E458-I460 VanDerWaalsContact C-N 3.31Å; E458-I460 PolarHBondContact O-N 3.44Å
461F52.8Low53.6Low30 Ų3075.1 Ų75.113%0.13237%0.374CS..Hα-helixtrans-109.6-7.7-176.6-61.5-43.4000116.4R49 V52 V457 E458 K459R49-F461 HydrophobicContact CB-CE1 4.43Å; R49-F461 HydrophobicContact CB-CZ 4.13Å; R49-F461 HydrophobicContact CG-CD1 4.05Å; R49-F461 HydrophobicContact CG-CE1 3.38Å; R49-F461 HydrophobicContact CG-CE2 3.9Å; R49-F461 HydrophobicContact CG-CZ 3.34Å; V52-F461 HydrophobicContact CB-CZ 4.38Å; V52-F461 HydrophobicContact CG1-CZ 4.39Å; V457-F461 HydrophobicContact CB-CE2 4.49Å; V457-F461 HydrophobicContact CG1-CD2 3.55Å; V457-F461 HydrophobicContact CG1-CE2 3.19Å; V457-F461 HydrophobicContact CG1-CZ 4.22Å; V457-F461 WeakPolarHBondContact O-CD2 3.24Å; V457-F461 WeakPolarHBondContact O-CG 3.47Å; V457-F461 PolarHBondContact O-N 3.04Å; V457-F461 VanDerWaalsContact O-N 3.1Å; E458-F461 CarbonylContact O-C 3.34Å; E458-F461 WeakPolarHBondContact O-CA 3.44Å; E458-F461 PolarHBondContact O-N 3.48Å; K459-F461 PolarHBondContact O-N 3.26Å
462S42Very low54.2Low82 Ų8278.5 Ų78.557%0.57339%0.386SS*.Hα-helixtrans-112-11.8-173.9-64.20000112.9E458 K459 H464E458-S462 WeakPolarHBondContact O-CA 3.38Å; E458-S462 WeakPolarHBondContact O-CB 3.43Å; E458-S462 PolarHBondContact O-N 3.06Å; E458-S462 PolarHBondContact O-OG 2.9Å; K459-S462 PolarHBondContact O-N 3.01Å; S462-H464 PolarHBondContact O-N 3.36Å
463E37.5Very low54.2Low112 Ų11273.9 Ų73.952%0.52336%0.359SS..  trans-64.2107.2155.1-70.8-178.1178.100106.9K459K459-E463 PolarHBondContact O-N 3.36Å
464H36.7Very low53.5Low231 Ų23176.6 Ų76.6100%1.06938%0.377SS*.  trans101.40-179.3-48.780.9000116.1S462S462-H464 PolarHBondContact O-N 3.36Å

Retrieved 464 of 464 residues in 649.2 ms (Link to these results)

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