A0A077ZII2_TRITR Loading...

Isocitrate dehydrogenase [NADP]

AlphaFold DB , UniProt , Accession A0A077ZII2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 416 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
1M81.4Confident94.8Very high150 Ų15090.3 Ų90.374%0.73951%0.507SS*.  0119.30-176.9-178.3-62.500106.4Y78 V82 P85M1-Y78 HydrophobicContact CG-CD1 3.37Å; M1-Y78 HydrophobicContact CG-CE1 3.93Å; M1-Y78 HydrophobicContact CG-CG 4.24Å; M1-Y78 HydrophobicContact SD-CD1 3.28Å; M1-Y78 WeakPolarHBondContact SD-CD1 3.17Å; M1-Y78 HydrophobicContact SD-CE1 3.91Å; M1-Y78 HydrophobicContact SD-CG 3.64Å; M1-V82 HydrophobicContact CE-CB 4.02Å; M1-V82 HydrophobicContact CE-CG1 3.4Å; M1-V82 VanDerWaalsContact CE-CG1 3.4Å; M1-V82 HydrophobicContact CE-CG2 3.38Å; M1-V82 HydrophobicContact SD-CG1 3.92Å; M1-P85 HydrophobicContact SD-CB 4.33Å
2E89.9Confident95.1Very high159 Ų15993.7 Ų93.774%0.74351%0.512SS*.  trans-79.1138.7175.4-69.2-178.4167.700109.4Y78E2-Y78 WeakPolarHBondContact O-CE1 3.19Å
3S95.2Very high95.3Very high58 Ų5893.2 Ų93.241%0.40650%0.502SS..  trans-57.9138177.3-177.70000111.4V5 E87S3-V5 PolarHBondContact OG-N 3.16Å; S3-E87 WeakPolarHBondContact CB-OE1 3.46Å; S3-E87 VanDerWaalsContact OG-CD 3.23Å; S3-E87 PolarHBondContact OG-OE1 2.73Å; S3-E87 PolarHBondContact OG-OE2 3.44Å
4K97Very high95.5Very high112 Ų11286.5 Ų86.549%0.48747%0.466SS..  trans-107.8-1.3169.1-61.4-61.8-176.5-172.40112.2V77 Y78K4-V77 HydrophobicContact CB-CG1 3.52Å; K4-V77 HydrophobicContact CG-CG1 3.61Å; K4-Y78 HydrophobicContact CB-CE1 4.08Å; K4-Y78 HydrophobicContact CG-CD1 4.2Å; K4-Y78 HydrophobicContact CG-CE1 3.84Å; K4-Y78 PolarHBondContact N-OH 3.05Å
5V97.8Very high95.7Very high18 Ų1884.3 Ų84.311%0.10946%0.457CS..  trans-78136.5179.2176.60000109.7S3 M66 I68 Y69 L91S3-V5 PolarHBondContact OG-N 3.16Å; V5-M66 HydrophobicContact CG1-CE 4.21Å; V5-M66 HydrophobicContact CG1-CG 3.64Å; V5-M66 HydrophobicContact CG1-SD 3.73Å; V5-I68 HydrophobicContact CG1-CG2 4.06Å; V5-I68 HydrophobicContact CG2-CB 4.37Å; V5-I68 HydrophobicContact CG2-CG2 4.02Å; V5-Y69 HydrophobicContact CG2-CD2 4.33Å; V5-Y69 HydrophobicContact CG2-CE2 4.3Å; V5-L91 HydrophobicContact CB-CD1 4.17Å; V5-L91 HydrophobicContact CG1-CD1 3.97Å; V5-L91 HydrophobicContact CG2-CD1 3.85Å
6V97.6Very high95.8Very high118 Ų11881.6 Ų81.672%0.71544%0.442SS*.  trans-108.9110.3177.2-178.70000109.2P8V6-P8 WeakPolarHBondContact O-CD 3.37Å
7V97.6Very high95.7Very high80 Ų8084 Ų8449%0.48545%0.449SS..  trans-67.9123.3175.8-177.90000109.6A9 I28 M66 Y95V7-A9 PolarHBondContact O-N 3.42Å; V7-I28 HydrophobicContact CG1-CD1 3.97Å; V7-M66 HydrophobicContact CB-SD 4.39Å; V7-M66 HydrophobicContact CG2-SD 4.03Å; V7-Y95 WeakPolarHBondContact CG1-OH 3.35Å
8P97.4Very high95.5Very high28 Ų2888.9 Ų88.918%0.18248%0.475CS..  trans-62.1126.6-179.9-25.134.9000112.5V6 Q10 G11 I28 W65 M66V6-P8 WeakPolarHBondContact O-CD 3.37Å; P8-Q10 PolarHBondContact O-N 3.32Å; P8-Q10 VanDerWaalsContact O-N 3.16Å; P8-G11 PolarHBondContact O-N 3.36Å; P8-I28 HydrophobicContact CG-CG2 4.43Å; P8-W65 WeakPolarHBondContact CG-O 3.44Å; P8-M66 HydrophobicContact CG-CB 4.03Å
9A96.2Very high95.1Very high100 Ų10088.2 Ų88.283%0.82649%0.491SS*.THydrogen-bonded Turntrans-63.5-23.7-176.300000114.5V7V7-A9 PolarHBondContact O-N 3.42Å
10Q95.1Very high94.9Very high154 Ų15491.8 Ų91.872%0.7250%0.502SS*.THydrogen-bonded Turntrans-97.3-6.8-174.1-59.3-58.7-28.600113.8P8 N26P8-Q10 PolarHBondContact O-N 3.32Å; P8-Q10 VanDerWaalsContact O-N 3.16Å; Q10-N26 PolarHBondContact O-ND2 3.25Å
11G97.3Very high95Very high16 Ų1689.3 Ų89.317%0.16549%0.488CS..  trans-97.3160.9-171.900000113.9P8 N26 S64P8-G11 PolarHBondContact O-N 3.36Å; G11-N26 CarbonylContact C-O 3.46Å; G11-N26 VanDerWaalsContact CA-O 3.28Å; G11-N26 WeakPolarHBondContact CA-O 3.37Å; G11-S64 WeakPolarHBondContact CA-OG 3.45Å
12K98.4Very high95.8Very high131 Ų13186.6 Ų86.657%0.5748%0.476SS*.BIsolated β-bridgetrans-121.5147.4172.7-71.6-179.8-177.3172.30110.8P24 N26 P27 I28K12-P24 HydrophobicContact CB-CB 4.05Å; K12-P24 HydrophobicContact CB-CG 3.73Å; K12-P24 HydrophobicContact CD-CB 4.44Å; K12-N26 PolarHBondContact N-O 2.89Å; K12-P27 CarbonylContact O-C 3.52Å; K12-P27 WeakPolarHBondContact O-CA 3.28Å; K12-I28 PolarHBondContact O-N 2.83Å
13K98.3Very high96.2Very high87 Ų8780.3 Ų80.338%0.37845%0.448SS..  trans-72140.4178.9-166.7-170.8-70.5179.20111.1E94 Y95K13-E94 HydrophobicContact CD-CG 3.93Å; K13-E94 WeakPolarHBondContact CD-O 3.38Å; K13-E94 VanDerWaalsContact CE-CG 3.46Å; K13-E94 WeakPolarHBondContact CE-OE1 3.25Å; K13-E94 VanDerWaalsContact NZ-CG 3.29Å; K13-E94 IonicContact NZ-OE1 3.64Å; K13-E94 PolarHBondContact NZ-OE1 3.32Å; K13-Y95 HydrophobicContact CB-CD1 4.43Å; K13-Y95 HydrophobicContact CB-CE1 4.37Å; K13-Y95 HydrophobicContact CG-CD1 3.94Å; K13-Y95 HydrophobicContact CG-CE1 4.19Å; K13-Y95 HydrophobicContact CG-CG 4.39Å
14I98.6Very high96.3Very high0 Ų078.8 Ų78.80%044%0.437CS..  trans-71.2138.2166.4-63.1173000108.7L21 V23 P27 I29 R96 V97 M367I14-L21 HydrophobicContact CG2-CB 4.28Å; I14-L21 HydrophobicContact CG2-CD2 3.84Å; I14-L21 HydrophobicContact CG2-CG 4.48Å; I14-V23 HydrophobicContact CD1-CG1 4.19Å; I14-V23 HydrophobicContact CD1-CG2 4.27Å; I14-V23 HydrophobicContact CG1-CG1 4.22Å; I14-V23 HydrophobicContact CG1-CG2 4.37Å; I14-V23 HydrophobicContact CG2-CG2 4.07Å; I14-P27 HydrophobicContact CD1-CB 4.11Å; I14-P27 HydrophobicContact CG1-CB 3.97Å; I14-I29 HydrophobicContact CD1-CD1 3.69Å; I14-R96 HydrophobicContact CB-CB 4.2Å; I14-R96 HydrophobicContact CB-CG 4.24Å; I14-R96 HydrophobicContact CG2-CB 3.96Å; I14-R96 HydrophobicContact CG2-CG 4.08Å; I14-R96 WeakPolarHBondContact O-CG 3.4Å; I14-V97 HydrophobicContact CD1-CB 4.04Å; I14-V97 HydrophobicContact CD1-CG2 4.04Å; I14-M367 HydrophobicContact CD1-CE 4.5Å
15T98.3Very high96.4Very high53 Ų5378.7 Ų78.733%0.32544%0.438SS..EExtended strand (participates in β ladder)trans-117.3154.5176.158.10000111L21 N22T15-L21 CarbonylContact O-C 3.55Å; T15-L21 WeakPolarHBondContact O-CA 3.33Å; T15-N22 PolarHBondContact N-O 3.31Å; T15-N22 VanDerWaalsContact N-O 3.15Å; T15-N22 PolarHBondContact O-N 3.39Å
16L97Very high96.4Very high41 Ų4180 Ų8022%0.21545%0.445CS..EExtended strand (participates in β ladder)trans-114.9124.9177.2179.967000108.5L21 D330L16-L21 HydrophobicContact CB-CD2 4.35Å; L16-L21 HydrophobicContact CD1-CD2 3.96Å; L16-L21 HydrophobicContact CD1-CG 4.47Å; L16-D330 WeakPolarHBondContact CD2-O 3.25Å
17Q94.1Very high96.5Very high123 Ų12374.4 Ų74.458%0.57541%0.411SS*.EExtended strand (participates in β ladder)trans-137.9124.9176.6-63.7179.215.300109G19 K20Q17-G19 VanDerWaalsContact C-N 3.3Å; Q17-G19 PolarHBondContact O-N 3.04Å; Q17-K20 PolarHBondContact N-O 2.91Å; Q17-K20 PolarHBondContact O-N 3.43Å
18N92Very high96.6Very high172 Ų17270.9 Ų70.992%0.9239%0.389SS*.THydrogen-bonded Turntrans52.943.1-179.6-52.5-34.4000113.5K20N18-K20 PolarHBondContact O-N 3.21Å
19G88.6Confident96.6Very high75 Ų7569.5 Ų69.577%0.77338%0.381SS*.THydrogen-bonded Turntrans72.21.7-178.700000115.2Q17Q17-G19 VanDerWaalsContact C-N 3.3Å; Q17-G19 PolarHBondContact O-N 3.04Å
20K91.2Very high96.7Very high161 Ų16164.8 Ų64.870%0.734%0.341SS*.EExtended strand (participates in β ladder)trans-110.5129.4179.1-171.7175.9179.6177.90111.3Q17 N18Q17-K20 PolarHBondContact N-O 2.91Å; Q17-K20 PolarHBondContact O-N 3.43Å; N18-K20 PolarHBondContact O-N 3.21Å
21L96.2Very high96.9Very high40 Ų4059.1 Ų59.121%0.20931%0.314CS..EExtended strand (participates in β ladder)trans-69.7134.2171.8-66.2177000110.7I14 T15 L16 V23 R96 V97 H366I14-L21 HydrophobicContact CG2-CB 4.28Å; I14-L21 HydrophobicContact CG2-CD2 3.84Å; I14-L21 HydrophobicContact CG2-CG 4.48Å; T15-L21 CarbonylContact O-C 3.55Å; T15-L21 WeakPolarHBondContact O-CA 3.33Å; L16-L21 HydrophobicContact CB-CD2 4.35Å; L16-L21 HydrophobicContact CD1-CD2 3.96Å; L16-L21 HydrophobicContact CD1-CG 4.47Å; L21-V23 HydrophobicContact CB-CG2 4.03Å; L21-R96 HydrophobicContact CD2-CB 4Å; L21-R96 HydrophobicContact CD2-CG 4.38Å; L21-V97 HydrophobicContact CD1-CG2 3.91Å; L21-H366 WeakPolarHBondContact CD1-NE2 3.34Å
22N97.8Very high97Very high92 Ų9258.6 Ų58.649%0.49231%0.307SS..EExtended strand (participates in β ladder)trans-106.3101166.4-178.1-1.1000108.1T15T15-N22 PolarHBondContact N-O 3.31Å; T15-N22 VanDerWaalsContact N-O 3.15Å; T15-N22 PolarHBondContact O-N 3.39Å
23V98.4Very high97Very high27 Ų2754.3 Ų54.316%0.16429%0.289CS..  trans-99.8113.2-174.6-175.60000108.9I14 L21 P27 M367 W369I14-V23 HydrophobicContact CD1-CG1 4.19Å; I14-V23 HydrophobicContact CD1-CG2 4.27Å; I14-V23 HydrophobicContact CG1-CG1 4.22Å; I14-V23 HydrophobicContact CG1-CG2 4.37Å; I14-V23 HydrophobicContact CG2-CG2 4.07Å; L21-V23 HydrophobicContact CB-CG2 4.03Å; V23-P27 HydrophobicContact CG1-CB 4.17Å; V23-P27 HydrophobicContact CG1-CG 4.29Å; V23-M367 HydrophobicContact CG1-CB 4.28Å; V23-M367 HydrophobicContact CG1-CE 3.74Å; V23-M367 HydrophobicContact CG2-CB 4.18Å; V23-M367 HydrophobicContact CG2-CG 4.45Å; V23-W369 HydrophobicContact CG1-CZ2 4.08Å
24P98.3Very high97Very high27 Ų2750.3 Ų50.318%0.17527%0.273CS..  trans-69.7167.9175.532-35.6000111K12 N26 P27 W369K12-P24 HydrophobicContact CB-CB 4.05Å; K12-P24 HydrophobicContact CB-CG 3.73Å; K12-P24 HydrophobicContact CD-CB 4.44Å; P24-N26 PolarHBondContact O-N 3.26Å; P24-P27 HydrophobicContact CG-CB 4.24Å; P24-P27 WeakPolarHBondContact O-CD 3.26Å; P24-W369 WeakPolarHBondContact O-CZ2 3.47Å
25E98.4Very high96.9Very high109 Ų10950.6 Ų50.651%0.50927%0.274SS..SBendtrans-67.1-22.9178-6617415800113.3P27 R61 K62E25-P27 WeakPolarHBondContact O-CD 3.34Å; E25-R61 HydrophobicContact CB-CG 4.07Å; E25-R61 HydrophobicContact CG-CG 4.16Å; E25-R61 CarbonylContact O-C 3.54Å; E25-R61 VanDerWaalsContact O-CA 3.24Å; E25-R61 WeakPolarHBondContact O-CA 3.32Å; E25-K62 PolarHBondContact O-N 2.88Å
26N98.5Very high96.9Very high47 Ų4748.8 Ų48.825%0.25127%0.266SS..SBendtrans-119.255.9-179.261.8-27.5000112.9Q10 G11 K12 P24 K62Q10-N26 PolarHBondContact O-ND2 3.25Å; G11-N26 CarbonylContact C-O 3.46Å; G11-N26 VanDerWaalsContact CA-O 3.28Å; G11-N26 WeakPolarHBondContact CA-O 3.37Å; K12-N26 PolarHBondContact N-O 2.89Å; P24-N26 PolarHBondContact O-N 3.26Å; N26-K62 VanDerWaalsContact CA-O 3.26Å; N26-K62 WeakPolarHBondContact CA-O 3.46Å
27P98.7Very high97Very high0 Ų047.2 Ų47.20%026%0.258CS..BIsolated β-bridgetrans-68.7141.2-171.231.6-33.6000111.3K12 I14 V23 P24 E25 I29 I63 S64 M367 W369K12-P27 CarbonylContact O-C 3.52Å; K12-P27 WeakPolarHBondContact O-CA 3.28Å; I14-P27 HydrophobicContact CD1-CB 4.11Å; I14-P27 HydrophobicContact CG1-CB 3.97Å; V23-P27 HydrophobicContact CG1-CB 4.17Å; V23-P27 HydrophobicContact CG1-CG 4.29Å; P24-P27 HydrophobicContact CG-CB 4.24Å; P24-P27 WeakPolarHBondContact O-CD 3.26Å; E25-P27 WeakPolarHBondContact O-CD 3.34Å; P27-I29 HydrophobicContact CB-CD1 4.26Å; P27-I63 HydrophobicContact CG-CG1 4.24Å; P27-S64 PolarHBondContact O-N 3.42Å; P27-M367 HydrophobicContact CB-CE 4.24Å; P27-M367 HydrophobicContact CG-CE 3.65Å; P27-W369 VanDerWaalsContact CD-CH2 3.41Å; P27-W369 HydrophobicContact CG-CH2 3.49Å; P27-W369 VanDerWaalsContact CG-CH2 3.49Å; P27-W369 HydrophobicContact CG-CZ2 3.71Å; P27-W369 HydrophobicContact CG-CZ3 4.37Å
28I98.9Very high97.2Very high5 Ų541.3 Ų41.33%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-82.9122.7165.9-62.9168.7000108.3V7 P8 K12 S64 M66 Y95V7-I28 HydrophobicContact CG1-CD1 3.97Å; P8-I28 HydrophobicContact CG-CG2 4.43Å; K12-I28 PolarHBondContact O-N 2.83Å; I28-S64 VanDerWaalsContact CA-O 3.29Å; I28-S64 WeakPolarHBondContact CA-O 3.18Å; I28-M66 HydrophobicContact CG2-CB 3.82Å; I28-M66 HydrophobicContact CG2-CE 4.33Å; I28-M66 HydrophobicContact CG2-SD 4.07Å; I28-Y95 HydrophobicContact CB-CD1 3.65Å; I28-Y95 HydrophobicContact CB-CE1 3.54Å; I28-Y95 HydrophobicContact CD1-CE1 3.76Å; I28-Y95 HydrophobicContact CG1-CE1 4.22Å; I28-Y95 HydrophobicContact CG2-CD1 3.55Å; I28-Y95 HydrophobicContact CG2-CE1 3.38Å
29I98.9Very high97.5Very high0 Ų036.1 Ų36.10%021%0.205CC..EExtended strand (participates in β ladder)trans-118.1111.9178.2-57.5-62.4000108.5I14 P27 I63 S64 W65 M66 V97 M363 M367I14-I29 HydrophobicContact CD1-CD1 3.69Å; P27-I29 HydrophobicContact CB-CD1 4.26Å; I29-I63 HydrophobicContact CB-CG2 3.79Å; I29-I63 HydrophobicContact CG1-CG1 4.48Å; I29-I63 HydrophobicContact CG1-CG2 3.57Å; I29-S64 PolarHBondContact N-O 3.45Å; I29-S64 VanDerWaalsContact N-O 3.14Å; I29-W65 HydrophobicContact CB-CE3 3.94Å; I29-W65 HydrophobicContact CB-CZ3 3.91Å; I29-W65 HydrophobicContact CG2-CE3 3.98Å; I29-W65 HydrophobicContact CG2-CH2 4.48Å; I29-W65 HydrophobicContact CG2-CZ3 3.54Å; I29-M66 PolarHBondContact O-N 2.99Å; I29-V97 HydrophobicContact CD1-CB 4.19Å; I29-V97 HydrophobicContact CD1-CG1 4.21Å; I29-M363 HydrophobicContact CG2-CE 4.34Å; I29-M363 HydrophobicContact CG2-SD 3.77Å; I29-M367 HydrophobicContact CD1-CE 4.01Å; I29-M367 HydrophobicContact CD1-SD 3.89Å
30P98.9Very high98Very high0 Ų033.3 Ų33.30%017%0.172CC..EExtended strand (participates in β ladder)trans-63.8137.6170.3-14.126.2000111.1M66 I68 Y95 V97 A98 I99P30-M66 CarbonylContact C-O 3.6Å; P30-M66 WeakPolarHBondContact CA-O 3.25Å; P30-M66 HydrophobicContact CB-CE 4.1Å; P30-M66 HydrophobicContact CG-CE 3.86Å; P30-I68 HydrophobicContact CB-CD1 3.7Å; P30-I68 HydrophobicContact CB-CG1 4.19Å; P30-I68 HydrophobicContact CB-CG2 4.04Å; P30-Y95 VanDerWaalsContact CG-CB 3.5Å; P30-Y95 HydrophobicContact CG-CD2 4.31Å; P30-Y95 HydrophobicContact CG-CG 3.94Å; P30-V97 VanDerWaalsContact CD-O 3.25Å; P30-V97 WeakPolarHBondContact CD-O 3.33Å; P30-A98 HydrophobicContact CB-CB 4.07Å; P30-A98 HydrophobicContact CG-CB 4.33Å; P30-A98 VanDerWaalsContact O-CA 3.25Å; P30-A98 WeakPolarHBondContact O-CA 3.24Å; P30-A98 WeakPolarHBondContact O-CB 3.44Å; P30-I99 PolarHBondContact O-N 2.51Å; P30-I99 VanDerWaalsContact O-N 3.11Å
31Y98.9Very high98.3Very high36 Ų3625.6 Ų25.614%0.14114%0.139CC..EExtended strand (participates in β ladder)trans-133.9147.5172.779.1-82.1000112.3T42 L46 W65 M66 E67 I68 I99Y31-T42 HydrophobicContact CD2-CG2 3.85Å; Y31-T42 HydrophobicContact CE2-CG2 3.98Å; Y31-L46 HydrophobicContact CE2-CD1 4.25Å; Y31-W65 HydrophobicContact CD1-CB 3.97Å; Y31-W65 HydrophobicContact CD1-CE3 4.31Å; Y31-W65 HydrophobicContact CE1-CB 3.91Å; Y31-M66 WeakPolarHBondContact CD1-O 3.4Å; Y31-M66 PolarHBondContact N-O 2.9Å; Y31-E67 HydrophobicContact CD1-CB 4.44Å; Y31-E67 VanDerWaalsContact CE1-CA 3.49Å; Y31-E67 HydrophobicContact CE1-CB 3.69Å; Y31-E67 HydrophobicContact CE1-CG 4.26Å; Y31-E67 HydrophobicContact CE2-CB 4.29Å; Y31-E67 HydrophobicContact CE2-CG 3.95Å; Y31-E67 WeakPolarHBondContact O-CA 3.11Å; Y31-I68 PolarHBondContact O-N 2.56Å; Y31-I99 CarbonylContact C-O 3.5Å; Y31-I99 WeakPolarHBondContact CA-O 3.47Å
32I98.8Very high98.5Very high4 Ų423.8 Ų23.82%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-112.2120.8172.5-60.9162.3000107.8G34 I68 T88 I99 K100 G101 L103I32-G34 PolarHBondContact O-N 2.56Å; I32-I68 HydrophobicContact CD1-CD1 4.4Å; I32-I68 HydrophobicContact CD1-CG1 4.32Å; I32-I68 HydrophobicContact CG1-CD1 4.15Å; I32-I68 HydrophobicContact CG1-CG1 3.58Å; I32-T88 HydrophobicContact CD1-CG2 4.12Å; I32-I99 PolarHBondContact N-O 2.73Å; I32-K100 HydrophobicContact CB-CB 3.77Å; I32-K100 HydrophobicContact CD1-CB 4.09Å; I32-K100 HydrophobicContact CG1-CB 4.38Å; I32-K100 HydrophobicContact CG2-CB 4.47Å; I32-K100 CarbonylContact O-C 3.42Å; I32-K100 WeakPolarHBondContact O-CA 3.47Å; I32-G101 PolarHBondContact O-N 3.18Å; I32-L103 HydrophobicContact CG2-CD2 4.11Å
33E98.8Very high98.5Very high41 Ų4122.5 Ų22.519%0.19213%0.126CC..  trans-56.3-38179.8-177.3178-99.800112.9G38 T42 K73E33-G38 CarbonylContact O-C 3.56Å; E33-G38 WeakPolarHBondContact O-CA 3.48Å; E33-T42 PolarHBondContact O-OG1 3.41Å; E33-K73 HydrophobicContact CB-CD 4.43Å; E33-K73 IonicContact OE1-NZ 2.65Å; E33-K73 PolarHBondContact OE1-NZ 2.96Å; E33-K73 VanDerWaalsContact OE1-NZ 3.15Å; E33-K73 WeakPolarHBondContact OE2-CD 3.46Å; E33-K73 IonicContact OE2-NZ 3.95Å; E33-K73 PolarHBondContact OE2-NZ 3.32Å
34G98Very high98.5Very high4 Ų421.6 Ų21.64%0.04112%0.121CC..  trans86165.5-174.700000112.8I32 P102I32-G34 PolarHBondContact O-N 2.56Å; G34-P102 CarbonylContact C-O 3.59Å; G34-P102 WeakPolarHBondContact CA-O 3.2Å
35D97.3Very high98.6Very high5 Ų520.4 Ų20.43%0.02711%0.113CC..SBendtrans-88.6163.6-179.3-54.6-36.7000111.2I37 G38 E72 P102 T104 T341D35-I37 PolarHBondContact O-N 2.96Å; D35-I37 VanDerWaalsContact O-N 3.17Å; D35-G38 PolarHBondContact O-N 3.01Å; D35-G38 VanDerWaalsContact O-N 3.1Å; D35-E72 HydrophobicContact CB-CB 4.49Å; D35-E72 VanDerWaalsContact OD1-CB 3.28Å; D35-E72 WeakPolarHBondContact OD1-CB 3.12Å; D35-E72 PolarHBondContact OD1-N 2.91Å; D35-E72 PolarHBondContact OD2-N 3.25Å; D35-P102 PolarHBondContact N-O 3.15Å; D35-T104 WeakPolarHBondContact CB-OG1 3.4Å; D35-T104 WeakPolarHBondContact OD2-CB 3.44Å; D35-T104 PolarHBondContact OD2-N 2.91Å; D35-T104 PolarHBondContact OD2-OG1 3.14Å; D35-T341 HydrophobicContact CB-CG2 3.87Å
36G97.5Very high98.6Very high16 Ų1616.5 Ų16.517%0.16510%0.096CC..THydrogen-bonded Turntrans56.4-119.4177.800000112.1G38 V39 T341 A346G36-G38 PolarHBondContact O-N 2.83Å; G36-V39 WeakPolarHBondContact O-CG2 3.42Å; G36-T341 WeakPolarHBondContact CA-O 3.31Å; G36-A346 VanDerWaalsContact C-CB 3.47Å; G36-A346 WeakPolarHBondContact O-CB 3.27Å
37I98.4Very high98.6Very high7 Ų719.2 Ų19.24%0.03611%0.105CC..THydrogen-bonded Turntrans-67-2.5-179.765.2170.9000114.6D35 V39 D40 V41 P102 H339 T341 A342 V351D35-I37 PolarHBondContact O-N 2.96Å; D35-I37 VanDerWaalsContact O-N 3.17Å; I37-V39 PolarHBondContact O-N 3.15Å; I37-D40 WeakPolarHBondContact O-CB 3.38Å; I37-D40 PolarHBondContact O-N 2.83Å; I37-V41 PolarHBondContact O-N 2.93Å; I37-V41 VanDerWaalsContact O-N 3.1Å; I37-P102 HydrophobicContact CG1-CG 4.11Å; I37-H339 VanDerWaalsContact CD1-CE1 3.46Å; I37-H339 WeakPolarHBondContact CD1-CE1 3.25Å; I37-T341 WeakPolarHBondContact CG1-O 3.49Å; I37-T341 WeakPolarHBondContact CG2-O 3.36Å; I37-T341 PolarHBondContact N-O 2.97Å; I37-A342 HydrophobicContact CD1-CB 4.08Å; I37-A342 HydrophobicContact CG1-CB 4.46Å; I37-A342 HydrophobicContact CG2-CB 3.96Å; I37-A342 WeakPolarHBondContact CG2-O 3.4Å; I37-V351 HydrophobicContact CB-CG2 3.85Å; I37-V351 HydrophobicContact CD1-CB 4.24Å; I37-V351 HydrophobicContact CD1-CG1 4.19Å; I37-V351 HydrophobicContact CD1-CG2 3.95Å; I37-V351 HydrophobicContact CG1-CG2 4.42Å; I37-V351 HydrophobicContact CG2-CG1 3.93Å; I37-V351 HydrophobicContact CG2-CG2 4.12Å
38G98.5Very high98.6Very high0 Ų019.2 Ų19.20%011%0.105CC..Hα-helixtrans-51.2-37.4170.400000113E33 D35 G36 D40 V41 T42E33-G38 CarbonylContact O-C 3.56Å; E33-G38 WeakPolarHBondContact O-CA 3.48Å; D35-G38 PolarHBondContact O-N 3.01Å; D35-G38 VanDerWaalsContact O-N 3.1Å; G36-G38 PolarHBondContact O-N 2.83Å; G38-D40 PolarHBondContact O-N 2.8Å; G38-V41 PolarHBondContact O-N 3.22Å; G38-T42 VanDerWaalsContact O-CB 3.23Å; G38-T42 WeakPolarHBondContact O-CB 3.2Å; G38-T42 PolarHBondContact O-N 3.39Å; G38-T42 PolarHBondContact O-OG1 3.06Å
39V98.6Very high98.6Very high63 Ų6319 Ų1938%0.38210%0.104SC..Hα-helixtrans-64-23.5176.3-55.60000113.8G36 I37 P43G36-V39 WeakPolarHBondContact O-CG2 3.42Å; I37-V39 PolarHBondContact O-N 3.15Å; V39-P43 WeakPolarHBondContact O-CD 3.39Å; V39-P43 WeakPolarHBondContact O-CG 3.29Å
40D98.8Very high98.6Very high15 Ų1521.9 Ų21.98%0.0812%0.119CC..Hα-helixtrans-91.5-45.3179.3-58.3-75.3000111.2I37 G38 G347 Q348 D349 V351 C405I37-D40 WeakPolarHBondContact O-CB 3.38Å; I37-D40 PolarHBondContact O-N 2.83Å; G38-D40 PolarHBondContact O-N 2.8Å; D40-G347 VanDerWaalsContact OD1-C 3.32Å; D40-G347 VanDerWaalsContact OD1-CA 3.22Å; D40-G347 WeakPolarHBondContact OD1-CA 3.21Å; D40-G347 PolarHBondContact OD1-N 2.84Å; D40-G347 PolarHBondContact OD2-N 3.34Å; D40-Q348 PolarHBondContact OD1-N 2.79Å; D40-D349 WeakPolarHBondContact OD1-CA 3Å; D40-D349 PolarHBondContact OD1-N 2.78Å; D40-V351 HydrophobicContact CB-CG2 4.11Å; D40-C405 PolarHBondContact O-SG 3.03Å
41V98.7Very high98.6Very high0 Ų023.1 Ų23.10%013%0.13CC..Hα-helixtrans-86-31.8-169.9-57.10000113.6I37 G38 A44 M45 V351 P353 I356I37-V41 PolarHBondContact O-N 2.93Å; I37-V41 VanDerWaalsContact O-N 3.1Å; G38-V41 PolarHBondContact O-N 3.22Å; V41-A44 PolarHBondContact O-N 2.94Å; V41-M45 PolarHBondContact O-N 3.18Å; V41-V351 HydrophobicContact CG1-CG2 3.56Å; V41-P353 HydrophobicContact CB-CB 4.01Å; V41-P353 HydrophobicContact CG1-CB 4.14Å; V41-I356 HydrophobicContact CB-CG2 3.73Å; V41-I356 HydrophobicContact CG2-CD1 4.46Å; V41-I356 HydrophobicContact CG2-CG2 3.86Å
42T98.9Very high98.6Very high2 Ų221.4 Ų21.41%0.01212%0.123CC..Hα-helixtrans-66-48.2-178.8-66.90000111.8Y31 E33 G38 A44 M45 L46Y31-T42 HydrophobicContact CD2-CG2 3.85Å; Y31-T42 HydrophobicContact CE2-CG2 3.98Å; E33-T42 PolarHBondContact O-OG1 3.41Å; G38-T42 VanDerWaalsContact O-CB 3.23Å; G38-T42 WeakPolarHBondContact O-CB 3.2Å; G38-T42 PolarHBondContact O-N 3.39Å; G38-T42 PolarHBondContact O-OG1 3.06Å; T42-A44 VanDerWaalsContact C-N 3.28Å; T42-A44 PolarHBondContact O-N 3.48Å; T42-M45 HydrophobicContact CG2-CE 4.42Å; T42-M45 PolarHBondContact O-N 3.03Å; T42-M45 VanDerWaalsContact O-N 3.16Å; T42-L46 HydrophobicContact CG2-CD1 4.22Å; T42-L46 HydrophobicContact CG2-CG 4.35Å; T42-L46 WeakPolarHBondContact O-CG 3.48Å; T42-L46 PolarHBondContact O-N 2.65Å
43P98.8Very high98.6Very high65 Ų6521.4 Ų21.442%0.42212%0.123SC..Hα-helixtrans-60-37.4176.8-25.636.6000113.3V39 K47V39-P43 WeakPolarHBondContact O-CD 3.39Å; V39-P43 WeakPolarHBondContact O-CG 3.29Å; P43-K47 PolarHBondContact O-N 3Å; P43-K47 VanDerWaalsContact O-N 3.16Å
44A98.8Very high98.6Very high8 Ų824.4 Ų24.47%0.06614%0.138CC..Hα-helixtrans-64-43.9175.500000111.6V41 T42 K47 V48 P353V41-A44 PolarHBondContact O-N 2.94Å; T42-A44 VanDerWaalsContact C-N 3.28Å; T42-A44 PolarHBondContact O-N 3.48Å; A44-K47 PolarHBondContact O-N 3.34Å; A44-V48 VanDerWaalsContact O-CG2 3.31Å; A44-V48 WeakPolarHBondContact O-CG2 3.29Å; A44-V48 PolarHBondContact O-N 3.32Å; A44-V48 VanDerWaalsContact O-N 3.07Å; A44-P353 HydrophobicContact CB-CB 3.88Å; A44-P353 HydrophobicContact CB-CG 4.09Å
45M98.9Very high98.6Very high1 Ų129.3 Ų29.31%0.00516%0.157CC..Hα-helixtrans-59.9-50175.1175.9-86.2-63.700112.4V41 T42 K47 V48 V49 W65 I99 I356 I357 A360V41-M45 PolarHBondContact O-N 3.18Å; T42-M45 HydrophobicContact CG2-CE 4.42Å; T42-M45 PolarHBondContact O-N 3.03Å; T42-M45 VanDerWaalsContact O-N 3.16Å; M45-K47 VanDerWaalsContact C-N 3.26Å; M45-K47 PolarHBondContact O-N 3.44Å; M45-V48 PolarHBondContact O-N 2.84Å; M45-V49 HydrophobicContact CG-CG2 4.06Å; M45-V49 WeakPolarHBondContact O-CB 3.32Å; M45-V49 VanDerWaalsContact O-CG2 3.27Å; M45-V49 WeakPolarHBondContact O-CG2 3.33Å; M45-V49 PolarHBondContact O-N 3.5Å; M45-V49 HydrophobicContact SD-CG2 3.82Å; M45-W65 HydrophobicContact SD-CH2 4.23Å; M45-I99 HydrophobicContact CE-CD1 3.98Å; M45-I99 HydrophobicContact CE-CG1 4.35Å; M45-I99 HydrophobicContact CE-CG2 3.85Å; M45-I99 HydrophobicContact SD-CD1 4.19Å; M45-I356 HydrophobicContact CB-CG1 4.1Å; M45-I356 HydrophobicContact CB-CG2 3.93Å; M45-I356 HydrophobicContact CE-CD1 4.19Å; M45-I356 HydrophobicContact CE-CG1 4.17Å; M45-I356 HydrophobicContact CG-CG1 4.01Å; M45-I357 HydrophobicContact CB-CG1 4.01Å; M45-I357 HydrophobicContact CG-CG1 4.39Å; M45-A360 HydrophobicContact CG-CB 3.77Å; M45-A360 HydrophobicContact SD-CB 3.93Å
46L98.9Very high98.7Very high28 Ų2830.5 Ų30.515%0.14717%0.168CC..Hα-helixtrans-55.5-45.3-179.6-66.3175.9000110.9Y31 T42 V49 D50 W65Y31-L46 HydrophobicContact CE2-CD1 4.25Å; T42-L46 HydrophobicContact CG2-CD1 4.22Å; T42-L46 HydrophobicContact CG2-CG 4.35Å; T42-L46 WeakPolarHBondContact O-CG 3.48Å; T42-L46 PolarHBondContact O-N 2.65Å; L46-V49 PolarHBondContact O-N 2.89Å; L46-D50 WeakPolarHBondContact O-CB 3.46Å; L46-D50 VanDerWaalsContact O-CG 3.3Å; L46-D50 PolarHBondContact O-N 3.44Å; L46-W65 HydrophobicContact CD2-CD2 3.35Å; L46-W65 VanDerWaalsContact CD2-CE2 3.44Å; L46-W65 HydrophobicContact CD2-CE3 3.62Å; L46-W65 HydrophobicContact CD2-CG 3.8Å; L46-W65 HydrophobicContact CD2-CH2 4Å; L46-W65 HydrophobicContact CD2-CZ2 3.78Å; L46-W65 HydrophobicContact CD2-CZ3 3.93Å
47K98.8Very high98.7Very high104 Ų10431 Ų3145%0.45217%0.165SC..Hα-helixtrans-64.1-44.3179.8-169.8174179.4-1770112.9P43 A44 M45 A51 E410 I413P43-K47 PolarHBondContact O-N 3Å; P43-K47 VanDerWaalsContact O-N 3.16Å; A44-K47 PolarHBondContact O-N 3.34Å; M45-K47 VanDerWaalsContact C-N 3.26Å; M45-K47 PolarHBondContact O-N 3.44Å; K47-A51 WeakPolarHBondContact O-CB 3.21Å; K47-A51 PolarHBondContact O-N 3.32Å; K47-E410 WeakPolarHBondContact CD-OE1 3.46Å; K47-E410 WeakPolarHBondContact CE-OE1 3.33Å; K47-E410 WeakPolarHBondContact CE-OE2 3.35Å; K47-E410 IonicContact NZ-OE1 3.04Å; K47-E410 PolarHBondContact NZ-OE1 2.85Å; K47-E410 IonicContact NZ-OE2 3.8Å; K47-E410 PolarHBondContact NZ-OE2 2.6Å; K47-I413 HydrophobicContact CD-CD1 4.49Å; K47-I413 HydrophobicContact CG-CD1 3.98Å
48V98.9Very high98.7Very high0 Ų039.4 Ų39.40%020%0.202CC..Hα-helixtrans-64.2-45.5178.3169.70000110.8A44 M45 A51 A52 I357 I376 G409 I412 I413 M416A44-V48 VanDerWaalsContact O-CG2 3.31Å; A44-V48 WeakPolarHBondContact O-CG2 3.29Å; A44-V48 PolarHBondContact O-N 3.32Å; A44-V48 VanDerWaalsContact O-N 3.07Å; M45-V48 PolarHBondContact O-N 2.84Å; V48-A51 PolarHBondContact O-N 3.32Å; V48-A52 WeakPolarHBondContact O-CB 3.36Å; V48-A52 PolarHBondContact O-N 3.23Å; V48-I357 HydrophobicContact CB-CD1 4.4Å; V48-I357 HydrophobicContact CB-CG1 4.44Å; V48-I357 HydrophobicContact CG1-CG2 3.89Å; V48-I357 HydrophobicContact CG2-CD1 3.97Å; V48-I376 HydrophobicContact CG1-CG1 4.29Å; V48-G409 WeakPolarHBondContact CG2-O 3.12Å; V48-I412 HydrophobicContact CG1-CG2 3.79Å; V48-I412 HydrophobicContact CG2-CB 4.44Å; V48-I412 HydrophobicContact CG2-CG2 4.47Å; V48-I413 HydrophobicContact CG2-CD1 4.27Å; V48-I413 HydrophobicContact CG2-CG1 4.14Å; V48-M416 HydrophobicContact CG1-CE 3.64Å
49V98.9Very high98.6Very high0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-65.2-46.7-179.8173.60000111.1M45 L46 A51 A52 V53 I63 W65 A360 L364 I376M45-V49 HydrophobicContact CG-CG2 4.06Å; M45-V49 WeakPolarHBondContact O-CB 3.32Å; M45-V49 VanDerWaalsContact O-CG2 3.27Å; M45-V49 WeakPolarHBondContact O-CG2 3.33Å; M45-V49 PolarHBondContact O-N 3.5Å; M45-V49 HydrophobicContact SD-CG2 3.82Å; L46-V49 PolarHBondContact O-N 2.89Å; V49-A51 VanDerWaalsContact C-N 3.31Å; V49-A51 PolarHBondContact O-N 3.22Å; V49-A52 PolarHBondContact O-N 2.59Å; V49-V53 HydrophobicContact CG1-CG2 4.34Å; V49-V53 WeakPolarHBondContact O-CG2 3.48Å; V49-V53 PolarHBondContact O-N 2.87Å; V49-I63 HydrophobicContact CG1-CD1 3.81Å; V49-W65 HydrophobicContact CB-CZ2 4.13Å; V49-W65 HydrophobicContact CG1-CH2 4.07Å; V49-W65 HydrophobicContact CG1-CZ2 3.67Å; V49-A360 HydrophobicContact CG2-CB 3.41Å; V49-A360 VanDerWaalsContact CG2-CB 3.41Å; V49-L364 HydrophobicContact CG1-CD1 4.27Å; V49-L364 HydrophobicContact CG1-CD2 4.3Å; V49-I376 HydrophobicContact CG2-CD1 4.04Å
50D98.9Very high98.5Very high60 Ų6044.8 Ų44.832%0.32123%0.232SC..Hα-helixtrans-59.5-42.7177.8-77.5-8000111.3L46 V53 E54 W65L46-D50 WeakPolarHBondContact O-CB 3.46Å; L46-D50 VanDerWaalsContact O-CG 3.3Å; L46-D50 PolarHBondContact O-N 3.44Å; D50-V53 PolarHBondContact O-N 2.85Å; D50-E54 VanDerWaalsContact O-CB 3.27Å; D50-E54 WeakPolarHBondContact O-CB 3.28Å; D50-E54 PolarHBondContact O-N 2.8Å; D50-W65 PolarHBondContact OD1-NE1 2.92Å
51A98.8Very high98.5Very high27 Ų2747.4 Ų47.422%0.22324%0.24CC..Hα-helixtrans-64.9-40.7176.700000112.8K47 V48 V49 K55 I413K47-A51 WeakPolarHBondContact O-CB 3.21Å; K47-A51 PolarHBondContact O-N 3.32Å; V48-A51 PolarHBondContact O-N 3.32Å; V49-A51 VanDerWaalsContact C-N 3.31Å; V49-A51 PolarHBondContact O-N 3.22Å; A51-K55 WeakPolarHBondContact O-CB 3.19Å; A51-K55 PolarHBondContact O-N 3.41Å; A51-I413 HydrophobicContact CB-CD1 3.84Å; A51-I413 HydrophobicContact CB-CG1 3.83Å; A51-I413 HydrophobicContact CB-CG2 3.9Å
52A98.9Very high98.5Very high0 Ų054 Ų540%027%0.269CS..Hα-helixtrans-64.8-44.817700000111.8V48 V49 K55 A56 L375 I376 M416V48-A52 WeakPolarHBondContact O-CB 3.36Å; V48-A52 PolarHBondContact O-N 3.23Å; V49-A52 PolarHBondContact O-N 2.59Å; A52-K55 PolarHBondContact O-N 2.65Å; A52-A56 VanDerWaalsContact O-CB 3.25Å; A52-A56 WeakPolarHBondContact O-CB 3.49Å; A52-A56 PolarHBondContact O-N 3.49Å; A52-L375 HydrophobicContact CB-CB 4.34Å; A52-L375 WeakPolarHBondContact O-CD1 3.25Å; A52-I376 HydrophobicContact CB-CD1 4.26Å; A52-I376 HydrophobicContact CB-CG1 3.73Å; A52-M416 HydrophobicContact CB-CE 3.92Å; A52-M416 HydrophobicContact CB-SD 3.92Å
53V98.8Very high98.5Very high3 Ų354.1 Ų54.12%0.01827%0.27CS..Hα-helixtrans-64.5-48.1178.3171.80000110.9V49 D50 K55 A56 Y57 R61 I63 L364 W369 A372V49-V53 HydrophobicContact CG1-CG2 4.34Å; V49-V53 WeakPolarHBondContact O-CG2 3.48Å; V49-V53 PolarHBondContact O-N 2.87Å; D50-V53 PolarHBondContact O-N 2.85Å; V53-K55 VanDerWaalsContact C-N 3.31Å; V53-K55 PolarHBondContact O-N 3.44Å; V53-A56 PolarHBondContact O-N 2.87Å; V53-Y57 HydrophobicContact CG1-CD2 4.08Å; V53-Y57 WeakPolarHBondContact O-CD2 3.34Å; V53-Y57 PolarHBondContact O-N 3.05Å; V53-R61 HydrophobicContact CG1-CB 4.11Å; V53-R61 WeakPolarHBondContact CG1-O 3.2Å; V53-I63 HydrophobicContact CG2-CD1 4.34Å; V53-L364 HydrophobicContact CG2-CD2 3.9Å; V53-W369 HydrophobicContact CG1-CE3 4.25Å; V53-W369 HydrophobicContact CG1-CZ3 3.7Å; V53-W369 HydrophobicContact CG2-CE3 3.96Å; V53-W369 HydrophobicContact CG2-CZ3 3.93Å; V53-A372 HydrophobicContact CG2-CB 4.14Å
54E98.7Very high98.5Very high105 Ų10552 Ų5249%0.49126%0.256SS..Hα-helixtrans-56.6-46.4177-178.966.8-15600111D50 K58 G59D50-E54 VanDerWaalsContact O-CB 3.27Å; D50-E54 WeakPolarHBondContact O-CB 3.28Å; D50-E54 PolarHBondContact O-N 2.8Å; E54-K58 VanDerWaalsContact O-CA 3.25Å; E54-K58 WeakPolarHBondContact O-CA 3.39Å; E54-K58 PolarHBondContact O-N 2.88Å; E54-G59 PolarHBondContact O-N 2.78Å; E54-G59 WeakPolarHBondContact OE1-CA 3.36Å; E54-G59 WeakPolarHBondContact OE2-CA 3.18Å
55K98.6Very high98.5Very high106 Ų10653.6 Ų53.646%0.46126%0.261SS..Hα-helixtrans-69.4-43.7-178.6-177.3168.5176.3168.10113A51 A52 V53 L375 M416A51-K55 WeakPolarHBondContact O-CB 3.19Å; A51-K55 PolarHBondContact O-N 3.41Å; A52-K55 PolarHBondContact O-N 2.65Å; V53-K55 VanDerWaalsContact C-N 3.31Å; V53-K55 PolarHBondContact O-N 3.44Å; K55-L375 HydrophobicContact CB-CD1 3.95Å; K55-L375 HydrophobicContact CD-CD1 4.16Å; K55-L375 HydrophobicContact CG-CD1 3.87Å; K55-M416 HydrophobicContact CD-CB 3.97Å; K55-M416 PolarHBondContact NZ-O 3.42Å
56A98.5Very high98.5Very high30 Ų3053.6 Ų53.625%0.24826%0.261CS..Hα-helixtrans-65.6-41.4-179.500000112A52 V53 E371 A372 L375A52-A56 VanDerWaalsContact O-CB 3.25Å; A52-A56 WeakPolarHBondContact O-CB 3.49Å; A52-A56 PolarHBondContact O-N 3.49Å; V53-A56 PolarHBondContact O-N 2.87Å; A56-E371 HydrophobicContact CB-CB 4.22Å; A56-A372 HydrophobicContact CB-CB 3.89Å; A56-L375 HydrophobicContact CB-CD1 3.84Å
57Y98.5Very high98.5Very high28 Ų2854.2 Ų54.211%0.1126%0.263CS..Hα-helixtrans-111.58.8-170.1-54.2-62.5000114V53 G59 E60 R61 W369 E371 A372V53-Y57 HydrophobicContact CG1-CD2 4.08Å; V53-Y57 WeakPolarHBondContact O-CD2 3.34Å; V53-Y57 PolarHBondContact O-N 3.05Å; Y57-G59 PolarHBondContact O-N 2.88Å; Y57-E60 WeakPolarHBondContact O-CB 3.4Å; Y57-E60 WeakPolarHBondContact O-CG 3.25Å; Y57-E60 PolarHBondContact O-N 3.29Å; Y57-R61 HydrophobicContact CD2-CB 3.88Å; Y57-R61 HydrophobicContact CD2-CG 4.13Å; Y57-R61 HydrophobicContact CG-CB 4.07Å; Y57-R61 HydrophobicContact CG-CG 3.96Å; Y57-W369 HydrophobicContact CE2-CB 4.16Å; Y57-W369 HydrophobicContact CE2-CD2 4.23Å; Y57-W369 HydrophobicContact CE2-CE3 4.13Å; Y57-W369 HydrophobicContact CE2-CG 4.27Å; Y57-W369 WeakPolarHBondContact OH-CA 3.34Å; Y57-W369 WeakPolarHBondContact OH-CB 3.35Å; Y57-W369 PolarHBondContact OH-O 3.11Å; Y57-E371 HydrophobicContact CE1-CB 4.39Å; Y57-E371 WeakPolarHBondContact CE1-OE2 3.48Å; Y57-E371 PolarHBondContact OH-OE2 2.7Å; Y57-A372 HydrophobicContact CE2-CB 3.72Å
58K98Very high98.5Very high183 Ų18349.3 Ų49.380%0.79624%0.241SC*.THydrogen-bonded Turntrans53.238.1176.4-56.3177.2-177.7174.20113.1E54 E60E54-K58 VanDerWaalsContact O-CA 3.25Å; E54-K58 WeakPolarHBondContact O-CA 3.39Å; E54-K58 PolarHBondContact O-N 2.88Å; K58-E60 VanDerWaalsContact C-N 3.31Å; K58-E60 PolarHBondContact O-N 3.16Å
59G96Very high98.5Very high34 Ų3450.8 Ų50.835%0.35125%0.247SC..THydrogen-bonded Turntrans79.8-2.5-179.700000116.1E54 Y57 R61E54-G59 PolarHBondContact O-N 2.78Å; E54-G59 WeakPolarHBondContact OE1-CA 3.36Å; E54-G59 WeakPolarHBondContact OE2-CA 3.18Å; Y57-G59 PolarHBondContact O-N 2.88Å; G59-R61 VanDerWaalsContact C-N 3.29Å; G59-R61 PolarHBondContact O-N 2.97Å
60E97.7Very high98.4Very high142 Ų14250.9 Ų50.966%0.66425%0.247SC*.SBendtrans-69.3-27.7177.9-65.8-68.7136.400112.5Y57 K58Y57-E60 WeakPolarHBondContact O-CB 3.4Å; Y57-E60 WeakPolarHBondContact O-CG 3.25Å; Y57-E60 PolarHBondContact O-N 3.29Å; K58-E60 VanDerWaalsContact C-N 3.31Å; K58-E60 PolarHBondContact O-N 3.16Å
61R98.4Very high98.2Very high69 Ų6948 Ų4826%0.2623%0.232SC..  trans-115143.6176.6-60.5-172.1-176.8168.54110.5E25 V53 Y57 G59 W369E25-R61 HydrophobicContact CB-CG 4.07Å; E25-R61 HydrophobicContact CG-CG 4.16Å; E25-R61 CarbonylContact O-C 3.54Å; E25-R61 VanDerWaalsContact O-CA 3.24Å; E25-R61 WeakPolarHBondContact O-CA 3.32Å; V53-R61 HydrophobicContact CG1-CB 4.11Å; V53-R61 WeakPolarHBondContact CG1-O 3.2Å; Y57-R61 HydrophobicContact CD2-CB 3.88Å; Y57-R61 HydrophobicContact CD2-CG 4.13Å; Y57-R61 HydrophobicContact CG-CB 4.07Å; Y57-R61 HydrophobicContact CG-CG 3.96Å; G59-R61 VanDerWaalsContact C-N 3.29Å; G59-R61 PolarHBondContact O-N 2.97Å; R61-W369 HydrophobicContact CB-CH2 3.86Å; R61-W369 HydrophobicContact CB-CZ2 4.2Å; R61-W369 HydrophobicContact CB-CZ3 4.23Å; R61-W369 HydrophobicContact CG-CZ2 4.37Å
62K98.6Very high98Very high139 Ų13951.5 Ų51.560%0.60424%0.244SC*.  trans-154.8127.7178.3-174.5175.6-178.7177.90112.1E25 N26E25-K62 PolarHBondContact O-N 2.88Å; N26-K62 VanDerWaalsContact CA-O 3.26Å; N26-K62 WeakPolarHBondContact CA-O 3.46Å
63I98.8Very high98Very high5 Ų554.3 Ų54.33%0.02626%0.256CS..  trans-73.6134.7174.9-64.1173.7000110P27 I29 V49 V53 W65 M363 L364 W369P27-I63 HydrophobicContact CG-CG1 4.24Å; I29-I63 HydrophobicContact CB-CG2 3.79Å; I29-I63 HydrophobicContact CG1-CG1 4.48Å; I29-I63 HydrophobicContact CG1-CG2 3.57Å; V49-I63 HydrophobicContact CG1-CD1 3.81Å; V53-I63 HydrophobicContact CG2-CD1 4.34Å; I63-W65 HydrophobicContact CB-CD2 4.44Å; I63-W65 HydrophobicContact CB-CZ2 4.1Å; I63-W65 HydrophobicContact CD1-CH2 3.99Å; I63-W65 HydrophobicContact CD1-CZ2 3.77Å; I63-W65 HydrophobicContact CG2-CD2 3.47Å; I63-W65 VanDerWaalsContact CG2-CD2 3.47Å; I63-W65 VanDerWaalsContact CG2-CE2 3.42Å; I63-W65 HydrophobicContact CG2-CE3 3.8Å; I63-W65 HydrophobicContact CG2-CG 4Å; I63-W65 HydrophobicContact CG2-CH2 4.07Å; I63-W65 HydrophobicContact CG2-CZ2 3.74Å; I63-W65 HydrophobicContact CG2-CZ3 4.09Å; I63-M363 HydrophobicContact CD1-CE 4.36Å; I63-L364 HydrophobicContact CD1-CD2 4.08Å; I63-W369 HydrophobicContact CD1-CZ3 4.23Å; I63-W369 HydrophobicContact CG1-CH2 4.22Å; I63-W369 HydrophobicContact CG1-CZ3 3.78Å
64S98.7Very high97.8Very high19 Ų1954.1 Ų54.113%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-99.692.7168.5-66.60000109.2G11 P27 I28 I29G11-S64 WeakPolarHBondContact CA-OG 3.45Å; P27-S64 PolarHBondContact O-N 3.42Å; I28-S64 VanDerWaalsContact CA-O 3.29Å; I28-S64 WeakPolarHBondContact CA-O 3.18Å; I29-S64 PolarHBondContact N-O 3.45Å; I29-S64 VanDerWaalsContact N-O 3.14Å
65W98.8Very high97.6Very high43 Ų4350 Ų5016%0.16324%0.237CC..EExtended strand (participates in β ladder)trans-66134-179.6-60.1108.5000111.8P8 I29 Y31 M45 L46 V49 D50 I63 I99 M363P8-W65 WeakPolarHBondContact CG-O 3.44Å; I29-W65 HydrophobicContact CB-CE3 3.94Å; I29-W65 HydrophobicContact CB-CZ3 3.91Å; I29-W65 HydrophobicContact CG2-CE3 3.98Å; I29-W65 HydrophobicContact CG2-CH2 4.48Å; I29-W65 HydrophobicContact CG2-CZ3 3.54Å; Y31-W65 HydrophobicContact CD1-CB 3.97Å; Y31-W65 HydrophobicContact CD1-CE3 4.31Å; Y31-W65 HydrophobicContact CE1-CB 3.91Å; M45-W65 HydrophobicContact SD-CH2 4.23Å; L46-W65 HydrophobicContact CD2-CD2 3.35Å; L46-W65 VanDerWaalsContact CD2-CE2 3.44Å; L46-W65 HydrophobicContact CD2-CE3 3.62Å; L46-W65 HydrophobicContact CD2-CG 3.8Å; L46-W65 HydrophobicContact CD2-CH2 4Å; L46-W65 HydrophobicContact CD2-CZ2 3.78Å; L46-W65 HydrophobicContact CD2-CZ3 3.93Å; V49-W65 HydrophobicContact CB-CZ2 4.13Å; V49-W65 HydrophobicContact CG1-CH2 4.07Å; V49-W65 HydrophobicContact CG1-CZ2 3.67Å; D50-W65 PolarHBondContact OD1-NE1 2.92Å; I63-W65 HydrophobicContact CB-CD2 4.44Å; I63-W65 HydrophobicContact CB-CZ2 4.1Å; I63-W65 HydrophobicContact CD1-CH2 3.99Å; I63-W65 HydrophobicContact CD1-CZ2 3.77Å; I63-W65 HydrophobicContact CG2-CD2 3.47Å; I63-W65 VanDerWaalsContact CG2-CD2 3.47Å; I63-W65 VanDerWaalsContact CG2-CE2 3.42Å; I63-W65 HydrophobicContact CG2-CE3 3.8Å; I63-W65 HydrophobicContact CG2-CG 4Å; I63-W65 HydrophobicContact CG2-CH2 4.07Å; I63-W65 HydrophobicContact CG2-CZ2 3.74Å; I63-W65 HydrophobicContact CG2-CZ3 4.09Å; W65-I99 HydrophobicContact CZ3-CG2 4.02Å; W65-M363 HydrophobicContact CH2-CE 3.72Å; W65-M363 HydrophobicContact CZ3-CE 4.16Å
66M98.7Very high97.5Very high1 Ų152 Ų521%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-125.7110.6177.5-177.1176.276.700109.4V5 V7 P8 I28 I29 P30 Y31 I68 L91 Y95V5-M66 HydrophobicContact CG1-CE 4.21Å; V5-M66 HydrophobicContact CG1-CG 3.64Å; V5-M66 HydrophobicContact CG1-SD 3.73Å; V7-M66 HydrophobicContact CB-SD 4.39Å; V7-M66 HydrophobicContact CG2-SD 4.03Å; P8-M66 HydrophobicContact CG-CB 4.03Å; I28-M66 HydrophobicContact CG2-CB 3.82Å; I28-M66 HydrophobicContact CG2-CE 4.33Å; I28-M66 HydrophobicContact CG2-SD 4.07Å; I29-M66 PolarHBondContact O-N 2.99Å; P30-M66 CarbonylContact C-O 3.6Å; P30-M66 WeakPolarHBondContact CA-O 3.25Å; P30-M66 HydrophobicContact CB-CE 4.1Å; P30-M66 HydrophobicContact CG-CE 3.86Å; Y31-M66 WeakPolarHBondContact CD1-O 3.4Å; Y31-M66 PolarHBondContact N-O 2.9Å; M66-I68 HydrophobicContact CE-CG2 4Å; M66-I68 PolarHBondContact O-N 2.85Å; M66-L91 HydrophobicContact CE-CB 4.45Å; M66-L91 HydrophobicContact CE-CD1 4.33Å; M66-L91 HydrophobicContact CE-CD2 4.02Å; M66-Y95 HydrophobicContact CE-CD2 3.93Å; M66-Y95 HydrophobicContact CE-CE1 4.5Å; M66-Y95 HydrophobicContact CE-CE2 3.75Å; M66-Y95 HydrophobicContact CE-CG 4.38Å; M66-Y95 HydrophobicContact SD-CE2 4.49Å
67E98.8Very high97.5Very high41 Ų4152.8 Ų52.819%0.19225%0.25CC..EExtended strand (participates in β ladder)trans-70.2129.6178.4-164.5177.5-155.200110.5Y31 Y69 K73Y31-E67 HydrophobicContact CD1-CB 4.44Å; Y31-E67 VanDerWaalsContact CE1-CA 3.49Å; Y31-E67 HydrophobicContact CE1-CB 3.69Å; Y31-E67 HydrophobicContact CE1-CG 4.26Å; Y31-E67 HydrophobicContact CE2-CB 4.29Å; Y31-E67 HydrophobicContact CE2-CG 3.95Å; Y31-E67 WeakPolarHBondContact O-CA 3.11Å; E67-Y69 HydrophobicContact CG-CD1 4.35Å; E67-Y69 HydrophobicContact CG-CE1 3.65Å; E67-Y69 WeakPolarHBondContact OE2-CE1 3.29Å; E67-Y69 PolarHBondContact OE2-OH 3.26Å; E67-K73 WeakPolarHBondContact OE1-CE 3.27Å; E67-K73 IonicContact OE1-NZ 3.74Å; E67-K73 PolarHBondContact OE1-NZ 3.2Å; E67-K73 IonicContact OE2-NZ 2.73Å
68I98.7Very high97.4Very high1 Ų152.8 Ų52.81%0.00525%0.25CC..  trans-125.7160.3169.969.8174.8000108.9V5 P30 Y31 I32 M66 T88 L91 I92V5-I68 HydrophobicContact CG1-CG2 4.06Å; V5-I68 HydrophobicContact CG2-CB 4.37Å; V5-I68 HydrophobicContact CG2-CG2 4.02Å; P30-I68 HydrophobicContact CB-CD1 3.7Å; P30-I68 HydrophobicContact CB-CG1 4.19Å; P30-I68 HydrophobicContact CB-CG2 4.04Å; Y31-I68 PolarHBondContact O-N 2.56Å; I32-I68 HydrophobicContact CD1-CD1 4.4Å; I32-I68 HydrophobicContact CD1-CG1 4.32Å; I32-I68 HydrophobicContact CG1-CD1 4.15Å; I32-I68 HydrophobicContact CG1-CG1 3.58Å; M66-I68 HydrophobicContact CE-CG2 4Å; M66-I68 PolarHBondContact O-N 2.85Å; I68-T88 HydrophobicContact CD1-CG2 3.76Å; I68-T88 HydrophobicContact CG1-CG2 4.31Å; I68-L91 HydrophobicContact CB-CD1 4.46Å; I68-L91 HydrophobicContact CG2-CB 4.38Å; I68-L91 HydrophobicContact CG2-CD1 3.61Å; I68-I92 HydrophobicContact CD1-CD1 4.1Å; I68-I92 HydrophobicContact CD1-CG1 3.66Å
69Y98.3Very high97.2Very high31 Ų3145.7 Ų45.712%0.12223%0.228CC..  trans-121.9129.8-164.5-50.7-78.4000112.5V5 E67 K73 V77 Y78 P85 T88V5-Y69 HydrophobicContact CG2-CD2 4.33Å; V5-Y69 HydrophobicContact CG2-CE2 4.3Å; E67-Y69 HydrophobicContact CG-CD1 4.35Å; E67-Y69 HydrophobicContact CG-CE1 3.65Å; E67-Y69 WeakPolarHBondContact OE2-CE1 3.29Å; E67-Y69 PolarHBondContact OE2-OH 3.26Å; Y69-K73 HydrophobicContact CD1-CD 4.03Å; Y69-K73 HydrophobicContact CD1-CG 4.01Å; Y69-K73 HydrophobicContact CE1-CD 4.18Å; Y69-K73 HydrophobicContact CE1-CG 4.45Å; Y69-V77 HydrophobicContact CD1-CG2 4.08Å; Y69-V77 HydrophobicContact CD2-CG1 4Å; Y69-V77 HydrophobicContact CE1-CG2 4.18Å; Y69-V77 HydrophobicContact CE2-CG1 4.15Å; Y69-V77 HydrophobicContact CG-CB 4.48Å; Y69-V77 HydrophobicContact CG-CG1 4.37Å; Y69-V77 HydrophobicContact CG-CG2 4.32Å; Y69-Y78 AromaticContact CD2-CE2 3.73Å; Y69-Y78 HydrophobicContact CD2-CE2 3.73Å; Y69-Y78 HydrophobicContact CG-CE2 4.24Å; Y69-P85 WeakPolarHBondContact O-CD 3.43Å; Y69-P85 WeakPolarHBondContact O-CG 3.32Å; Y69-T88 PolarHBondContact O-OG1 2.94Å
70T97.3Very high96.9Very high1 Ų152 Ų521%0.00625%0.249CC..  trans-146.4151.7168.8-65.40000107.4W83 L84 T88 L103 L114 L118T70-W83 CarbonylContact C-O 3.57Å; T70-W83 WeakPolarHBondContact CA-O 3.45Å; T70-L84 HydrophobicContact CG2-CD1 3.81Å; T70-L84 WeakPolarHBondContact OG1-CD1 3.37Å; T70-T88 WeakPolarHBondContact OG1-CG2 3.44Å; T70-L103 HydrophobicContact CG2-CD1 3.78Å; T70-L103 HydrophobicContact CG2-CD2 4.28Å; T70-L114 HydrophobicContact CG2-CD1 4.32Å; T70-L118 HydrophobicContact CG2-CD1 4.39Å
71G95.4Very high96.4Very high0 Ų051.8 Ų51.80%025%0.252CS..SBendtrans88.8-152.9179.300000113K73 S74 T75 W83G71-K73 VanDerWaalsContact C-N 3.3Å; G71-K73 PolarHBondContact O-N 3.47Å; G71-S74 VanDerWaalsContact O-CB 3.28Å; G71-S74 WeakPolarHBondContact O-CB 3.47Å; G71-S74 PolarHBondContact O-N 3.02Å; G71-S74 VanDerWaalsContact O-N 3.08Å; G71-T75 PolarHBondContact O-N 3.17Å; G71-W83 PolarHBondContact N-O 3.23Å
72E94.9Very high96.2Very high100 Ų10049.8 Ų49.847%0.46725%0.247SC..Hα-helixtrans-60.9-38.9-177.7-172.2179.2172.900111.6D35 S74 T75 Q76D35-E72 HydrophobicContact CB-CB 4.49Å; D35-E72 VanDerWaalsContact OD1-CB 3.28Å; D35-E72 WeakPolarHBondContact OD1-CB 3.12Å; D35-E72 PolarHBondContact OD1-N 2.91Å; D35-E72 PolarHBondContact OD2-N 3.25Å; E72-S74 PolarHBondContact O-N 3.23Å; E72-T75 PolarHBondContact O-N 2.88Å; E72-T75 VanDerWaalsContact O-N 3.12Å; E72-T75 PolarHBondContact O-OG1 3.41Å; E72-Q76 PolarHBondContact O-N 3.37Å
73K96.8Very high96Very high59 Ų5946 Ų4626%0.25723%0.229SC..Hα-helixtrans-61.8-35.1176.2-164.3171-169170.30112E33 E67 Y69 G71 T75 Q76 V77E33-K73 HydrophobicContact CB-CD 4.43Å; E33-K73 IonicContact OE1-NZ 2.65Å; E33-K73 PolarHBondContact OE1-NZ 2.96Å; E33-K73 VanDerWaalsContact OE1-NZ 3.15Å; E33-K73 WeakPolarHBondContact OE2-CD 3.46Å; E33-K73 IonicContact OE2-NZ 3.95Å; E33-K73 PolarHBondContact OE2-NZ 3.32Å; E67-K73 WeakPolarHBondContact OE1-CE 3.27Å; E67-K73 IonicContact OE1-NZ 3.74Å; E67-K73 PolarHBondContact OE1-NZ 3.2Å; E67-K73 IonicContact OE2-NZ 2.73Å; Y69-K73 HydrophobicContact CD1-CD 4.03Å; Y69-K73 HydrophobicContact CD1-CG 4.01Å; Y69-K73 HydrophobicContact CE1-CD 4.18Å; Y69-K73 HydrophobicContact CE1-CG 4.45Å; G71-K73 VanDerWaalsContact C-N 3.3Å; G71-K73 PolarHBondContact O-N 3.47Å; K73-T75 VanDerWaalsContact C-N 3.33Å; K73-T75 PolarHBondContact O-N 3.47Å; K73-Q76 PolarHBondContact O-N 3.21Å; K73-V77 HydrophobicContact CG-CG2 4.49Å; K73-V77 WeakPolarHBondContact O-CG2 2.93Å; K73-V77 PolarHBondContact O-N 2.96Å; K73-V77 VanDerWaalsContact O-N 3.09Å
74S96.6Very high95.8Very high0 Ų047.8 Ų47.80%024%0.239CC..Hα-helixtrans-64.4-38176.1-178.40000112.1G71 E72 Q76 V77 Y78 V82 P85G71-S74 VanDerWaalsContact O-CB 3.28Å; G71-S74 WeakPolarHBondContact O-CB 3.47Å; G71-S74 PolarHBondContact O-N 3.02Å; G71-S74 VanDerWaalsContact O-N 3.08Å; E72-S74 PolarHBondContact O-N 3.23Å; S74-Q76 PolarHBondContact O-N 3.44Å; S74-V77 PolarHBondContact O-N 3.41Å; S74-Y78 PolarHBondContact O-N 3.23Å; S74-V82 CarbonylContact C-O 3.47Å; S74-V82 WeakPolarHBondContact CB-O 3.35Å; S74-V82 PolarHBondContact OG-O 3.25Å; S74-P85 VanDerWaalsContact OG-CD 3.25Å; S74-P85 WeakPolarHBondContact OG-CD 3.49Å; S74-P85 WeakPolarHBondContact OG-CG 3.44Å
75T94.5Very high95.7Very high18 Ų1847 Ų4711%0.1123%0.233CC..Hα-helixtrans-66.9-29.3178.871.10000112.4G71 E72 K73 G79 Q80 V82 W83G71-T75 PolarHBondContact O-N 3.17Å; E72-T75 PolarHBondContact O-N 2.88Å; E72-T75 VanDerWaalsContact O-N 3.12Å; E72-T75 PolarHBondContact O-OG1 3.41Å; K73-T75 VanDerWaalsContact C-N 3.33Å; K73-T75 PolarHBondContact O-N 3.47Å; T75-G79 VanDerWaalsContact CA-O 3.23Å; T75-G79 WeakPolarHBondContact CA-O 3.3Å; T75-G79 CarbonylContact O-C 3.53Å; T75-G79 WeakPolarHBondContact O-CA 3.43Å; T75-G79 PolarHBondContact O-N 3.32Å; T75-Q80 WeakPolarHBondContact CG2-O 3.41Å; T75-V82 PolarHBondContact N-O 3.14Å; T75-W83 HydrophobicContact CG2-CD2 3.71Å; T75-W83 HydrophobicContact CG2-CE3 4.12Å; T75-W83 HydrophobicContact CG2-CG 4.02Å; T75-W83 HydrophobicContact CG2-CZ2 4.14Å
76Q95.8Very high95.6Very high149 Ų14948.2 Ų48.270%0.69625%0.252SS*.Hα-helixtrans-75.2-36.1174.3-56.7-57.7-30.400112.6E72 K73 S74E72-Q76 PolarHBondContact O-N 3.37Å; K73-Q76 PolarHBondContact O-N 3.21Å; S74-Q76 PolarHBondContact O-N 3.44Å
77V97.4Very high95.5Very high46 Ų4650.4 Ų50.428%0.27926%0.262SS..Hα-helixtrans-82.9-41-175.6173.10000112.5K4 Y69 K73 S74K4-V77 HydrophobicContact CB-CG1 3.52Å; K4-V77 HydrophobicContact CG-CG1 3.61Å; Y69-V77 HydrophobicContact CD1-CG2 4.08Å; Y69-V77 HydrophobicContact CD2-CG1 4Å; Y69-V77 HydrophobicContact CE1-CG2 4.18Å; Y69-V77 HydrophobicContact CE2-CG1 4.15Å; Y69-V77 HydrophobicContact CG-CB 4.48Å; Y69-V77 HydrophobicContact CG-CG1 4.37Å; Y69-V77 HydrophobicContact CG-CG2 4.32Å; K73-V77 HydrophobicContact CG-CG2 4.49Å; K73-V77 WeakPolarHBondContact O-CG2 2.93Å; K73-V77 PolarHBondContact O-N 2.96Å; K73-V77 VanDerWaalsContact O-N 3.09Å; S74-V77 PolarHBondContact O-N 3.41Å
78Y97Very high95.5Very high28 Ų2848.5 Ų48.511%0.1125%0.253CS..Hα-helixtrans-113.1-16.5-171-70.4-74.3000114.9M1 E2 K4 Y69 S74 V82 P85 E87M1-Y78 HydrophobicContact CG-CD1 3.37Å; M1-Y78 HydrophobicContact CG-CE1 3.93Å; M1-Y78 HydrophobicContact CG-CG 4.24Å; M1-Y78 HydrophobicContact SD-CD1 3.28Å; M1-Y78 WeakPolarHBondContact SD-CD1 3.17Å; M1-Y78 HydrophobicContact SD-CE1 3.91Å; M1-Y78 HydrophobicContact SD-CG 3.64Å; E2-Y78 WeakPolarHBondContact O-CE1 3.19Å; K4-Y78 HydrophobicContact CB-CE1 4.08Å; K4-Y78 HydrophobicContact CG-CD1 4.2Å; K4-Y78 HydrophobicContact CG-CE1 3.84Å; K4-Y78 PolarHBondContact N-OH 3.05Å; Y69-Y78 AromaticContact CD2-CE2 3.73Å; Y69-Y78 HydrophobicContact CD2-CE2 3.73Å; Y69-Y78 HydrophobicContact CG-CE2 4.24Å; S74-Y78 PolarHBondContact O-N 3.23Å; Y78-V82 HydrophobicContact CG-CG1 4.4Å; Y78-P85 HydrophobicContact CD2-CG 3.74Å; Y78-P85 HydrophobicContact CE2-CB 4.48Å; Y78-P85 HydrophobicContact CE2-CG 3.91Å; Y78-P85 HydrophobicContact CG-CG 4.45Å; Y78-E87 PolarHBondContact OH-OE2 3.48Å
79G94.5Very high95.5Very high33 Ų3349.5 Ų49.534%0.3426%0.259SS..  trans127.8160.4177.600000114T75 D81 V82T75-G79 VanDerWaalsContact CA-O 3.23Å; T75-G79 WeakPolarHBondContact CA-O 3.3Å; T75-G79 CarbonylContact O-C 3.53Å; T75-G79 WeakPolarHBondContact O-CA 3.43Å; T75-G79 PolarHBondContact O-N 3.32Å; G79-D81 VanDerWaalsContact C-N 3.29Å; G79-D81 PolarHBondContact O-N 3.25Å; G79-V82 WeakPolarHBondContact O-CB 3.49Å; G79-V82 PolarHBondContact O-N 3.06Å
80Q88.7Confident95.5Very high168 Ų16852.6 Ų52.679%0.78528%0.277SS*.THydrogen-bonded Turntrans-50.1-36.6-162.6-174.6170.60.300116.3T75T75-Q80 WeakPolarHBondContact CG2-O 3.41Å
81D88.4Confident95.5Very high136 Ų13653.2 Ų53.273%0.72728%0.281SS*.THydrogen-bonded Turntrans-107.710.6-176.5-62.3-45.4000113.5G79 W83G79-D81 VanDerWaalsContact C-N 3.29Å; G79-D81 PolarHBondContact O-N 3.25Å; D81-W83 PolarHBondContact O-N 3.3Å
82V93.2Very high95.7Very high28 Ų2853.2 Ų53.217%0.1728%0.281CS..  trans-91.276.9-179.2-170.60000109.6M1 S74 T75 Y78 G79 P85M1-V82 HydrophobicContact CE-CB 4.02Å; M1-V82 HydrophobicContact CE-CG1 3.4Å; M1-V82 VanDerWaalsContact CE-CG1 3.4Å; M1-V82 HydrophobicContact CE-CG2 3.38Å; M1-V82 HydrophobicContact SD-CG1 3.92Å; S74-V82 CarbonylContact C-O 3.47Å; S74-V82 WeakPolarHBondContact CB-O 3.35Å; S74-V82 PolarHBondContact OG-O 3.25Å; T75-V82 PolarHBondContact N-O 3.14Å; Y78-V82 HydrophobicContact CG-CG1 4.4Å; G79-V82 WeakPolarHBondContact O-CB 3.49Å; G79-V82 PolarHBondContact O-N 3.06Å; V82-P85 HydrophobicContact CG1-CB 4.17Å; V82-P85 HydrophobicContact CG1-CG 3.8Å
83W93.9Very high95.9Very high59 Ų5952.5 Ų52.522%0.22327%0.274CS..SBendtrans-80.4-36179.7-69.386.3000113.4T70 G71 T75 D81 P106 L114T70-W83 CarbonylContact C-O 3.57Å; T70-W83 WeakPolarHBondContact CA-O 3.45Å; G71-W83 PolarHBondContact N-O 3.23Å; T75-W83 HydrophobicContact CG2-CD2 3.71Å; T75-W83 HydrophobicContact CG2-CE3 4.12Å; T75-W83 HydrophobicContact CG2-CG 4.02Å; T75-W83 HydrophobicContact CG2-CZ2 4.14Å; D81-W83 PolarHBondContact O-N 3.3Å; W83-P106 HydrophobicContact CD2-CG 4.5Å; W83-P106 HydrophobicContact CE3-CG 4.48Å; W83-P106 HydrophobicContact CH2-CB 4.31Å; W83-P106 HydrophobicContact CH2-CG 4.44Å; W83-P106 HydrophobicContact CZ2-CB 4.4Å; W83-P106 HydrophobicContact CZ2-CG 4.45Å; W83-P106 HydrophobicContact CZ3-CG 4.45Å; W83-L114 HydrophobicContact CB-CD1 4.47Å; W83-L114 HydrophobicContact CB-CD2 4.13Å; W83-L114 HydrophobicContact CE3-CD1 4.17Å
84L95.2Very high95.9Very high43 Ų4353.5 Ų53.523%0.22528%0.279CS..SBendtrans-135.490.6178.517858.5000108.4T70 T88 L89 L114 A117 L118T70-L84 HydrophobicContact CG2-CD1 3.81Å; T70-L84 WeakPolarHBondContact OG1-CD1 3.37Å; L84-T88 HydrophobicContact CD1-CG2 4.35Å; L84-L89 HydrophobicContact CD1-CD2 4.14Å; L84-L89 HydrophobicContact CD1-CG 4.45Å; L84-L89 HydrophobicContact CD2-CD2 4.31Å; L84-L89 HydrophobicContact CG-CD2 4.47Å; L84-L114 HydrophobicContact CB-CD2 4.24Å; L84-A117 HydrophobicContact CD2-CB 4Å; L84-L118 HydrophobicContact CD1-CD2 3.69Å; L84-L118 HydrophobicContact CD1-CG 4.24Å
85P96.1Very high96Very high3 Ų354.1 Ų54.12%0.01928%0.282CS..  trans-60.2137.7175-15.626.7000110.4M1 Y69 S74 Y78 V82 E87 T88M1-P85 HydrophobicContact SD-CB 4.33Å; Y69-P85 WeakPolarHBondContact O-CD 3.43Å; Y69-P85 WeakPolarHBondContact O-CG 3.32Å; S74-P85 VanDerWaalsContact OG-CD 3.25Å; S74-P85 WeakPolarHBondContact OG-CD 3.49Å; S74-P85 WeakPolarHBondContact OG-CG 3.44Å; Y78-P85 HydrophobicContact CD2-CG 3.74Å; Y78-P85 HydrophobicContact CE2-CB 4.48Å; Y78-P85 HydrophobicContact CE2-CG 3.91Å; Y78-P85 HydrophobicContact CG-CG 4.45Å; V82-P85 HydrophobicContact CG1-CB 4.17Å; V82-P85 HydrophobicContact CG1-CG 3.8Å; P85-E87 PolarHBondContact O-N 2.79Å; P85-T88 WeakPolarHBondContact O-CB 3.44Å; P85-T88 PolarHBondContact O-N 3.47Å
86A96.5Very high96.2Very high67 Ų6755.6 Ų55.655%0.55429%0.285SS*.Hα-helixtrans-56.9-34.2173.400000112.1T88 L89 D90A86-T88 PolarHBondContact O-N 2.86Å; A86-L89 WeakPolarHBondContact O-CB 3.44Å; A86-L89 PolarHBondContact O-N 3.18Å; A86-D90 PolarHBondContact O-N 3.36Å
87E97.9Very high96.4Very high48 Ų4848.5 Ų48.522%0.22425%0.252CS..Hα-helixtrans-54.5-37.3174171.9170.9-129.400112.7S3 Y78 P85 L89 D90 L91S3-E87 WeakPolarHBondContact CB-OE1 3.46Å; S3-E87 VanDerWaalsContact OG-CD 3.23Å; S3-E87 PolarHBondContact OG-OE1 2.73Å; S3-E87 PolarHBondContact OG-OE2 3.44Å; Y78-E87 PolarHBondContact OH-OE2 3.48Å; P85-E87 PolarHBondContact O-N 2.79Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.38Å; E87-D90 PolarHBondContact O-N 2.93Å; E87-L91 HydrophobicContact CG-CD1 3.52Å; E87-L91 HydrophobicContact CG-CG 4Å; E87-L91 WeakPolarHBondContact O-CB 3.24Å; E87-L91 WeakPolarHBondContact O-CG 3.36Å; E87-L91 PolarHBondContact O-N 3.34Å
88T98.3Very high96.4Very high0 Ų046.4 Ų46.40%024%0.239CC..Hα-helixtrans-64.1-39.5177.6-69.30000111.2I32 I68 Y69 T70 L84 P85 A86 I92I32-T88 HydrophobicContact CD1-CG2 4.12Å; I68-T88 HydrophobicContact CD1-CG2 3.76Å; I68-T88 HydrophobicContact CG1-CG2 4.31Å; Y69-T88 PolarHBondContact O-OG1 2.94Å; T70-T88 WeakPolarHBondContact OG1-CG2 3.44Å; L84-T88 HydrophobicContact CD1-CG2 4.35Å; P85-T88 WeakPolarHBondContact O-CB 3.44Å; P85-T88 PolarHBondContact O-N 3.47Å; A86-T88 PolarHBondContact O-N 2.86Å; T88-I92 HydrophobicContact CG2-CD1 3.85Å; T88-I92 WeakPolarHBondContact O-CD1 3.32Å; T88-I92 VanDerWaalsContact O-CG1 3.23Å; T88-I92 WeakPolarHBondContact O-CG1 3.29Å; T88-I92 PolarHBondContact O-N 2.83Å
89L98.2Very high96.5Very high23 Ų2345.1 Ų45.112%0.1223%0.234CC..Hα-helixtrans-66.2-44176.5-56.6172.7000111L84 A86 E87 R93 L118 E121 L122L84-L89 HydrophobicContact CD1-CD2 4.14Å; L84-L89 HydrophobicContact CD1-CG 4.45Å; L84-L89 HydrophobicContact CD2-CD2 4.31Å; L84-L89 HydrophobicContact CG-CD2 4.47Å; A86-L89 WeakPolarHBondContact O-CB 3.44Å; A86-L89 PolarHBondContact O-N 3.18Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.38Å; L89-R93 WeakPolarHBondContact O-CB 3.34Å; L89-R93 PolarHBondContact O-N 3.41Å; L89-R93 VanDerWaalsContact O-N 3.12Å; L89-L118 HydrophobicContact CD2-CD2 3.88Å; L89-E121 HydrophobicContact CD1-CB 4.06Å; L89-E121 HydrophobicContact CD1-CG 4.44Å; L89-E121 HydrophobicContact CD2-CB 4.14Å; L89-L122 HydrophobicContact CB-CD2 4.33Å; L89-L122 HydrophobicContact CD2-CD1 4.28Å; L89-L122 HydrophobicContact CD2-CD2 4.39Å; L89-L122 HydrophobicContact CD2-CG 4.06Å; L89-L122 WeakPolarHBondContact O-CD2 3.32Å
90D98.4Very high96.7Very high96 Ų9643.6 Ų43.651%0.51322%0.218SC..Hα-helixtrans-62.6-46.2178.3-67.7-26.1000111.3A86 E87 R93 E94A86-D90 PolarHBondContact O-N 3.36Å; E87-D90 PolarHBondContact O-N 2.93Å; D90-R93 PolarHBondContact O-N 3.41Å; D90-E94 WeakPolarHBondContact O-CB 3.39Å; D90-E94 PolarHBondContact O-N 2.71Å
91L98.6Very high97.2Very high14 Ų1435.6 Ų35.67%0.07318%0.181CC..Hα-helixtrans-66.2-40.5-180-70171.9000112.4V5 M66 I68 E87 R93 E94 Y95V5-L91 HydrophobicContact CB-CD1 4.17Å; V5-L91 HydrophobicContact CG1-CD1 3.97Å; V5-L91 HydrophobicContact CG2-CD1 3.85Å; M66-L91 HydrophobicContact CE-CB 4.45Å; M66-L91 HydrophobicContact CE-CD1 4.33Å; M66-L91 HydrophobicContact CE-CD2 4.02Å; I68-L91 HydrophobicContact CB-CD1 4.46Å; I68-L91 HydrophobicContact CG2-CB 4.38Å; I68-L91 HydrophobicContact CG2-CD1 3.61Å; E87-L91 HydrophobicContact CG-CD1 3.52Å; E87-L91 HydrophobicContact CG-CG 4Å; E87-L91 WeakPolarHBondContact O-CB 3.24Å; E87-L91 WeakPolarHBondContact O-CG 3.36Å; E87-L91 PolarHBondContact O-N 3.34Å; L91-R93 VanDerWaalsContact C-N 3.34Å; L91-R93 PolarHBondContact O-N 2.86Å; L91-E94 PolarHBondContact O-N 3.09Å; L91-Y95 HydrophobicContact CD2-CD2 4.17Å; L91-Y95 HydrophobicContact CD2-CE2 3.73Å; L91-Y95 WeakPolarHBondContact O-CB 3.17Å; L91-Y95 VanDerWaalsContact O-CD2 3.29Å; L91-Y95 WeakPolarHBondContact O-CD2 3.14Å; L91-Y95 PolarHBondContact O-N 3.02Å
92I98.7Very high97.6Very high0 Ų029.2 Ų29.20%015%0.147CC..Hα-helixtrans-62.1-45.3175.7-68.2165.5000110.3I68 T88 R96 A98 L118 L122 C332 L334I68-I92 HydrophobicContact CD1-CD1 4.1Å; I68-I92 HydrophobicContact CD1-CG1 3.66Å; T88-I92 HydrophobicContact CG2-CD1 3.85Å; T88-I92 WeakPolarHBondContact O-CD1 3.32Å; T88-I92 VanDerWaalsContact O-CG1 3.23Å; T88-I92 WeakPolarHBondContact O-CG1 3.29Å; T88-I92 PolarHBondContact O-N 2.83Å; I92-R96 PolarHBondContact O-N 3.2Å; I92-A98 HydrophobicContact CB-CB 4.48Å; I92-A98 HydrophobicContact CG1-CB 3.92Å; I92-A98 HydrophobicContact CG2-CB 4.16Å; I92-L118 HydrophobicContact CD1-CD2 4.15Å; I92-L122 HydrophobicContact CB-CD1 4.13Å; I92-L122 HydrophobicContact CB-CD2 4.42Å; I92-L122 HydrophobicContact CD1-CD1 3.99Å; I92-L122 HydrophobicContact CG2-CD1 3.73Å; I92-L122 HydrophobicContact CG2-CD2 4.36Å; I92-C332 HydrophobicContact CG2-CB 4.37Å; I92-L334 HydrophobicContact CD1-CD1 4.37Å
93R98.4Very high97.8Very high85 Ų8528.5 Ų28.532%0.32114%0.142SC..Hα-helixtrans-65.3-42.9178.2-176.1173.5-71109.8-6.6112.1L89 D90 L91 R96 E121 L122L89-R93 WeakPolarHBondContact O-CB 3.34Å; L89-R93 PolarHBondContact O-N 3.41Å; L89-R93 VanDerWaalsContact O-N 3.12Å; D90-R93 PolarHBondContact O-N 3.41Å; L91-R93 VanDerWaalsContact C-N 3.34Å; L91-R93 PolarHBondContact O-N 2.86Å; R93-R96 WeakPolarHBondContact O-CD 3.42Å; R93-E121 PolarHBondContact NH2-O 3.2Å; R93-L122 HydrophobicContact CB-CD2 4.32Å
94E98.4Very high97.6Very high80 Ų8027.7 Ų27.737%0.37414%0.144SC..Hα-helixtrans-65.8-44.5-178.3179.3176.2-174.100112K13 D90 L91K13-E94 HydrophobicContact CD-CG 3.93Å; K13-E94 WeakPolarHBondContact CD-O 3.38Å; K13-E94 VanDerWaalsContact CE-CG 3.46Å; K13-E94 WeakPolarHBondContact CE-OE1 3.25Å; K13-E94 VanDerWaalsContact NZ-CG 3.29Å; K13-E94 IonicContact NZ-OE1 3.64Å; K13-E94 PolarHBondContact NZ-OE1 3.32Å; D90-E94 WeakPolarHBondContact O-CB 3.39Å; D90-E94 PolarHBondContact O-N 2.71Å; L91-E94 PolarHBondContact O-N 3.09Å
95Y98.6Very high96.6Very high13 Ų1328.2 Ų28.25%0.05115%0.149CC..Hα-helixtrans-91.3-0.3-176-72.8-93.6000114.3V7 K13 I28 P30 M66 L91 V97V7-Y95 WeakPolarHBondContact CG1-OH 3.35Å; K13-Y95 HydrophobicContact CB-CD1 4.43Å; K13-Y95 HydrophobicContact CB-CE1 4.37Å; K13-Y95 HydrophobicContact CG-CD1 3.94Å; K13-Y95 HydrophobicContact CG-CE1 4.19Å; K13-Y95 HydrophobicContact CG-CG 4.39Å; I28-Y95 HydrophobicContact CB-CD1 3.65Å; I28-Y95 HydrophobicContact CB-CE1 3.54Å; I28-Y95 HydrophobicContact CD1-CE1 3.76Å; I28-Y95 HydrophobicContact CG1-CE1 4.22Å; I28-Y95 HydrophobicContact CG2-CD1 3.55Å; I28-Y95 HydrophobicContact CG2-CE1 3.38Å; P30-Y95 VanDerWaalsContact CG-CB 3.5Å; P30-Y95 HydrophobicContact CG-CD2 4.31Å; P30-Y95 HydrophobicContact CG-CG 3.94Å; M66-Y95 HydrophobicContact CE-CD2 3.93Å; M66-Y95 HydrophobicContact CE-CE1 4.5Å; M66-Y95 HydrophobicContact CE-CE2 3.75Å; M66-Y95 HydrophobicContact CE-CG 4.38Å; M66-Y95 HydrophobicContact SD-CE2 4.49Å; L91-Y95 HydrophobicContact CD2-CD2 4.17Å; L91-Y95 HydrophobicContact CD2-CE2 3.73Å; L91-Y95 WeakPolarHBondContact O-CB 3.17Å; L91-Y95 VanDerWaalsContact O-CD2 3.29Å; L91-Y95 WeakPolarHBondContact O-CD2 3.14Å; L91-Y95 PolarHBondContact O-N 3.02Å; Y95-V97 PolarHBondContact O-N 3.23Å
96R98.5Very high95.4Very high49 Ų4929.3 Ų29.319%0.18516%0.156CC..SBendtrans69.8-40.8169.3-48.1-60.6175.4168.72.5115.9I14 L21 I92 R93 E331 C332 A333I14-R96 HydrophobicContact CB-CB 4.2Å; I14-R96 HydrophobicContact CB-CG 4.24Å; I14-R96 HydrophobicContact CG2-CB 3.96Å; I14-R96 HydrophobicContact CG2-CG 4.08Å; I14-R96 WeakPolarHBondContact O-CG 3.4Å; L21-R96 HydrophobicContact CD2-CB 4Å; L21-R96 HydrophobicContact CD2-CG 4.38Å; I92-R96 PolarHBondContact O-N 3.2Å; R93-R96 WeakPolarHBondContact O-CD 3.42Å; R96-E331 WeakPolarHBondContact CD-O 3.39Å; R96-E331 IonicContact CZ-OE2 2.56Å; R96-E331 PolarHBondContact NH1-O 3.19Å; R96-E331 IonicContact NH1-OE2 2.75Å; R96-E331 PolarHBondContact NH1-OE2 3.43Å; R96-E331 IonicContact NH2-OE2 3.7Å; R96-C332 CarbonylContact O-C 3.58Å; R96-C332 WeakPolarHBondContact O-CA 3.48Å; R96-C332 VanDerWaalsContact O-CB 3.29Å; R96-C332 WeakPolarHBondContact O-CB 3.48Å; R96-A333 PolarHBondContact O-N 3.06Å
97V98.8Very high94.1Very high0 Ų033.3 Ų33.30%017%0.173CC..EExtended strand (participates in β ladder)trans-129.3122.3-175.5176.30000108.7I14 L21 I29 P30 Y95 A333 F335 M363 M367I14-V97 HydrophobicContact CD1-CB 4.04Å; I14-V97 HydrophobicContact CD1-CG2 4.04Å; L21-V97 HydrophobicContact CD1-CG2 3.91Å; I29-V97 HydrophobicContact CD1-CB 4.19Å; I29-V97 HydrophobicContact CD1-CG1 4.21Å; P30-V97 VanDerWaalsContact CD-O 3.25Å; P30-V97 WeakPolarHBondContact CD-O 3.33Å; Y95-V97 PolarHBondContact O-N 3.23Å; V97-A333 WeakPolarHBondContact CA-O 3.37Å; V97-F335 HydrophobicContact CG1-CD2 4.23Å; V97-F335 HydrophobicContact CG1-CE2 3.91Å; V97-M363 HydrophobicContact CG1-CG 3.4Å; V97-M363 VanDerWaalsContact CG1-CG 3.4Å; V97-M363 HydrophobicContact CG1-SD 3.96Å; V97-M367 HydrophobicContact CG1-CG 4.24Å; V97-M367 HydrophobicContact CG1-SD 4.2Å; V97-M367 HydrophobicContact CG2-CG 4.37Å
98A98.9Very high92.1Very high1 Ų135 Ų351%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-136.9161.7178.200000111.6P30 I92 A333 L334 F335P30-A98 HydrophobicContact CB-CB 4.07Å; P30-A98 HydrophobicContact CG-CB 4.33Å; P30-A98 VanDerWaalsContact O-CA 3.25Å; P30-A98 WeakPolarHBondContact O-CA 3.24Å; P30-A98 WeakPolarHBondContact O-CB 3.44Å; I92-A98 HydrophobicContact CB-CB 4.48Å; I92-A98 HydrophobicContact CG1-CB 3.92Å; I92-A98 HydrophobicContact CG2-CB 4.16Å; A98-A333 PolarHBondContact N-O 3Å; A98-L334 HydrophobicContact CB-CD1 3.89Å; A98-L334 WeakPolarHBondContact O-CA 3.37Å; A98-F335 WeakPolarHBondContact O-CD2 3.42Å; A98-F335 PolarHBondContact O-N 2.97Å
99I98.9Very high90.2Very high1 Ų137.7 Ų37.71%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-132.1146.5177-169.9160.9000111.6P30 Y31 I32 M45 W65 F335 I356 A360 M363P30-I99 PolarHBondContact O-N 2.51Å; P30-I99 VanDerWaalsContact O-N 3.11Å; Y31-I99 CarbonylContact C-O 3.5Å; Y31-I99 WeakPolarHBondContact CA-O 3.47Å; I32-I99 PolarHBondContact N-O 2.73Å; M45-I99 HydrophobicContact CE-CD1 3.98Å; M45-I99 HydrophobicContact CE-CG1 4.35Å; M45-I99 HydrophobicContact CE-CG2 3.85Å; M45-I99 HydrophobicContact SD-CD1 4.19Å; W65-I99 HydrophobicContact CZ3-CG2 4.02Å; I99-F335 CarbonylContact C-O 3.47Å; I99-F335 VanDerWaalsContact CA-O 3.3Å; I99-F335 WeakPolarHBondContact CA-O 3.46Å; I99-F335 HydrophobicContact CB-CB 4.24Å; I99-F335 HydrophobicContact CD1-CB 4.16Å; I99-F335 HydrophobicContact CG1-CB 3.93Å; I99-I356 HydrophobicContact CD1-CG1 4.26Å; I99-I356 HydrophobicContact CG1-CG1 4.5Å; I99-A360 HydrophobicContact CD1-CB 3.64Å; I99-M363 HydrophobicContact CB-SD 4.04Å; I99-M363 HydrophobicContact CG2-SD 4.3Å
100K98.8Very high88.4Confident2 Ų240.3 Ų40.31%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-135147.3178.168.1163-162.968.90114.7I32 L103 N115 L118 L334 F335 E336 A337I32-K100 HydrophobicContact CB-CB 3.77Å; I32-K100 HydrophobicContact CD1-CB 4.09Å; I32-K100 HydrophobicContact CG1-CB 4.38Å; I32-K100 HydrophobicContact CG2-CB 4.47Å; I32-K100 CarbonylContact O-C 3.42Å; I32-K100 WeakPolarHBondContact O-CA 3.47Å; K100-L103 HydrophobicContact CD-CD1 3.94Å; K100-L103 HydrophobicContact CD-CG 4.4Å; K100-N115 PolarHBondContact NZ-ND2 3.04Å; K100-L118 HydrophobicContact CD-CD1 4.07Å; K100-L334 HydrophobicContact CB-CD1 4.31Å; K100-L334 HydrophobicContact CD-CD2 4.16Å; K100-L334 HydrophobicContact CG-CD1 4.16Å; K100-L334 HydrophobicContact CG-CD2 4.5Å; K100-L334 HydrophobicContact CG-CG 4.35Å; K100-F335 PolarHBondContact N-O 3.12Å; K100-E336 HydrophobicContact CD-CB 4.25Å; K100-E336 WeakPolarHBondContact CE-OE2 3.23Å; K100-E336 HydrophobicContact CG-CB 3.63Å; K100-E336 IonicContact NZ-OE2 3.55Å; K100-E336 PolarHBondContact NZ-OE2 2.76Å; K100-E336 WeakPolarHBondContact O-CA 3.47Å; K100-A337 PolarHBondContact O-N 3.47Å
101G98.5Very high86.8Confident0 Ų039.1 Ų39.10%026%0.257CS..  trans-68.7-175.9160.700000113.7I32I32-G101 PolarHBondContact O-N 3.18Å
102P97.4Very high85.6Confident2 Ų245.5 Ų45.51%0.01328%0.28CS..  trans-69.5148.7175.931.6-35.7000110.5G34 D35 I37 H339 T341G34-P102 CarbonylContact C-O 3.59Å; G34-P102 WeakPolarHBondContact CA-O 3.2Å; D35-P102 PolarHBondContact N-O 3.15Å; I37-P102 HydrophobicContact CG1-CG 4.11Å; P102-H339 WeakPolarHBondContact CB-O 3.28Å; P102-T341 HydrophobicContact CB-CG2 3.88Å; P102-T341 HydrophobicContact CG-CG2 4.26Å
103L96.7Very high85Confident12 Ų1247.1 Ų47.16%0.06329%0.291CS..  trans-122141.4177.9-63.8174.1000110.2I32 T70 K100 L114 L118 T341I32-L103 HydrophobicContact CG2-CD2 4.11Å; T70-L103 HydrophobicContact CG2-CD1 3.78Å; T70-L103 HydrophobicContact CG2-CD2 4.28Å; K100-L103 HydrophobicContact CD-CD1 3.94Å; K100-L103 HydrophobicContact CD-CG 4.4Å; L103-L114 HydrophobicContact CD1-CB 4.26Å; L103-L118 HydrophobicContact CD1-CD1 3.71Å; L103-T341 VanDerWaalsContact C-CG2 3.48Å
104T89.1Confident84.8Confident43 Ų4343.3 Ų43.326%0.26428%0.277SS..  trans-78.8128.6173.4-62.30000108.5D35 P106 L114 T341D35-T104 WeakPolarHBondContact CB-OG1 3.4Å; D35-T104 WeakPolarHBondContact OD2-CB 3.44Å; D35-T104 PolarHBondContact OD2-N 2.91Å; D35-T104 PolarHBondContact OD2-OG1 3.14Å; T104-P106 WeakPolarHBondContact O-CD 3.23Å; T104-L114 WeakPolarHBondContact O-CD1 3.23Å; T104-T341 WeakPolarHBondContact OG1-CG2 3.26Å
105T74.7Confident84.5Confident54 Ų5440.8 Ų40.833%0.33127%0.266SS..  trans-91.9112.9164.2-61.90000107.9V107 S113T105-V107 PolarHBondContact O-N 2.94Å; T105-S113 PolarHBondContact OG1-OG 2.82Å
106P71.6Confident83.9Confident26 Ų2641.2 Ų41.217%0.16927%0.27CS..  trans-62.1130.2-179.322.2-30.3000110.8W83 T104 I111W83-P106 HydrophobicContact CD2-CG 4.5Å; W83-P106 HydrophobicContact CE3-CG 4.48Å; W83-P106 HydrophobicContact CH2-CB 4.31Å; W83-P106 HydrophobicContact CH2-CG 4.44Å; W83-P106 HydrophobicContact CZ2-CB 4.4Å; W83-P106 HydrophobicContact CZ2-CG 4.45Å; W83-P106 HydrophobicContact CZ3-CG 4.45Å; T104-P106 WeakPolarHBondContact O-CD 3.23Å; P106-I111 HydrophobicContact CG-CB 4.16Å; P106-I111 HydrophobicContact CG-CD1 3.93Å; P106-I111 HydrophobicContact CG-CG2 4.28Å
107V68.8Low83.6Confident151 Ų15140 Ų4092%0.91527%0.27SS*.SBendtrans-83130178.7-178.20000109.6T105T105-V107 PolarHBondContact O-N 2.94Å
108G56.6Low83.4Confident82 Ų8240 Ų4085%0.84527%0.27SS*.SBendtrans92.81.8166.900000117.1
109G57.7Low83.1Confident57 Ų5741 Ų4159%0.58827%0.274SS*.SBendtrans-97.43.5-178.200000116.4I111G109-I111 PolarHBondContact O-N 2.82Å
110G61.4Low82.6Confident79 Ų7943.9 Ų43.981%0.81429%0.287SS*.SBendtrans70.62.6-170.600000114.4R112G110-R112 PolarHBondContact O-N 2.79Å
111I63.2Low82.4Confident70 Ų7049.6 Ų49.636%0.35931%0.314SS..  trans-77.2117.2175.6-56.7178.7000108.1P106 G109 L114P106-I111 HydrophobicContact CG-CB 4.16Å; P106-I111 HydrophobicContact CG-CD1 3.93Å; P106-I111 HydrophobicContact CG-CG2 4.28Å; G109-I111 PolarHBondContact O-N 2.82Å; I111-L114 HydrophobicContact CG2-CD2 4.49Å
112R74.3Confident82.4Confident148 Ų14849.9 Ų49.956%0.55832%0.316SS*.  trans-64.7154.5169.3-65.4-179.7179.4177.7-1.6109.3G110 L114 A161 G162G110-R112 PolarHBondContact O-N 2.79Å; R112-L114 PolarHBondContact O-N 2.87Å; R112-A161 PolarHBondContact NH1-O 3.2Å; R112-G162 PolarHBondContact NH2-O 3.02Å
113S86.7Confident82.4Confident35 Ų3553 Ų5325%0.24533%0.333CS..  trans-44.7127.7-178.3173.30000113T105 N115 V116 A117T105-S113 PolarHBondContact OG1-OG 2.82Å; S113-N115 PolarHBondContact O-N 3.33Å; S113-N115 PolarHBondContact OG-N 3.16Å; S113-V116 PolarHBondContact O-N 2.93Å; S113-A117 PolarHBondContact O-N 3.07Å
114L92.4Very high82.4Confident5 Ų552.5 Ų52.53%0.02633%0.33CS..Hα-helixtrans-60-34.7177.6-69179.4000111.8T70 W83 L84 L103 T104 I111 R112 A117 L118T70-L114 HydrophobicContact CG2-CD1 4.32Å; W83-L114 HydrophobicContact CB-CD1 4.47Å; W83-L114 HydrophobicContact CB-CD2 4.13Å; W83-L114 HydrophobicContact CE3-CD1 4.17Å; L84-L114 HydrophobicContact CB-CD2 4.24Å; L103-L114 HydrophobicContact CD1-CB 4.26Å; T104-L114 WeakPolarHBondContact O-CD1 3.23Å; I111-L114 HydrophobicContact CG2-CD2 4.49Å; R112-L114 PolarHBondContact O-N 2.87Å; L114-A117 PolarHBondContact O-N 3.32Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 2.8Å
115N92Very high82.8Confident26 Ų2651.4 Ų51.414%0.13932%0.321CS..Hα-helixtrans-61.7-46.1173.4-58.570.1000110.9K100 S113 L118 R119 E336K100-N115 PolarHBondContact NZ-ND2 3.04Å; S113-N115 PolarHBondContact O-N 3.33Å; S113-N115 PolarHBondContact OG-N 3.16Å; N115-L118 PolarHBondContact O-N 3.12Å; N115-R119 VanDerWaalsContact O-CD 3.25Å; N115-R119 WeakPolarHBondContact O-CD 3.34Å; N115-R119 WeakPolarHBondContact O-CG 3.33Å; N115-R119 PolarHBondContact O-N 3.14Å; N115-R119 VanDerWaalsContact O-N 3.08Å; N115-E336 PolarHBondContact ND2-OE2 3Å; N115-E336 VanDerWaalsContact ND2-OE2 3.14Å
116V87.4Confident84Confident23 Ų2349.2 Ų49.214%0.13931%0.307CS..Hα-helixtrans-65.4-41.8177.9177.40000110.8S113 R119 Q120S113-V116 PolarHBondContact O-N 2.93Å; V116-R119 PolarHBondContact O-N 3.18Å; V116-Q120 HydrophobicContact CG1-CG 4.17Å; V116-Q120 WeakPolarHBondContact O-CB 3.45Å; V116-Q120 WeakPolarHBondContact O-CG 3.22Å; V116-Q120 PolarHBondContact O-N 2.98Å
117A90.9Very high85.2Confident22 Ų2248 Ų4818%0.18230%0.299CS..Hα-helixtrans-59.9-47.6176.300000111.9L84 S113 L114 R119 Q120 E121L84-A117 HydrophobicContact CD2-CB 4Å; S113-A117 PolarHBondContact O-N 3.07Å; L114-A117 PolarHBondContact O-N 3.32Å; A117-R119 VanDerWaalsContact C-N 3.31Å; A117-R119 PolarHBondContact O-N 3.44Å; A117-Q120 PolarHBondContact O-N 3.42Å; A117-E121 VanDerWaalsContact O-CB 3.3Å; A117-E121 WeakPolarHBondContact O-CB 3.39Å; A117-E121 VanDerWaalsContact O-CG 3.28Å; A117-E121 WeakPolarHBondContact O-CG 3.45Å; A117-E121 PolarHBondContact O-N 3.45Å
118L95.1Very high86.7Confident1 Ų141.6 Ų41.61%0.00526%0.259CS..Hα-helixtrans-56.4-45.7174.5-77.8166.4000111.6T70 L84 L89 I92 K100 L103 L114 N115 L122 L334T70-L118 HydrophobicContact CG2-CD1 4.39Å; L84-L118 HydrophobicContact CD1-CD2 3.69Å; L84-L118 HydrophobicContact CD1-CG 4.24Å; L89-L118 HydrophobicContact CD2-CD2 3.88Å; I92-L118 HydrophobicContact CD1-CD2 4.15Å; K100-L118 HydrophobicContact CD-CD1 4.07Å; L103-L118 HydrophobicContact CD1-CD1 3.71Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 2.8Å; N115-L118 PolarHBondContact O-N 3.12Å; L118-L122 HydrophobicContact CD2-CD1 4.36Å; L118-L122 VanDerWaalsContact O-CB 3.23Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 WeakPolarHBondContact O-CD1 3.44Å; L118-L122 WeakPolarHBondContact O-CG 3.31Å; L118-L122 PolarHBondContact O-N 3.31Å; L118-L334 HydrophobicContact CB-CD2 4.25Å; L118-L334 HydrophobicContact CD1-CD2 4.16Å
119R93Very high88.6Confident21 Ų2138.8 Ų38.88%0.07922%0.224CC..Hα-helixtrans-63.3-45.4-180-67158.5179.7167.67.6112.1N115 V116 A117 D123 L124 N155 N327 E336N115-R119 VanDerWaalsContact O-CD 3.25Å; N115-R119 WeakPolarHBondContact O-CD 3.34Å; N115-R119 WeakPolarHBondContact O-CG 3.33Å; N115-R119 PolarHBondContact O-N 3.14Å; N115-R119 VanDerWaalsContact O-N 3.08Å; V116-R119 PolarHBondContact O-N 3.18Å; A117-R119 VanDerWaalsContact C-N 3.31Å; A117-R119 PolarHBondContact O-N 3.44Å; R119-D123 PolarHBondContact O-N 3.36Å; R119-L124 PolarHBondContact O-N 3.2Å; R119-N155 VanDerWaalsContact CD-ND2 3.34Å; R119-N155 WeakPolarHBondContact CD-ND2 3.42Å; R119-N155 WeakPolarHBondContact CD-OD1 3.31Å; R119-N155 VanDerWaalsContact CG-ND2 3.34Å; R119-N155 WeakPolarHBondContact CG-ND2 3.36Å; R119-N327 WeakPolarHBondContact CD-OD1 3.47Å; R119-N327 HydrophobicContact CG-CB 4.18Å; R119-N327 WeakPolarHBondContact CG-OD1 3.31Å; R119-N327 PolarHBondContact NE-OD1 3.43Å; R119-E336 IonicContact CZ-OE1 3.58Å; R119-E336 IonicContact NE-OE1 2.97Å; R119-E336 IonicContact NH2-OE1 2.74Å; R119-E336 PolarHBondContact NH2-OE1 2.9Å; R119-E336 IonicContact NH2-OE2 3.55Å
120Q89.2Confident90.5Very high62 Ų6237.5 Ų37.529%0.2921%0.205SC..Hα-helixtrans-73.8-47.1-176.4-71.8177.9-16.200112.5V116 A117 L122 D123V116-Q120 HydrophobicContact CG1-CG 4.17Å; V116-Q120 WeakPolarHBondContact O-CB 3.45Å; V116-Q120 WeakPolarHBondContact O-CG 3.22Å; V116-Q120 PolarHBondContact O-N 2.98Å; A117-Q120 PolarHBondContact O-N 3.42Å; Q120-L122 PolarHBondContact O-N 3.13Å; Q120-D123 PolarHBondContact O-N 2.9Å; Q120-D123 VanDerWaalsContact O-N 3.09Å
121E94.3Very high92.2Very high122 Ų12234.1 Ų34.157%0.5717%0.168SC*.Hα-helixtrans-69.5-21.2-178.3-65.6-66.7148.500113.2L89 R93 A117L89-E121 HydrophobicContact CD1-CB 4.06Å; L89-E121 HydrophobicContact CD1-CG 4.44Å; L89-E121 HydrophobicContact CD2-CB 4.14Å; R93-E121 PolarHBondContact NH2-O 3.2Å; A117-E121 VanDerWaalsContact O-CB 3.3Å; A117-E121 WeakPolarHBondContact O-CB 3.39Å; A117-E121 VanDerWaalsContact O-CG 3.28Å; A117-E121 WeakPolarHBondContact O-CG 3.45Å; A117-E121 PolarHBondContact O-N 3.45Å
122L97Very high93.8Very high7 Ų735.6 Ų35.64%0.03717%0.169CC..THydrogen-bonded Turntrans-98.4-1173.8-65.6166.9000113.3L89 I92 R93 L118 Q120 L124L89-L122 HydrophobicContact CB-CD2 4.33Å; L89-L122 HydrophobicContact CD2-CD1 4.28Å; L89-L122 HydrophobicContact CD2-CD2 4.39Å; L89-L122 HydrophobicContact CD2-CG 4.06Å; L89-L122 WeakPolarHBondContact O-CD2 3.32Å; I92-L122 HydrophobicContact CB-CD1 4.13Å; I92-L122 HydrophobicContact CB-CD2 4.42Å; I92-L122 HydrophobicContact CD1-CD1 3.99Å; I92-L122 HydrophobicContact CG2-CD1 3.73Å; I92-L122 HydrophobicContact CG2-CD2 4.36Å; R93-L122 HydrophobicContact CB-CD2 4.32Å; L118-L122 HydrophobicContact CD2-CD1 4.36Å; L118-L122 VanDerWaalsContact O-CB 3.23Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 WeakPolarHBondContact O-CD1 3.44Å; L118-L122 WeakPolarHBondContact O-CG 3.31Å; L118-L122 PolarHBondContact O-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.13Å; L122-L124 HydrophobicContact CB-CD1 3.98Å; L122-L124 HydrophobicContact CB-CD2 4.07Å; L122-L124 HydrophobicContact CB-CG 3.63Å; L122-L124 HydrophobicContact CD1-CD1 4.04Å; L122-L124 PolarHBondContact O-N 2.92Å
123D97.4Very high95Very high68 Ų6830.8 Ų30.836%0.36415%0.152SC..THydrogen-bonded Turntrans45.646.3-170.8-164.932.6000113R119 Q120 Y125 R208R119-D123 PolarHBondContact O-N 3.36Å; Q120-D123 PolarHBondContact O-N 2.9Å; Q120-D123 VanDerWaalsContact O-N 3.09Å; D123-Y125 WeakPolarHBondContact O-CD1 3.27Å; D123-Y125 PolarHBondContact O-N 3.24Å; D123-R208 IonicContact OD1-CZ 3.38Å; D123-R208 IonicContact OD1-NH1 3.15Å; D123-R208 PolarHBondContact OD1-NH1 2.81Å; D123-R208 IonicContact OD1-NH2 2.9Å; D123-R208 PolarHBondContact OD1-NH2 3.37Å; D123-R208 IonicContact OD2-CZ 2.79Å; D123-R208 IonicContact OD2-NH1 2.76Å; D123-R208 PolarHBondContact OD2-NH1 2.82Å; D123-R208 IonicContact OD2-NH2 3.94Å
124L98.1Very high95.4Very high1 Ų129.8 Ų29.81%0.00514%0.142CC..  trans-8067.6176.3-56.2176.6000110.2R119 L122 I126 N155 N327 I328 C332 L334R119-L124 PolarHBondContact O-N 3.2Å; L122-L124 HydrophobicContact CB-CD1 3.98Å; L122-L124 HydrophobicContact CB-CD2 4.07Å; L122-L124 HydrophobicContact CB-CG 3.63Å; L122-L124 HydrophobicContact CD1-CD1 4.04Å; L122-L124 PolarHBondContact O-N 2.92Å; L124-I126 PolarHBondContact O-N 3.46Å; L124-N155 VanDerWaalsContact O-CB 3.3Å; L124-N155 WeakPolarHBondContact O-CB 3.31Å; L124-N155 PolarHBondContact O-ND2 3.36Å; L124-N327 HydrophobicContact CB-CB 3.75Å; L124-N327 HydrophobicContact CD1-CB 3.72Å; L124-N327 HydrophobicContact CG-CB 4.35Å; L124-I328 CarbonylContact C-O 3.37Å; L124-I328 VanDerWaalsContact C-O 3.3Å; L124-C332 WeakPolarHBondContact CD2-O 3.31Å; L124-L334 HydrophobicContact CD1-CB 3.68Å; L124-L334 HydrophobicContact CD1-CD2 4.3Å
125Y98.1Very high95.5Very high20 Ų2035.4 Ų35.48%0.07817%0.168CC..  trans-68.8-12.2-167.266.8-95.6000115.3D123 N155 R208 I328 D330D123-Y125 WeakPolarHBondContact O-CD1 3.27Å; D123-Y125 PolarHBondContact O-N 3.24Å; Y125-N155 WeakPolarHBondContact O-CB 3.39Å; Y125-N155 PolarHBondContact O-N 2.92Å; Y125-R208 VanDerWaalsContact CB-NH2 3.3Å; Y125-R208 HydrophobicContact CD2-CB 4.27Å; Y125-R208 HydrophobicContact CD2-CG 3.56Å; Y125-R208 HydrophobicContact CE2-CB 3.85Å; Y125-R208 HydrophobicContact CE2-CG 3.68Å; Y125-R208 HydrophobicContact CG-CG 4.19Å; Y125-I328 PolarHBondContact N-O 3.35Å; Y125-D330 PolarHBondContact OH-OD1 3.36Å
126I98.5Very high95.6Very high8 Ų835.3 Ų35.34%0.04117%0.174CC..EExtended strand (participates in β ladder)trans-105.4118.2174.3-51170000109L124 L128 F152 L209 A212 N327 I328L124-I126 PolarHBondContact O-N 3.46Å; I126-L128 HydrophobicContact CG2-CB 4.28Å; I126-F152 HydrophobicContact CG2-CD1 3.63Å; I126-F152 HydrophobicContact CG2-CE1 4.03Å; I126-L209 HydrophobicContact CB-CD1 4.47Å; I126-L209 HydrophobicContact CG1-CD1 4.31Å; I126-L209 HydrophobicContact CG2-CD1 4.28Å; I126-A212 HydrophobicContact CD1-CB 3.37Å; I126-A212 HydrophobicContact CG1-CB 4.31Å; I126-N327 CarbonylContact O-C 3.48Å; I126-N327 WeakPolarHBondContact O-CA 3.35Å; I126-I328 HydrophobicContact CB-CB 4.23Å; I126-I328 WeakPolarHBondContact CB-O 3.45Å; I126-I328 HydrophobicContact CD1-CB 4.49Å; I126-I328 PolarHBondContact N-O 3.24Å; I126-I328 PolarHBondContact O-N 3.44Å
127C98.2Very high96.1Very high0 Ų034.4 Ų34.40%017%0.168CC..EExtended strand (participates in β ladder)trans-94.7108.4159.2179.60000108.5R153 N155 A326C127-R153 HydrophobicContact CB-CB 3.9Å; C127-R153 HydrophobicContact CB-CG 4.03Å; C127-R153 PolarHBondContact N-O 3.41Å; C127-R153 PolarHBondContact O-N 3.19Å; C127-N155 HydrophobicContact CB-CB 4.15Å; C127-A326 CarbonylContact C-O 3.09Å; C127-A326 WeakPolarHBondContact CA-O 3.34Å
128L98.5Very high96.3Very high16 Ų1634.6 Ų34.68%0.08417%0.168CC..EExtended strand (participates in β ladder)trans-98.9119.4-179.2-175.563.6000109.8I126 V150 I151 F152 A326 I328 M362I126-L128 HydrophobicContact CG2-CB 4.28Å; L128-V150 HydrophobicContact CD1-CG1 3.44Å; L128-V150 VanDerWaalsContact CD1-CG1 3.44Å; L128-V150 HydrophobicContact CG-CG1 4.44Å; L128-I151 CarbonylContact C-O 3.35Å; L128-I151 WeakPolarHBondContact CA-O 3.29Å; L128-F152 HydrophobicContact CD1-CD1 4.22Å; L128-F152 HydrophobicContact CD1-CD2 3.76Å; L128-F152 HydrophobicContact CD1-CE1 3.87Å; L128-F152 HydrophobicContact CD1-CE2 3.38Å; L128-F152 HydrophobicContact CD1-CG 4.15Å; L128-F152 HydrophobicContact CD1-CZ 3.42Å; L128-F152 VanDerWaalsContact CD1-CZ 3.42Å; L128-A326 HydrophobicContact CB-CB 4.38Å; L128-A326 PolarHBondContact N-O 3.23Å; L128-A326 PolarHBondContact O-N 3.29Å; L128-I328 HydrophobicContact CB-CD1 4.26Å; L128-I328 HydrophobicContact CD2-CD1 3.99Å; L128-M362 HydrophobicContact CB-CE 4.15Å; L128-M362 HydrophobicContact CD2-CE 3.72Å; L128-M362 HydrophobicContact CG-CE 3.77Å
129R97.8Very high96.5Very high24 Ų2436.3 Ų36.39%0.09118%0.18CC..EExtended strand (participates in β ladder)trans-130.393.3178.3-69.9-175.7175.6-166.4-6.6110.5I151 S310 D311R129-I151 HydrophobicContact CB-CB 4.32Å; R129-I151 PolarHBondContact N-O 3.5Å; R129-I151 WeakPolarHBondContact O-CB 3.49Å; R129-I151 WeakPolarHBondContact O-CG1 3.45Å; R129-I151 PolarHBondContact O-N 3.3Å; R129-S310 VanDerWaalsContact CD-OG 3.27Å; R129-S310 WeakPolarHBondContact CD-OG 3.38Å; R129-S310 PolarHBondContact NH1-OG 3.45Å; R129-D311 IonicContact NH1-OD1 2.71Å; R129-D311 PolarHBondContact NH1-OD1 3Å
130P97.3Very high96.7Very high29 Ų2940.2 Ų40.219%0.18821%0.208CC..EExtended strand (participates in β ladder)trans-72134.3170.228.7-29.7000110V150 P324 M362P130-V150 HydrophobicContact CB-CG1 4.46Å; P130-V150 HydrophobicContact CB-CG2 4.25Å; P130-P324 HydrophobicContact CG-CG 3.86Å; P130-M362 VanDerWaalsContact CD-CE 3.45Å; P130-M362 WeakPolarHBondContact CD-SD 3.2Å; P130-M362 HydrophobicContact CG-CE 3.85Å; P130-M362 HydrophobicContact CG-CG 4.13Å; P130-M362 HydrophobicContact CG-SD 3.57Å; P130-M362 VanDerWaalsContact CG-SD 3.57Å
131V97.8Very high97.1Very high9 Ų939.4 Ų39.46%0.05521%0.207CC..EExtended strand (participates in β ladder)trans-127.9107.8-180-176.50000108.9T147 M149 L313 V317V131-T147 HydrophobicContact CG1-CG2 4.48Å; V131-M149 PolarHBondContact N-O 2.9Å; V131-M149 PolarHBondContact O-N 2.91Å; V131-L313 HydrophobicContact CB-CB 4.19Å; V131-L313 HydrophobicContact CG1-CB 3.85Å; V131-L313 HydrophobicContact CG2-CB 4.08Å; V131-V317 HydrophobicContact CG1-CB 4.5Å; V131-V317 HydrophobicContact CG1-CG1 3.98Å; V131-V317 HydrophobicContact CG1-CG2 3.68Å
132R96.7Very high97.3Very high100 Ų10042.6 Ų42.638%0.37722%0.219SC..EExtended strand (participates in β ladder)trans-129.1152.917566.7-178.5-77.8165.6-9.1110.7Y134 T147 E381R132-Y134 HydrophobicContact CG-CD2 4.25Å; R132-Y134 HydrophobicContact CG-CE2 3.65Å; R132-T147 WeakPolarHBondContact CA-O 3.4Å; R132-E381 IonicContact CZ-OE1 2.71Å; R132-E381 IonicContact NH2-OE1 3.71Å; R132-E381 PolarHBondContact NH2-OE1 3.24Å
133Y97.8Very high97.4Very high48 Ų4847.4 Ų47.419%0.18824%0.241CC..PPolyproline II helixtrans-78136.1170-179-115.1000111.4G136 T137 P144 E145 T147 V317Y133-G136 PolarHBondContact OH-N 3.11Å; Y133-T137 VanDerWaalsContact CE2-O 3.28Å; Y133-T137 WeakPolarHBondContact CE2-O 3.36Å; Y133-T137 PolarHBondContact OH-N 2.89Å; Y133-T137 PolarHBondContact OH-O 2.84Å; Y133-P144 WeakPolarHBondContact CB-O 3.43Å; Y133-P144 HydrophobicContact CD1-CG 4.25Å; Y133-P144 HydrophobicContact CD2-CB 3.54Å; Y133-P144 HydrophobicContact CD2-CG 3.72Å; Y133-P144 HydrophobicContact CE1-CG 4.11Å; Y133-P144 HydrophobicContact CE2-CB 3.87Å; Y133-P144 HydrophobicContact CE2-CG 3.54Å; Y133-P144 HydrophobicContact CG-CB 3.9Å; Y133-P144 HydrophobicContact CG-CG 4.07Å; Y133-E145 HydrophobicContact CD1-CB 3.92Å; Y133-E145 HydrophobicContact CE1-CB 4.45Å; Y133-T147 PolarHBondContact N-O 2.9Å; Y133-V317 HydrophobicContact CD2-CB 4.43Å
134Y96.4Very high97.4Very high13 Ų1344.5 Ų44.55%0.05123%0.226CC..PPolyproline II helixtrans-103.4123.4168.7-74.5-98.3000108.6R132 G136 T137 I322 L358 V377 M380 E381 I384R132-Y134 HydrophobicContact CG-CD2 4.25Å; R132-Y134 HydrophobicContact CG-CE2 3.65Å; Y134-G136 PolarHBondContact O-N 3.3Å; Y134-T137 VanDerWaalsContact O-CB 3.26Å; Y134-T137 WeakPolarHBondContact O-CB 3.41Å; Y134-T137 PolarHBondContact O-N 3Å; Y134-T137 PolarHBondContact O-OG1 3.32Å; Y134-I322 HydrophobicContact CD2-CD1 3.96Å; Y134-L358 HydrophobicContact CE1-CD2 4.39Å; Y134-L358 HydrophobicContact CE2-CD1 3.68Å; Y134-L358 WeakPolarHBondContact OH-CD2 3.27Å; Y134-V377 HydrophobicContact CE1-CG1 4.26Å; Y134-M380 HydrophobicContact CD1-CB 4.23Å; Y134-M380 HydrophobicContact CD1-CG 3.8Å; Y134-M380 HydrophobicContact CE1-CB 3.99Å; Y134-M380 HydrophobicContact CE1-CG 3.79Å; Y134-M380 HydrophobicContact CG-CG 4.47Å; Y134-E381 HydrophobicContact CD1-CG 3.49Å; Y134-E381 VanDerWaalsContact CD1-CG 3.49Å; Y134-E381 HydrophobicContact CE1-CG 3.92Å; Y134-I384 HydrophobicContact CG-CD1 4.4Å
135Q94.4Very high97.4Very high123 Ų12349.4 Ų49.458%0.57525%0.249SC*.THydrogen-bonded Turntrans-53.9127.7-174.4-173.9178.75.900111.7I384Q135-I384 WeakPolarHBondContact O-CG2 3.08Å
136G93.8Very high97.4Very high25 Ų2552.5 Ų52.526%0.25827%0.266SS..THydrogen-bonded Turntrans95.9-11.9-17900000114.1Y133 Y134 M397Y133-G136 PolarHBondContact OH-N 3.11Å; Y134-G136 PolarHBondContact O-N 3.3Å; G136-M397 WeakPolarHBondContact O-CE 3.27Å
137T97.1Very high97.4Very high3 Ų352.2 Ų52.22%0.01827%0.265CS..  trans-61.9129.7174.2-54.80000110Y133 Y134 S139 G318 F393Y133-T137 VanDerWaalsContact CE2-O 3.28Å; Y133-T137 WeakPolarHBondContact CE2-O 3.36Å; Y133-T137 PolarHBondContact OH-N 2.89Å; Y133-T137 PolarHBondContact OH-O 2.84Å; Y134-T137 VanDerWaalsContact O-CB 3.26Å; Y134-T137 WeakPolarHBondContact O-CB 3.41Å; Y134-T137 PolarHBondContact O-N 3Å; Y134-T137 PolarHBondContact O-OG1 3.32Å; T137-S139 PolarHBondContact O-N 3.28Å; T137-G318 WeakPolarHBondContact CG2-O 3.44Å; T137-F393 HydrophobicContact CG2-CE1 3.87Å; T137-F393 HydrophobicContact CG2-CE2 4.34Å; T137-F393 HydrophobicContact CG2-CZ 3.7Å
138P96.7Very high97.4Very high26 Ų2655.7 Ų55.717%0.16928%0.284CS..  trans-64.4124.2174.4-22.935.3000111G318 L396 M397P138-G318 VanDerWaalsContact O-CA 3.25Å; P138-G318 WeakPolarHBondContact O-CA 3.26Å; P138-L396 HydrophobicContact CB-CB 3.63Å; P138-L396 HydrophobicContact CB-CD1 4.06Å; P138-L396 HydrophobicContact CG-CB 3.81Å; P138-M397 HydrophobicContact CG-CG 3.33Å; P138-M397 HydrophobicContact CG-SD 3.88Å
139S97.6Very high97.4Very high37 Ų3754.9 Ų54.926%0.25928%0.28SS..  trans-123.5145.4-177.3168.80000111.7T137 V141 Q316T137-S139 PolarHBondContact O-N 3.28Å; S139-V141 VanDerWaalsContact C-N 3.28Å; S139-V141 WeakPolarHBondContact OG-CG2 3.47Å; S139-V141 PolarHBondContact OG-N 3.29Å; S139-V141 PolarHBondContact OG-O 3.47Å; S139-Q316 PolarHBondContact OG-O 2.8Å
140P97.9Very high97.5Very high104 Ų10453.9 Ų53.968%0.67528%0.276SS*.SBendtrans-77.4-9.3171.932.9-36.2000113.8A315P140-A315 WeakPolarHBondContact CD-O 3.23Å; P140-A315 WeakPolarHBondContact CG-O 3.28Å
141V98.2Very high97.5Very high45 Ų4552.6 Ų52.627%0.27327%0.267SS..SBendtrans-108.5160.9-179.6-53.40000111.8S139 P144 L290 Q316S139-V141 VanDerWaalsContact C-N 3.28Å; S139-V141 WeakPolarHBondContact OG-CG2 3.47Å; S139-V141 PolarHBondContact OG-N 3.29Å; S139-V141 PolarHBondContact OG-O 3.47Å; V141-P144 HydrophobicContact CG2-CB 3.98Å; V141-L290 HydrophobicContact CG1-CD2 3.78Å; V141-Q316 HydrophobicContact CG1-CB 4.02Å; V141-Q316 HydrophobicContact CG2-CB 4.4Å; V141-Q316 WeakPolarHBondContact CG2-O 3.41Å
142K98.2Very high97.6Very high189 Ų18952.4 Ų52.482%0.82227%0.266SS*.SBendtrans-72.9-34.9-174.7-70.1179.8176.9178.80114.2
143H98.3Very high97.7Very high107 Ų10747.8 Ų47.850%0.49525%0.249SC..  trans-133.661.4-172.4-67.1-66.9000111.7E145 L146H143-E145 WeakPolarHBondContact CA-OE2 3.46Å; H143-E145 WeakPolarHBondContact CB-OE1 3.45Å; H143-E145 IonicContact CG-OE1 3.76Å; H143-E145 IonicContact ND1-OE1 3.35Å; H143-E145 PolarHBondContact ND1-OE1 3.48Å; H143-E145 PolarHBondContact O-N 2.94Å; H143-L146 HydrophobicContact CB-CD1 3.9Å; H143-L146 HydrophobicContact CB-CG 4.14Å; H143-L146 PolarHBondContact O-N 2.8Å
144P98.3Very high97.7Very high7 Ų745.5 Ų45.55%0.04524%0.24CC..G310 helixtrans-63.1-26.1179.630.4-38.4000112.9Y133 V141 L146 T147Y133-P144 WeakPolarHBondContact CB-O 3.43Å; Y133-P144 HydrophobicContact CD1-CG 4.25Å; Y133-P144 HydrophobicContact CD2-CB 3.54Å; Y133-P144 HydrophobicContact CD2-CG 3.72Å; Y133-P144 HydrophobicContact CE1-CG 4.11Å; Y133-P144 HydrophobicContact CE2-CB 3.87Å; Y133-P144 HydrophobicContact CE2-CG 3.54Å; Y133-P144 HydrophobicContact CG-CB 3.9Å; Y133-P144 HydrophobicContact CG-CG 4.07Å; V141-P144 HydrophobicContact CG2-CB 3.98Å; P144-L146 PolarHBondContact O-N 2.91Å; P144-L146 VanDerWaalsContact O-N 3.1Å; P144-T147 WeakPolarHBondContact O-CB 3.47Å; P144-T147 PolarHBondContact O-N 2.81Å; P144-T147 PolarHBondContact O-OG1 3.46Å
145E98.1Very high97.7Very high104 Ų10445.1 Ų45.149%0.48624%0.239SC..G310 helixtrans-60.4-17.4178.270.7-77.8-178.900114.2Y133 H143 T147Y133-E145 HydrophobicContact CD1-CB 3.92Å; Y133-E145 HydrophobicContact CE1-CB 4.45Å; H143-E145 WeakPolarHBondContact CA-OE2 3.46Å; H143-E145 WeakPolarHBondContact CB-OE1 3.45Å; H143-E145 IonicContact CG-OE1 3.76Å; H143-E145 IonicContact ND1-OE1 3.35Å; H143-E145 PolarHBondContact ND1-OE1 3.48Å; H143-E145 PolarHBondContact O-N 2.94Å; E145-T147 PolarHBondContact O-N 3.09Å
146L98.5Very high97.6Very high85 Ų8540.8 Ų40.845%0.44522%0.222SC..G310 helixtrans-81.1-2.4174.3-62.9-178000113.3H143 P144 P293 A294H143-L146 HydrophobicContact CB-CD1 3.9Å; H143-L146 HydrophobicContact CB-CG 4.14Å; H143-L146 PolarHBondContact O-N 2.8Å; P144-L146 PolarHBondContact O-N 2.91Å; P144-L146 VanDerWaalsContact O-N 3.1Å; L146-P293 HydrophobicContact CB-CB 4.42Å; L146-P293 HydrophobicContact CB-CG 3.76Å; L146-P293 CarbonylContact O-C 3.28Å; L146-A294 HydrophobicContact CB-CB 4.43Å; L146-A294 PolarHBondContact O-N 2.7Å
147T98.6Very high97.7Very high2 Ų240.2 Ų40.21%0.01221%0.212CC..  trans-100.5106.7179.4-50.50000110.3V131 R132 Y133 P144 E145 M149 L313 Q316 V317V131-T147 HydrophobicContact CG1-CG2 4.48Å; R132-T147 WeakPolarHBondContact CA-O 3.4Å; Y133-T147 PolarHBondContact N-O 2.9Å; P144-T147 WeakPolarHBondContact O-CB 3.47Å; P144-T147 PolarHBondContact O-N 2.81Å; P144-T147 PolarHBondContact O-OG1 3.46Å; E145-T147 PolarHBondContact O-N 3.09Å; T147-M149 HydrophobicContact CG2-CE 4.39Å; T147-M149 HydrophobicContact CG2-CG 4.39Å; T147-L313 HydrophobicContact CG2-CD2 4.06Å; T147-Q316 PolarHBondContact OG1-NE2 3.17Å; T147-V317 HydrophobicContact CG2-CG1 3.65Å
148D98.1Very high97.7Very high73 Ų7340 Ų4039%0.3921%0.211SC..EExtended strand (participates in β ladder)trans-135.689.9165.8177.19.6000107.7R222D148-R222 VanDerWaalsContact CG-NH2 3.31Å; D148-R222 IonicContact OD1-CZ 2.94Å; D148-R222 IonicContact OD1-NH1 3.64Å; D148-R222 IonicContact OD1-NH2 3.95Å; D148-R222 PolarHBondContact OD1-NH2 3.4Å; D148-R222 IonicContact OD2-CZ 3.98Å; D148-R222 IonicContact OD2-NH1 3.42Å; D148-R222 IonicContact OD2-NH2 3.86Å; D148-R222 PolarHBondContact OD2-NH2 3.33Å
149M98.6Very high97.7Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-123.7149.9-175.9-61-174.5-164.700111.4V131 T147 I151 I289 P293 Y296 D297 L313V131-M149 PolarHBondContact N-O 2.9Å; V131-M149 PolarHBondContact O-N 2.91Å; T147-M149 HydrophobicContact CG2-CE 4.39Å; T147-M149 HydrophobicContact CG2-CG 4.39Å; M149-I151 HydrophobicContact CB-CD1 4.29Å; M149-I289 HydrophobicContact CE-CB 4.4Å; M149-I289 HydrophobicContact CE-CG2 4.1Å; M149-I289 HydrophobicContact SD-CG2 4.13Å; M149-P293 HydrophobicContact CE-CB 3.91Å; M149-P293 WeakPolarHBondContact CE-O 3.26Å; M149-Y296 HydrophobicContact CE-CD2 4.32Å; M149-Y296 HydrophobicContact CE-CG 4.46Å; M149-D297 CarbonylContact C-O 3.53Å; M149-D297 WeakPolarHBondContact CA-O 3.36Å; M149-D297 WeakPolarHBondContact CB-O 3.37Å; M149-L313 HydrophobicContact CB-CD1 4.38Å; M149-L313 HydrophobicContact CE-CD2 4.21Å; M149-L313 HydrophobicContact SD-CD1 3.86Å; M149-L313 HydrophobicContact SD-CD2 3.71Å; M149-L313 HydrophobicContact SD-CG 4.47Å
150V98.6Very high97.4Very high3 Ų343.4 Ų43.42%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-123.8114.7175.7-174.70000110.2L128 P130 F152 Y216 D297 V298 I299L128-V150 HydrophobicContact CD1-CG1 3.44Å; L128-V150 VanDerWaalsContact CD1-CG1 3.44Å; L128-V150 HydrophobicContact CG-CG1 4.44Å; P130-V150 HydrophobicContact CB-CG1 4.46Å; P130-V150 HydrophobicContact CB-CG2 4.25Å; V150-F152 HydrophobicContact CG1-CD2 4.29Å; V150-F152 HydrophobicContact CG1-CE2 3.8Å; V150-Y216 HydrophobicContact CB-CE1 4Å; V150-Y216 HydrophobicContact CG1-CD1 4.41Å; V150-Y216 HydrophobicContact CG1-CE1 3.8Å; V150-Y216 HydrophobicContact CG2-CE1 3.87Å; V150-D297 PolarHBondContact N-O 3.46Å; V150-V298 WeakPolarHBondContact O-CA 3.37Å; V150-I299 PolarHBondContact O-N 2.8Å
151I98.8Very high97.1Very high1 Ų139.2 Ų39.21%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-94.8118.6-174.4-45.6-53.4000110.4L128 R129 M149 I299 I309 L313L128-I151 CarbonylContact C-O 3.35Å; L128-I151 WeakPolarHBondContact CA-O 3.29Å; R129-I151 HydrophobicContact CB-CB 4.32Å; R129-I151 PolarHBondContact N-O 3.5Å; R129-I151 WeakPolarHBondContact O-CB 3.49Å; R129-I151 WeakPolarHBondContact O-CG1 3.45Å; R129-I151 PolarHBondContact O-N 3.3Å; M149-I151 HydrophobicContact CB-CD1 4.29Å; I151-I299 HydrophobicContact CD1-CB 3.56Å; I151-I299 HydrophobicContact CD1-CG1 3.38Å; I151-I299 HydrophobicContact CD1-CG2 4.26Å; I151-I309 HydrophobicContact CD1-CG2 3.98Å; I151-I309 HydrophobicContact CG1-CG2 4.41Å; I151-L313 HydrophobicContact CD1-CD1 3.51Å; I151-L313 HydrophobicContact CG1-CD1 4.03Å
152F98.8Very high96.7Very high6 Ų637.9 Ų37.93%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-97.6101.7164.9-74.8-104.1000108.5I126 L128 V150 L209 A212 A213 Y216 V298 I299 A300 C301I126-F152 HydrophobicContact CG2-CD1 3.63Å; I126-F152 HydrophobicContact CG2-CE1 4.03Å; L128-F152 HydrophobicContact CD1-CD1 4.22Å; L128-F152 HydrophobicContact CD1-CD2 3.76Å; L128-F152 HydrophobicContact CD1-CE1 3.87Å; L128-F152 HydrophobicContact CD1-CE2 3.38Å; L128-F152 HydrophobicContact CD1-CG 4.15Å; L128-F152 HydrophobicContact CD1-CZ 3.42Å; L128-F152 VanDerWaalsContact CD1-CZ 3.42Å; V150-F152 HydrophobicContact CG1-CD2 4.29Å; V150-F152 HydrophobicContact CG1-CE2 3.8Å; F152-L209 HydrophobicContact CB-CD1 4.17Å; F152-L209 HydrophobicContact CB-CG 4.44Å; F152-A212 HydrophobicContact CD1-CB 4.3Å; F152-A212 HydrophobicContact CE1-CB 4.07Å; F152-A213 HydrophobicContact CB-CB 4Å; F152-A213 HydrophobicContact CD1-CB 3.99Å; F152-A213 HydrophobicContact CD2-CB 3.87Å; F152-A213 HydrophobicContact CE1-CB 4.49Å; F152-A213 HydrophobicContact CE2-CB 4.38Å; F152-A213 HydrophobicContact CG-CB 3.67Å; F152-Y216 AromaticContact CE2-CD1 3.85Å; F152-Y216 HydrophobicContact CE2-CD1 3.85Å; F152-Y216 HydrophobicContact CE2-CD2 4.23Å; F152-Y216 AromaticContact CE2-CG 3.7Å; F152-Y216 HydrophobicContact CE2-CG 3.7Å; F152-Y216 HydrophobicContact CZ-CD1 4.11Å; F152-Y216 AromaticContact CZ-CD2 3.73Å; F152-Y216 HydrophobicContact CZ-CD2 3.73Å; F152-Y216 AromaticContact CZ-CG 3.46Å; F152-Y216 HydrophobicContact CZ-CG 3.46Å; F152-Y216 VanDerWaalsContact CZ-CG 3.46Å; F152-V298 HydrophobicContact CD2-CG1 3.71Å; F152-V298 HydrophobicContact CE2-CG1 3.9Å; F152-I299 WeakPolarHBondContact CA-O 3.33Å; F152-I299 WeakPolarHBondContact CB-O 3.5Å; F152-I299 PolarHBondContact N-O 2.85Å; F152-A300 WeakPolarHBondContact O-CA 3.38Å; F152-C301 PolarHBondContact O-N 3.03Å
153R98.5Very high96.5Very high2 Ų232.2 Ų32.21%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-98.7126.6175.9165.5-172.5174.4167.98.5109.1C127 N155 Y160 N303 D307C127-R153 HydrophobicContact CB-CB 3.9Å; C127-R153 HydrophobicContact CB-CG 4.03Å; C127-R153 PolarHBondContact N-O 3.41Å; C127-R153 PolarHBondContact O-N 3.19Å; R153-N155 PolarHBondContact O-N 3.25Å; R153-Y160 PolarHBondContact NH2-OH 2.99Å; R153-N303 PolarHBondContact NE-O 3.05Å; R153-N303 PolarHBondContact NE-OD1 2.81Å; R153-N303 PolarHBondContact NH2-O 3.33Å; R153-N303 PolarHBondContact NH2-OD1 3.48Å; R153-D307 IonicContact CZ-OD1 3.93Å; R153-D307 VanDerWaalsContact NH1-CA 3.34Å; R153-D307 VanDerWaalsContact NH1-CB 3.35Å; R153-D307 IonicContact NH1-OD1 2.7Å; R153-D307 PolarHBondContact NH1-OD1 2.79Å; R153-D307 IonicContact NH2-OD1 3.31Å
154E98.1Very high96.4Very high1 Ų134 Ų341%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-58.2133.1168.2-153-65.7126.200109.8S156 E157 L209 C301 N303E154-S156 VanDerWaalsContact CD-N 3.29Å; E154-S156 WeakPolarHBondContact OE1-CA 3.46Å; E154-S156 VanDerWaalsContact OE1-CB 3.3Å; E154-S156 WeakPolarHBondContact OE1-CB 3.29Å; E154-S156 PolarHBondContact OE1-N 3.02Å; E154-S156 PolarHBondContact OE1-OG 2.59Å; E154-S156 PolarHBondContact OE2-N 3.25Å; E154-E157 HydrophobicContact CG-CG 3.94Å; E154-E157 WeakPolarHBondContact OE2-CG 3.39Å; E154-E157 PolarHBondContact OE2-N 2.86Å; E154-L209 HydrophobicContact CB-CD2 3.77Å; E154-L209 HydrophobicContact CG-CD2 4.28Å; E154-C301 PolarHBondContact N-O 2.94Å; E154-N303 WeakPolarHBondContact O-CA 3.44Å; E154-N303 WeakPolarHBondContact O-CB 2.79Å; E154-N303 PolarHBondContact O-ND2 3.42Å; E154-N303 PolarHBondContact O-OD1 3.36Å
155N95.7Very high96.3Very high5 Ų537.5 Ų37.53%0.02719%0.188CC..  trans-125.15.4-169.2-149.124000114.9R119 L124 Y125 C127 R153 N327R119-N155 VanDerWaalsContact CD-ND2 3.34Å; R119-N155 WeakPolarHBondContact CD-ND2 3.42Å; R119-N155 WeakPolarHBondContact CD-OD1 3.31Å; R119-N155 VanDerWaalsContact CG-ND2 3.34Å; R119-N155 WeakPolarHBondContact CG-ND2 3.36Å; L124-N155 VanDerWaalsContact O-CB 3.3Å; L124-N155 WeakPolarHBondContact O-CB 3.31Å; L124-N155 PolarHBondContact O-ND2 3.36Å; Y125-N155 WeakPolarHBondContact O-CB 3.39Å; Y125-N155 PolarHBondContact O-N 2.92Å; C127-N155 HydrophobicContact CB-CB 4.15Å; R153-N155 PolarHBondContact O-N 3.25Å; N155-N327 PolarHBondContact ND2-OD1 2.74Å
156S92.8Very high96.3Very high31 Ų3141 Ų4122%0.21720%0.202CC..SBendtrans-118.2-24.6-172.473.50000114.7E154 R208E154-S156 VanDerWaalsContact CD-N 3.29Å; E154-S156 WeakPolarHBondContact OE1-CA 3.46Å; E154-S156 VanDerWaalsContact OE1-CB 3.3Å; E154-S156 WeakPolarHBondContact OE1-CB 3.29Å; E154-S156 PolarHBondContact OE1-N 3.02Å; E154-S156 PolarHBondContact OE1-OG 2.59Å; E154-S156 PolarHBondContact OE2-N 3.25Å; S156-R208 PolarHBondContact OG-NH2 2.94Å
157E95.5Very high96.3Very high13 Ų1338.3 Ų38.36%0.06119%0.192CC..SBendtrans-123.9-148-177.956.3171.3-130.500111.4E154 C201 S202 N303E154-E157 HydrophobicContact CG-CG 3.94Å; E154-E157 WeakPolarHBondContact OE2-CG 3.39Å; E154-E157 PolarHBondContact OE2-N 2.86Å; E157-C201 WeakPolarHBondContact OE1-CA 3.16Å; E157-C201 PolarHBondContact OE1-SG 2.93Å; E157-S202 PolarHBondContact OE1-N 3.23Å; E157-S202 WeakPolarHBondContact OE2-CB 3.14Å; E157-S202 PolarHBondContact OE2-N 2.96Å; E157-S202 PolarHBondContact OE2-OG 3.44Å; E157-N303 PolarHBondContact O-ND2 3.35Å
158D97.4Very high96.3Very high0 Ų042.7 Ų42.70%022%0.215CC..SBendtrans64.6-173-170.7-155.2-16.2000112.6Y160 A161 K199 P200 M302 N303 L304D158-Y160 PolarHBondContact O-N 3.18Å; D158-A161 WeakPolarHBondContact O-CB 3.34Å; D158-A161 PolarHBondContact O-N 2.95Å; D158-K199 VanDerWaalsContact OD1-CD 3.23Å; D158-K199 WeakPolarHBondContact OD1-CD 3.37Å; D158-K199 WeakPolarHBondContact OD1-CE 3.35Å; D158-K199 WeakPolarHBondContact OD1-CG 3.3Å; D158-K199 IonicContact OD1-NZ 3.96Å; D158-K199 PolarHBondContact OD1-NZ 3.36Å; D158-K199 IonicContact OD2-NZ 3.83Å; D158-K199 PolarHBondContact OD2-NZ 3.18Å; D158-K199 VanDerWaalsContact OD2-NZ 3.16Å; D158-P200 WeakPolarHBondContact CA-O 3.38Å; D158-P200 PolarHBondContact N-O 3.34Å; D158-M302 HydrophobicContact CB-CE 4.07Å; D158-M302 WeakPolarHBondContact OD2-CB 3.5Å; D158-N303 HydrophobicContact CB-CB 3.45Å; D158-N303 VanDerWaalsContact CB-CB 3.45Å; D158-N303 PolarHBondContact OD2-N 2.84Å; D158-L304 PolarHBondContact OD2-N 3.01Å
159I96.2Very high96.3Very high68 Ų6840.9 Ų40.935%0.34921%0.209SC..G310 helixtrans-58.5-16.8176.1-161.563.8000112.5A161 G162 K199 L304I159-A161 PolarHBondContact O-N 3.35Å; I159-G162 PolarHBondContact O-N 3.27Å; I159-K199 HydrophobicContact CB-CB 4.47Å; I159-K199 HydrophobicContact CD1-CB 4.28Å; I159-L304 HydrophobicContact CG2-CB 4.15Å; I159-L304 HydrophobicContact CG2-CD2 4.13Å
160Y91.8Very high96.3Very high65 Ų6544.6 Ų44.626%0.25524%0.239SC..G310 helixtrans-68.5-10.2173.4-90.3-104.1000113.8R153 D158 G162 N303 L304 D307R153-Y160 PolarHBondContact NH2-OH 2.99Å; D158-Y160 PolarHBondContact O-N 3.18Å; Y160-G162 PolarHBondContact O-N 2.61Å; Y160-G162 VanDerWaalsContact O-N 3.09Å; Y160-N303 VanDerWaalsContact CB-ND2 3.28Å; Y160-N303 WeakPolarHBondContact CB-ND2 3.43Å; Y160-N303 HydrophobicContact CD2-CB 4.15Å; Y160-N303 HydrophobicContact CG-CB 4.28Å; Y160-L304 HydrophobicContact CD2-CB 4.32Å; Y160-L304 HydrophobicContact CE2-CB 4.09Å; Y160-L304 HydrophobicContact CE2-CD1 3.74Å; Y160-D307 PolarHBondContact OH-OD2 3.44Å
161A91.4Very high96.3Very high16 Ų1648.6 Ų48.613%0.13226%0.26CS..G310 helixtrans-59-17.6170.500000113.3R112 D158 I159 I163 P200R112-A161 PolarHBondContact NH1-O 3.2Å; D158-A161 WeakPolarHBondContact O-CB 3.34Å; D158-A161 PolarHBondContact O-N 2.95Å; I159-A161 PolarHBondContact O-N 3.35Å; A161-I163 HydrophobicContact CB-CD1 3.97Å; A161-I163 HydrophobicContact CB-CG1 3.99Å; A161-I163 PolarHBondContact O-N 2.86Å; A161-P200 HydrophobicContact CB-CG 4.34Å
162G89.8Confident96.2Very high17 Ų1748.6 Ų48.618%0.17526%0.261CS..  trans6726.7177.700000113.1R112 I159 Y160 E164R112-G162 PolarHBondContact NH2-O 3.02Å; I159-G162 PolarHBondContact O-N 3.27Å; Y160-G162 PolarHBondContact O-N 2.61Å; Y160-G162 VanDerWaalsContact O-N 3.09Å; G162-E164 PolarHBondContact O-N 3.35Å
163I94.3Very high96.2Very high71 Ų7153.9 Ų53.936%0.36429%0.285SS..  trans-87.789.5176.9-55.1170.9000107.6A161 W165 G197 I198A161-I163 HydrophobicContact CB-CD1 3.97Å; A161-I163 HydrophobicContact CB-CG1 3.99Å; A161-I163 PolarHBondContact O-N 2.86Å; I163-W165 HydrophobicContact CG2-CH2 3.83Å; I163-W165 HydrophobicContact CG2-CZ2 4.3Å; I163-W165 HydrophobicContact CG2-CZ3 4.34Å; I163-G197 WeakPolarHBondContact O-CA 3.35Å; I163-I198 HydrophobicContact CB-CB 4.22Å; I163-I198 HydrophobicContact CG2-CB 4.03Å; I163-I198 HydrophobicContact CG2-CG1 3.95Å; I163-I198 PolarHBondContact O-N 3.12Å
164E96.2Very high96.2Very high144 Ų14460.9 Ų60.967%0.67332%0.316SS*.EExtended strand (participates in β ladder)trans-147.6155.1-176.462.2-176.5168.600112.5G162 I196G162-E164 PolarHBondContact O-N 3.35Å; E164-I196 CarbonylContact C-O 3.59Å; E164-I196 WeakPolarHBondContact CA-O 3.26Å; E164-I196 WeakPolarHBondContact CB-O 3.28Å
165W97.5Very high96.3Very high81 Ų8162.1 Ų62.131%0.30732%0.323SS..EExtended strand (participates in β ladder)trans-131.1134.7176.6-57.2-86.8000110.4I163 D171 A172 V175 G195 I196 I198I163-W165 HydrophobicContact CG2-CH2 3.83Å; I163-W165 HydrophobicContact CG2-CZ2 4.3Å; I163-W165 HydrophobicContact CG2-CZ3 4.34Å; W165-D171 HydrophobicContact CG-CB 4Å; W165-A172 HydrophobicContact CB-CB 3.8Å; W165-V175 HydrophobicContact CD2-CG2 4.31Å; W165-V175 HydrophobicContact CE3-CG2 4.02Å; W165-V175 HydrophobicContact CH2-CG2 4.03Å; W165-V175 HydrophobicContact CZ2-CG2 4.33Å; W165-V175 HydrophobicContact CZ3-CG1 4.29Å; W165-V175 HydrophobicContact CZ3-CG2 3.87Å; W165-G195 WeakPolarHBondContact O-CA 3.49Å; W165-I196 HydrophobicContact CE3-CB 4.25Å; W165-I196 HydrophobicContact CE3-CG2 4.13Å; W165-I196 HydrophobicContact CZ3-CG2 4.2Å; W165-I196 PolarHBondContact N-O 2.85Å; W165-I196 PolarHBondContact O-N 2.95Å; W165-I198 HydrophobicContact CH2-CG1 4.2Å; W165-I198 HydrophobicContact CZ3-CD1 4.29Å; W165-I198 HydrophobicContact CZ3-CG1 3.82Å
166K97.1Very high96.4Very high176 Ų17662.4 Ų62.477%0.76533%0.325SS*.  trans-62.4142.1179.4-167.5-172.2176.6-143.10110.4S169 A172K166-S169 VanDerWaalsContact O-CB 3.3Å; K166-S169 WeakPolarHBondContact O-CB 3.26Å; K166-S169 PolarHBondContact O-N 3.3Å; K166-S169 PolarHBondContact O-OG 3.47Å; K166-A172 VanDerWaalsContact O-CB 3.27Å; K166-A172 WeakPolarHBondContact O-CB 3.23Å
167A98.3Very high96.7Very high29 Ų2966.6 Ų66.624%0.2434%0.339CS..THydrogen-bonded Turntrans-49.7143.3167.700000111.1S169A167-S169 PolarHBondContact O-N 3.08Å
168D98.2Very high96.9Very high95 Ų9571 Ų7151%0.50836%0.358SS..THydrogen-bonded Turntrans64.410.3-178.5-47.7-42.5000115.4H193D168-H193 WeakPolarHBondContact OD1-CA 3.37Å; D168-H193 IonicContact OD1-CE1 3.67Å; D168-H193 IonicContact OD1-CG 3.65Å; D168-H193 IonicContact OD1-ND1 2.74Å; D168-H193 PolarHBondContact OD1-ND1 3.47Å; D168-H193 IonicContact OD2-ND1 3.38Å; D168-H193 PolarHBondContact OD2-ND1 2.81Å
169S98.2Very high96.9Very high35 Ų3573.1 Ų73.125%0.24537%0.369CS..  trans-80.4145.7166.368.10000110.7K166 A167 D171 A172 E173K166-S169 VanDerWaalsContact O-CB 3.3Å; K166-S169 WeakPolarHBondContact O-CB 3.26Å; K166-S169 PolarHBondContact O-N 3.3Å; K166-S169 PolarHBondContact O-OG 3.47Å; A167-S169 PolarHBondContact O-N 3.08Å; S169-D171 PolarHBondContact O-N 3.38Å; S169-A172 PolarHBondContact O-N 2.76Å; S169-A172 VanDerWaalsContact O-N 3.11Å; S169-A172 VanDerWaalsContact OG-CB 3.31Å; S169-A172 WeakPolarHBondContact OG-CB 3.45Å; S169-A172 PolarHBondContact OG-N 3.24Å; S169-E173 PolarHBondContact O-N 3.06Å; S169-E173 VanDerWaalsContact O-N 3.07Å
170A98.5Very high97Very high77 Ų7776.2 Ų76.264%0.63638%0.377SS*.Hα-helixtrans-56-33.9176.100000112.3K174A170-K174 VanDerWaalsContact O-CB 3.25Å; A170-K174 WeakPolarHBondContact O-CB 3.38Å; A170-K174 PolarHBondContact O-N 2.79Å
171D98.4Very high97.4Very high88 Ų8879.1 Ų79.147%0.47139%0.392SS..Hα-helixtrans-70.2-42.8177.2-68.4-36.5000112.4W165 S169 E173 K174 V175W165-D171 HydrophobicContact CG-CB 4Å; S169-D171 PolarHBondContact O-N 3.38Å; D171-E173 PolarHBondContact O-N 3.38Å; D171-K174 WeakPolarHBondContact O-CB 3.18Å; D171-K174 PolarHBondContact O-N 3.33Å; D171-V175 WeakPolarHBondContact O-CG2 3.47Å; D171-V175 PolarHBondContact O-N 2.89Å
172A98.6Very high97.7Very high1 Ų185 Ų851%0.00842%0.417CS..Hα-helixtrans-60.9-45.6175.100000111.3W165 K166 S169 K174 V175 I176W165-A172 HydrophobicContact CB-CB 3.8Å; K166-A172 VanDerWaalsContact O-CB 3.27Å; K166-A172 WeakPolarHBondContact O-CB 3.23Å; S169-A172 PolarHBondContact O-N 2.76Å; S169-A172 VanDerWaalsContact O-N 3.11Å; S169-A172 VanDerWaalsContact OG-CB 3.31Å; S169-A172 WeakPolarHBondContact OG-CB 3.45Å; S169-A172 PolarHBondContact OG-N 3.24Å; A172-K174 VanDerWaalsContact C-N 3.33Å; A172-K174 PolarHBondContact O-N 3.29Å; A172-V175 PolarHBondContact O-N 3.3Å; A172-I176 VanDerWaalsContact O-CG1 3.28Å; A172-I176 WeakPolarHBondContact O-CG1 3.45Å; A172-I176 PolarHBondContact O-N 3.24Å
173E98.5Very high98.1Very high117 Ų11789.7 Ų89.755%0.54744%0.436SS..Hα-helixtrans-61-41.9176.1-69.4179.9-18000112S169 D171 I176 K177S169-E173 PolarHBondContact O-N 3.06Å; S169-E173 VanDerWaalsContact O-N 3.07Å; D171-E173 PolarHBondContact O-N 3.38Å; E173-I176 PolarHBondContact O-N 3.39Å; E173-K177 VanDerWaalsContact O-CB 3.3Å; E173-K177 WeakPolarHBondContact O-CB 3.28Å; E173-K177 PolarHBondContact O-N 2.82Å
174K98.7Very high98.3Very high149 Ų14988.5 Ų88.565%0.64844%0.441SS*.Hα-helixtrans-61.4-43.4175.8-178.4-178.2177.8-175.70112A170 D171 A172 K177 F178A170-K174 VanDerWaalsContact O-CB 3.25Å; A170-K174 WeakPolarHBondContact O-CB 3.38Å; A170-K174 PolarHBondContact O-N 2.79Å; D171-K174 WeakPolarHBondContact O-CB 3.18Å; D171-K174 PolarHBondContact O-N 3.33Å; A172-K174 VanDerWaalsContact C-N 3.33Å; A172-K174 PolarHBondContact O-N 3.29Å; K174-K177 PolarHBondContact O-N 3.09Å; K174-F178 PolarHBondContact O-N 3.17Å
175V98.7Very high98.4Very high27 Ų2783.9 Ų83.916%0.16442%0.422CS..Hα-helixtrans-66.5-44.5177.2173.40000110.9W165 D171 A172 K177 F178 L179 I196W165-V175 HydrophobicContact CD2-CG2 4.31Å; W165-V175 HydrophobicContact CE3-CG2 4.02Å; W165-V175 HydrophobicContact CH2-CG2 4.03Å; W165-V175 HydrophobicContact CZ2-CG2 4.33Å; W165-V175 HydrophobicContact CZ3-CG1 4.29Å; W165-V175 HydrophobicContact CZ3-CG2 3.87Å; D171-V175 WeakPolarHBondContact O-CG2 3.47Å; D171-V175 PolarHBondContact O-N 2.89Å; A172-V175 PolarHBondContact O-N 3.3Å; V175-K177 VanDerWaalsContact C-N 3.29Å; V175-K177 PolarHBondContact O-N 3.24Å; V175-F178 PolarHBondContact O-N 3.08Å; V175-L179 HydrophobicContact CG1-CD1 4.06Å; V175-L179 HydrophobicContact CG1-CG 4.38Å; V175-L179 WeakPolarHBondContact O-CG 3.28Å; V175-L179 PolarHBondContact O-N 2.71Å; V175-I196 HydrophobicContact CG1-CG2 3.9Å
176I98.7Very high98.5Very high11 Ų1189.7 Ų89.76%0.05645%0.45CS..Hα-helixtrans-59.6-43.2175.9-70.1167.7000110.6A172 E173 L179 R180 P191 C194 I196A172-I176 VanDerWaalsContact O-CG1 3.28Å; A172-I176 WeakPolarHBondContact O-CG1 3.45Å; A172-I176 PolarHBondContact O-N 3.24Å; E173-I176 PolarHBondContact O-N 3.39Å; I176-L179 PolarHBondContact O-N 3.49Å; I176-R180 HydrophobicContact CG2-CG 4.44Å; I176-R180 WeakPolarHBondContact O-CB 3.03Å; I176-R180 VanDerWaalsContact O-CG 3.27Å; I176-R180 WeakPolarHBondContact O-CG 3.4Å; I176-R180 PolarHBondContact O-N 2.88Å; I176-P191 WeakPolarHBondContact CD1-O 3.46Å; I176-P191 HydrophobicContact CG2-CB 3.92Å; I176-C194 HydrophobicContact CD1-CB 3.8Å; I176-I196 HydrophobicContact CD1-CD1 4.22Å; I176-I196 HydrophobicContact CD1-CG1 4.05Å; I176-I196 HydrophobicContact CG1-CD1 3.77Å; I176-I196 HydrophobicContact CG1-CG1 3.69Å
177K98.7Very high98.5Very high118 Ų11890.8 Ų90.851%0.51345%0.454SS..Hα-helixtrans-59.4-51.6175.8-174.4179.4178.6179.60111.1E173 K174 V175 L179 R180 E181E173-K177 VanDerWaalsContact O-CB 3.3Å; E173-K177 WeakPolarHBondContact O-CB 3.28Å; E173-K177 PolarHBondContact O-N 2.82Å; K174-K177 PolarHBondContact O-N 3.09Å; V175-K177 VanDerWaalsContact C-N 3.29Å; V175-K177 PolarHBondContact O-N 3.24Å; K177-L179 PolarHBondContact O-N 3.1Å; K177-R180 PolarHBondContact O-N 2.84Å; K177-E181 VanDerWaalsContact CE-OE1 3.24Å; K177-E181 WeakPolarHBondContact CE-OE1 3.22Å; K177-E181 WeakPolarHBondContact CE-OE2 2.96Å; K177-E181 VanDerWaalsContact CG-CD 3.5Å; K177-E181 HydrophobicContact CG-CG 4.18Å; K177-E181 WeakPolarHBondContact CG-OE1 3.5Å; K177-E181 IonicContact NZ-OE2 3.9Å; K177-E181 WeakPolarHBondContact O-CB 3.3Å; K177-E181 PolarHBondContact O-N 3.22Å
178F98.9Very high98.5Very high107 Ų10791.4 Ų91.447%0.46945%0.453SS..Hα-helixtrans-54.9-48.5176.5170.8-100.3000112.2K174 V175 R180 E182 M183K174-F178 PolarHBondContact O-N 3.17Å; V175-F178 PolarHBondContact O-N 3.08Å; F178-R180 VanDerWaalsContact C-N 3.31Å; F178-R180 PolarHBondContact O-N 3.46Å; F178-E182 HydrophobicContact CD2-CB 3.84Å; F178-E182 HydrophobicContact CD2-CG 3.73Å; F178-E182 HydrophobicContact CE2-CB 3.86Å; F178-E182 HydrophobicContact CE2-CG 4.11Å; F178-E182 WeakPolarHBondContact O-CB 3.16Å; F178-E182 PolarHBondContact O-N 3.27Å; F178-M183 HydrophobicContact CD1-CG 4.17Å; F178-M183 HydrophobicContact CE1-CG 3.57Å; F178-M183 HydrophobicContact CE1-SD 4.14Å; F178-M183 HydrophobicContact CE2-CG 4.5Å; F178-M183 HydrophobicContact CZ-CG 3.76Å; F178-M183 HydrophobicContact CZ-SD 3.78Å; F178-M183 PolarHBondContact O-N 3.06Å
179L98.7Very high98.5Very high43 Ų4395.4 Ų95.423%0.22546%0.461CS..Hα-helixtrans-61.5-39.5179.7-70173.9000112.2V175 I176 K177 M183 G184 V185 I188V175-L179 HydrophobicContact CG1-CD1 4.06Å; V175-L179 HydrophobicContact CG1-CG 4.38Å; V175-L179 WeakPolarHBondContact O-CG 3.28Å; V175-L179 PolarHBondContact O-N 2.71Å; I176-L179 PolarHBondContact O-N 3.49Å; K177-L179 PolarHBondContact O-N 3.1Å; L179-M183 HydrophobicContact CD2-CG 4.47Å; L179-M183 CarbonylContact O-C 3.4Å; L179-M183 WeakPolarHBondContact O-CB 3.49Å; L179-G184 PolarHBondContact O-N 3.27Å; L179-V185 HydrophobicContact CB-CB 4.23Å; L179-V185 HydrophobicContact CB-CG2 4.16Å; L179-V185 HydrophobicContact CD2-CG2 4.41Å; L179-V185 VanDerWaalsContact O-CB 3.23Å; L179-V185 WeakPolarHBondContact O-CB 3.49Å; L179-V185 VanDerWaalsContact O-CG2 3.31Å; L179-V185 WeakPolarHBondContact O-CG2 3.46Å; L179-V185 PolarHBondContact O-N 2.96Å; L179-I188 HydrophobicContact CD1-CD1 4.26Å
180R98.5Very high98.5Very high134 Ų134100.3 Ų100.351%0.50648%0.479SS..Hα-helixtrans-79-44.8-177.1-70.3176.467.4-171.9-0.2112.9I176 K177 F178 G184I176-R180 HydrophobicContact CG2-CG 4.44Å; I176-R180 WeakPolarHBondContact O-CB 3.03Å; I176-R180 VanDerWaalsContact O-CG 3.27Å; I176-R180 WeakPolarHBondContact O-CG 3.4Å; I176-R180 PolarHBondContact O-N 2.88Å; K177-R180 PolarHBondContact O-N 2.84Å; F178-R180 VanDerWaalsContact C-N 3.31Å; F178-R180 PolarHBondContact O-N 3.46Å; R180-G184 WeakPolarHBondContact O-CA 3.47Å
181E98.5Very high98.5Very high126 Ų12698.3 Ų98.359%0.58946%0.459SS*.Hα-helixtrans-84.8-48.8-172.6-65.5-177.1-173.300111.9K177K177-E181 VanDerWaalsContact CE-OE1 3.24Å; K177-E181 WeakPolarHBondContact CE-OE1 3.22Å; K177-E181 WeakPolarHBondContact CE-OE2 2.96Å; K177-E181 VanDerWaalsContact CG-CD 3.5Å; K177-E181 HydrophobicContact CG-CG 4.18Å; K177-E181 WeakPolarHBondContact CG-OE1 3.5Å; K177-E181 IonicContact NZ-OE2 3.9Å; K177-E181 WeakPolarHBondContact O-CB 3.3Å; K177-E181 PolarHBondContact O-N 3.22Å
182E98.6Very high98.5Very high139 Ų139101.5 Ų101.565%0.6547%0.471SS*.THydrogen-bonded Turntrans-88.5-41.9-175.2-53.6-59.8156.700111.9F178F178-E182 HydrophobicContact CD2-CB 3.84Å; F178-E182 HydrophobicContact CD2-CG 3.73Å; F178-E182 HydrophobicContact CE2-CB 3.86Å; F178-E182 HydrophobicContact CE2-CG 4.11Å; F178-E182 WeakPolarHBondContact O-CB 3.16Å; F178-E182 PolarHBondContact O-N 3.27Å
183M98.5Very high98.5Very high116 Ų116108.2 Ų108.257%0.57150%0.502SS*.SBendtrans-94.2-2.2-176.8-54.3-58.8-63.800113.6F178 L179 V185F178-M183 HydrophobicContact CD1-CG 4.17Å; F178-M183 HydrophobicContact CE1-CG 3.57Å; F178-M183 HydrophobicContact CE1-SD 4.14Å; F178-M183 HydrophobicContact CE2-CG 4.5Å; F178-M183 HydrophobicContact CZ-CG 3.76Å; F178-M183 HydrophobicContact CZ-SD 3.78Å; F178-M183 PolarHBondContact O-N 3.06Å; L179-M183 HydrophobicContact CD2-CG 4.47Å; L179-M183 CarbonylContact O-C 3.4Å; L179-M183 WeakPolarHBondContact O-CB 3.49Å; M183-V185 HydrophobicContact CB-CG2 4.13Å; M183-V185 PolarHBondContact O-N 2.71Å
184G98.3Very high98.5Very high45 Ų45104 Ų10446%0.46449%0.486SS..  trans63.723.1176.800000115L179 R180 K186L179-G184 PolarHBondContact O-N 3.27Å; R180-G184 WeakPolarHBondContact O-CA 3.47Å; G184-K186 PolarHBondContact O-N 3.22Å
185V98.4Very high98.4Very high48 Ų4899 Ų9929%0.29148%0.475SS..  trans-70.4114.9-177.5177.70000110.6L179 M183 K187 I188L179-V185 HydrophobicContact CB-CB 4.23Å; L179-V185 HydrophobicContact CB-CG2 4.16Å; L179-V185 HydrophobicContact CD2-CG2 4.41Å; L179-V185 VanDerWaalsContact O-CB 3.23Å; L179-V185 WeakPolarHBondContact O-CB 3.49Å; L179-V185 VanDerWaalsContact O-CG2 3.31Å; L179-V185 WeakPolarHBondContact O-CG2 3.46Å; L179-V185 PolarHBondContact O-N 2.96Å; M183-V185 HydrophobicContact CB-CG2 4.13Å; M183-V185 PolarHBondContact O-N 2.71Å; V185-K187 HydrophobicContact CG1-CB 4.43Å; V185-I188 HydrophobicContact CG1-CD1 4.4Å; V185-I188 HydrophobicContact CG1-CG1 4.14Å
186K98.4Very high98.4Very high202 Ų20298.7 Ų98.788%0.87847%0.473SS*.  trans-104.24.5175.7-56.5-174.3-176.6-174.80114G184G184-K186 PolarHBondContact O-N 3.22Å
187K98.4Very high98.4Very high199 Ų199100.1 Ų100.187%0.86549%0.491SS*.  trans-92.6-9-170.3-66178.9-179.5175.20114.3V185 R189V185-K187 HydrophobicContact CG1-CB 4.43Å; K187-R189 PolarHBondContact O-N 3.17Å
188I98.4Very high98.4Very high42 Ų4297.7 Ų97.722%0.21548%0.482CS..  trans-73.7109.4174.3-60173.2000107.9L179 V185 P191L179-I188 HydrophobicContact CD1-CD1 4.26Å; V185-I188 HydrophobicContact CG1-CD1 4.4Å; V185-I188 HydrophobicContact CG1-CG1 4.14Å; I188-P191 HydrophobicContact CG2-CB 4.05Å
189R98.5Very high98.4Very high180 Ų18094.7 Ų94.768%0.67947%0.469SS*.SBendtrans-69.2-38.5-172.3176.960.5-173.883.60.1113.4K187K187-R189 PolarHBondContact O-N 3.17Å
190F98.4Very high98.4Very high138 Ų13894.9 Ų94.961%0.60547%0.473SS*.  trans-133.191.8-179.3-60-71.2000107.5E192 C194F190-E192 VanDerWaalsContact C-N 3.34Å; F190-C194 VanDerWaalsContact O-CB 3.28Å; F190-C194 WeakPolarHBondContact O-CB 3.22Å
191P97.8Very high98.4Very high35 Ų3589.6 Ų89.623%0.22746%0.456CS..  trans-79.3-15.3-176.530.8-35.1000113.7I176 I188I176-P191 WeakPolarHBondContact CD1-O 3.46Å; I176-P191 HydrophobicContact CG2-CB 3.92Å; I188-P191 HydrophobicContact CG2-CB 4.05Å
192E97.9Very high98.4Very high154 Ų15485.9 Ų85.972%0.7244%0.444SS*.THydrogen-bonded Turntrans-86.6147.3172.7-67.1165.1-14700109.6F190 C194F190-E192 VanDerWaalsContact C-N 3.34Å; E192-C194 PolarHBondContact O-N 2.77Å
193H98.2Very high98.4Very high142 Ų14283.1 Ų83.166%0.65743%0.431SS*.THydrogen-bonded Turntrans52.936.5-178.6-52.8-55.2000113.5D168D168-H193 WeakPolarHBondContact OD1-CA 3.37Å; D168-H193 IonicContact OD1-CE1 3.67Å; D168-H193 IonicContact OD1-CG 3.65Å; D168-H193 IonicContact OD1-ND1 2.74Å; D168-H193 PolarHBondContact OD1-ND1 3.47Å; D168-H193 IonicContact OD2-ND1 3.38Å; D168-H193 PolarHBondContact OD2-ND1 2.81Å
194C98.4Very high98.4Very high30 Ų3085 Ų8520%0.20344%0.439CS..  trans-111.5122-170.8-172.20000111I176 F190 E192I176-C194 HydrophobicContact CD1-CB 3.8Å; F190-C194 VanDerWaalsContact O-CB 3.28Å; F190-C194 WeakPolarHBondContact O-CB 3.22Å; E192-C194 PolarHBondContact O-N 2.77Å
195G98.3Very high98.4Very high42 Ų4283 Ų8343%0.43342%0.418SS..  trans-79.8150.9167.100000110.9W165W165-G195 WeakPolarHBondContact O-CA 3.49Å
196I98.5Very high98.4Very high21 Ų2180.8 Ų80.811%0.10840%0.404CS..EExtended strand (participates in β ladder)trans-125.2136.1-179.9-63.3-65.4000109.7E164 W165 V175 I176 I198E164-I196 CarbonylContact C-O 3.59Å; E164-I196 WeakPolarHBondContact CA-O 3.26Å; E164-I196 WeakPolarHBondContact CB-O 3.28Å; W165-I196 HydrophobicContact CE3-CB 4.25Å; W165-I196 HydrophobicContact CE3-CG2 4.13Å; W165-I196 HydrophobicContact CZ3-CG2 4.2Å; W165-I196 PolarHBondContact N-O 2.85Å; W165-I196 PolarHBondContact O-N 2.95Å; V175-I196 HydrophobicContact CG1-CG2 3.9Å; I176-I196 HydrophobicContact CD1-CD1 4.22Å; I176-I196 HydrophobicContact CD1-CG1 4.05Å; I176-I196 HydrophobicContact CG1-CD1 3.77Å; I176-I196 HydrophobicContact CG1-CG1 3.69Å; I196-I198 HydrophobicContact CG2-CD1 4.13Å
197G97.9Very high98.4Very high42 Ų4272.3 Ų72.343%0.43337%0.368SS..EExtended strand (participates in β ladder)trans-127.1150.4168.500000111I163I163-G197 WeakPolarHBondContact O-CA 3.35Å
198I98.5Very high98.4Very high66 Ų6664.8 Ų64.834%0.33833%0.334SS..  trans-115128-179.1-54.3-60.6000109.8I163 W165 I196 P200I163-I198 HydrophobicContact CB-CB 4.22Å; I163-I198 HydrophobicContact CG2-CB 4.03Å; I163-I198 HydrophobicContact CG2-CG1 3.95Å; I163-I198 PolarHBondContact O-N 3.12Å; W165-I198 HydrophobicContact CH2-CG1 4.2Å; W165-I198 HydrophobicContact CZ3-CD1 4.29Å; W165-I198 HydrophobicContact CZ3-CG1 3.82Å; I196-I198 HydrophobicContact CG2-CD1 4.13Å; I198-P200 VanDerWaalsContact O-CD 3.29Å; I198-P200 WeakPolarHBondContact O-CD 3.43Å
199K98.6Very high98.5Very high44 Ų4462.8 Ų62.819%0.19132%0.324CS..  trans-108.794.1175.5177.8171.4166.2114.90110D158 I159 M234 T237 E238D158-K199 VanDerWaalsContact OD1-CD 3.23Å; D158-K199 WeakPolarHBondContact OD1-CD 3.37Å; D158-K199 WeakPolarHBondContact OD1-CE 3.35Å; D158-K199 WeakPolarHBondContact OD1-CG 3.3Å; D158-K199 IonicContact OD1-NZ 3.96Å; D158-K199 PolarHBondContact OD1-NZ 3.36Å; D158-K199 IonicContact OD2-NZ 3.83Å; D158-K199 PolarHBondContact OD2-NZ 3.18Å; D158-K199 VanDerWaalsContact OD2-NZ 3.16Å; I159-K199 HydrophobicContact CB-CB 4.47Å; I159-K199 HydrophobicContact CD1-CB 4.28Å; K199-M234 HydrophobicContact CD-SD 4.14Å; K199-T237 WeakPolarHBondContact O-CG2 3.21Å; K199-E238 IonicContact NZ-OE1 2.8Å; K199-E238 PolarHBondContact NZ-OE1 2.94Å
200P98.5Very high98.5Very high48 Ų4854.2 Ų54.231%0.31229%0.291SS..  trans-76.6150.3170.331.7-34.1000111.5D158 A161 I198D158-P200 WeakPolarHBondContact CA-O 3.38Å; D158-P200 PolarHBondContact N-O 3.34Å; A161-P200 HydrophobicContact CB-CG 4.34Å; I198-P200 VanDerWaalsContact O-CD 3.29Å; I198-P200 WeakPolarHBondContact O-CD 3.43Å
201C98.7Very high98.5Very high23 Ų2350.9 Ų50.916%0.15528%0.275CS..  trans-147.5130.1165.4-176.50000108.6E157 T237 M302E157-C201 WeakPolarHBondContact OE1-CA 3.16Å; E157-C201 PolarHBondContact OE1-SG 2.93Å; C201-T237 HydrophobicContact CB-CG2 4.08Å; C201-M302 HydrophobicContact CB-CE 3.69Å
202S98.7Very high98.5Very high47 Ų4750 Ų5033%0.32927%0.27SS..  trans-119.6153-172.669.50000112.3E157 E204 G205 T206E157-S202 PolarHBondContact OE1-N 3.23Å; E157-S202 WeakPolarHBondContact OE2-CB 3.14Å; E157-S202 PolarHBondContact OE2-N 2.96Å; E157-S202 PolarHBondContact OE2-OG 3.44Å; S202-E204 VanDerWaalsContact C-N 3.34Å; S202-G205 WeakPolarHBondContact OG-CA 3.43Å; S202-G205 PolarHBondContact OG-N 2.9Å; S202-T206 VanDerWaalsContact O-CB 3.29Å; S202-T206 WeakPolarHBondContact O-CB 3.39Å; S202-T206 PolarHBondContact O-N 3.19Å; S202-T206 PolarHBondContact O-OG1 3.19Å
203E98.8Very high98.5Very high82 Ų8242.6 Ų42.638%0.38324%0.236SC..Hα-helixtrans-62.5-44174.5-178.5171.9-179.700110.8T206 K207 W244E203-T206 PolarHBondContact O-N 3.34Å; E203-K207 HydrophobicContact CG-CD 3.86Å; E203-K207 HydrophobicContact CG-CG 4.22Å; E203-K207 VanDerWaalsContact O-CB 3.25Å; E203-K207 WeakPolarHBondContact O-CB 3.29Å; E203-K207 WeakPolarHBondContact O-CG 3.37Å; E203-K207 PolarHBondContact O-N 2.81Å; E203-K207 VanDerWaalsContact OE1-CE 3.25Å; E203-K207 WeakPolarHBondContact OE1-CE 3.48Å; E203-K207 IonicContact OE1-NZ 2.86Å; E203-K207 PolarHBondContact OE1-NZ 2.79Å; E203-W244 HydrophobicContact CB-CD2 3.93Å; E203-W244 HydrophobicContact CB-CE3 4.42Å; E203-W244 HydrophobicContact CB-CG 4.31Å; E203-W244 HydrophobicContact CB-CH2 4.36Å; E203-W244 HydrophobicContact CB-CZ2 3.85Å; E203-W244 HydrophobicContact CG-CD2 4.2Å; E203-W244 HydrophobicContact CG-CG 4.04Å
204E98.6Very high98.6Very high156 Ų15635.9 Ų35.973%0.72920%0.204SC*.Hα-helixtrans-62.5-50179-173.9171.7-177.300111.6S202 T206 K207 R208S202-E204 VanDerWaalsContact C-N 3.34Å; E204-T206 PolarHBondContact O-N 2.98Å; E204-K207 PolarHBondContact O-N 3.39Å; E204-R208 WeakPolarHBondContact O-CB 3.29Å; E204-R208 VanDerWaalsContact O-CG 3.29Å; E204-R208 WeakPolarHBondContact O-CG 3.39Å; E204-R208 PolarHBondContact O-N 2.88Å
205G98.4Very high98.5Very high3 Ų339.4 Ų39.43%0.03122%0.218CC..Hα-helixtrans-60.2-42.8177.100000113.1S202 R208 L209S202-G205 WeakPolarHBondContact OG-CA 3.43Å; S202-G205 PolarHBondContact OG-N 2.9Å; G205-R208 VanDerWaalsContact O-CG 3.28Å; G205-R208 WeakPolarHBondContact O-CG 3.3Å; G205-L209 PolarHBondContact O-N 3.39Å
206T98.9Very high98.5Very high0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-64.9-53.3175.3-62.70000111.4S202 E203 E204 R208 L209 V210 F241 W244S202-T206 VanDerWaalsContact O-CB 3.29Å; S202-T206 WeakPolarHBondContact O-CB 3.39Å; S202-T206 PolarHBondContact O-N 3.19Å; S202-T206 PolarHBondContact O-OG1 3.19Å; E203-T206 PolarHBondContact O-N 3.34Å; E204-T206 PolarHBondContact O-N 2.98Å; T206-R208 VanDerWaalsContact C-N 3.34Å; T206-R208 PolarHBondContact O-N 2.89Å; T206-L209 PolarHBondContact O-N 3Å; T206-V210 HydrophobicContact CG2-CG2 4.1Å; T206-V210 WeakPolarHBondContact O-CG2 3.47Å; T206-V210 PolarHBondContact O-N 2.86Å; T206-F241 HydrophobicContact CG2-CB 4.47Å; T206-F241 HydrophobicContact CG2-CD2 3.59Å; T206-F241 HydrophobicContact CG2-CE2 3.97Å; T206-F241 HydrophobicContact CG2-CG 4.12Å; T206-F241 WeakPolarHBondContact CG2-O 3.28Å; T206-W244 HydrophobicContact CG2-CB 3.78Å; T206-W244 HydrophobicContact CG2-CE3 4.41Å
207K98.8Very high98.5Very high24 Ų2439.1 Ų39.110%0.10420%0.203CC..Hα-helixtrans-63.4-39.1-174.2-77.6-171.9167.31760111.4E203 E204 R211 L248 E251E203-K207 HydrophobicContact CG-CD 3.86Å; E203-K207 HydrophobicContact CG-CG 4.22Å; E203-K207 VanDerWaalsContact O-CB 3.25Å; E203-K207 WeakPolarHBondContact O-CB 3.29Å; E203-K207 WeakPolarHBondContact O-CG 3.37Å; E203-K207 PolarHBondContact O-N 2.81Å; E203-K207 VanDerWaalsContact OE1-CE 3.25Å; E203-K207 WeakPolarHBondContact OE1-CE 3.48Å; E203-K207 IonicContact OE1-NZ 2.86Å; E203-K207 PolarHBondContact OE1-NZ 2.79Å; E204-K207 PolarHBondContact O-N 3.39Å; K207-R211 WeakPolarHBondContact O-CB 3.49Å; K207-R211 PolarHBondContact O-N 2.91Å; K207-L248 HydrophobicContact CB-CD1 4.07Å; K207-L248 HydrophobicContact CD-CD1 4.16Å; K207-L248 HydrophobicContact CG-CB 4.3Å; K207-L248 HydrophobicContact CG-CD1 4.03Å; K207-L248 WeakPolarHBondContact O-CD2 3.46Å; K207-E251 IonicContact NZ-OE2 3.55Å; K207-E251 PolarHBondContact NZ-OE2 3.48Å
208R98.3Very high98.5Very high42 Ų4238.1 Ų38.116%0.15819%0.187CC..Hα-helixtrans-63.8-40.2177.269.7-178.3-179165.3-0.8113.4D123 Y125 S156 E204 G205 T206 A212D123-R208 IonicContact OD1-CZ 3.38Å; D123-R208 IonicContact OD1-NH1 3.15Å; D123-R208 PolarHBondContact OD1-NH1 2.81Å; D123-R208 IonicContact OD1-NH2 2.9Å; D123-R208 PolarHBondContact OD1-NH2 3.37Å; D123-R208 IonicContact OD2-CZ 2.79Å; D123-R208 IonicContact OD2-NH1 2.76Å; D123-R208 PolarHBondContact OD2-NH1 2.82Å; D123-R208 IonicContact OD2-NH2 3.94Å; Y125-R208 VanDerWaalsContact CB-NH2 3.3Å; Y125-R208 HydrophobicContact CD2-CB 4.27Å; Y125-R208 HydrophobicContact CD2-CG 3.56Å; Y125-R208 HydrophobicContact CE2-CB 3.85Å; Y125-R208 HydrophobicContact CE2-CG 3.68Å; Y125-R208 HydrophobicContact CG-CG 4.19Å; S156-R208 PolarHBondContact OG-NH2 2.94Å; E204-R208 WeakPolarHBondContact O-CB 3.29Å; E204-R208 VanDerWaalsContact O-CG 3.29Å; E204-R208 WeakPolarHBondContact O-CG 3.39Å; E204-R208 PolarHBondContact O-N 2.88Å; G205-R208 VanDerWaalsContact O-CG 3.28Å; G205-R208 WeakPolarHBondContact O-CG 3.3Å; T206-R208 VanDerWaalsContact C-N 3.34Å; T206-R208 PolarHBondContact O-N 2.89Å; R208-A212 PolarHBondContact O-N 2.95Å
209L98.7Very high98.3Very high0 Ų038.5 Ų38.50%020%0.2CC..Hα-helixtrans-67.6-51.6175.2-178.681.3000111.6I126 F152 E154 G205 T206 R211 A212 A213 F241 C301I126-L209 HydrophobicContact CB-CD1 4.47Å; I126-L209 HydrophobicContact CG1-CD1 4.31Å; I126-L209 HydrophobicContact CG2-CD1 4.28Å; F152-L209 HydrophobicContact CB-CD1 4.17Å; F152-L209 HydrophobicContact CB-CG 4.44Å; E154-L209 HydrophobicContact CB-CD2 3.77Å; E154-L209 HydrophobicContact CG-CD2 4.28Å; G205-L209 PolarHBondContact O-N 3.39Å; T206-L209 PolarHBondContact O-N 3Å; L209-R211 VanDerWaalsContact C-N 3.27Å; L209-R211 PolarHBondContact O-N 2.72Å; L209-A212 WeakPolarHBondContact O-CB 3.28Å; L209-A212 PolarHBondContact O-N 3.44Å; L209-A213 PolarHBondContact O-N 2.96Å; L209-F241 HydrophobicContact CD2-CE2 3.86Å; L209-F241 HydrophobicContact CD2-CZ 3.99Å; L209-C301 WeakPolarHBondContact CD2-O 3.32Å
210V98.8Very high98.1Very high0 Ų039.8 Ų39.80%021%0.209CC..Hα-helixtrans-66.4-33.8-175-1790000110.6T206 A213 I214 L227 F241 L248 A300T206-V210 HydrophobicContact CG2-CG2 4.1Å; T206-V210 WeakPolarHBondContact O-CG2 3.47Å; T206-V210 PolarHBondContact O-N 2.86Å; V210-A213 PolarHBondContact O-N 3.2Å; V210-I214 HydrophobicContact CG1-CD1 3.93Å; V210-I214 HydrophobicContact CG1-CG1 4.31Å; V210-I214 WeakPolarHBondContact O-CG1 3.46Å; V210-I214 PolarHBondContact O-N 2.73Å; V210-L227 HydrophobicContact CG1-CD2 4.07Å; V210-L227 HydrophobicContact CG2-CD2 3.89Å; V210-F241 HydrophobicContact CG2-CE2 4.31Å; V210-F241 HydrophobicContact CG2-CZ 4.05Å; V210-L248 HydrophobicContact CB-CD2 3.75Å; V210-L248 HydrophobicContact CG1-CD2 3.81Å; V210-A300 HydrophobicContact CG2-CB 4.34Å
211R98.7Very high98Very high68 Ų6840.4 Ų40.426%0.25721%0.21SC..Hα-helixtrans-57.5-50.8172.3-174.2178.9-59.3101.24.3110.8K207 L209 A213 I214 E215 L248 E252 F253K207-R211 WeakPolarHBondContact O-CB 3.49Å; K207-R211 PolarHBondContact O-N 2.91Å; L209-R211 VanDerWaalsContact C-N 3.27Å; L209-R211 PolarHBondContact O-N 2.72Å; R211-A213 VanDerWaalsContact C-N 3.29Å; R211-A213 PolarHBondContact O-N 2.86Å; R211-I214 PolarHBondContact O-N 2.71Å; R211-E215 HydrophobicContact CG-CG 4.43Å; R211-E215 WeakPolarHBondContact CG-OE1 3.45Å; R211-E215 WeakPolarHBondContact O-CB 3.46Å; R211-E215 WeakPolarHBondContact O-CG 3.33Å; R211-E215 PolarHBondContact O-N 3.11Å; R211-L248 HydrophobicContact CB-CD2 3.89Å; R211-E252 IonicContact CZ-OE1 2.7Å; R211-E252 IonicContact CZ-OE2 3.16Å; R211-E252 IonicContact NE-OE1 3.53Å; R211-E252 IonicContact NE-OE2 3.89Å; R211-E252 PolarHBondContact NE-OE2 3.42Å; R211-E252 IonicContact NH2-OE1 2.71Å; R211-E252 PolarHBondContact NH2-OE1 3.04Å; R211-E252 IonicContact NH2-OE2 2.81Å; R211-E252 PolarHBondContact NH2-OE2 3.24Å; R211-F253 HydrophobicContact CG-CE2 4.3Å; R211-F253 HydrophobicContact CG-CZ 4.04Å
212A98.2Very high98Very high15 Ų1541.2 Ų41.212%0.12421%0.21CC..Hα-helixtrans-60.3-38.2178.100000112.6I126 F152 R208 L209 Y216I126-A212 HydrophobicContact CD1-CB 3.37Å; I126-A212 HydrophobicContact CG1-CB 4.31Å; F152-A212 HydrophobicContact CD1-CB 4.3Å; F152-A212 HydrophobicContact CE1-CB 4.07Å; R208-A212 PolarHBondContact O-N 2.95Å; L209-A212 WeakPolarHBondContact O-CB 3.28Å; L209-A212 PolarHBondContact O-N 3.44Å; A212-Y216 VanDerWaalsContact O-CB 3.24Å; A212-Y216 WeakPolarHBondContact O-CB 3.48Å; A212-Y216 PolarHBondContact O-N 2.91Å
213A98.7Very high98Very high0 Ų043.5 Ų43.50%022%0.218CC..Hα-helixtrans-66.4-42.7176.800000112.8F152 L209 V210 R211 Y216 A217 V225 V298 A300F152-A213 HydrophobicContact CB-CB 4Å; F152-A213 HydrophobicContact CD1-CB 3.99Å; F152-A213 HydrophobicContact CD2-CB 3.87Å; F152-A213 HydrophobicContact CE1-CB 4.49Å; F152-A213 HydrophobicContact CE2-CB 4.38Å; F152-A213 HydrophobicContact CG-CB 3.67Å; L209-A213 PolarHBondContact O-N 2.96Å; V210-A213 PolarHBondContact O-N 3.2Å; R211-A213 VanDerWaalsContact C-N 3.29Å; R211-A213 PolarHBondContact O-N 2.86Å; A213-Y216 PolarHBondContact O-N 3.45Å; A213-A217 PolarHBondContact O-N 3.29Å; A213-V225 HydrophobicContact CB-CG1 4.26Å; A213-V298 HydrophobicContact CB-CG1 4.06Å; A213-A300 HydrophobicContact CB-CB 4.01Å
214I98.8Very high98Very high0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-69.4-42.8177.8-63.5171.3000110.7V210 R211 Y216 A217 I218 V225 L248 A249 F253 I277V210-I214 HydrophobicContact CG1-CD1 3.93Å; V210-I214 HydrophobicContact CG1-CG1 4.31Å; V210-I214 WeakPolarHBondContact O-CG1 3.46Å; V210-I214 PolarHBondContact O-N 2.73Å; R211-I214 PolarHBondContact O-N 2.71Å; I214-Y216 VanDerWaalsContact C-N 3.31Å; I214-Y216 PolarHBondContact O-N 2.88Å; I214-A217 WeakPolarHBondContact O-CB 3.49Å; I214-A217 PolarHBondContact O-N 3.33Å; I214-I218 HydrophobicContact CG2-CD1 4.04Å; I214-I218 WeakPolarHBondContact O-CG1 3.24Å; I214-I218 PolarHBondContact O-N 3.18Å; I214-V225 HydrophobicContact CG1-CG1 4.5Å; I214-V225 HydrophobicContact CG1-CG2 4.21Å; I214-L248 HydrophobicContact CD1-CD2 4.44Å; I214-A249 HydrophobicContact CD1-CB 3.97Å; I214-F253 HydrophobicContact CB-CD2 4.36Å; I214-F253 HydrophobicContact CB-CE1 4.23Å; I214-F253 HydrophobicContact CB-CE2 4.08Å; I214-F253 HydrophobicContact CB-CZ 4Å; I214-F253 HydrophobicContact CD1-CD2 3.9Å; I214-F253 HydrophobicContact CD1-CE2 4.07Å; I214-F253 HydrophobicContact CG2-CB 4.37Å; I214-F253 HydrophobicContact CG2-CD1 3.49Å; I214-F253 VanDerWaalsContact CG2-CD1 3.49Å; I214-F253 HydrophobicContact CG2-CD2 3.9Å; I214-F253 HydrophobicContact CG2-CE1 3.6Å; I214-F253 HydrophobicContact CG2-CE2 4.01Å; I214-F253 HydrophobicContact CG2-CG 3.64Å; I214-F253 HydrophobicContact CG2-CZ 3.86Å; I214-I277 HydrophobicContact CD1-CD1 4.38Å; I214-I277 HydrophobicContact CG1-CD1 4.19Å
215E97.8Very high98Very high105 Ų10532.5 Ų32.549%0.49117%0.167SC..Hα-helixtrans-60.8-41.2174.5-74.2-179.7-176.500111.7R211 A217 I218 A219 F253R211-E215 HydrophobicContact CG-CG 4.43Å; R211-E215 WeakPolarHBondContact CG-OE1 3.45Å; R211-E215 WeakPolarHBondContact O-CB 3.46Å; R211-E215 WeakPolarHBondContact O-CG 3.33Å; R211-E215 PolarHBondContact O-N 3.11Å; E215-A217 PolarHBondContact O-N 3.23Å; E215-I218 PolarHBondContact O-N 3.25Å; E215-A219 VanDerWaalsContact O-CB 3.31Å; E215-A219 WeakPolarHBondContact O-CB 3.2Å; E215-A219 PolarHBondContact O-N 3.47Å; E215-F253 HydrophobicContact CG-CE1 4.03Å; E215-F253 HydrophobicContact CG-CZ 3.93Å
216Y97.2Very high98Very high57 Ų5732.3 Ų32.322%0.22417%0.166CC..Hα-helixtrans-61.1-43.8173.6-179.6-84.8000112V150 F152 A212 A213 I214 I218 A219 N220 R222 V298V150-Y216 HydrophobicContact CB-CE1 4Å; V150-Y216 HydrophobicContact CG1-CD1 4.41Å; V150-Y216 HydrophobicContact CG1-CE1 3.8Å; V150-Y216 HydrophobicContact CG2-CE1 3.87Å; F152-Y216 AromaticContact CE2-CD1 3.85Å; F152-Y216 HydrophobicContact CE2-CD1 3.85Å; F152-Y216 HydrophobicContact CE2-CD2 4.23Å; F152-Y216 AromaticContact CE2-CG 3.7Å; F152-Y216 HydrophobicContact CE2-CG 3.7Å; F152-Y216 HydrophobicContact CZ-CD1 4.11Å; F152-Y216 AromaticContact CZ-CD2 3.73Å; F152-Y216 HydrophobicContact CZ-CD2 3.73Å; F152-Y216 AromaticContact CZ-CG 3.46Å; F152-Y216 HydrophobicContact CZ-CG 3.46Å; F152-Y216 VanDerWaalsContact CZ-CG 3.46Å; A212-Y216 VanDerWaalsContact O-CB 3.24Å; A212-Y216 WeakPolarHBondContact O-CB 3.48Å; A212-Y216 PolarHBondContact O-N 2.91Å; A213-Y216 PolarHBondContact O-N 3.45Å; I214-Y216 VanDerWaalsContact C-N 3.31Å; I214-Y216 PolarHBondContact O-N 2.88Å; Y216-I218 VanDerWaalsContact C-N 3.31Å; Y216-I218 PolarHBondContact O-N 2.96Å; Y216-A219 PolarHBondContact O-N 3.34Å; Y216-N220 WeakPolarHBondContact CD2-ND2 3.27Å; Y216-N220 HydrophobicContact CE1-CB 4.31Å; Y216-N220 WeakPolarHBondContact CE2-ND2 3.44Å; Y216-N220 WeakPolarHBondContact O-CB 3.14Å; Y216-N220 PolarHBondContact O-N 3.25Å; Y216-N220 PolarHBondContact O-ND2 3.11Å; Y216-R222 HydrophobicContact CD1-CG 4.36Å; Y216-R222 HydrophobicContact CE1-CG 4.17Å; Y216-V298 HydrophobicContact CD1-CG2 4.02Å; Y216-V298 HydrophobicContact CE1-CG2 4.33Å
217A98.4Very high98Very high0 Ų032.3 Ų32.30%017%0.166CC..Hα-helixtrans-61.1-41.7177.300000111.7A213 I214 E215 D221 R222 V225 I275 V298A213-A217 PolarHBondContact O-N 3.29Å; I214-A217 WeakPolarHBondContact O-CB 3.49Å; I214-A217 PolarHBondContact O-N 3.33Å; E215-A217 PolarHBondContact O-N 3.23Å; A217-D221 WeakPolarHBondContact O-CA 3.14Å; A217-D221 PolarHBondContact O-N 3.5Å; A217-R222 HydrophobicContact CB-CB 3.98Å; A217-R222 HydrophobicContact CB-CG 4.48Å; A217-R222 PolarHBondContact O-N 3.23Å; A217-V225 HydrophobicContact CB-CG2 3.73Å; A217-I275 HydrophobicContact CB-CD1 4.1Å; A217-I275 HydrophobicContact CB-CG2 4.21Å; A217-V298 HydrophobicContact CB-CG2 4.13Å
218I98.1Very high98Very high21 Ų2131.2 Ų31.211%0.10816%0.161CC..Hα-helixtrans-64.2-47.7175.1-72.6167.1000111.5I214 E215 Y216 N220 F253 N268 P269 I275I214-I218 HydrophobicContact CG2-CD1 4.04Å; I214-I218 WeakPolarHBondContact O-CG1 3.24Å; I214-I218 PolarHBondContact O-N 3.18Å; E215-I218 PolarHBondContact O-N 3.25Å; Y216-I218 VanDerWaalsContact C-N 3.31Å; Y216-I218 PolarHBondContact O-N 2.96Å; I218-N220 VanDerWaalsContact C-N 3.3Å; I218-N220 PolarHBondContact O-N 3.02Å; I218-F253 HydrophobicContact CD1-CD1 3.73Å; I218-F253 HydrophobicContact CD1-CE1 3.9Å; I218-N268 PolarHBondContact O-ND2 2.99Å; I218-P269 HydrophobicContact CG2-CG 3.96Å; I218-I275 HydrophobicContact CB-CD1 4.49Å; I218-I275 HydrophobicContact CG1-CD1 3.68Å
219A93.9Very high98.1Very high73 Ų7329.5 Ų29.560%0.60316%0.155SC*.Hα-helixtrans-66.6-31.5-176.100000113E215 Y216E215-A219 VanDerWaalsContact O-CB 3.31Å; E215-A219 WeakPolarHBondContact O-CB 3.2Å; E215-A219 PolarHBondContact O-N 3.47Å; Y216-A219 PolarHBondContact O-N 3.34Å
220N94.2Very high98.1Very high72 Ų7231.3 Ų31.339%0.38516%0.163SC..THydrogen-bonded Turntrans-110.214.2-176.6-59.5-84.1000113.3Y216 I218 R222Y216-N220 WeakPolarHBondContact CD2-ND2 3.27Å; Y216-N220 HydrophobicContact CE1-CB 4.31Å; Y216-N220 WeakPolarHBondContact CE2-ND2 3.44Å; Y216-N220 WeakPolarHBondContact O-CB 3.14Å; Y216-N220 PolarHBondContact O-N 3.25Å; Y216-N220 PolarHBondContact O-ND2 3.11Å; I218-N220 VanDerWaalsContact C-N 3.3Å; I218-N220 PolarHBondContact O-N 3.02Å; N220-R222 VanDerWaalsContact C-N 3.27Å; N220-R222 HydrophobicContact CB-CG 3.92Å; N220-R222 WeakPolarHBondContact O-CD 3.25Å; N220-R222 PolarHBondContact O-N 3.39Å
221D97.3Very high98Very high61 Ų6131.8 Ų31.833%0.32617%0.168SC..THydrogen-bonded Turntrans48.641.4179.4-158.842.4000115.1A217 N268 T271 K273A217-D221 WeakPolarHBondContact O-CA 3.14Å; A217-D221 PolarHBondContact O-N 3.5Å; D221-N268 PolarHBondContact OD1-ND2 2.75Å; D221-T271 HydrophobicContact CB-CG2 4.12Å; D221-T271 WeakPolarHBondContact OD1-CB 3.49Å; D221-T271 WeakPolarHBondContact OD1-CG2 3.25Å; D221-T271 PolarHBondContact OD1-OG1 3.48Å; D221-K273 PolarHBondContact O-NZ 3.38Å; D221-K273 WeakPolarHBondContact OD1-CD 3.42Å
222R98.2Very high98Very high40 Ų4032.5 Ų32.515%0.15118%0.176CC..  trans-73.6156.1-178.4-52.5-54.6-71.3-163.5-4.5111.5D148 Y216 A217 N220 D297 V298D148-R222 VanDerWaalsContact CG-NH2 3.31Å; D148-R222 IonicContact OD1-CZ 2.94Å; D148-R222 IonicContact OD1-NH1 3.64Å; D148-R222 IonicContact OD1-NH2 3.95Å; D148-R222 PolarHBondContact OD1-NH2 3.4Å; D148-R222 IonicContact OD2-CZ 3.98Å; D148-R222 IonicContact OD2-NH1 3.42Å; D148-R222 IonicContact OD2-NH2 3.86Å; D148-R222 PolarHBondContact OD2-NH2 3.33Å; Y216-R222 HydrophobicContact CD1-CG 4.36Å; Y216-R222 HydrophobicContact CE1-CG 4.17Å; A217-R222 HydrophobicContact CB-CB 3.98Å; A217-R222 HydrophobicContact CB-CG 4.48Å; A217-R222 PolarHBondContact O-N 3.23Å; N220-R222 VanDerWaalsContact C-N 3.27Å; N220-R222 HydrophobicContact CB-CG 3.92Å; N220-R222 WeakPolarHBondContact O-CD 3.25Å; N220-R222 PolarHBondContact O-N 3.39Å; R222-D297 WeakPolarHBondContact CA-OD2 3.31Å; R222-D297 VanDerWaalsContact CB-OD2 3.25Å; R222-D297 WeakPolarHBondContact CB-OD2 3.47Å; R222-D297 IonicContact CZ-OD1 3.18Å; R222-D297 IonicContact CZ-OD2 2.85Å; R222-D297 IonicContact NE-OD1 2.73Å; R222-D297 PolarHBondContact NE-OD1 3.47Å; R222-D297 IonicContact NE-OD2 3.29Å; R222-D297 PolarHBondContact NE-OD2 2.91Å; R222-D297 IonicContact NH2-OD1 2.61Å; R222-D297 PolarHBondContact NH2-OD1 3.41Å; R222-V298 HydrophobicContact CB-CG2 3.8Å; R222-V298 HydrophobicContact CG-CG2 3.84Å
223D98.7Very high98Very high95 Ų9537.8 Ų37.851%0.50820%0.201SC..SBendtrans-82.1-33.3-171.7-73.4-65.1000114K273 I275 V276 D297D223-K273 WeakPolarHBondContact OD1-CE 3.41Å; D223-K273 IonicContact OD1-NZ 3.13Å; D223-K273 PolarHBondContact OD1-NZ 2.99Å; D223-K273 IonicContact OD2-NZ 3.97Å; D223-K273 PolarHBondContact OD2-NZ 2.74Å; D223-I275 WeakPolarHBondContact O-CA 3.46Å; D223-V276 PolarHBondContact O-N 2.91Å; D223-D297 PolarHBondContact N-OD2 3.39Å
224S98.9Very high98Very high6 Ų641.1 Ų41.14%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-156.9156.9-175.365.60000113.7V276 V298S224-V276 CarbonylContact C-O 3.51Å; S224-V276 WeakPolarHBondContact CA-O 3.14Å; S224-V276 WeakPolarHBondContact CB-O 3.35Å; S224-V298 VanDerWaalsContact O-CB 3.31Å; S224-V298 WeakPolarHBondContact O-CB 3.35Å; S224-V298 PolarHBondContact O-N 2.98Å
225V98.9Very high98Very high0 Ų047.4 Ų47.40%025%0.245CC..EExtended strand (participates in β ladder)trans-118.5120.3166.5-176.80000108.3A213 I214 A217 I275 V276 I277 K278 V298 A300A213-V225 HydrophobicContact CB-CG1 4.26Å; I214-V225 HydrophobicContact CG1-CG1 4.5Å; I214-V225 HydrophobicContact CG1-CG2 4.21Å; A217-V225 HydrophobicContact CB-CG2 3.73Å; V225-I275 HydrophobicContact CG2-CG2 4.31Å; V225-V276 PolarHBondContact N-O 2.88Å; V225-I277 HydrophobicContact CB-CD1 3.79Å; V225-I277 HydrophobicContact CG2-CD1 3.97Å; V225-I277 WeakPolarHBondContact O-CA 3.45Å; V225-K278 PolarHBondContact O-N 2.8Å; V225-V298 CarbonylContact C-O 3.47Å; V225-V298 VanDerWaalsContact CA-O 3.31Å; V225-V298 WeakPolarHBondContact CA-O 3.33Å; V225-V298 HydrophobicContact CG1-CG1 4.43Å; V225-V298 HydrophobicContact CG2-CB 4.14Å; V225-V298 HydrophobicContact CG2-CG1 4.29Å; V225-A300 HydrophobicContact CG1-CB 4.34Å
226T99Very high98Very high0 Ų051.4 Ų51.40%026%0.261CS..EExtended strand (participates in β ladder)trans-108.2117.8-179.5-53.60000110.8V228 K278 V280 Y296 V298 I299 A300T226-V228 HydrophobicContact CG2-CG2 3.95Å; T226-V228 PolarHBondContact O-N 2.95Å; T226-K278 CarbonylContact C-O 3.45Å; T226-K278 WeakPolarHBondContact CA-O 3.41Å; T226-K278 HydrophobicContact CG2-CG 4.22Å; T226-K278 WeakPolarHBondContact OG1-CE 3.28Å; T226-V280 HydrophobicContact CG2-CB 4.35Å; T226-V280 HydrophobicContact CG2-CG2 3.95Å; T226-Y296 HydrophobicContact CG2-CD1 4.06Å; T226-Y296 HydrophobicContact CG2-CE1 4.11Å; T226-V298 PolarHBondContact N-O 2.84Å; T226-I299 WeakPolarHBondContact O-CA 3.47Å; T226-A300 PolarHBondContact O-N 2.75Å
227L98.9Very high98.1Very high0 Ų050 Ų500%026%0.258CS..EExtended strand (participates in β ladder)trans-78.4110.1171.8-59.2172.3000109.2V210 F241 K242 Y246 K278 D279 V280 A300V210-L227 HydrophobicContact CG1-CD2 4.07Å; V210-L227 HydrophobicContact CG2-CD2 3.89Å; L227-F241 HydrophobicContact CB-CE1 4.49Å; L227-F241 HydrophobicContact CD2-CE1 4.04Å; L227-K242 HydrophobicContact CD1-CG 4.42Å; L227-Y246 HydrophobicContact CD1-CD1 4.45Å; L227-Y246 HydrophobicContact CD1-CD2 3.88Å; L227-Y246 HydrophobicContact CD1-CE2 4.1Å; L227-Y246 HydrophobicContact CD1-CG 4.08Å; L227-K278 PolarHBondContact N-O 3.18Å; L227-D279 HydrophobicContact CB-CB 4.09Å; L227-D279 WeakPolarHBondContact O-CA 3.5Å; L227-D279 WeakPolarHBondContact O-CB 3.41Å; L227-V280 PolarHBondContact O-N 3.46Å; L227-A300 WeakPolarHBondContact CA-O 3.2Å; L227-A300 HydrophobicContact CD2-CB 4.08Å
228V98.9Very high98.1Very high0 Ų050 Ų500%026%0.259CS..EExtended strand (participates in β ladder)trans-103.9122.9-179.6-177.30000110.7T226 V280 A282 F285 I299 A300 C301 I309T226-V228 HydrophobicContact CG2-CG2 3.95Å; T226-V228 PolarHBondContact O-N 2.95Å; V228-V280 WeakPolarHBondContact CA-O 3.35Å; V228-A282 HydrophobicContact CG1-CB 3.86Å; V228-F285 HydrophobicContact CG1-CB 3.89Å; V228-F285 HydrophobicContact CG1-CD1 3.9Å; V228-F285 HydrophobicContact CG1-CG 3.9Å; V228-F285 HydrophobicContact CG2-CB 4.42Å; V228-F285 HydrophobicContact CG2-CD1 3.91Å; V228-F285 HydrophobicContact CG2-CD2 3.74Å; V228-F285 HydrophobicContact CG2-CE1 4.08Å; V228-F285 HydrophobicContact CG2-CE2 3.91Å; V228-F285 HydrophobicContact CG2-CG 3.74Å; V228-F285 HydrophobicContact CG2-CZ 4.08Å; V228-I299 HydrophobicContact CB-CG2 4.28Å; V228-I299 HydrophobicContact CG2-CG2 3.65Å; V228-A300 PolarHBondContact N-O 3.32Å; V228-C301 HydrophobicContact CB-CB 4.1Å; V228-C301 WeakPolarHBondContact O-CB 3.14Å; V228-I309 HydrophobicContact CB-CD1 4.05Å; V228-I309 HydrophobicContact CG1-CD1 3.61Å
229H98.9Very high98.2Very high6 Ų649.3 Ų49.33%0.02826%0.256CS..EExtended strand (participates in β ladder)trans-155.4160.5-169.170.9110.9000112.7G231 E238 F241 K242 D279 V280 I281 A282H229-G231 VanDerWaalsContact ND1-CA 3.33Å; H229-G231 WeakPolarHBondContact ND1-CA 3.5Å; H229-G231 PolarHBondContact ND1-N 3.5Å; H229-E238 VanDerWaalsContact CA-OE2 3.26Å; H229-E238 WeakPolarHBondContact CA-OE2 3.47Å; H229-E238 HydrophobicContact CB-CB 4.33Å; H229-E238 WeakPolarHBondContact CB-O 3.48Å; H229-E238 PolarHBondContact ND1-O 3.41Å; H229-F241 HydrophobicContact CB-CD1 4.5Å; H229-K242 WeakPolarHBondContact NE2-CD 3.25Å; H229-D279 IonicContact NE2-OD2 3.42Å; H229-D279 PolarHBondContact NE2-OD2 3.31Å; H229-V280 PolarHBondContact N-O 2.77Å; H229-I281 CarbonylContact O-C 3.3Å; H229-I281 WeakPolarHBondContact O-CA 3.43Å; H229-A282 PolarHBondContact O-N 2.9Å
230K98.7Very high98.4Very high39 Ų3946.5 Ų46.517%0.1723%0.233CC..  trans-107.744.8169.1-164.271.9-162.6173.40112N232 I233 M234 E238 I281 D283K230-N232 VanDerWaalsContact C-N 3.26Å; K230-N232 VanDerWaalsContact CE-OD1 3.24Å; K230-N232 WeakPolarHBondContact CE-OD1 3.39Å; K230-N232 PolarHBondContact O-N 2.71Å; K230-I233 HydrophobicContact CG-CB 4.47Å; K230-I233 HydrophobicContact CG-CG1 4.49Å; K230-I233 PolarHBondContact O-N 3.2Å; K230-M234 HydrophobicContact CB-CE 3.91Å; K230-M234 HydrophobicContact CG-CE 4.3Å; K230-M234 PolarHBondContact O-N 2.8Å; K230-E238 PolarHBondContact N-OE2 2.93Å; K230-I281 HydrophobicContact CD-CG2 3.59Å; K230-D283 IonicContact NZ-OD1 3.63Å; K230-D283 PolarHBondContact NZ-OD1 3.35Å; K230-D283 IonicContact NZ-OD2 2.68Å; K230-D283 PolarHBondContact NZ-OD2 3.35Å
231G98.5Very high98.6Very high10 Ų1043 Ų4310%0.10321%0.214CC..THydrogen-bonded Turntrans-69.8-14.3-171.100000115.8H229 I233 K235 G239H229-G231 VanDerWaalsContact ND1-CA 3.33Å; H229-G231 WeakPolarHBondContact ND1-CA 3.5Å; H229-G231 PolarHBondContact ND1-N 3.5Å; G231-I233 VanDerWaalsContact C-N 3.29Å; G231-I233 PolarHBondContact O-N 2.79Å; G231-K235 WeakPolarHBondContact O-CA 3.44Å; G231-K235 WeakPolarHBondContact O-CG 3.43Å; G231-G239 VanDerWaalsContact CA-N 3.33Å
232N98Very high98.7Very high83 Ų8342.2 Ų42.244%0.44421%0.208SC..THydrogen-bonded Turntrans-70-27174.465.4-31000112.9K230 I281K230-N232 VanDerWaalsContact C-N 3.26Å; K230-N232 VanDerWaalsContact CE-OD1 3.24Å; K230-N232 WeakPolarHBondContact CE-OD1 3.39Å; K230-N232 PolarHBondContact O-N 2.71Å; N232-I281 HydrophobicContact CB-CD1 4.43Å
233I98.4Very high98.7Very high126 Ų12644.3 Ų44.365%0.64622%0.222SC*.THydrogen-bonded Turntrans-100.1-49.8175.5-57.6-60.6000110.4K230 G231 K235K230-I233 HydrophobicContact CG-CB 4.47Å; K230-I233 HydrophobicContact CG-CG1 4.49Å; K230-I233 PolarHBondContact O-N 3.2Å; G231-I233 VanDerWaalsContact C-N 3.29Å; G231-I233 PolarHBondContact O-N 2.79Å; I233-K235 PolarHBondContact O-N 2.77Å
234M98.4Very high98.7Very high70 Ų7042.4 Ų42.435%0.34521%0.208SC..SBendtrans-99.866.9-177.3-70.2-178.9-78.800111.2K199 K230 F236 T237 E238 G239K199-M234 HydrophobicContact CD-SD 4.14Å; K230-M234 HydrophobicContact CB-CE 3.91Å; K230-M234 HydrophobicContact CG-CE 4.3Å; K230-M234 PolarHBondContact O-N 2.8Å; M234-F236 VanDerWaalsContact C-N 3.28Å; M234-F236 PolarHBondContact O-N 2.8Å; M234-T237 PolarHBondContact O-N 3.42Å; M234-E238 HydrophobicContact CB-CB 4.01Å; M234-E238 HydrophobicContact CB-CG 3.92Å; M234-E238 HydrophobicContact CE-CG 3.79Å; M234-E238 PolarHBondContact O-N 2.86Å; M234-E238 HydrophobicContact SD-CG 4.24Å; M234-G239 PolarHBondContact O-N 3.28Å
235K98.6Very high98.7Very high131 Ų13142.1 Ų42.157%0.5721%0.206SC*.THydrogen-bonded Turntrans-56.9-36.7-171.2-60.9-176.7-179.2-176.10114.3G231 I233 G239 A240G231-K235 WeakPolarHBondContact O-CA 3.44Å; G231-K235 WeakPolarHBondContact O-CG 3.43Å; I233-K235 PolarHBondContact O-N 2.77Å; K235-G239 CarbonylContact O-C 3.46Å; K235-G239 WeakPolarHBondContact O-CA 3.43Å; K235-A240 PolarHBondContact O-N 3.47Å; K235-A240 VanDerWaalsContact O-N 3.15Å
236F98.6Very high98.7Very high189 Ų18942.5 Ų42.583%0.82921%0.207SC*.THydrogen-bonded Turntrans-97.65.5-171.1-52.1-53.4000114.3M234M234-F236 VanDerWaalsContact C-N 3.28Å; M234-F236 PolarHBondContact O-N 2.8Å
237T98.8Very high98.7Very high27 Ų2744.9 Ų44.917%0.16622%0.218CC..THydrogen-bonded Turntrans-126.7-72.2170.751.80000108.8K199 C201 M234 G239 A240 F241K199-T237 WeakPolarHBondContact O-CG2 3.21Å; C201-T237 HydrophobicContact CB-CG2 4.08Å; M234-T237 PolarHBondContact O-N 3.42Å; T237-G239 PolarHBondContact O-N 2.68Å; T237-A240 WeakPolarHBondContact O-CB 3.37Å; T237-A240 PolarHBondContact O-N 3.1Å; T237-F241 PolarHBondContact O-N 3.21Å
238E98.7Very high98.7Very high2 Ų244.9 Ų44.91%0.00922%0.218CC..Hα-helixtrans-68.8-32.8179.9-63-108.6-172.100112.9K199 H229 K230 M234 K242 M302 N305K199-E238 IonicContact NZ-OE1 2.8Å; K199-E238 PolarHBondContact NZ-OE1 2.94Å; H229-E238 VanDerWaalsContact CA-OE2 3.26Å; H229-E238 WeakPolarHBondContact CA-OE2 3.47Å; H229-E238 HydrophobicContact CB-CB 4.33Å; H229-E238 WeakPolarHBondContact CB-O 3.48Å; H229-E238 PolarHBondContact ND1-O 3.41Å; K230-E238 PolarHBondContact N-OE2 2.93Å; M234-E238 HydrophobicContact CB-CB 4.01Å; M234-E238 HydrophobicContact CB-CG 3.92Å; M234-E238 HydrophobicContact CE-CG 3.79Å; M234-E238 PolarHBondContact O-N 2.86Å; M234-E238 HydrophobicContact SD-CG 4.24Å; E238-K242 PolarHBondContact O-N 3.03Å; E238-M302 HydrophobicContact CB-SD 4.21Å; E238-M302 VanDerWaalsContact CD-SD 3.5Å; E238-M302 HydrophobicContact CG-SD 3.58Å; E238-M302 VanDerWaalsContact CG-SD 3.58Å; E238-N305 PolarHBondContact OE1-ND2 3.3Å; E238-N305 PolarHBondContact OE2-ND2 2.88Å
239G98.7Very high98.7Very high5 Ų544.9 Ų44.95%0.05222%0.218CC..Hα-helixtrans-68.2-43171.600000111.6G231 M234 K235 T237 K242 D243G231-G239 VanDerWaalsContact CA-N 3.33Å; M234-G239 PolarHBondContact O-N 3.28Å; K235-G239 CarbonylContact O-C 3.46Å; K235-G239 WeakPolarHBondContact O-CA 3.43Å; T237-G239 PolarHBondContact O-N 2.68Å; G239-K242 PolarHBondContact O-N 2.76Å; G239-D243 PolarHBondContact O-N 3.24Å
240A98.8Very high98.7Very high14 Ų1450.1 Ų50.112%0.11624%0.238CC..Hα-helixtrans-62.7-40.8176.300000111.9K235 T237 K242 D243 W244K235-A240 PolarHBondContact O-N 3.47Å; K235-A240 VanDerWaalsContact O-N 3.15Å; T237-A240 WeakPolarHBondContact O-CB 3.37Å; T237-A240 PolarHBondContact O-N 3.1Å; A240-K242 VanDerWaalsContact C-N 3.32Å; A240-K242 PolarHBondContact O-N 3.17Å; A240-D243 PolarHBondContact O-N 2.87Å; A240-W244 VanDerWaalsContact C-CE3 3.47Å; A240-W244 HydrophobicContact CB-CD2 4.19Å; A240-W244 HydrophobicContact CB-CE3 3.77Å; A240-W244 HydrophobicContact CB-CH2 3.71Å; A240-W244 HydrophobicContact CB-CZ2 4.13Å; A240-W244 HydrophobicContact CB-CZ3 3.52Å; A240-W244 WeakPolarHBondContact O-CB 3.18Å; A240-W244 VanDerWaalsContact O-CE3 3.3Å; A240-W244 PolarHBondContact O-N 3.37Å
241F98.9Very high98.7Very high0 Ų053.7 Ų53.70%026%0.255CS..Hα-helixtrans-52-49.7172.2177.3-90.3000111.8T206 L209 V210 L227 H229 T237 G245 A300 M302T206-F241 HydrophobicContact CG2-CB 4.47Å; T206-F241 HydrophobicContact CG2-CD2 3.59Å; T206-F241 HydrophobicContact CG2-CE2 3.97Å; T206-F241 HydrophobicContact CG2-CG 4.12Å; T206-F241 WeakPolarHBondContact CG2-O 3.28Å; L209-F241 HydrophobicContact CD2-CE2 3.86Å; L209-F241 HydrophobicContact CD2-CZ 3.99Å; V210-F241 HydrophobicContact CG2-CE2 4.31Å; V210-F241 HydrophobicContact CG2-CZ 4.05Å; L227-F241 HydrophobicContact CB-CE1 4.49Å; L227-F241 HydrophobicContact CD2-CE1 4.04Å; H229-F241 HydrophobicContact CB-CD1 4.5Å; T237-F241 PolarHBondContact O-N 3.21Å; F241-G245 PolarHBondContact O-N 3.42Å; F241-A300 WeakPolarHBondContact CE1-O 3.4Å; F241-A300 HydrophobicContact CZ-CB 4.43Å; F241-M302 HydrophobicContact CB-CG 4.1Å; F241-M302 HydrophobicContact CB-SD 4.25Å; F241-M302 HydrophobicContact CD1-CG 4.44Å; F241-M302 HydrophobicContact CD2-CG 3.75Å; F241-M302 HydrophobicContact CE2-CG 4.32Å; F241-M302 HydrophobicContact CG-CG 3.83Å
242K98.9Very high98.7Very high44 Ų4457.7 Ų57.719%0.19127%0.271CS..Hα-helixtrans-63.8-46.5177.6-177.8-133.754.3161.90111.4L227 H229 E238 G239 A240 G245 Y246 D279L227-K242 HydrophobicContact CD1-CG 4.42Å; H229-K242 WeakPolarHBondContact NE2-CD 3.25Å; E238-K242 PolarHBondContact O-N 3.03Å; G239-K242 PolarHBondContact O-N 2.76Å; A240-K242 VanDerWaalsContact C-N 3.32Å; A240-K242 PolarHBondContact O-N 3.17Å; K242-G245 PolarHBondContact O-N 3.25Å; K242-Y246 HydrophobicContact CD-CD2 4.23Å; K242-Y246 HydrophobicContact CD-CE2 3.99Å; K242-Y246 HydrophobicContact CG-CD2 3.91Å; K242-Y246 HydrophobicContact CG-CE2 3.81Å; K242-Y246 VanDerWaalsContact O-CD2 3.32Å; K242-Y246 WeakPolarHBondContact O-CD2 3.45Å; K242-Y246 PolarHBondContact O-N 2.52Å; K242-D279 HydrophobicContact CD-CB 4.16Å; K242-D279 HydrophobicContact CG-CB 3.84Å
243D98.8Very high98.7Very high84 Ų8455.6 Ų55.645%0.44926%0.258SS..Hα-helixtrans-64.3-45.3-178.1-69-28.2000112.1G239 A240 Y246 Q247G239-D243 PolarHBondContact O-N 3.24Å; A240-D243 PolarHBondContact O-N 2.87Å; D243-Y246 PolarHBondContact O-N 3.2Å; D243-Q247 VanDerWaalsContact O-CB 3.31Å; D243-Q247 WeakPolarHBondContact O-CB 3.3Å; D243-Q247 PolarHBondContact O-N 2.9Å
244W98.9Very high98.7Very high55 Ų5552.1 Ų52.121%0.20825%0.253CS..Hα-helixtrans-66.5-36.8175.7-69.7-43.6000112.6E203 T206 A240 Q247 L248E203-W244 HydrophobicContact CB-CD2 3.93Å; E203-W244 HydrophobicContact CB-CE3 4.42Å; E203-W244 HydrophobicContact CB-CG 4.31Å; E203-W244 HydrophobicContact CB-CH2 4.36Å; E203-W244 HydrophobicContact CB-CZ2 3.85Å; E203-W244 HydrophobicContact CG-CD2 4.2Å; E203-W244 HydrophobicContact CG-CG 4.04Å; T206-W244 HydrophobicContact CG2-CB 3.78Å; T206-W244 HydrophobicContact CG2-CE3 4.41Å; A240-W244 VanDerWaalsContact C-CE3 3.47Å; A240-W244 HydrophobicContact CB-CD2 4.19Å; A240-W244 HydrophobicContact CB-CE3 3.77Å; A240-W244 HydrophobicContact CB-CH2 3.71Å; A240-W244 HydrophobicContact CB-CZ2 4.13Å; A240-W244 HydrophobicContact CB-CZ3 3.52Å; A240-W244 WeakPolarHBondContact O-CB 3.18Å; A240-W244 VanDerWaalsContact O-CE3 3.3Å; A240-W244 PolarHBondContact O-N 3.37Å; W244-Q247 PolarHBondContact O-N 3.14Å; W244-L248 WeakPolarHBondContact O-CB 3.48Å; W244-L248 PolarHBondContact O-N 2.85Å
245G98.9Very high98.7Very high0 Ų049.2 Ų49.20%024%0.242CC..Hα-helixtrans-63.2-45.3174.900000112.6F241 K242 L248 A249F241-G245 PolarHBondContact O-N 3.42Å; K242-G245 PolarHBondContact O-N 3.25Å; G245-L248 PolarHBondContact O-N 2.93Å; G245-A249 PolarHBondContact O-N 2.76Å
246Y98.9Very high98.7Very high8 Ų848.8 Ų48.83%0.03124%0.242CC..Hα-helixtrans-66.2-38172.6-83.5-61.1000112.8L227 K242 D243 A249 R250 P262 L264 I277 K278 D279L227-Y246 HydrophobicContact CD1-CD1 4.45Å; L227-Y246 HydrophobicContact CD1-CD2 3.88Å; L227-Y246 HydrophobicContact CD1-CE2 4.1Å; L227-Y246 HydrophobicContact CD1-CG 4.08Å; K242-Y246 HydrophobicContact CD-CD2 4.23Å; K242-Y246 HydrophobicContact CD-CE2 3.99Å; K242-Y246 HydrophobicContact CG-CD2 3.91Å; K242-Y246 HydrophobicContact CG-CE2 3.81Å; K242-Y246 VanDerWaalsContact O-CD2 3.32Å; K242-Y246 WeakPolarHBondContact O-CD2 3.45Å; K242-Y246 PolarHBondContact O-N 2.52Å; D243-Y246 PolarHBondContact O-N 3.2Å; Y246-A249 PolarHBondContact O-N 2.87Å; Y246-R250 PolarHBondContact O-N 2.98Å; Y246-R250 PolarHBondContact O-NH1 2.95Å; Y246-P262 VanDerWaalsContact CE1-O 3.31Å; Y246-P262 WeakPolarHBondContact CE1-O 3.39Å; Y246-P262 HydrophobicContact CE2-CB 4.44Å; Y246-L264 HydrophobicContact CD1-CD1 3.78Å; Y246-L264 HydrophobicContact CD1-CG 3.87Å; Y246-L264 HydrophobicContact CE1-CG 4.21Å; Y246-I277 HydrophobicContact CD1-CG2 4.1Å; Y246-I277 HydrophobicContact CE1-CG2 4.07Å; Y246-I277 WeakPolarHBondContact CE1-O 3.46Å; Y246-K278 VanDerWaalsContact OH-CA 3.26Å; Y246-K278 WeakPolarHBondContact OH-CA 3.39Å; Y246-D279 HydrophobicContact CE2-CB 3.88Å; Y246-D279 VanDerWaalsContact CE2-OD1 3.26Å; Y246-D279 WeakPolarHBondContact CE2-OD1 3.46Å; Y246-D279 PolarHBondContact OH-N 3.02Å; Y246-D279 PolarHBondContact OH-OD1 3.04Å
247Q98.8Very high98.7Very high49 Ų4944.9 Ų44.923%0.22923%0.229CC..Hα-helixtrans-60-47.9175.9178.9-176.54.300111.2D243 W244 A249 R250 E251D243-Q247 VanDerWaalsContact O-CB 3.31Å; D243-Q247 WeakPolarHBondContact O-CB 3.3Å; D243-Q247 PolarHBondContact O-N 2.9Å; W244-Q247 PolarHBondContact O-N 3.14Å; Q247-A249 VanDerWaalsContact C-N 3.34Å; Q247-A249 PolarHBondContact O-N 2.73Å; Q247-R250 PolarHBondContact O-N 2.96Å; Q247-R250 VanDerWaalsContact O-N 3.13Å; Q247-E251 HydrophobicContact CG-CG 4.15Å; Q247-E251 VanDerWaalsContact CG-OE1 3.25Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.44Å; Q247-E251 WeakPolarHBondContact CG-OE2 3.34Å; Q247-E251 PolarHBondContact NE2-OE1 2.9Å; Q247-E251 PolarHBondContact NE2-OE2 2.82Å; Q247-E251 WeakPolarHBondContact O-CB 3.47Å; Q247-E251 WeakPolarHBondContact O-CG 3.43Å; Q247-E251 PolarHBondContact O-N 3.47Å
248L98.9Very high98.7Very high0 Ų046 Ų460%023%0.233CC..Hα-helixtrans-54.8-48.5175.4-178.379.2000111.9K207 V210 R211 I214 W244 G245 R250 E251 E252 F253K207-L248 HydrophobicContact CB-CD1 4.07Å; K207-L248 HydrophobicContact CD-CD1 4.16Å; K207-L248 HydrophobicContact CG-CB 4.3Å; K207-L248 HydrophobicContact CG-CD1 4.03Å; K207-L248 WeakPolarHBondContact O-CD2 3.46Å; V210-L248 HydrophobicContact CB-CD2 3.75Å; V210-L248 HydrophobicContact CG1-CD2 3.81Å; R211-L248 HydrophobicContact CB-CD2 3.89Å; I214-L248 HydrophobicContact CD1-CD2 4.44Å; W244-L248 WeakPolarHBondContact O-CB 3.48Å; W244-L248 PolarHBondContact O-N 2.85Å; G245-L248 PolarHBondContact O-N 2.93Å; L248-R250 PolarHBondContact O-N 3.38Å; L248-E251 PolarHBondContact O-N 3.39Å; L248-E252 HydrophobicContact CD1-CB 4.35Å; L248-E252 HydrophobicContact CD1-CG 3.93Å; L248-E252 WeakPolarHBondContact CD1-OE1 3.34Å; L248-E252 WeakPolarHBondContact CD1-OE2 3.37Å; L248-E252 PolarHBondContact O-N 2.88Å; L248-F253 HydrophobicContact CD2-CE2 4.37Å; L248-F253 HydrophobicContact CG-CE2 4.29Å
249A98.8Very high98.5Very high0 Ų053.9 Ų53.90%028%0.276CS..Hα-helixtrans-57.8-36.8179.200000112.4I214 G245 Y246 Q247 F253 G254 G255 L264 V266 I277I214-A249 HydrophobicContact CD1-CB 3.97Å; G245-A249 PolarHBondContact O-N 2.76Å; Y246-A249 PolarHBondContact O-N 2.87Å; Q247-A249 VanDerWaalsContact C-N 3.34Å; Q247-A249 PolarHBondContact O-N 2.73Å; A249-F253 CarbonylContact O-C 3.35Å; A249-F253 WeakPolarHBondContact O-CA 3.21Å; A249-F253 WeakPolarHBondContact O-CB 3.46Å; A249-F253 PolarHBondContact O-N 3.27Å; A249-G254 PolarHBondContact O-N 3.05Å; A249-G255 PolarHBondContact O-N 3.45Å; A249-L264 HydrophobicContact CB-CD1 3.83Å; A249-V266 HydrophobicContact CB-CG2 4.46Å; A249-I277 HydrophobicContact CB-CG1 4.13Å; A249-I277 HydrophobicContact CB-CG2 4.22Å
250R98.6Very high98.3Very high117 Ų11757 Ų5744%0.44231%0.308SS..Hα-helixtrans-72.2-48.1174.3-65.4-171.6-62-86.20.6112.6Y246 Q247 L248 G254 L264Y246-R250 PolarHBondContact O-N 2.98Å; Y246-R250 PolarHBondContact O-NH1 2.95Å; Q247-R250 PolarHBondContact O-N 2.96Å; Q247-R250 VanDerWaalsContact O-N 3.13Å; L248-R250 PolarHBondContact O-N 3.38Å; R250-G254 PolarHBondContact O-N 3.46Å; R250-L264 HydrophobicContact CG-CD1 3.61Å; R250-L264 HydrophobicContact CG-CD2 4.36Å
251E98.6Very high98Very high114 Ų11458 Ų5853%0.53332%0.32SS..Hα-helixtrans-72.5-41.5-171-72.4175.7170.800112.8K207 Q247 L248K207-E251 IonicContact NZ-OE2 3.55Å; K207-E251 PolarHBondContact NZ-OE2 3.48Å; Q247-E251 HydrophobicContact CG-CG 4.15Å; Q247-E251 VanDerWaalsContact CG-OE1 3.25Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.44Å; Q247-E251 WeakPolarHBondContact CG-OE2 3.34Å; Q247-E251 PolarHBondContact NE2-OE1 2.9Å; Q247-E251 PolarHBondContact NE2-OE2 2.82Å; Q247-E251 WeakPolarHBondContact O-CB 3.47Å; Q247-E251 WeakPolarHBondContact O-CG 3.43Å; Q247-E251 PolarHBondContact O-N 3.47Å; L248-E251 PolarHBondContact O-N 3.39Å
252E98.7Very high97.9Very high93 Ų9361.4 Ų61.444%0.43534%0.342SS..Hα-helixtrans-106.4-26-171.7-65-173.3-158.600113.5R211 L248R211-E252 IonicContact CZ-OE1 2.7Å; R211-E252 IonicContact CZ-OE2 3.16Å; R211-E252 IonicContact NE-OE1 3.53Å; R211-E252 IonicContact NE-OE2 3.89Å; R211-E252 PolarHBondContact NE-OE2 3.42Å; R211-E252 IonicContact NH2-OE1 2.71Å; R211-E252 PolarHBondContact NH2-OE1 3.04Å; R211-E252 IonicContact NH2-OE2 2.81Å; R211-E252 PolarHBondContact NH2-OE2 3.24Å; L248-E252 HydrophobicContact CD1-CB 4.35Å; L248-E252 HydrophobicContact CD1-CG 3.93Å; L248-E252 WeakPolarHBondContact CD1-OE1 3.34Å; L248-E252 WeakPolarHBondContact CD1-OE2 3.37Å; L248-E252 PolarHBondContact O-N 2.88Å
253F98.6Very high97.9Very high39 Ų3964.4 Ų64.417%0.17135%0.352CS..Hα-helixtrans-117.35.6-174.5-61-86.8000114R211 I214 E215 I218 L248 A249 G255 V266R211-F253 HydrophobicContact CG-CE2 4.3Å; R211-F253 HydrophobicContact CG-CZ 4.04Å; I214-F253 HydrophobicContact CB-CD2 4.36Å; I214-F253 HydrophobicContact CB-CE1 4.23Å; I214-F253 HydrophobicContact CB-CE2 4.08Å; I214-F253 HydrophobicContact CB-CZ 4Å; I214-F253 HydrophobicContact CD1-CD2 3.9Å; I214-F253 HydrophobicContact CD1-CE2 4.07Å; I214-F253 HydrophobicContact CG2-CB 4.37Å; I214-F253 HydrophobicContact CG2-CD1 3.49Å; I214-F253 VanDerWaalsContact CG2-CD1 3.49Å; I214-F253 HydrophobicContact CG2-CD2 3.9Å; I214-F253 HydrophobicContact CG2-CE1 3.6Å; I214-F253 HydrophobicContact CG2-CE2 4.01Å; I214-F253 HydrophobicContact CG2-CG 3.64Å; I214-F253 HydrophobicContact CG2-CZ 3.86Å; E215-F253 HydrophobicContact CG-CE1 4.03Å; E215-F253 HydrophobicContact CG-CZ 3.93Å; I218-F253 HydrophobicContact CD1-CD1 3.73Å; I218-F253 HydrophobicContact CD1-CE1 3.9Å; L248-F253 HydrophobicContact CD2-CE2 4.37Å; L248-F253 HydrophobicContact CG-CE2 4.29Å; A249-F253 CarbonylContact O-C 3.35Å; A249-F253 WeakPolarHBondContact O-CA 3.21Å; A249-F253 WeakPolarHBondContact O-CB 3.46Å; A249-F253 PolarHBondContact O-N 3.27Å; F253-G255 VanDerWaalsContact C-N 3.29Å; F253-G255 PolarHBondContact O-N 2.68Å; F253-V266 HydrophobicContact CB-CG1 3.84Å; F253-V266 HydrophobicContact CB-CG2 4.11Å
254G98.2Very high97.9Very high53 Ų5360.4 Ų60.455%0.54633%0.33SS..  trans63.831.1177.100000113.9A249 R250 E256A249-G254 PolarHBondContact O-N 3.05Å; R250-G254 PolarHBondContact O-N 3.46Å; G254-E256 PolarHBondContact O-N 2.68Å
255G98.3Very high97.9Very high10 Ų1060.6 Ų60.610%0.10333%0.333CS..PPolyproline II helixtrans-60.4124.4-179.100000112.9A249 F253 K265A249-G255 PolarHBondContact O-N 3.45Å; F253-G255 VanDerWaalsContact C-N 3.29Å; F253-G255 PolarHBondContact O-N 2.68Å; G255-K265 WeakPolarHBondContact CA-O 3.31Å
256E98.2Very high97.9Very high122 Ų12260.6 Ų60.657%0.5733%0.333SS*.EExtended strand (participates in β ladder)trans-102.3144.6178.9-62.1-178158.500110.9G254 L264 K265G254-E256 PolarHBondContact O-N 2.68Å; E256-L264 CarbonylContact O-C 3.55Å; E256-L264 WeakPolarHBondContact O-CA 3.41Å; E256-K265 HydrophobicContact CB-CG 4.13Å; E256-K265 PolarHBondContact N-O 2.8Å; E256-K265 PolarHBondContact O-N 2.85Å; E256-K265 WeakPolarHBondContact OE2-CE 3.27Å
257L98.1Very high97.8Very high107 Ų10767.3 Ų67.356%0.5636%0.362SS*.EExtended strand (participates in β ladder)trans-64.3135.2178-76.6162.3000111.9L264L257-L264 HydrophobicContact CD2-CD2 3.67Å; L257-L264 HydrophobicContact CG-CD2 3.93Å
258I98.3Very high97.8Very high49 Ų4965 Ų6525%0.25135%0.352SS..SBendtrans-92.5122.6167.1-59168.4000107.6G260 G261 W263 L264 K265 V276I258-G260 PolarHBondContact O-N 2.89Å; I258-G261 PolarHBondContact O-N 2.57Å; I258-W263 HydrophobicContact CD1-CB 4.19Å; I258-W263 PolarHBondContact N-O 3.24Å; I258-L264 WeakPolarHBondContact CD1-O 3.49Å; I258-K265 HydrophobicContact CD1-CB 4.05Å; I258-K265 HydrophobicContact CG1-CB 4.04Å; I258-K265 HydrophobicContact CG1-CD 4.37Å; I258-K265 HydrophobicContact CG1-CG 4.06Å; I258-V276 HydrophobicContact CD1-CG1 4.13Å; I258-V276 HydrophobicContact CD1-CG2 4.46Å
259D95.3Very high97.8Very high168 Ų16869.7 Ų69.790%0.89838%0.382SS*.THydrogen-bonded Turntrans50.129.2170.4-57.5-29.7000116.8
260G93.6Very high97.7Very high72 Ų7275.5 Ų75.574%0.74241%0.413SS*.THydrogen-bonded Turntrans90.80.8-178.400000115.1I258I258-G260 PolarHBondContact O-N 2.89Å
261G92.7Very high97.7Very high34 Ų3473.5 Ų73.535%0.35141%0.414SS..SBendtrans97.3178.1168.600000115.7I258I258-G261 PolarHBondContact O-N 2.57Å
262P97.4Very high97.6Very high72 Ų7269.9 Ų69.947%0.46841%0.407SS..SBendcis-82.4-11.5931.5-33.5000114.7Y246Y246-P262 VanDerWaalsContact CE1-O 3.31Å; Y246-P262 WeakPolarHBondContact CE1-O 3.39Å; Y246-P262 HydrophobicContact CE2-CB 4.44Å
263W98.6Very high97.6Very high106 Ų10668 Ų6840%0.40240%0.398SS..  trans-67.6148.5-173.4-62.21.8000112.1I258 V276 I277 K278I258-W263 HydrophobicContact CD1-CB 4.19Å; I258-W263 PolarHBondContact N-O 3.24Å; W263-V276 HydrophobicContact CE3-CG1 3.99Å; W263-I277 WeakPolarHBondContact CA-O 3.34Å; W263-K278 HydrophobicContact CD2-CB 3.53Å; W263-K278 VanDerWaalsContact CE2-CB 3.44Å; W263-K278 HydrophobicContact CE3-CB 4.14Å; W263-K278 HydrophobicContact CE3-CD 4.44Å; W263-K278 HydrophobicContact CG-CB 3.69Å; W263-K278 HydrophobicContact CH2-CD 3.96Å; W263-K278 HydrophobicContact CZ2-CB 3.99Å; W263-K278 HydrophobicContact CZ2-CD 4.03Å; W263-K278 HydrophobicContact CZ3-CD 4.17Å
264L98.8Very high97.6Very high0 Ų071.4 Ų71.40%041%0.414CS..EExtended strand (participates in β ladder)trans-118158.7176.6-49174.4000110.4Y246 A249 R250 E256 L257 I258 I277Y246-L264 HydrophobicContact CD1-CD1 3.78Å; Y246-L264 HydrophobicContact CD1-CG 3.87Å; Y246-L264 HydrophobicContact CE1-CG 4.21Å; A249-L264 HydrophobicContact CB-CD1 3.83Å; R250-L264 HydrophobicContact CG-CD1 3.61Å; R250-L264 HydrophobicContact CG-CD2 4.36Å; E256-L264 CarbonylContact O-C 3.55Å; E256-L264 WeakPolarHBondContact O-CA 3.41Å; L257-L264 HydrophobicContact CD2-CD2 3.67Å; L257-L264 HydrophobicContact CG-CD2 3.93Å; I258-L264 WeakPolarHBondContact CD1-O 3.49Å; L264-I277 HydrophobicContact CB-CB 4.15Å; L264-I277 HydrophobicContact CB-CG1 4.46Å; L264-I277 PolarHBondContact N-O 2.97Å; L264-I277 PolarHBondContact O-N 2.99Å
265K98.6Very high97.6Very high59 Ų5968.9 Ų68.926%0.25739%0.388SS..EExtended strand (participates in β ladder)trans-114132.4164.254178.9-167.7162.20109.8G255 E256 I258 E274 I275G255-K265 WeakPolarHBondContact CA-O 3.31Å; E256-K265 HydrophobicContact CB-CG 4.13Å; E256-K265 PolarHBondContact N-O 2.8Å; E256-K265 PolarHBondContact O-N 2.85Å; E256-K265 WeakPolarHBondContact OE2-CE 3.27Å; I258-K265 HydrophobicContact CD1-CB 4.05Å; I258-K265 HydrophobicContact CG1-CB 4.04Å; I258-K265 HydrophobicContact CG1-CD 4.37Å; I258-K265 HydrophobicContact CG1-CG 4.06Å; K265-E274 WeakPolarHBondContact CD-OE1 3.37Å; K265-E274 IonicContact NZ-OE1 3.51Å; K265-E274 PolarHBondContact NZ-OE1 3.42Å; K265-E274 IonicContact NZ-OE2 3.16Å; K265-I275 WeakPolarHBondContact CA-O 3.37Å
266V98.8Very high97.7Very high1 Ų170.3 Ų70.31%0.00639%0.394CS..EExtended strand (participates in β ladder)trans-115.7126.1175.3168.50000107.6A249 F253 N268 I275 I277A249-V266 HydrophobicContact CB-CG2 4.46Å; F253-V266 HydrophobicContact CB-CG1 3.84Å; F253-V266 HydrophobicContact CB-CG2 4.11Å; V266-N268 PolarHBondContact O-N 3.08Å; V266-I275 PolarHBondContact N-O 2.96Å; V266-I275 PolarHBondContact O-N 3.13Å; V266-I277 HydrophobicContact CB-CD1 4.49Å; V266-I277 HydrophobicContact CB-CG1 4.38Å; V266-I277 HydrophobicContact CG2-CD1 4.1Å; V266-I277 HydrophobicContact CG2-CG1 3.64Å
267K98.6Very high97.7Very high149 Ų14964.5 Ų64.565%0.64837%0.367SS*.EExtended strand (participates in β ladder)trans-80.1123.3178.6-172.6173.4-177.1176.20110.1P269K267-P269 VanDerWaalsContact O-CD 3.29Å; K267-P269 WeakPolarHBondContact O-CD 3.42Å
268N98.3Very high97.7Very high0 Ų060.1 Ų60.10%034%0.344CS..  trans-63.3116.6170.9-172.8-28000109.1I218 D221 V266 N270 T271 G272 K273 I275I218-N268 PolarHBondContact O-ND2 2.99Å; D221-N268 PolarHBondContact OD1-ND2 2.75Å; V266-N268 PolarHBondContact O-N 3.08Å; N268-N270 PolarHBondContact O-N 2.96Å; N268-N270 WeakPolarHBondContact OD1-CB 3.23Å; N268-N270 PolarHBondContact OD1-N 3.28Å; N268-T271 WeakPolarHBondContact CB-OG1 3.5Å; N268-T271 VanDerWaalsContact CG-OG1 3.24Å; N268-T271 PolarHBondContact ND2-OG1 2.83Å; N268-G272 VanDerWaalsContact O-CA 3.26Å; N268-G272 WeakPolarHBondContact O-CA 3.25Å; N268-G272 PolarHBondContact O-N 3.04Å; N268-K273 HydrophobicContact CB-CB 4.33Å; N268-K273 WeakPolarHBondContact CB-O 3.33Å; N268-K273 PolarHBondContact N-O 3.08Å; N268-I275 HydrophobicContact CB-CD1 4.13Å; N268-I275 HydrophobicContact CB-CG1 4.38Å
269P98.2Very high97.8Very high99 Ų9959.2 Ų59.264%0.64334%0.339SS*.THydrogen-bonded Turntrans-66.2-21.3-178.126.9-35.8000113.6I218 K267I218-P269 HydrophobicContact CG2-CG 3.96Å; K267-P269 VanDerWaalsContact O-CD 3.29Å; K267-P269 WeakPolarHBondContact O-CD 3.42Å
270N97.1Very high97.9Very high121 Ų12152.2 Ų52.265%0.64730%0.303SS*.THydrogen-bonded Turntrans-88.9-37.9-176.2-56.8-39.2000112.5N268N268-N270 PolarHBondContact O-N 2.96Å; N268-N270 WeakPolarHBondContact OD1-CB 3.23Å; N268-N270 PolarHBondContact OD1-N 3.28Å
271T97.6Very high98.2Very high75 Ų7550.9 Ų50.946%0.4628%0.278SS..THydrogen-bonded Turntrans-115.5-16.5-172660000113.6D221 N268 K273D221-T271 HydrophobicContact CB-CG2 4.12Å; D221-T271 WeakPolarHBondContact OD1-CB 3.49Å; D221-T271 WeakPolarHBondContact OD1-CG2 3.25Å; D221-T271 PolarHBondContact OD1-OG1 3.48Å; N268-T271 WeakPolarHBondContact CB-OG1 3.5Å; N268-T271 VanDerWaalsContact CG-OG1 3.24Å; N268-T271 PolarHBondContact ND2-OG1 2.83Å; T271-K273 PolarHBondContact O-N 3.39Å; T271-K273 WeakPolarHBondContact OG1-CB 3.35Å; T271-K273 PolarHBondContact OG1-N 2.89Å
272G97.9Very high98.4Very high38 Ų3849.8 Ų49.839%0.39227%0.266SS..  trans77.2-3-174.500000114.8N268N268-G272 VanDerWaalsContact O-CA 3.26Å; N268-G272 WeakPolarHBondContact O-CA 3.25Å; N268-G272 PolarHBondContact O-N 3.04Å
273K98.4Very high98.5Very high55 Ų5550.5 Ų50.524%0.23927%0.266CS..  trans-61.1140176.6-174.5178.1178.1177.20111.2D221 D223 N268 T271D221-K273 PolarHBondContact O-NZ 3.38Å; D221-K273 WeakPolarHBondContact OD1-CD 3.42Å; D223-K273 WeakPolarHBondContact OD1-CE 3.41Å; D223-K273 IonicContact OD1-NZ 3.13Å; D223-K273 PolarHBondContact OD1-NZ 2.99Å; D223-K273 IonicContact OD2-NZ 3.97Å; D223-K273 PolarHBondContact OD2-NZ 2.74Å; N268-K273 HydrophobicContact CB-CB 4.33Å; N268-K273 WeakPolarHBondContact CB-O 3.33Å; N268-K273 PolarHBondContact N-O 3.08Å; T271-K273 PolarHBondContact O-N 3.39Å; T271-K273 WeakPolarHBondContact OG1-CB 3.35Å; T271-K273 PolarHBondContact OG1-N 2.89Å
274E98.6Very high98.5Very high110 Ų11047.1 Ų47.151%0.51426%0.261SS..EExtended strand (participates in β ladder)trans-85.5115.2173-67-171.8156.200109.6K265K265-E274 WeakPolarHBondContact CD-OE1 3.37Å; K265-E274 IonicContact NZ-OE1 3.51Å; K265-E274 PolarHBondContact NZ-OE1 3.42Å; K265-E274 IonicContact NZ-OE2 3.16Å
275I98.8Very high98.5Very high0 Ų047.1 Ų47.10%026%0.261CS..EExtended strand (participates in β ladder)trans-88.8122.2174.9-54176.5000108.1A217 I218 D223 V225 K265 V266 N268 I277A217-I275 HydrophobicContact CB-CD1 4.1Å; A217-I275 HydrophobicContact CB-CG2 4.21Å; I218-I275 HydrophobicContact CB-CD1 4.49Å; I218-I275 HydrophobicContact CG1-CD1 3.68Å; D223-I275 WeakPolarHBondContact O-CA 3.46Å; V225-I275 HydrophobicContact CG2-CG2 4.31Å; K265-I275 WeakPolarHBondContact CA-O 3.37Å; V266-I275 PolarHBondContact N-O 2.96Å; V266-I275 PolarHBondContact O-N 3.13Å; N268-I275 HydrophobicContact CB-CD1 4.13Å; N268-I275 HydrophobicContact CB-CG1 4.38Å; I275-I277 HydrophobicContact CG2-CD1 4.25Å
276V98.9Very high98.5Very high39 Ų3947.6 Ų47.624%0.23627%0.265CS..EExtended strand (participates in β ladder)trans-82.4122.4179-179.30000110.2D223 S224 V225 I258 W263 K278D223-V276 PolarHBondContact O-N 2.91Å; S224-V276 CarbonylContact C-O 3.51Å; S224-V276 WeakPolarHBondContact CA-O 3.14Å; S224-V276 WeakPolarHBondContact CB-O 3.35Å; V225-V276 PolarHBondContact N-O 2.88Å; I258-V276 HydrophobicContact CD1-CG1 4.13Å; I258-V276 HydrophobicContact CD1-CG2 4.46Å; W263-V276 HydrophobicContact CE3-CG1 3.99Å; V276-K278 HydrophobicContact CG1-CB 4.23Å; V276-K278 HydrophobicContact CG1-CD 4.3Å; V276-K278 HydrophobicContact CG1-CG 4.38Å
277I98.9Very high98.5Very high0 Ų053.6 Ų53.60%029%0.293CS..EExtended strand (participates in β ladder)trans-97.1117.5169.3-44.4-58.9000107.8I214 V225 Y246 A249 W263 L264 V266 I275I214-I277 HydrophobicContact CD1-CD1 4.38Å; I214-I277 HydrophobicContact CG1-CD1 4.19Å; V225-I277 HydrophobicContact CB-CD1 3.79Å; V225-I277 HydrophobicContact CG2-CD1 3.97Å; V225-I277 WeakPolarHBondContact O-CA 3.45Å; Y246-I277 HydrophobicContact CD1-CG2 4.1Å; Y246-I277 HydrophobicContact CE1-CG2 4.07Å; Y246-I277 WeakPolarHBondContact CE1-O 3.46Å; A249-I277 HydrophobicContact CB-CG1 4.13Å; A249-I277 HydrophobicContact CB-CG2 4.22Å; W263-I277 WeakPolarHBondContact CA-O 3.34Å; L264-I277 HydrophobicContact CB-CB 4.15Å; L264-I277 HydrophobicContact CB-CG1 4.46Å; L264-I277 PolarHBondContact N-O 2.97Å; L264-I277 PolarHBondContact O-N 2.99Å; V266-I277 HydrophobicContact CB-CD1 4.49Å; V266-I277 HydrophobicContact CB-CG1 4.38Å; V266-I277 HydrophobicContact CG2-CD1 4.1Å; V266-I277 HydrophobicContact CG2-CG1 3.64Å; I275-I277 HydrophobicContact CG2-CD1 4.25Å
278K98.9Very high98.5Very high16 Ų1648.9 Ų48.97%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-138.3173.4-173.856.9-179.4178.6-172.80111.9V225 T226 L227 Y246 W263 V276 E295V225-K278 PolarHBondContact O-N 2.8Å; T226-K278 CarbonylContact C-O 3.45Å; T226-K278 WeakPolarHBondContact CA-O 3.41Å; T226-K278 HydrophobicContact CG2-CG 4.22Å; T226-K278 WeakPolarHBondContact OG1-CE 3.28Å; L227-K278 PolarHBondContact N-O 3.18Å; Y246-K278 VanDerWaalsContact OH-CA 3.26Å; Y246-K278 WeakPolarHBondContact OH-CA 3.39Å; W263-K278 HydrophobicContact CD2-CB 3.53Å; W263-K278 VanDerWaalsContact CE2-CB 3.44Å; W263-K278 HydrophobicContact CE3-CB 4.14Å; W263-K278 HydrophobicContact CE3-CD 4.44Å; W263-K278 HydrophobicContact CG-CB 3.69Å; W263-K278 HydrophobicContact CH2-CD 3.96Å; W263-K278 HydrophobicContact CZ2-CB 3.99Å; W263-K278 HydrophobicContact CZ2-CD 4.03Å; W263-K278 HydrophobicContact CZ3-CD 4.17Å; V276-K278 HydrophobicContact CG1-CB 4.23Å; V276-K278 HydrophobicContact CG1-CD 4.3Å; V276-K278 HydrophobicContact CG1-CG 4.38Å; K278-E295 PolarHBondContact NZ-O 3.42Å
279D98.9Very high98.5Very high29 Ų2949 Ų4916%0.15528%0.275CS..EExtended strand (participates in β ladder)trans-136.1151.9175.671-80.5000112.2L227 H229 K242 Y246L227-D279 HydrophobicContact CB-CB 4.09Å; L227-D279 WeakPolarHBondContact O-CA 3.5Å; L227-D279 WeakPolarHBondContact O-CB 3.41Å; H229-D279 IonicContact NE2-OD2 3.42Å; H229-D279 PolarHBondContact NE2-OD2 3.31Å; K242-D279 HydrophobicContact CD-CB 4.16Å; K242-D279 HydrophobicContact CG-CB 3.84Å; Y246-D279 HydrophobicContact CE2-CB 3.88Å; Y246-D279 VanDerWaalsContact CE2-OD1 3.26Å; Y246-D279 WeakPolarHBondContact CE2-OD1 3.46Å; Y246-D279 PolarHBondContact OH-N 3.02Å; Y246-D279 PolarHBondContact OH-OD1 3.04Å
280V98.7Very high98.5Very high21 Ų2149.2 Ų49.213%0.12727%0.27CS..EExtended strand (participates in β ladder)trans-142.7140.5173.3-176.50000109.6T226 L227 V228 H229 A282 A284 F285 Y296T226-V280 HydrophobicContact CG2-CB 4.35Å; T226-V280 HydrophobicContact CG2-CG2 3.95Å; L227-V280 PolarHBondContact O-N 3.46Å; V228-V280 WeakPolarHBondContact CA-O 3.35Å; H229-V280 PolarHBondContact N-O 2.77Å; V280-A282 PolarHBondContact O-N 2.87Å; V280-A284 HydrophobicContact CG1-CB 4.3Å; V280-F285 HydrophobicContact CB-CB 4.26Å; V280-F285 HydrophobicContact CB-CD2 4.19Å; V280-F285 HydrophobicContact CG1-CB 3.76Å; V280-F285 HydrophobicContact CG1-CD2 4.28Å; V280-Y296 HydrophobicContact CG2-CE1 3.82Å
281I98.7Very high98.6Very high44 Ų4449.6 Ų49.623%0.22627%0.271CS..EExtended strand (participates in β ladder)trans-68.6131.5175-51.7-64.1000110H229 K230 N232 D283 A284 F285H229-I281 CarbonylContact O-C 3.3Å; H229-I281 WeakPolarHBondContact O-CA 3.43Å; K230-I281 HydrophobicContact CD-CG2 3.59Å; N232-I281 HydrophobicContact CB-CD1 4.43Å; I281-D283 VanDerWaalsContact C-N 3.33Å; I281-D283 WeakPolarHBondContact CG2-OD1 3.45Å; I281-D283 PolarHBondContact O-N 3.17Å; I281-D283 VanDerWaalsContact O-N 3.14Å; I281-A284 CarbonylContact O-C 3.59Å; I281-A284 WeakPolarHBondContact O-CA 3.34Å; I281-A284 WeakPolarHBondContact O-CB 3.45Å; I281-A284 PolarHBondContact O-N 2.85Å; I281-F285 PolarHBondContact O-N 2.77Å
282A98.7Very high98.6Very high12 Ų1252.3 Ų52.310%0.09927%0.273CS..Hα-helixtrans-53.3-39.1-168.700000115.5V228 H229 V280 F285 L286V228-A282 HydrophobicContact CG1-CB 3.86Å; H229-A282 PolarHBondContact O-N 2.9Å; V280-A282 PolarHBondContact O-N 2.87Å; A282-F285 PolarHBondContact O-N 2.94Å; A282-L286 WeakPolarHBondContact O-CG 3.4Å; A282-L286 PolarHBondContact O-N 3.48Å; A282-L286 VanDerWaalsContact O-N 3.16Å
283D98.3Very high98.7Very high87 Ų8751 Ų5147%0.46526%0.257SS..Hα-helixtrans-69.9-39176.859-25.7000113K230 I281 F285K230-D283 IonicContact NZ-OD1 3.63Å; K230-D283 PolarHBondContact NZ-OD1 3.35Å; K230-D283 IonicContact NZ-OD2 2.68Å; K230-D283 PolarHBondContact NZ-OD2 3.35Å; I281-D283 VanDerWaalsContact C-N 3.33Å; I281-D283 WeakPolarHBondContact CG2-OD1 3.45Å; I281-D283 PolarHBondContact O-N 3.17Å; I281-D283 VanDerWaalsContact O-N 3.14Å; D283-F285 VanDerWaalsContact C-N 3.34Å
284A98.6Very high98.7Very high35 Ų3552 Ų5229%0.28928%0.275SS..Hα-helixtrans-67.5-37.917200000111V280 I281 L286 Q287 Q288V280-A284 HydrophobicContact CG1-CB 4.3Å; I281-A284 CarbonylContact O-C 3.59Å; I281-A284 WeakPolarHBondContact O-CA 3.34Å; I281-A284 WeakPolarHBondContact O-CB 3.45Å; I281-A284 PolarHBondContact O-N 2.85Å; A284-L286 VanDerWaalsContact C-N 3.33Å; A284-L286 PolarHBondContact O-N 3.01Å; A284-Q287 WeakPolarHBondContact O-CB 3.33Å; A284-Q287 PolarHBondContact O-N 3.27Å; A284-Q288 VanDerWaalsContact O-CG 3.31Å; A284-Q288 WeakPolarHBondContact O-CG 3.43Å; A284-Q288 PolarHBondContact O-N 2.91Å
285F98.8Very high98.7Very high0 Ų050.9 Ų50.90%027%0.27CS..Hα-helixtrans-59.3-41.8178.7-176.5-103.9000112.2V228 V280 I281 A282 D283 Q287 Q288 I289 Y296 I299 I309V228-F285 HydrophobicContact CG1-CB 3.89Å; V228-F285 HydrophobicContact CG1-CD1 3.9Å; V228-F285 HydrophobicContact CG1-CG 3.9Å; V228-F285 HydrophobicContact CG2-CB 4.42Å; V228-F285 HydrophobicContact CG2-CD1 3.91Å; V228-F285 HydrophobicContact CG2-CD2 3.74Å; V228-F285 HydrophobicContact CG2-CE1 4.08Å; V228-F285 HydrophobicContact CG2-CE2 3.91Å; V228-F285 HydrophobicContact CG2-CG 3.74Å; V228-F285 HydrophobicContact CG2-CZ 4.08Å; V280-F285 HydrophobicContact CB-CB 4.26Å; V280-F285 HydrophobicContact CB-CD2 4.19Å; V280-F285 HydrophobicContact CG1-CB 3.76Å; V280-F285 HydrophobicContact CG1-CD2 4.28Å; I281-F285 PolarHBondContact O-N 2.77Å; A282-F285 PolarHBondContact O-N 2.94Å; D283-F285 VanDerWaalsContact C-N 3.34Å; F285-Q287 PolarHBondContact O-N 3.42Å; F285-Q288 WeakPolarHBondContact O-CA 3.25Å; F285-Q288 WeakPolarHBondContact O-CB 3.39Å; F285-Q288 PolarHBondContact O-N 3.39Å; F285-I289 HydrophobicContact CD1-CG2 4Å; F285-I289 HydrophobicContact CD2-CG2 4.35Å; F285-I289 HydrophobicContact CE1-CG2 3.43Å; F285-I289 VanDerWaalsContact CE1-CG2 3.43Å; F285-I289 HydrophobicContact CE2-CG2 3.83Å; F285-I289 HydrophobicContact CG-CG2 4.42Å; F285-I289 HydrophobicContact CZ-CG2 3.34Å; F285-I289 PolarHBondContact O-N 2.75Å; F285-Y296 HydrophobicContact CD2-CD1 4.21Å; F285-Y296 AromaticContact CD2-CE1 3.92Å; F285-Y296 HydrophobicContact CD2-CE1 3.92Å; F285-Y296 AromaticContact CE2-CD1 3.54Å; F285-Y296 HydrophobicContact CE2-CD1 3.54Å; F285-Y296 HydrophobicContact CE2-CD2 4.34Å; F285-Y296 AromaticContact CE2-CE1 3.74Å; F285-Y296 HydrophobicContact CE2-CE1 3.74Å; F285-Y296 AromaticContact CE2-CG 3.84Å; F285-Y296 HydrophobicContact CE2-CG 3.84Å; F285-I299 HydrophobicContact CE2-CD1 3.77Å; F285-I299 HydrophobicContact CZ-CD1 3.49Å; F285-I299 VanDerWaalsContact CZ-CD1 3.49Å; F285-I299 HydrophobicContact CZ-CG1 3.94Å; F285-I299 HydrophobicContact CZ-CG2 4.34Å; F285-I309 HydrophobicContact CD1-CD1 3.84Å; F285-I309 HydrophobicContact CD1-CG1 3.97Å; F285-I309 HydrophobicContact CE1-CD1 3.92Å; F285-I309 HydrophobicContact CE1-CG1 4Å; F285-I309 HydrophobicContact CE1-CG2 3.72Å
286L98.7Very high98.7Very high68 Ų6851.7 Ų51.736%0.35627%0.273SS..Hα-helixtrans-61.2-26.4175.2-68.8177.5000113.5A282 A284 I289 I309 A312A282-L286 WeakPolarHBondContact O-CG 3.4Å; A282-L286 PolarHBondContact O-N 3.48Å; A282-L286 VanDerWaalsContact O-N 3.16Å; A284-L286 VanDerWaalsContact C-N 3.33Å; A284-L286 PolarHBondContact O-N 3.01Å; L286-I289 HydrophobicContact CD2-CD1 4.1Å; L286-I289 WeakPolarHBondContact O-CG1 3.45Å; L286-I309 HydrophobicContact CD2-CG1 4.2Å; L286-A312 HydrophobicContact CD2-CB 4.25Å
287Q98.6Very high98.7Very high127 Ų12750.4 Ų50.459%0.59327%0.265SS*.Hα-helixtrans-77.5-41.2169.8-58.6-178.5-8.200111A284 F285 I289 L290 L291A284-Q287 WeakPolarHBondContact O-CB 3.33Å; A284-Q287 PolarHBondContact O-N 3.27Å; F285-Q287 PolarHBondContact O-N 3.42Å; Q287-I289 PolarHBondContact O-N 3.21Å; Q287-L290 PolarHBondContact O-N 2.9Å; Q287-L291 HydrophobicContact CB-CD1 4.44Å; Q287-L291 WeakPolarHBondContact O-CG 3.19Å; Q287-L291 PolarHBondContact O-N 3.47Å; Q287-L291 VanDerWaalsContact O-N 3.1Å
288Q98.8Very high98.7Very high51 Ų5150.4 Ų50.424%0.23827%0.265CS..Hα-helixtrans-65.8-36.2-175.6-70.5-66-10.500113.5A284 F285 L290 L291 R292 Y296A284-Q288 VanDerWaalsContact O-CG 3.31Å; A284-Q288 WeakPolarHBondContact O-CG 3.43Å; A284-Q288 PolarHBondContact O-N 2.91Å; F285-Q288 WeakPolarHBondContact O-CA 3.25Å; F285-Q288 WeakPolarHBondContact O-CB 3.39Å; F285-Q288 PolarHBondContact O-N 3.39Å; Q288-L290 PolarHBondContact O-N 3.2Å; Q288-L291 PolarHBondContact O-N 3.21Å; Q288-R292 CarbonylContact O-C 3.43Å; Q288-R292 VanDerWaalsContact O-C 3.28Å; Q288-R292 WeakPolarHBondContact O-CA 3.31Å; Q288-R292 PolarHBondContact O-N 2.92Å; Q288-Y296 HydrophobicContact CB-CE2 3.63Å; Q288-Y296 VanDerWaalsContact CB-OH 3.27Å; Q288-Y296 WeakPolarHBondContact CB-OH 3.4Å; Q288-Y296 WeakPolarHBondContact CG-OH 3.47Å
289I98.5Very high98.7Very high3 Ų349.7 Ų49.72%0.01526%0.262CS..Hα-helixtrans-64.2-20.6176.659.8174.4000113.6M149 F285 L286 Q287 P293 A312 L313 Q316M149-I289 HydrophobicContact CE-CB 4.4Å; M149-I289 HydrophobicContact CE-CG2 4.1Å; M149-I289 HydrophobicContact SD-CG2 4.13Å; F285-I289 HydrophobicContact CD1-CG2 4Å; F285-I289 HydrophobicContact CD2-CG2 4.35Å; F285-I289 HydrophobicContact CE1-CG2 3.43Å; F285-I289 VanDerWaalsContact CE1-CG2 3.43Å; F285-I289 HydrophobicContact CE2-CG2 3.83Å; F285-I289 HydrophobicContact CG-CG2 4.42Å; F285-I289 HydrophobicContact CZ-CG2 3.34Å; F285-I289 PolarHBondContact O-N 2.75Å; L286-I289 HydrophobicContact CD2-CD1 4.1Å; L286-I289 WeakPolarHBondContact O-CG1 3.45Å; Q287-I289 PolarHBondContact O-N 3.21Å; I289-P293 WeakPolarHBondContact O-CB 3.47Å; I289-A312 HydrophobicContact CD1-CB 4.24Å; I289-L313 HydrophobicContact CB-CD2 3.78Å; I289-L313 HydrophobicContact CD1-CD2 3.87Å; I289-L313 HydrophobicContact CD1-CG 4.01Å; I289-L313 HydrophobicContact CG1-CD2 4.35Å; I289-L313 HydrophobicContact CG2-CD2 3.97Å; I289-Q316 PolarHBondContact O-NE2 3.35Å; I289-Q316 PolarHBondContact O-OE1 3.38Å
290L98.6Very high98.7Very high103 Ų10348.3 Ų48.354%0.53926%0.255SS..Hα-helixtrans-90.6-39.6173-69.1170.9000112.2V141 Q287 Q288 Q316V141-L290 HydrophobicContact CG1-CD2 3.78Å; Q287-L290 PolarHBondContact O-N 2.9Å; Q288-L290 PolarHBondContact O-N 3.2Å; L290-Q316 HydrophobicContact CD2-CB 4.21Å
291L98.5Very high98.7Very high128 Ų12847.3 Ų47.367%0.6725%0.249SC*.Hα-helixtrans-87.1-33.9-171.9-63.8175.5000113.4Q287 Q288Q287-L291 HydrophobicContact CB-CD1 4.44Å; Q287-L291 WeakPolarHBondContact O-CG 3.19Å; Q287-L291 PolarHBondContact O-N 3.47Å; Q287-L291 VanDerWaalsContact O-N 3.1Å; Q288-L291 PolarHBondContact O-N 3.21Å
292R98.6Very high98.7Very high133 Ų13345.2 Ų45.250%0.50224%0.238SC..  trans-141.649.8-174.2-59.8179.4175.5-104.5-0.6111.6Q288 A294 E295 Y296Q288-R292 CarbonylContact O-C 3.43Å; Q288-R292 VanDerWaalsContact O-C 3.28Å; Q288-R292 WeakPolarHBondContact O-CA 3.31Å; Q288-R292 PolarHBondContact O-N 2.92Å; R292-A294 VanDerWaalsContact C-N 3.26Å; R292-A294 PolarHBondContact O-N 3.13Å; R292-E295 HydrophobicContact CB-CB 4.41Å; R292-E295 HydrophobicContact CB-CG 4.1Å; R292-E295 VanDerWaalsContact CD-OE1 3.3Å; R292-E295 WeakPolarHBondContact CD-OE1 3.48Å; R292-E295 IonicContact CZ-OE1 2.79Å; R292-E295 IonicContact NE-OE1 2.62Å; R292-E295 IonicContact NH1-OE1 2.77Å; R292-E295 PolarHBondContact NH1-OE1 2.85Å; R292-E295 PolarHBondContact O-N 3.2Å; R292-E295 VanDerWaalsContact O-N 3.07Å; R292-Y296 WeakPolarHBondContact O-CD2 3.46Å; R292-Y296 WeakPolarHBondContact O-CE2 3.4Å
293P98.6Very high98.6Very high11 Ų1144.8 Ų44.87%0.07123%0.234CC..G310 helixtrans-55.4-40.3-177.720.1-31.5000112.9L146 M149 I289 E295 Y296L146-P293 HydrophobicContact CB-CB 4.42Å; L146-P293 HydrophobicContact CB-CG 3.76Å; L146-P293 CarbonylContact O-C 3.28Å; M149-P293 HydrophobicContact CE-CB 3.91Å; M149-P293 WeakPolarHBondContact CE-O 3.26Å; I289-P293 WeakPolarHBondContact O-CB 3.47Å; P293-E295 PolarHBondContact O-N 3.26Å; P293-Y296 PolarHBondContact O-N 3.24Å
294A98.5Very high98.6Very high74 Ų7442.8 Ų42.861%0.61222%0.223SC*.G310 helixtrans-63.8-10.8-179.500000115L146 R292 Y296L146-A294 HydrophobicContact CB-CB 4.43Å; L146-A294 PolarHBondContact O-N 2.7Å; R292-A294 VanDerWaalsContact C-N 3.26Å; R292-A294 PolarHBondContact O-N 3.13Å; A294-Y296 VanDerWaalsContact C-N 3.31Å
295E98.7Very high98.6Very high88 Ų8842 Ų4241%0.41121%0.214SC..G310 helixtrans-83-8.2174.4-66.7-177.1-167.500112.5K278 R292 P293K278-E295 PolarHBondContact NZ-O 3.42Å; R292-E295 HydrophobicContact CB-CB 4.41Å; R292-E295 HydrophobicContact CB-CG 4.1Å; R292-E295 VanDerWaalsContact CD-OE1 3.3Å; R292-E295 WeakPolarHBondContact CD-OE1 3.48Å; R292-E295 IonicContact CZ-OE1 2.79Å; R292-E295 IonicContact NE-OE1 2.62Å; R292-E295 IonicContact NH1-OE1 2.77Å; R292-E295 PolarHBondContact NH1-OE1 2.85Å; R292-E295 PolarHBondContact O-N 3.2Å; R292-E295 VanDerWaalsContact O-N 3.07Å; P293-E295 PolarHBondContact O-N 3.26Å
296Y98.8Very high98.5Very high17 Ų1742 Ų427%0.06721%0.214CC..  trans-122.1143.6-175.6-55.3-83.5000111.7M149 T226 V280 F285 Q288 R292 P293 A294 I299M149-Y296 HydrophobicContact CE-CD2 4.32Å; M149-Y296 HydrophobicContact CE-CG 4.46Å; T226-Y296 HydrophobicContact CG2-CD1 4.06Å; T226-Y296 HydrophobicContact CG2-CE1 4.11Å; V280-Y296 HydrophobicContact CG2-CE1 3.82Å; F285-Y296 HydrophobicContact CD2-CD1 4.21Å; F285-Y296 AromaticContact CD2-CE1 3.92Å; F285-Y296 HydrophobicContact CD2-CE1 3.92Å; F285-Y296 AromaticContact CE2-CD1 3.54Å; F285-Y296 HydrophobicContact CE2-CD1 3.54Å; F285-Y296 HydrophobicContact CE2-CD2 4.34Å; F285-Y296 AromaticContact CE2-CE1 3.74Å; F285-Y296 HydrophobicContact CE2-CE1 3.74Å; F285-Y296 AromaticContact CE2-CG 3.84Å; F285-Y296 HydrophobicContact CE2-CG 3.84Å; Q288-Y296 HydrophobicContact CB-CE2 3.63Å; Q288-Y296 VanDerWaalsContact CB-OH 3.27Å; Q288-Y296 WeakPolarHBondContact CB-OH 3.4Å; Q288-Y296 WeakPolarHBondContact CG-OH 3.47Å; R292-Y296 WeakPolarHBondContact O-CD2 3.46Å; R292-Y296 WeakPolarHBondContact O-CE2 3.4Å; P293-Y296 PolarHBondContact O-N 3.24Å; A294-Y296 VanDerWaalsContact C-N 3.31Å; Y296-I299 HydrophobicContact CD1-CD1 4.4Å
297D98.7Very high98.3Very high12 Ų1240.3 Ų40.36%0.06421%0.205CC..  trans-131.6-90-176-171.5-17.1000109.9M149 V150 R222 D223M149-D297 CarbonylContact C-O 3.53Å; M149-D297 WeakPolarHBondContact CA-O 3.36Å; M149-D297 WeakPolarHBondContact CB-O 3.37Å; V150-D297 PolarHBondContact N-O 3.46Å; R222-D297 WeakPolarHBondContact CA-OD2 3.31Å; R222-D297 VanDerWaalsContact CB-OD2 3.25Å; R222-D297 WeakPolarHBondContact CB-OD2 3.47Å; R222-D297 IonicContact CZ-OD1 3.18Å; R222-D297 IonicContact CZ-OD2 2.85Å; R222-D297 IonicContact NE-OD1 2.73Å; R222-D297 PolarHBondContact NE-OD1 3.47Å; R222-D297 IonicContact NE-OD2 3.29Å; R222-D297 PolarHBondContact NE-OD2 2.91Å; R222-D297 IonicContact NH2-OD1 2.61Å; R222-D297 PolarHBondContact NH2-OD1 3.41Å; D223-D297 PolarHBondContact N-OD2 3.39Å
298V98.8Very high98.3Very high0 Ų040.8 Ų40.80%020%0.203CC..EExtended strand (participates in β ladder)trans-85.8133.4174.7-176.80000109.6V150 F152 A213 Y216 A217 R222 S224 V225 T226V150-V298 WeakPolarHBondContact O-CA 3.37Å; F152-V298 HydrophobicContact CD2-CG1 3.71Å; F152-V298 HydrophobicContact CE2-CG1 3.9Å; A213-V298 HydrophobicContact CB-CG1 4.06Å; Y216-V298 HydrophobicContact CD1-CG2 4.02Å; Y216-V298 HydrophobicContact CE1-CG2 4.33Å; A217-V298 HydrophobicContact CB-CG2 4.13Å; R222-V298 HydrophobicContact CB-CG2 3.8Å; R222-V298 HydrophobicContact CG-CG2 3.84Å; S224-V298 VanDerWaalsContact O-CB 3.31Å; S224-V298 WeakPolarHBondContact O-CB 3.35Å; S224-V298 PolarHBondContact O-N 2.98Å; V225-V298 CarbonylContact C-O 3.47Å; V225-V298 VanDerWaalsContact CA-O 3.31Å; V225-V298 WeakPolarHBondContact CA-O 3.33Å; V225-V298 HydrophobicContact CG1-CG1 4.43Å; V225-V298 HydrophobicContact CG2-CB 4.14Å; V225-V298 HydrophobicContact CG2-CG1 4.29Å; T226-V298 PolarHBondContact N-O 2.84Å
299I98.9Very high98.3Very high0 Ų038.5 Ų38.50%019%0.192CC..EExtended strand (participates in β ladder)trans-116.9130.1178.4-51.3-58000108.7V150 I151 F152 T226 V228 F285 Y296V150-I299 PolarHBondContact O-N 2.8Å; I151-I299 HydrophobicContact CD1-CB 3.56Å; I151-I299 HydrophobicContact CD1-CG1 3.38Å; I151-I299 HydrophobicContact CD1-CG2 4.26Å; F152-I299 WeakPolarHBondContact CA-O 3.33Å; F152-I299 WeakPolarHBondContact CB-O 3.5Å; F152-I299 PolarHBondContact N-O 2.85Å; T226-I299 WeakPolarHBondContact O-CA 3.47Å; V228-I299 HydrophobicContact CB-CG2 4.28Å; V228-I299 HydrophobicContact CG2-CG2 3.65Å; F285-I299 HydrophobicContact CE2-CD1 3.77Å; F285-I299 HydrophobicContact CZ-CD1 3.49Å; F285-I299 VanDerWaalsContact CZ-CD1 3.49Å; F285-I299 HydrophobicContact CZ-CG1 3.94Å; F285-I299 HydrophobicContact CZ-CG2 4.34Å; Y296-I299 HydrophobicContact CD1-CD1 4.4Å
300A98.9Very high98.1Very high0 Ų038.5 Ų38.50%019%0.192CC..EExtended strand (participates in β ladder)trans-117.7126.2170.100000109.4F152 V210 A213 V225 T226 L227 V228 F241F152-A300 WeakPolarHBondContact O-CA 3.38Å; V210-A300 HydrophobicContact CG2-CB 4.34Å; A213-A300 HydrophobicContact CB-CB 4.01Å; V225-A300 HydrophobicContact CG1-CB 4.34Å; T226-A300 PolarHBondContact O-N 2.75Å; L227-A300 WeakPolarHBondContact CA-O 3.2Å; L227-A300 HydrophobicContact CD2-CB 4.08Å; V228-A300 PolarHBondContact N-O 3.32Å; F241-A300 WeakPolarHBondContact CE1-O 3.4Å; F241-A300 HydrophobicContact CZ-CB 4.43Å
301C98.9Very high97.9Very high0 Ų037.9 Ų37.90%019%0.189CC..EExtended strand (participates in β ladder)trans-153159.9-173.761.20000112.9F152 E154 L209 V228 N305 G306 I309F152-C301 PolarHBondContact O-N 3.03Å; E154-C301 PolarHBondContact N-O 2.94Å; L209-C301 WeakPolarHBondContact CD2-O 3.32Å; V228-C301 HydrophobicContact CB-CB 4.1Å; V228-C301 WeakPolarHBondContact O-CB 3.14Å; C301-N305 HydrophobicContact CB-CB 4.16Å; C301-G306 WeakPolarHBondContact SG-CA 3.35Å; C301-G306 PolarHBondContact SG-N 2.8Å; C301-G306 VanDerWaalsContact SG-N 3.45Å; C301-I309 HydrophobicContact CB-CD1 4.47Å
302M98.7Very high97.9Very high1 Ų133.5 Ų33.51%0.00517%0.172CC..  trans-65.5162.1173.8-62.3-1727200112.2D158 C201 E238 F241 L304 N305 G306D158-M302 HydrophobicContact CB-CE 4.07Å; D158-M302 WeakPolarHBondContact OD2-CB 3.5Å; C201-M302 HydrophobicContact CB-CE 3.69Å; E238-M302 HydrophobicContact CB-SD 4.21Å; E238-M302 VanDerWaalsContact CD-SD 3.5Å; E238-M302 HydrophobicContact CG-SD 3.58Å; E238-M302 VanDerWaalsContact CG-SD 3.58Å; F241-M302 HydrophobicContact CB-CG 4.1Å; F241-M302 HydrophobicContact CB-SD 4.25Å; F241-M302 HydrophobicContact CD1-CG 4.44Å; F241-M302 HydrophobicContact CD2-CG 3.75Å; F241-M302 HydrophobicContact CE2-CG 4.32Å; F241-M302 HydrophobicContact CG-CG 3.83Å; M302-L304 PolarHBondContact O-N 3.02Å; M302-N305 PolarHBondContact O-N 2.97Å; M302-G306 PolarHBondContact O-N 2.85Å
303N97.2Very high97.9Very high3 Ų327.1 Ų27.12%0.01615%0.148CC..Hα-helixtrans-49.5-52.8-172.8-152-32.3000114.1R153 E154 E157 D158 Y160 G306 D307R153-N303 PolarHBondContact NE-O 3.05Å; R153-N303 PolarHBondContact NE-OD1 2.81Å; R153-N303 PolarHBondContact NH2-O 3.33Å; R153-N303 PolarHBondContact NH2-OD1 3.48Å; E154-N303 WeakPolarHBondContact O-CA 3.44Å; E154-N303 WeakPolarHBondContact O-CB 2.79Å; E154-N303 PolarHBondContact O-ND2 3.42Å; E154-N303 PolarHBondContact O-OD1 3.36Å; E157-N303 PolarHBondContact O-ND2 3.35Å; D158-N303 HydrophobicContact CB-CB 3.45Å; D158-N303 VanDerWaalsContact CB-CB 3.45Å; D158-N303 PolarHBondContact OD2-N 2.84Å; Y160-N303 VanDerWaalsContact CB-ND2 3.28Å; Y160-N303 WeakPolarHBondContact CB-ND2 3.43Å; Y160-N303 HydrophobicContact CD2-CB 4.15Å; Y160-N303 HydrophobicContact CG-CB 4.28Å; N303-G306 PolarHBondContact O-N 2.9Å; N303-D307 PolarHBondContact O-N 3.2Å; N303-D307 VanDerWaalsContact O-N 3.16Å
304L97.6Very high97.8Very high44 Ų4427 Ų2723%0.2315%0.147CC..Hα-helixtrans-67.9-41.6-177.7179.766.1000112.5D158 I159 Y160 M302 G306 D307 Y308D158-L304 PolarHBondContact OD2-N 3.01Å; I159-L304 HydrophobicContact CG2-CB 4.15Å; I159-L304 HydrophobicContact CG2-CD2 4.13Å; Y160-L304 HydrophobicContact CD2-CB 4.32Å; Y160-L304 HydrophobicContact CE2-CB 4.09Å; Y160-L304 HydrophobicContact CE2-CD1 3.74Å; M302-L304 PolarHBondContact O-N 3.02Å; L304-G306 VanDerWaalsContact C-N 3.32Å; L304-G306 PolarHBondContact O-N 3.28Å; L304-D307 WeakPolarHBondContact O-CB 3.47Å; L304-D307 PolarHBondContact O-N 3.09Å; L304-Y308 HydrophobicContact CD1-CD1 4.48Å; L304-Y308 HydrophobicContact CD1-CE1 3.83Å; L304-Y308 HydrophobicContact CD1-CE2 4.24Å; L304-Y308 HydrophobicContact CG-CE2 4.39Å; L304-Y308 PolarHBondContact O-N 2.95Å
305N98.5Very high97.7Very high18 Ų1825.1 Ų25.110%0.09613%0.132CC..Hα-helixtrans-64-42.3178.4-68.4-28.9000110.5E238 C301 M302 D307 Y308 I309E238-N305 PolarHBondContact OE1-ND2 3.3Å; E238-N305 PolarHBondContact OE2-ND2 2.88Å; C301-N305 HydrophobicContact CB-CB 4.16Å; M302-N305 PolarHBondContact O-N 2.97Å; N305-D307 VanDerWaalsContact C-N 3.28Å; N305-D307 PolarHBondContact O-N 3.22Å; N305-Y308 PolarHBondContact O-N 2.74Å; N305-I309 HydrophobicContact CB-CD1 4.15Å; N305-I309 VanDerWaalsContact O-CB 3.27Å; N305-I309 WeakPolarHBondContact O-CB 3.44Å; N305-I309 WeakPolarHBondContact O-CD1 3.07Å; N305-I309 WeakPolarHBondContact O-CG1 3.45Å; N305-I309 PolarHBondContact O-N 3.12Å
306G97.9Very high97.7Very high0 Ų021.2 Ų21.20%011%0.114CC..Hα-helixtrans-62.2-35.6179.100000113.1C301 M302 N303 L304 S310C301-G306 WeakPolarHBondContact SG-CA 3.35Å; C301-G306 PolarHBondContact SG-N 2.8Å; C301-G306 VanDerWaalsContact SG-N 3.45Å; M302-G306 PolarHBondContact O-N 2.85Å; N303-G306 PolarHBondContact O-N 2.9Å; L304-G306 VanDerWaalsContact C-N 3.32Å; L304-G306 PolarHBondContact O-N 3.28Å; G306-S310 VanDerWaalsContact O-CB 3.23Å; G306-S310 WeakPolarHBondContact O-CB 3.39Å; G306-S310 PolarHBondContact O-N 3.02Å; G306-S310 PolarHBondContact O-OG 2.74Å
307D95.1Very high97.6Very high34 Ų3420.7 Ų20.718%0.18211%0.112CC..Hα-helixtrans-56.9-58.8171.7-161.755.9000111.2R153 Y160 N303 L304 N305 I309 S310 D311R153-D307 IonicContact CZ-OD1 3.93Å; R153-D307 VanDerWaalsContact NH1-CA 3.34Å; R153-D307 VanDerWaalsContact NH1-CB 3.35Å; R153-D307 IonicContact NH1-OD1 2.7Å; R153-D307 PolarHBondContact NH1-OD1 2.79Å; R153-D307 IonicContact NH2-OD1 3.31Å; Y160-D307 PolarHBondContact OH-OD2 3.44Å; N303-D307 PolarHBondContact O-N 3.2Å; N303-D307 VanDerWaalsContact O-N 3.16Å; L304-D307 WeakPolarHBondContact O-CB 3.47Å; L304-D307 PolarHBondContact O-N 3.09Å; N305-D307 VanDerWaalsContact C-N 3.28Å; N305-D307 PolarHBondContact O-N 3.22Å; D307-I309 PolarHBondContact O-N 3.26Å; D307-S310 PolarHBondContact O-N 3.31Å; D307-S310 PolarHBondContact O-OG 2.61Å; D307-D311 PolarHBondContact O-N 2.89Å; D307-D311 VanDerWaalsContact O-N 3.14Å
308Y97.2Very high97.4Very high137 Ų13720.8 Ų20.854%0.53712%0.116SC..Hα-helixtrans-64.6-40.7-176.5-67-2.2000112.5L304 N305 A312L304-Y308 HydrophobicContact CD1-CD1 4.48Å; L304-Y308 HydrophobicContact CD1-CE1 3.83Å; L304-Y308 HydrophobicContact CD1-CE2 4.24Å; L304-Y308 HydrophobicContact CG-CE2 4.39Å; L304-Y308 PolarHBondContact O-N 2.95Å; N305-Y308 PolarHBondContact O-N 2.74Å; Y308-A312 WeakPolarHBondContact O-CB 3.09Å; Y308-A312 PolarHBondContact O-N 2.85Å
309I98.3Very high97Very high3 Ų320.9 Ų20.92%0.01512%0.117CC..Hα-helixtrans-65.3-48.9-179.5-72.8165.1000110.7I151 V228 F285 L286 C301 N305 D307 D311 A312 L313I151-I309 HydrophobicContact CD1-CG2 3.98Å; I151-I309 HydrophobicContact CG1-CG2 4.41Å; V228-I309 HydrophobicContact CB-CD1 4.05Å; V228-I309 HydrophobicContact CG1-CD1 3.61Å; F285-I309 HydrophobicContact CD1-CD1 3.84Å; F285-I309 HydrophobicContact CD1-CG1 3.97Å; F285-I309 HydrophobicContact CE1-CD1 3.92Å; F285-I309 HydrophobicContact CE1-CG1 4Å; F285-I309 HydrophobicContact CE1-CG2 3.72Å; L286-I309 HydrophobicContact CD2-CG1 4.2Å; C301-I309 HydrophobicContact CB-CD1 4.47Å; N305-I309 HydrophobicContact CB-CD1 4.15Å; N305-I309 VanDerWaalsContact O-CB 3.27Å; N305-I309 WeakPolarHBondContact O-CB 3.44Å; N305-I309 WeakPolarHBondContact O-CD1 3.07Å; N305-I309 WeakPolarHBondContact O-CG1 3.45Å; N305-I309 PolarHBondContact O-N 3.12Å; D307-I309 PolarHBondContact O-N 3.26Å; I309-D311 PolarHBondContact O-N 2.89Å; I309-A312 PolarHBondContact O-N 3.36Å; I309-L313 HydrophobicContact CG2-CD1 3.71Å; I309-L313 HydrophobicContact CG2-CG 4.38Å; I309-L313 WeakPolarHBondContact O-CB 3.21Å; I309-L313 WeakPolarHBondContact O-CG 3.28Å; I309-L313 PolarHBondContact O-N 3.4Å
310S95.7Very high96.6Very high2 Ų226.4 Ų26.41%0.01415%0.145CC..Hα-helixtrans-67.5-38.1-175.760.20000112.1R129 G306 D307 A314R129-S310 VanDerWaalsContact CD-OG 3.27Å; R129-S310 WeakPolarHBondContact CD-OG 3.38Å; R129-S310 PolarHBondContact NH1-OG 3.45Å; G306-S310 VanDerWaalsContact O-CB 3.23Å; G306-S310 WeakPolarHBondContact O-CB 3.39Å; G306-S310 PolarHBondContact O-N 3.02Å; G306-S310 PolarHBondContact O-OG 2.74Å; D307-S310 PolarHBondContact O-N 3.31Å; D307-S310 PolarHBondContact O-OG 2.61Å; S310-A314 WeakPolarHBondContact O-CB 3.29Å; S310-A314 PolarHBondContact O-N 3.16Å
311D94.5Very high96.1Very high90 Ų9027.4 Ų27.448%0.48116%0.155SC..Hα-helixtrans-66.9-41174.1-7920.2000111.8R129 D307 I309 A314 A315R129-D311 IonicContact NH1-OD1 2.71Å; R129-D311 PolarHBondContact NH1-OD1 3Å; D307-D311 PolarHBondContact O-N 2.89Å; D307-D311 VanDerWaalsContact O-N 3.14Å; I309-D311 PolarHBondContact O-N 2.89Å; D311-A314 PolarHBondContact O-N 2.92Å; D311-A315 PolarHBondContact O-N 3.19Å
312A97.8Very high96Very high36 Ų3627.7 Ų27.730%0.29816%0.157SC..Hα-helixtrans-64.6-43.1176.900000112.4L286 I289 Y308 I309 A315 Q316L286-A312 HydrophobicContact CD2-CB 4.25Å; I289-A312 HydrophobicContact CD1-CB 4.24Å; Y308-A312 WeakPolarHBondContact O-CB 3.09Å; Y308-A312 PolarHBondContact O-N 2.85Å; I309-A312 PolarHBondContact O-N 3.36Å; A312-A315 WeakPolarHBondContact O-CB 3.32Å; A312-A315 PolarHBondContact O-N 3.21Å; A312-Q316 PolarHBondContact O-N 3.27Å; A312-Q316 VanDerWaalsContact O-N 3.09Å
313L98.4Very high95.8Very high0 Ų028.5 Ų28.50%016%0.164CC..Hα-helixtrans-66.6-41.4176.1-74.9171.2000111.6V131 T147 M149 I151 I289 I309 A315 Q316 V317V131-L313 HydrophobicContact CB-CB 4.19Å; V131-L313 HydrophobicContact CG1-CB 3.85Å; V131-L313 HydrophobicContact CG2-CB 4.08Å; T147-L313 HydrophobicContact CG2-CD2 4.06Å; M149-L313 HydrophobicContact CB-CD1 4.38Å; M149-L313 HydrophobicContact CE-CD2 4.21Å; M149-L313 HydrophobicContact SD-CD1 3.86Å; M149-L313 HydrophobicContact SD-CD2 3.71Å; M149-L313 HydrophobicContact SD-CG 4.47Å; I151-L313 HydrophobicContact CD1-CD1 3.51Å; I151-L313 HydrophobicContact CG1-CD1 4.03Å; I289-L313 HydrophobicContact CB-CD2 3.78Å; I289-L313 HydrophobicContact CD1-CD2 3.87Å; I289-L313 HydrophobicContact CD1-CG 4.01Å; I289-L313 HydrophobicContact CG1-CD2 4.35Å; I289-L313 HydrophobicContact CG2-CD2 3.97Å; I309-L313 HydrophobicContact CG2-CD1 3.71Å; I309-L313 HydrophobicContact CG2-CG 4.38Å; I309-L313 WeakPolarHBondContact O-CB 3.21Å; I309-L313 WeakPolarHBondContact O-CG 3.28Å; I309-L313 PolarHBondContact O-N 3.4Å; L313-A315 VanDerWaalsContact C-N 3.26Å; L313-A315 PolarHBondContact O-N 2.95Å; L313-Q316 HydrophobicContact CD2-CG 4.45Å; L313-Q316 VanDerWaalsContact O-CG 3.31Å; L313-Q316 WeakPolarHBondContact O-CG 3.04Å; L313-Q316 PolarHBondContact O-N 2.96Å; L313-V317 PolarHBondContact O-N 3.41Å
314A97Very high95.9Very high7 Ų729.1 Ų29.16%0.05817%0.168CC..Hα-helixtrans-58.7-41.2174.100000111S310 D311 G318 G319 A323S310-A314 WeakPolarHBondContact O-CB 3.29Å; S310-A314 PolarHBondContact O-N 3.16Å; D311-A314 PolarHBondContact O-N 2.92Å; A314-G318 PolarHBondContact O-N 3.19Å; A314-G319 CarbonylContact O-C 3.58Å; A314-G319 WeakPolarHBondContact O-CA 3.37Å; A314-G319 PolarHBondContact O-N 3.3Å; A314-A323 HydrophobicContact CB-CB 3.92Å
315A97Very high95.9Very high35 Ų3527 Ų2729%0.28916%0.157SC..Hα-helixtrans-62.7-44176.100000113.1P140 D311 A312 L313 V317 G318 I320P140-A315 WeakPolarHBondContact CD-O 3.23Å; P140-A315 WeakPolarHBondContact CG-O 3.28Å; D311-A315 PolarHBondContact O-N 3.19Å; A312-A315 WeakPolarHBondContact O-CB 3.32Å; A312-A315 PolarHBondContact O-N 3.21Å; L313-A315 VanDerWaalsContact C-N 3.26Å; L313-A315 PolarHBondContact O-N 2.95Å; A315-V317 PolarHBondContact O-N 2.69Å; A315-G318 PolarHBondContact O-N 2.99Å; A315-G318 VanDerWaalsContact O-N 3.16Å; A315-I320 HydrophobicContact CB-CD1 3.96Å; A315-I320 HydrophobicContact CB-CG1 4.12Å
316Q97Very high95.9Very high7 Ų726.2 Ų26.23%0.03315%0.153CC..Hα-helixtrans-68-34.1-177.281.2-176.537.600112.8S139 V141 T147 I289 L290 A312 L313 G318S139-Q316 PolarHBondContact OG-O 2.8Å; V141-Q316 HydrophobicContact CG1-CB 4.02Å; V141-Q316 HydrophobicContact CG2-CB 4.4Å; V141-Q316 WeakPolarHBondContact CG2-O 3.41Å; T147-Q316 PolarHBondContact OG1-NE2 3.17Å; I289-Q316 PolarHBondContact O-NE2 3.35Å; I289-Q316 PolarHBondContact O-OE1 3.38Å; L290-Q316 HydrophobicContact CD2-CB 4.21Å; A312-Q316 PolarHBondContact O-N 3.27Å; A312-Q316 VanDerWaalsContact O-N 3.09Å; L313-Q316 HydrophobicContact CD2-CG 4.45Å; L313-Q316 VanDerWaalsContact O-CG 3.31Å; L313-Q316 WeakPolarHBondContact O-CG 3.04Å; L313-Q316 PolarHBondContact O-N 2.96Å; Q316-G318 PolarHBondContact O-N 2.97Å
317V97Very high95.9Very high5 Ų526.2 Ų26.23%0.0315%0.153CC..THydrogen-bonded Turntrans-823176.8-56.30000113.3V131 Y133 T147 L313 A315 G319V131-V317 HydrophobicContact CG1-CB 4.5Å; V131-V317 HydrophobicContact CG1-CG1 3.98Å; V131-V317 HydrophobicContact CG1-CG2 3.68Å; Y133-V317 HydrophobicContact CD2-CB 4.43Å; T147-V317 HydrophobicContact CG2-CG1 3.65Å; L313-V317 PolarHBondContact O-N 3.41Å; A315-V317 PolarHBondContact O-N 2.69Å; V317-G319 PolarHBondContact O-N 3.14Å
318G94.8Very high96.1Very high14 Ų1425.8 Ų25.814%0.14415%0.15CC..THydrogen-bonded Turntrans72.615-173.500000113.5T137 P138 A314 A315 Q316 F393T137-G318 WeakPolarHBondContact CG2-O 3.44Å; P138-G318 VanDerWaalsContact O-CA 3.25Å; P138-G318 WeakPolarHBondContact O-CA 3.26Å; A314-G318 PolarHBondContact O-N 3.19Å; A315-G318 PolarHBondContact O-N 2.99Å; A315-G318 VanDerWaalsContact O-N 3.16Å; Q316-G318 PolarHBondContact O-N 2.97Å; G318-F393 WeakPolarHBondContact O-CE1 3.28Å
319G91.8Very high96.1Very high3 Ų319.7 Ų19.73%0.03113%0.129CC..  trans-96.112.8-166.500000116A314 V317 G321 I322 A323A314-G319 CarbonylContact O-C 3.58Å; A314-G319 WeakPolarHBondContact O-CA 3.37Å; A314-G319 PolarHBondContact O-N 3.3Å; V317-G319 PolarHBondContact O-N 3.14Å; G319-G321 PolarHBondContact O-N 3.49Å; G319-G321 VanDerWaalsContact O-N 3.11Å; G319-I322 CarbonylContact O-C 3.57Å; G319-I322 PolarHBondContact O-N 3.11Å; G319-A323 WeakPolarHBondContact O-CB 3.4Å; G319-A323 PolarHBondContact O-N 3.28Å
320I88.9Confident96Very high116 Ų11624.7 Ų24.760%0.59516%0.156SC*.THydrogen-bonded Turntrans-53.7-37.2-176.9-61177000112A315A315-I320 HydrophobicContact CB-CD1 3.96Å; A315-I320 HydrophobicContact CB-CG1 4.12Å
321G88.8Confident96Very high20 Ų2029.2 Ų29.221%0.20618%0.177CC..THydrogen-bonded Turntrans-85-11.5177.600000115G319 S355G319-G321 PolarHBondContact O-N 3.49Å; G319-G321 VanDerWaalsContact O-N 3.11Å; G321-S355 PolarHBondContact O-N 2.8Å
322I96.1Very high96.2Very high7 Ų725.3 Ų25.34%0.03616%0.156CC..THydrogen-bonded Turntrans-125.74.5-172.567.2162.7000114.2Y134 G319 P324 N352 L358 I384 F393Y134-I322 HydrophobicContact CD2-CD1 3.96Å; G319-I322 CarbonylContact O-C 3.57Å; G319-I322 PolarHBondContact O-N 3.11Å; I322-P324 VanDerWaalsContact O-CD 3.31Å; I322-P324 WeakPolarHBondContact O-CD 3.36Å; I322-N352 WeakPolarHBondContact CG2-ND2 3.47Å; I322-L358 HydrophobicContact CB-CD1 4.33Å; I322-L358 WeakPolarHBondContact O-CD1 3.48Å; I322-I384 HydrophobicContact CD1-CD1 4.41Å; I322-F393 HydrophobicContact CD1-CZ 4.02Å; I322-F393 HydrophobicContact CG1-CZ 4.19Å; I322-F393 HydrophobicContact CG2-CE2 4.18Å; I322-F393 HydrophobicContact CG2-CZ 3.78Å
323A96.2Very high96.2Very high18 Ų1823.6 Ų23.615%0.14914%0.142CC..  trans-63.7120.9179.700000110.8A314 G319 T338 S355A314-A323 HydrophobicContact CB-CB 3.92Å; G319-A323 WeakPolarHBondContact O-CB 3.4Å; G319-A323 PolarHBondContact O-N 3.28Å; A323-T338 WeakPolarHBondContact O-CG2 3.39Å; A323-T338 PolarHBondContact O-OG1 3.4Å; A323-S355 WeakPolarHBondContact O-CB 3.26Å; A323-S355 PolarHBondContact O-OG 3.07Å
324P97.9Very high96.3Very high15 Ų1523.7 Ų23.710%0.09714%0.143CC..  trans-83.7162.5176.636-37.2000112P130 I322 L358 S359 M362P130-P324 HydrophobicContact CG-CG 3.86Å; I322-P324 VanDerWaalsContact O-CD 3.31Å; I322-P324 WeakPolarHBondContact O-CD 3.36Å; P324-L358 VanDerWaalsContact CB-C 3.49Å; P324-L358 HydrophobicContact CB-CB 3.69Å; P324-L358 HydrophobicContact CG-CB 4.11Å; P324-S359 VanDerWaalsContact CA-OG 3.29Å; P324-S359 WeakPolarHBondContact CA-OG 3.49Å; P324-M362 HydrophobicContact CB-CG 4.4Å; P324-M362 HydrophobicContact CB-SD 3.69Å; P324-M362 HydrophobicContact CG-SD 4.04Å
325G97.5Very high96.3Very high1 Ų123.4 Ų23.41%0.0114%0.14CC..  trans-154.6146.8176.900000113.8E336 S359G325-E336 PolarHBondContact O-N 2.92Å; G325-S359 PolarHBondContact N-OG 2.86Å
326A98.5Very high96.4Very high0 Ų021.9 Ų21.90%013%0.127CC..EExtended strand (participates in β ladder)trans-133.3149.5169.900000111.1C127 L128 I328 F335 M362C127-A326 CarbonylContact C-O 3.09Å; C127-A326 WeakPolarHBondContact CA-O 3.34Å; L128-A326 HydrophobicContact CB-CB 4.38Å; L128-A326 PolarHBondContact N-O 3.23Å; L128-A326 PolarHBondContact O-N 3.29Å; A326-I328 HydrophobicContact CB-CD1 4.15Å; A326-I328 HydrophobicContact CB-CG1 4.08Å; A326-F335 HydrophobicContact CB-CD1 3.49Å; A326-F335 VanDerWaalsContact CB-CD1 3.49Å; A326-F335 HydrophobicContact CB-CE1 3.5Å; A326-F335 HydrophobicContact CB-CG 4.3Å; A326-F335 HydrophobicContact CB-CZ 4.31Å; A326-M362 HydrophobicContact CB-CE 3.69Å
327N98.6Very high96.4Very high1 Ų121.7 Ų21.71%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-117.9116169.1-54.3-88.4000107R119 L124 I126 N155 A333 L334 E336R119-N327 WeakPolarHBondContact CD-OD1 3.47Å; R119-N327 HydrophobicContact CG-CB 4.18Å; R119-N327 WeakPolarHBondContact CG-OD1 3.31Å; R119-N327 PolarHBondContact NE-OD1 3.43Å; L124-N327 HydrophobicContact CB-CB 3.75Å; L124-N327 HydrophobicContact CD1-CB 3.72Å; L124-N327 HydrophobicContact CG-CB 4.35Å; I126-N327 CarbonylContact O-C 3.48Å; I126-N327 WeakPolarHBondContact O-CA 3.35Å; N155-N327 PolarHBondContact ND2-OD1 2.74Å; N327-A333 CarbonylContact O-C 3.59Å; N327-A333 WeakPolarHBondContact O-CA 3.32Å; N327-L334 PolarHBondContact N-O 2.98Å; N327-L334 PolarHBondContact ND2-O 3.36Å; N327-L334 PolarHBondContact O-N 3.33Å; N327-E336 VanDerWaalsContact ND2-CD 3.31Å; N327-E336 PolarHBondContact ND2-OE1 2.93Å
328I98.5Very high96.4Very high24 Ų2423.1 Ų23.112%0.12314%0.135CC..EExtended strand (participates in β ladder)trans-123.4132.5-169-55.4167.7000108.4L124 Y125 I126 L128 A326 A333L124-I328 CarbonylContact C-O 3.37Å; L124-I328 VanDerWaalsContact C-O 3.3Å; Y125-I328 PolarHBondContact N-O 3.35Å; I126-I328 HydrophobicContact CB-CB 4.23Å; I126-I328 WeakPolarHBondContact CB-O 3.45Å; I126-I328 HydrophobicContact CD1-CB 4.49Å; I126-I328 PolarHBondContact N-O 3.24Å; I126-I328 PolarHBondContact O-N 3.44Å; L128-I328 HydrophobicContact CB-CD1 4.26Å; L128-I328 HydrophobicContact CD2-CD1 3.99Å; A326-I328 HydrophobicContact CB-CD1 4.15Å; A326-I328 HydrophobicContact CB-CG1 4.08Å; I328-A333 HydrophobicContact CG1-CB 4.09Å; I328-A333 HydrophobicContact CG2-CB 4.37Å
329G97.6Very high96.2Very high10 Ų1024.2 Ų24.210%0.10314%0.137CC..  trans-124.6-171.1167.800000110.5C332G329-C332 PolarHBondContact N-O 3.16Å
330D95.9Very high96.3Very high107 Ų10726.6 Ų26.657%0.57216%0.161SC*.SBendtrans-71.6-34.1-177.6-66-43.6000112.7L16 Y125L16-D330 WeakPolarHBondContact CD2-O 3.25Å; Y125-D330 PolarHBondContact OH-OD1 3.36Å
331E96.9Very high96.6Very high98 Ų9822 Ų2246%0.45814%0.139SC..SBendtrans-99-24.2-172.6-68.2-65141.400113.9R96R96-E331 WeakPolarHBondContact CD-O 3.39Å; R96-E331 IonicContact CZ-OE2 2.56Å; R96-E331 PolarHBondContact NH1-O 3.19Å; R96-E331 IonicContact NH1-OE2 2.75Å; R96-E331 PolarHBondContact NH1-OE2 3.43Å; R96-E331 IonicContact NH2-OE2 3.7Å
332C98.3Very high96.9Very high7 Ų722.8 Ų22.85%0.04714%0.143CC..  trans-157.8165.5-178.160.30000113.4I92 R96 L124 G329I92-C332 HydrophobicContact CG2-CB 4.37Å; R96-C332 CarbonylContact O-C 3.58Å; R96-C332 WeakPolarHBondContact O-CA 3.48Å; R96-C332 VanDerWaalsContact O-CB 3.29Å; R96-C332 WeakPolarHBondContact O-CB 3.48Å; L124-C332 WeakPolarHBondContact CD2-O 3.31Å; G329-C332 PolarHBondContact N-O 3.16Å
333A98.7Very high96.8Very high0 Ų027.1 Ų27.10%017%0.172CC..EExtended strand (participates in β ladder)trans-133.2135176.200000110.8R96 V97 A98 N327 I328 F335R96-A333 PolarHBondContact O-N 3.06Å; V97-A333 WeakPolarHBondContact CA-O 3.37Å; A98-A333 PolarHBondContact N-O 3Å; N327-A333 CarbonylContact O-C 3.59Å; N327-A333 WeakPolarHBondContact O-CA 3.32Å; I328-A333 HydrophobicContact CG1-CB 4.09Å; I328-A333 HydrophobicContact CG2-CB 4.37Å; A333-F335 HydrophobicContact CB-CE2 3.82Å; A333-F335 HydrophobicContact CB-CZ 4.22Å
334L98.8Very high96.9Very high2 Ų233.1 Ų33.11%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-122109.2177.3179.463.2000110.5I92 A98 K100 L118 L124 N327I92-L334 HydrophobicContact CD1-CD1 4.37Å; A98-L334 HydrophobicContact CB-CD1 3.89Å; A98-L334 WeakPolarHBondContact O-CA 3.37Å; K100-L334 HydrophobicContact CB-CD1 4.31Å; K100-L334 HydrophobicContact CD-CD2 4.16Å; K100-L334 HydrophobicContact CG-CD1 4.16Å; K100-L334 HydrophobicContact CG-CD2 4.5Å; K100-L334 HydrophobicContact CG-CG 4.35Å; L118-L334 HydrophobicContact CB-CD2 4.25Å; L118-L334 HydrophobicContact CD1-CD2 4.16Å; L124-L334 HydrophobicContact CD1-CB 3.68Å; L124-L334 HydrophobicContact CD1-CD2 4.3Å; N327-L334 PolarHBondContact N-O 2.98Å; N327-L334 PolarHBondContact ND2-O 3.36Å; N327-L334 PolarHBondContact O-N 3.33Å
335F98.8Very high96.9Very high2 Ų234.6 Ų34.61%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-82.2145.1175.4-61.2-90.5000109.9V97 A98 I99 K100 A326 A333 S359 M362 M363 H366V97-F335 HydrophobicContact CG1-CD2 4.23Å; V97-F335 HydrophobicContact CG1-CE2 3.91Å; A98-F335 WeakPolarHBondContact O-CD2 3.42Å; A98-F335 PolarHBondContact O-N 2.97Å; I99-F335 CarbonylContact C-O 3.47Å; I99-F335 VanDerWaalsContact CA-O 3.3Å; I99-F335 WeakPolarHBondContact CA-O 3.46Å; I99-F335 HydrophobicContact CB-CB 4.24Å; I99-F335 HydrophobicContact CD1-CB 4.16Å; I99-F335 HydrophobicContact CG1-CB 3.93Å; K100-F335 PolarHBondContact N-O 3.12Å; A326-F335 HydrophobicContact CB-CD1 3.49Å; A326-F335 VanDerWaalsContact CB-CD1 3.49Å; A326-F335 HydrophobicContact CB-CE1 3.5Å; A326-F335 HydrophobicContact CB-CG 4.3Å; A326-F335 HydrophobicContact CB-CZ 4.31Å; A333-F335 HydrophobicContact CB-CE2 3.82Å; A333-F335 HydrophobicContact CB-CZ 4.22Å; F335-S359 VanDerWaalsContact CD1-O 3.27Å; F335-S359 WeakPolarHBondContact CD1-O 3.47Å; F335-M362 HydrophobicContact CD1-CB 3.73Å; F335-M362 HydrophobicContact CE1-CB 3.61Å; F335-M363 HydrophobicContact CB-CB 4.35Å; F335-M363 HydrophobicContact CD1-CB 3.95Å; F335-M363 HydrophobicContact CD2-CB 3.57Å; F335-M363 HydrophobicContact CD2-CG 3.55Å; F335-M363 HydrophobicContact CD2-SD 4.43Å; F335-M363 HydrophobicContact CE1-CB 4.2Å; F335-M363 VanDerWaalsContact CE1-N 3.33Å; F335-M363 HydrophobicContact CE2-CB 3.86Å; F335-M363 HydrophobicContact CE2-CG 3.78Å; F335-M363 HydrophobicContact CG-CB 3.65Å; F335-M363 HydrophobicContact CG-CG 4.14Å; F335-M363 HydrophobicContact CZ-CB 4.18Å; F335-M363 HydrophobicContact CZ-CG 4.5Å; F335-H366 HydrophobicContact CE1-CB 4.36Å; F335-H366 HydrophobicContact CE2-CB 4.4Å; F335-H366 HydrophobicContact CZ-CB 3.58Å; F335-H366 AromaticContact CZ-CG 3.83Å
336E98.6Very high96.9Very high3 Ų336.4 Ų36.41%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-145.1143.4-174.769.3176.7149.200115.2K100 N115 R119 G325 N327 T338 S359K100-E336 HydrophobicContact CD-CB 4.25Å; K100-E336 WeakPolarHBondContact CE-OE2 3.23Å; K100-E336 HydrophobicContact CG-CB 3.63Å; K100-E336 IonicContact NZ-OE2 3.55Å; K100-E336 PolarHBondContact NZ-OE2 2.76Å; K100-E336 WeakPolarHBondContact O-CA 3.47Å; N115-E336 PolarHBondContact ND2-OE2 3Å; N115-E336 VanDerWaalsContact ND2-OE2 3.14Å; R119-E336 IonicContact CZ-OE1 3.58Å; R119-E336 IonicContact NE-OE1 2.97Å; R119-E336 IonicContact NH2-OE1 2.74Å; R119-E336 PolarHBondContact NH2-OE1 2.9Å; R119-E336 IonicContact NH2-OE2 3.55Å; G325-E336 PolarHBondContact O-N 2.92Å; N327-E336 VanDerWaalsContact ND2-CD 3.31Å; N327-E336 PolarHBondContact ND2-OE1 2.93Å; E336-T338 PolarHBondContact O-N 3.49Å; E336-S359 PolarHBondContact O-OG 3.32Å
337A97.5Very high96.9Very high2 Ų239.2 Ų39.22%0.01724%0.242CC..  trans-56.5131.1154.800000109.7K100 I356K100-A337 PolarHBondContact O-N 3.47Å; A337-I356 HydrophobicContact CB-CB 4.08Å; A337-I356 HydrophobicContact CB-CD1 4.42Å
338T95.3Very high96.9Very high35 Ų3543.9 Ų43.922%0.21526%0.264CS..  trans-94.3-15.5-175.962.90000113.3A323 E336 S355A323-T338 WeakPolarHBondContact O-CG2 3.39Å; A323-T338 PolarHBondContact O-OG1 3.4Å; E336-T338 PolarHBondContact O-N 3.49Å; T338-S355 PolarHBondContact N-OG 3.04Å; T338-S355 PolarHBondContact OG1-OG 2.95Å
339H91.9Very high96.9Very high38 Ų3844.8 Ų44.818%0.17627%0.268CS..SBendtrans-78.3164.1176.25864.3000112.2I37 P102I37-H339 VanDerWaalsContact CD1-CE1 3.46Å; I37-H339 WeakPolarHBondContact CD1-CE1 3.25Å; P102-H339 WeakPolarHBondContact CB-O 3.28Å
340G92.6Very high96.9Very high52 Ų5247.8 Ų47.854%0.53628%0.279SS..  trans-72.3-177.7172.500000113.7
341T95.5Very high97Very high21 Ų2143.1 Ų43.113%0.12925%0.254CS..  trans-81.6-13.1-175.756.70000114.5D35 G36 I37 P102 L103 T104 P343D35-T341 HydrophobicContact CB-CG2 3.87Å; G36-T341 WeakPolarHBondContact CA-O 3.31Å; I37-T341 WeakPolarHBondContact CG1-O 3.49Å; I37-T341 WeakPolarHBondContact CG2-O 3.36Å; I37-T341 PolarHBondContact N-O 2.97Å; P102-T341 HydrophobicContact CB-CG2 3.88Å; P102-T341 HydrophobicContact CG-CG2 4.26Å; L103-T341 VanDerWaalsContact C-CG2 3.48Å; T104-T341 WeakPolarHBondContact OG1-CG2 3.26Å; T341-P343 VanDerWaalsContact O-N 3.12Å
342A95Very high97.1Very high36 Ų3638.9 Ų38.930%0.29823%0.234SC..  trans35.856.817700000114.7I37 K344 Y345I37-A342 HydrophobicContact CD1-CB 4.08Å; I37-A342 HydrophobicContact CG1-CB 4.46Å; I37-A342 HydrophobicContact CG2-CB 3.96Å; I37-A342 WeakPolarHBondContact CG2-O 3.4Å; A342-K344 PolarHBondContact O-N 3.44Å; A342-Y345 HydrophobicContact CB-CD2 4.23Å; A342-Y345 PolarHBondContact O-N 2.77Å
343P95.2Very high97.1Very high98 Ų9838.5 Ų38.564%0.63623%0.232SC*.G310 helixtrans-57.6-27.2-165.521.2-34000114.2T341 Y345 A346T341-P343 VanDerWaalsContact O-N 3.12Å; P343-Y345 PolarHBondContact O-N 2.89Å; P343-Y345 VanDerWaalsContact O-N 3.12Å; P343-A346 WeakPolarHBondContact O-CB 3.35Å; P343-A346 PolarHBondContact O-N 3.35Å
344K97.2Very high97.1Very high143 Ų14338.5 Ų38.562%0.62223%0.232SC*.G310 helixtrans-61.3-14.9174.264.5174.2169.5168.30115.1A342 Q348A342-K344 PolarHBondContact O-N 3.44Å; K344-Q348 PolarHBondContact O-NE2 2.94Å
345Y97.4Very high97.1Very high47 Ų4738.4 Ų38.418%0.18423%0.232CC..G310 helixtrans-115.40.2178.8-58.7-49.4000113.4A342 P343 G347 Q348 K350 V351 Y391A342-Y345 HydrophobicContact CB-CD2 4.23Å; A342-Y345 PolarHBondContact O-N 2.77Å; P343-Y345 PolarHBondContact O-N 2.89Å; P343-Y345 VanDerWaalsContact O-N 3.12Å; Y345-G347 PolarHBondContact O-N 2.95Å; Y345-Q348 WeakPolarHBondContact O-CB 3.09Å; Y345-Q348 PolarHBondContact O-N 3.01Å; Y345-K350 HydrophobicContact CD1-CD 4.15Å; Y345-K350 HydrophobicContact CE1-CD 4.46Å; Y345-V351 HydrophobicContact CD2-CG1 4.14Å; Y345-V351 HydrophobicContact CG-CG1 4.28Å; Y345-Y391 WeakPolarHBondContact CE2-OH 3.19Å
346A98Very high97.1Very high39 Ų3938.3 Ų38.332%0.32223%0.231SC..THydrogen-bonded Turntrans-59.7130.3-177.500000111.5G36 P343 Q348G36-A346 VanDerWaalsContact C-CB 3.47Å; G36-A346 WeakPolarHBondContact O-CB 3.27Å; P343-A346 WeakPolarHBondContact O-CB 3.35Å; P343-A346 PolarHBondContact O-N 3.35Å; A346-Q348 VanDerWaalsContact C-N 3.25Å; A346-Q348 PolarHBondContact O-N 3.02Å
347G98.2Very high97.1Very high58 Ų5838.2 Ų38.260%0.59823%0.231SC*.THydrogen-bonded Turntrans72.512.2178.300000114.6D40 Y345D40-G347 VanDerWaalsContact OD1-C 3.32Å; D40-G347 VanDerWaalsContact OD1-CA 3.22Å; D40-G347 WeakPolarHBondContact OD1-CA 3.21Å; D40-G347 PolarHBondContact OD1-N 2.84Å; D40-G347 PolarHBondContact OD2-N 3.34Å; Y345-G347 PolarHBondContact O-N 2.95Å
348Q98.5Very high97.1Very high100 Ų10038.1 Ų38.147%0.46723%0.23SC..SBendtrans-95.2-1.1-179.6-64.2177.82300113.4D40 K344 Y345 A346 K350D40-Q348 PolarHBondContact OD1-N 2.79Å; K344-Q348 PolarHBondContact O-NE2 2.94Å; Y345-Q348 WeakPolarHBondContact O-CB 3.09Å; Y345-Q348 PolarHBondContact O-N 3.01Å; A346-Q348 VanDerWaalsContact C-N 3.25Å; A346-Q348 PolarHBondContact O-N 3.02Å; Q348-K350 HydrophobicContact CB-CB 4.14Å; Q348-K350 PolarHBondContact O-N 3.34Å
349D98.5Very high97.3Very high42 Ų4236.5 Ų36.523%0.22522%0.22CC..SBendtrans53.342.3-179.6-166.919.4000112D40 K404 C405 S406D40-D349 WeakPolarHBondContact OD1-CA 3Å; D40-D349 PolarHBondContact OD1-N 2.78Å; D349-K404 CarbonylContact O-C 3.6Å; D349-K404 VanDerWaalsContact O-CA 3.28Å; D349-K404 WeakPolarHBondContact O-CA 3.12Å; D349-K404 VanDerWaalsContact O-CB 3.26Å; D349-K404 WeakPolarHBondContact O-CB 3.34Å; D349-K404 WeakPolarHBondContact OD2-CB 3.48Å; D349-K404 WeakPolarHBondContact OD2-CD 3.41Å; D349-C405 PolarHBondContact O-N 3.42Å; D349-C405 WeakPolarHBondContact OD1-CA 3.44Å; D349-C405 WeakPolarHBondContact OD1-CB 3.49Å; D349-C405 PolarHBondContact OD1-N 3.37Å; D349-S406 VanDerWaalsContact CG-OG 3.32Å; D349-S406 WeakPolarHBondContact OD1-CB 3.29Å; D349-S406 PolarHBondContact OD1-N 3.48Å; D349-S406 PolarHBondContact OD1-OG 2.95Å; D349-S406 PolarHBondContact OD2-OG 3.1Å
350K98.3Very high97.6Very high74 Ų7434.7 Ų34.732%0.32221%0.211SC..  trans-117.8-38.6-166.2-178.7170.7-178.5169.20114.3Y345 Q348 Y391Y345-K350 HydrophobicContact CD1-CD 4.15Å; Y345-K350 HydrophobicContact CE1-CD 4.46Å; Q348-K350 HydrophobicContact CB-CB 4.14Å; Q348-K350 PolarHBondContact O-N 3.34Å; K350-Y391 HydrophobicContact CD-CD1 4.39Å; K350-Y391 HydrophobicContact CG-CD1 3.63Å; K350-Y391 HydrophobicContact CG-CE1 3.98Å; K350-Y391 HydrophobicContact CG-CG 4.11Å; K350-Y391 WeakPolarHBondContact O-CD1 3.33Å
351V98.2Very high97.9Very high9 Ų933 Ų336%0.05519%0.19CC..SBendtrans-75.9164.5-170.7-660000112.6I37 D40 V41 Y345 P353 C405I37-V351 HydrophobicContact CB-CG2 3.85Å; I37-V351 HydrophobicContact CD1-CB 4.24Å; I37-V351 HydrophobicContact CD1-CG1 4.19Å; I37-V351 HydrophobicContact CD1-CG2 3.95Å; I37-V351 HydrophobicContact CG1-CG2 4.42Å; I37-V351 HydrophobicContact CG2-CG1 3.93Å; I37-V351 HydrophobicContact CG2-CG2 4.12Å; D40-V351 HydrophobicContact CB-CG2 4.11Å; V41-V351 HydrophobicContact CG1-CG2 3.56Å; Y345-V351 HydrophobicContact CD2-CG1 4.14Å; Y345-V351 HydrophobicContact CG-CG1 4.28Å; V351-P353 WeakPolarHBondContact O-CD 3.36Å; V351-C405 WeakPolarHBondContact O-CB 3.47Å; V351-C405 PolarHBondContact O-SG 3.11Å; V351-C405 VanDerWaalsContact O-SG 3.39Å
352N98.2Very high98Very high8 Ų832.7 Ų32.74%0.04319%0.187CC..  trans-79.8120.3177.8-162-33000111I322 G354 T390 D392I322-N352 WeakPolarHBondContact CG2-ND2 3.47Å; N352-G354 PolarHBondContact O-N 3.31Å; N352-G354 WeakPolarHBondContact OD1-CA 3.36Å; N352-G354 PolarHBondContact OD1-N 2.94Å; N352-T390 WeakPolarHBondContact CB-OG1 3.43Å; N352-T390 VanDerWaalsContact CG-OG1 3.29Å; N352-T390 PolarHBondContact ND2-OG1 3.39Å; N352-D392 WeakPolarHBondContact CB-OD1 3.23Å; N352-D392 WeakPolarHBondContact CB-OD2 3.15Å; N352-D392 PolarHBondContact ND2-OD2 2.88Å
353P98.6Very high98.2Very high0 Ų031 Ų310%017%0.173CC..  trans-81.51.7174.433.8-35.4000113.5V41 A44 V351 S355 I356 I357 F408V41-P353 HydrophobicContact CB-CB 4.01Å; V41-P353 HydrophobicContact CG1-CB 4.14Å; A44-P353 HydrophobicContact CB-CB 3.88Å; A44-P353 HydrophobicContact CB-CG 4.09Å; V351-P353 WeakPolarHBondContact O-CD 3.36Å; P353-S355 VanDerWaalsContact C-N 3.29Å; P353-S355 PolarHBondContact O-N 2.64Å; P353-I356 HydrophobicContact CB-CG2 4.44Å; P353-I356 WeakPolarHBondContact O-CG2 3.38Å; P353-I356 PolarHBondContact O-N 3.23Å; P353-I357 HydrophobicContact CB-CD1 3.79Å; P353-I357 HydrophobicContact CB-CG1 4.39Å; P353-I357 HydrophobicContact CG-CD1 3.77Å; P353-I357 WeakPolarHBondContact O-CG1 3.16Å; P353-I357 PolarHBondContact O-N 3.27Å; P353-F408 HydrophobicContact CG-CD1 4Å
354G98.3Very high98.4Very high0 Ų026.3 Ų26.30%014%0.143CC..Hα-helixtrans-58.1-35.6-171.300000114.3N352 I357 L358N352-G354 PolarHBondContact O-N 3.31Å; N352-G354 WeakPolarHBondContact OD1-CA 3.36Å; N352-G354 PolarHBondContact OD1-N 2.94Å; G354-I357 PolarHBondContact O-N 3.34Å; G354-L358 VanDerWaalsContact O-CB 3.32Å; G354-L358 WeakPolarHBondContact O-CB 3.46Å; G354-L358 VanDerWaalsContact O-CG 3.3Å; G354-L358 WeakPolarHBondContact O-CG 3.38Å; G354-L358 PolarHBondContact O-N 3.38Å
355S98.5Very high98.4Very high0 Ų023.7 Ų23.70%013%0.129CC..Hα-helixtrans-61.9-48179173.60000112.1G321 A323 T338 P353 S359G321-S355 PolarHBondContact O-N 2.8Å; A323-S355 WeakPolarHBondContact O-CB 3.26Å; A323-S355 PolarHBondContact O-OG 3.07Å; T338-S355 PolarHBondContact N-OG 3.04Å; T338-S355 PolarHBondContact OG1-OG 2.95Å; P353-S355 VanDerWaalsContact C-N 3.29Å; P353-S355 PolarHBondContact O-N 2.64Å; S355-S359 WeakPolarHBondContact O-CB 3.36Å; S355-S359 PolarHBondContact O-N 3.04Å; S355-S359 PolarHBondContact O-OG 3.16Å
356I98.8Very high98.3Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-74.3-33.2-179.7-171.3158.3000111.8V41 M45 I99 A337 P353 S359 A360V41-I356 HydrophobicContact CB-CG2 3.73Å; V41-I356 HydrophobicContact CG2-CD1 4.46Å; V41-I356 HydrophobicContact CG2-CG2 3.86Å; M45-I356 HydrophobicContact CB-CG1 4.1Å; M45-I356 HydrophobicContact CB-CG2 3.93Å; M45-I356 HydrophobicContact CE-CD1 4.19Å; M45-I356 HydrophobicContact CE-CG1 4.17Å; M45-I356 HydrophobicContact CG-CG1 4.01Å; I99-I356 HydrophobicContact CD1-CG1 4.26Å; I99-I356 HydrophobicContact CG1-CG1 4.5Å; A337-I356 HydrophobicContact CB-CB 4.08Å; A337-I356 HydrophobicContact CB-CD1 4.42Å; P353-I356 HydrophobicContact CB-CG2 4.44Å; P353-I356 WeakPolarHBondContact O-CG2 3.38Å; P353-I356 PolarHBondContact O-N 3.23Å; I356-S359 PolarHBondContact O-N 2.86Å; I356-A360 PolarHBondContact O-N 2.7Å
357I98.8Very high98.3Very high0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-64.5-46.7174-72.4166.8000110.9M45 V48 P353 G354 S359 A360 E361 I376 M380 I412M45-I357 HydrophobicContact CB-CG1 4.01Å; M45-I357 HydrophobicContact CG-CG1 4.39Å; V48-I357 HydrophobicContact CB-CD1 4.4Å; V48-I357 HydrophobicContact CB-CG1 4.44Å; V48-I357 HydrophobicContact CG1-CG2 3.89Å; V48-I357 HydrophobicContact CG2-CD1 3.97Å; P353-I357 HydrophobicContact CB-CD1 3.79Å; P353-I357 HydrophobicContact CB-CG1 4.39Å; P353-I357 HydrophobicContact CG-CD1 3.77Å; P353-I357 WeakPolarHBondContact O-CG1 3.16Å; P353-I357 PolarHBondContact O-N 3.27Å; G354-I357 PolarHBondContact O-N 3.34Å; I357-S359 VanDerWaalsContact C-N 3.29Å; I357-S359 PolarHBondContact O-N 2.98Å; I357-A360 CarbonylContact O-C 3.53Å; I357-A360 WeakPolarHBondContact O-CA 3.38Å; I357-A360 WeakPolarHBondContact O-CB 3.41Å; I357-A360 PolarHBondContact O-N 2.96Å; I357-A360 VanDerWaalsContact O-N 3.13Å; I357-E361 PolarHBondContact O-N 3.49Å; I357-I376 HydrophobicContact CG2-CG2 3.48Å; I357-I376 VanDerWaalsContact CG2-CG2 3.48Å; I357-M380 HydrophobicContact CB-CE 4.25Å; I357-M380 HydrophobicContact CG2-CE 3.86Å; I357-I412 HydrophobicContact CD1-CD1 3.71Å; I357-I412 HydrophobicContact CG2-CD1 4.49Å
358L98.6Very high98.2Very high1 Ų123.1 Ų23.11%0.00512%0.118CC..Hα-helixtrans-71.8-25.5177.8-68178.2000112Y134 I322 P324 G354 A360 E361 M362 I376 M380Y134-L358 HydrophobicContact CE1-CD2 4.39Å; Y134-L358 HydrophobicContact CE2-CD1 3.68Å; Y134-L358 WeakPolarHBondContact OH-CD2 3.27Å; I322-L358 HydrophobicContact CB-CD1 4.33Å; I322-L358 WeakPolarHBondContact O-CD1 3.48Å; P324-L358 VanDerWaalsContact CB-C 3.49Å; P324-L358 HydrophobicContact CB-CB 3.69Å; P324-L358 HydrophobicContact CG-CB 4.11Å; G354-L358 VanDerWaalsContact O-CB 3.32Å; G354-L358 WeakPolarHBondContact O-CB 3.46Å; G354-L358 VanDerWaalsContact O-CG 3.3Å; G354-L358 WeakPolarHBondContact O-CG 3.38Å; G354-L358 PolarHBondContact O-N 3.38Å; L358-A360 VanDerWaalsContact C-N 3.34Å; L358-E361 WeakPolarHBondContact O-CB 3.48Å; L358-E361 PolarHBondContact O-N 3.45Å; L358-M362 WeakPolarHBondContact O-CG 3.42Å; L358-M362 PolarHBondContact O-N 3.31Å; L358-M362 VanDerWaalsContact O-N 3.11Å; L358-I376 HydrophobicContact CD2-CG2 4.44Å; L358-M380 HydrophobicContact CD1-CG 4.48Å; L358-M380 HydrophobicContact CD2-CB 4.44Å; L358-M380 HydrophobicContact CD2-CE 4.27Å; L358-M380 HydrophobicContact CD2-CG 4.28Å; L358-M380 HydrophobicContact CG-CE 4.07Å
359S98.8Very high98.2Very high0 Ų018.6 Ų18.60%010%0.097CC..Hα-helixtrans-70.8-33.1168.9-56.30000111.6P324 G325 F335 E336 S355 I356 I357 M362 M363P324-S359 VanDerWaalsContact CA-OG 3.29Å; P324-S359 WeakPolarHBondContact CA-OG 3.49Å; G325-S359 PolarHBondContact N-OG 2.86Å; F335-S359 VanDerWaalsContact CD1-O 3.27Å; F335-S359 WeakPolarHBondContact CD1-O 3.47Å; E336-S359 PolarHBondContact O-OG 3.32Å; S355-S359 WeakPolarHBondContact O-CB 3.36Å; S355-S359 PolarHBondContact O-N 3.04Å; S355-S359 PolarHBondContact O-OG 3.16Å; I356-S359 PolarHBondContact O-N 2.86Å; I357-S359 VanDerWaalsContact C-N 3.29Å; I357-S359 PolarHBondContact O-N 2.98Å; S359-M362 WeakPolarHBondContact O-CB 3.21Å; S359-M362 PolarHBondContact O-N 2.61Å; S359-M363 PolarHBondContact O-N 3.28Å
360A98.9Very high98.1Very high0 Ų019.2 Ų19.20%010%0.102CC..Hα-helixtrans-70.9-31.3170.900000112.6M45 V49 I99 I356 I357 L358 M363 L364M45-A360 HydrophobicContact CG-CB 3.77Å; M45-A360 HydrophobicContact SD-CB 3.93Å; V49-A360 HydrophobicContact CG2-CB 3.41Å; V49-A360 VanDerWaalsContact CG2-CB 3.41Å; I99-A360 HydrophobicContact CD1-CB 3.64Å; I356-A360 PolarHBondContact O-N 2.7Å; I357-A360 CarbonylContact O-C 3.53Å; I357-A360 WeakPolarHBondContact O-CA 3.38Å; I357-A360 WeakPolarHBondContact O-CB 3.41Å; I357-A360 PolarHBondContact O-N 2.96Å; I357-A360 VanDerWaalsContact O-N 3.13Å; L358-A360 VanDerWaalsContact C-N 3.34Å; A360-M363 VanDerWaalsContact O-CB 3.31Å; A360-M363 WeakPolarHBondContact O-CB 3.37Å; A360-M363 PolarHBondContact O-N 3.4Å; A360-L364 WeakPolarHBondContact O-CG 3.37Å; A360-L364 PolarHBondContact O-N 3.15Å
361E98.6Very high98.1Very high18 Ų1820.4 Ų20.48%0.08411%0.109CC..Hα-helixtrans-58-48.8167.5-178.6-75.514900110.7I357 L358 M363 L364 R365 A373 I376 V377I357-E361 PolarHBondContact O-N 3.49Å; L358-E361 WeakPolarHBondContact O-CB 3.48Å; L358-E361 PolarHBondContact O-N 3.45Å; E361-M363 PolarHBondContact O-N 3.43Å; E361-L364 PolarHBondContact O-N 3.19Å; E361-R365 PolarHBondContact O-N 2.86Å; E361-R365 IonicContact OE1-CZ 2.7Å; E361-R365 IonicContact OE1-NE 2.85Å; E361-R365 PolarHBondContact OE1-NE 3.41Å; E361-R365 IonicContact OE1-NH2 2.56Å; E361-R365 PolarHBondContact OE1-NH2 3.06Å; E361-A373 HydrophobicContact CG-CB 3.97Å; E361-A373 WeakPolarHBondContact CG-O 3.46Å; E361-I376 HydrophobicContact CB-CB 4.27Å; E361-I376 HydrophobicContact CB-CD1 4.47Å; E361-I376 HydrophobicContact CB-CG2 4.01Å; E361-I376 HydrophobicContact CG-CB 4.38Å; E361-I376 HydrophobicContact CG-CG2 4.47Å; E361-V377 HydrophobicContact CG-CG2 3.74Å
362M98.4Very high98.1Very high14 Ų1420 Ų207%0.06911%0.107CC..Hα-helixtrans-59-38.9174.5-64177.267.500111.6L128 P130 P324 A326 F335 L358 S359 R365 H366L128-M362 HydrophobicContact CB-CE 4.15Å; L128-M362 HydrophobicContact CD2-CE 3.72Å; L128-M362 HydrophobicContact CG-CE 3.77Å; P130-M362 VanDerWaalsContact CD-CE 3.45Å; P130-M362 WeakPolarHBondContact CD-SD 3.2Å; P130-M362 HydrophobicContact CG-CE 3.85Å; P130-M362 HydrophobicContact CG-CG 4.13Å; P130-M362 HydrophobicContact CG-SD 3.57Å; P130-M362 VanDerWaalsContact CG-SD 3.57Å; P324-M362 HydrophobicContact CB-CG 4.4Å; P324-M362 HydrophobicContact CB-SD 3.69Å; P324-M362 HydrophobicContact CG-SD 4.04Å; A326-M362 HydrophobicContact CB-CE 3.69Å; F335-M362 HydrophobicContact CD1-CB 3.73Å; F335-M362 HydrophobicContact CE1-CB 3.61Å; L358-M362 WeakPolarHBondContact O-CG 3.42Å; L358-M362 PolarHBondContact O-N 3.31Å; L358-M362 VanDerWaalsContact O-N 3.11Å; S359-M362 WeakPolarHBondContact O-CB 3.21Å; S359-M362 PolarHBondContact O-N 2.61Å; M362-R365 PolarHBondContact O-N 3.27Å; M362-H366 VanDerWaalsContact O-CB 3.32Å; M362-H366 WeakPolarHBondContact O-CB 3.26Å; M362-H366 PolarHBondContact O-N 3.42Å
363M98.7Very high98.1Very high0 Ų019.6 Ų19.60%011%0.105CC..Hα-helixtrans-60.8-49.7176.9-173-172.868.200111.9I29 I63 W65 V97 I99 F335 S359 A360 E361 R365 H366 M367I29-M363 HydrophobicContact CG2-CE 4.34Å; I29-M363 HydrophobicContact CG2-SD 3.77Å; I63-M363 HydrophobicContact CD1-CE 4.36Å; W65-M363 HydrophobicContact CH2-CE 3.72Å; W65-M363 HydrophobicContact CZ3-CE 4.16Å; V97-M363 HydrophobicContact CG1-CG 3.4Å; V97-M363 VanDerWaalsContact CG1-CG 3.4Å; V97-M363 HydrophobicContact CG1-SD 3.96Å; I99-M363 HydrophobicContact CB-SD 4.04Å; I99-M363 HydrophobicContact CG2-SD 4.3Å; F335-M363 HydrophobicContact CB-CB 4.35Å; F335-M363 HydrophobicContact CD1-CB 3.95Å; F335-M363 HydrophobicContact CD2-CB 3.57Å; F335-M363 HydrophobicContact CD2-CG 3.55Å; F335-M363 HydrophobicContact CD2-SD 4.43Å; F335-M363 HydrophobicContact CE1-CB 4.2Å; F335-M363 VanDerWaalsContact CE1-N 3.33Å; F335-M363 HydrophobicContact CE2-CB 3.86Å; F335-M363 HydrophobicContact CE2-CG 3.78Å; F335-M363 HydrophobicContact CG-CB 3.65Å; F335-M363 HydrophobicContact CG-CG 4.14Å; F335-M363 HydrophobicContact CZ-CB 4.18Å; F335-M363 HydrophobicContact CZ-CG 4.5Å; S359-M363 PolarHBondContact O-N 3.28Å; A360-M363 VanDerWaalsContact O-CB 3.31Å; A360-M363 WeakPolarHBondContact O-CB 3.37Å; A360-M363 PolarHBondContact O-N 3.4Å; E361-M363 PolarHBondContact O-N 3.43Å; M363-R365 VanDerWaalsContact C-N 3.34Å; M363-R365 PolarHBondContact O-N 3.18Å; M363-H366 WeakPolarHBondContact O-CB 3.43Å; M363-H366 PolarHBondContact O-N 2.82Å; M363-M367 HydrophobicContact CE-SD 4.5Å; M363-M367 HydrophobicContact CG-SD 4.09Å; M363-M367 VanDerWaalsContact O-CG 3.3Å; M363-M367 WeakPolarHBondContact O-CG 3.44Å; M363-M367 PolarHBondContact O-N 3.35Å
364L98.7Very high98.1Very high0 Ų023.5 Ų23.50%013%0.125CC..Hα-helixtrans-62.2-42.2177.7-67.6170.5000111.2V49 V53 I63 A360 E361 H366 M367 G368 W369 A372 A373 I376V49-L364 HydrophobicContact CG1-CD1 4.27Å; V49-L364 HydrophobicContact CG1-CD2 4.3Å; V53-L364 HydrophobicContact CG2-CD2 3.9Å; I63-L364 HydrophobicContact CD1-CD2 4.08Å; A360-L364 WeakPolarHBondContact O-CG 3.37Å; A360-L364 PolarHBondContact O-N 3.15Å; E361-L364 PolarHBondContact O-N 3.19Å; L364-H366 VanDerWaalsContact C-N 3.34Å; L364-H366 PolarHBondContact O-N 2.8Å; L364-M367 CarbonylContact O-C 3.54Å; L364-M367 WeakPolarHBondContact O-CB 3.27Å; L364-M367 PolarHBondContact O-N 2.81Å; L364-M367 VanDerWaalsContact O-N 3.17Å; L364-G368 PolarHBondContact O-N 2.9Å; L364-W369 HydrophobicContact CB-CB 4.35Å; L364-W369 HydrophobicContact CD2-CB 4.39Å; L364-W369 HydrophobicContact CD2-CE3 3.83Å; L364-W369 WeakPolarHBondContact O-CA 3.4Å; L364-W369 PolarHBondContact O-N 3.31Å; L364-A372 HydrophobicContact CD1-CB 4.05Å; L364-A373 HydrophobicContact CB-CB 4.01Å; L364-I376 HydrophobicContact CD1-CD1 3.61Å
365R97.3Very high98.1Very high87 Ų8724.9 Ų24.933%0.32813%0.133SC..Hα-helixtrans-62.2-42176.2-166.9171.6-60.6-77.7-3.8111.7E361 M362 M363 M367 G368 T370 A373 D374E361-R365 PolarHBondContact O-N 2.86Å; E361-R365 IonicContact OE1-CZ 2.7Å; E361-R365 IonicContact OE1-NE 2.85Å; E361-R365 PolarHBondContact OE1-NE 3.41Å; E361-R365 IonicContact OE1-NH2 2.56Å; E361-R365 PolarHBondContact OE1-NH2 3.06Å; M362-R365 PolarHBondContact O-N 3.27Å; M363-R365 VanDerWaalsContact C-N 3.34Å; M363-R365 PolarHBondContact O-N 3.18Å; R365-M367 VanDerWaalsContact C-N 3.3Å; R365-M367 PolarHBondContact O-N 2.86Å; R365-G368 PolarHBondContact O-N 3.32Å; R365-T370 HydrophobicContact CG-CG2 4.35Å; R365-A373 HydrophobicContact CB-CB 4.23Å; R365-D374 IonicContact CZ-OD1 2.75Å; R365-D374 IonicContact NH1-OD1 3.02Å; R365-D374 PolarHBondContact NH1-OD1 3.06Å; R365-D374 IonicContact NH2-OD1 3.32Å; R365-D374 PolarHBondContact NH2-OD1 3.45Å
366H96.2Very high98.1Very high74 Ų7424.9 Ų24.934%0.34313%0.133SC..Hα-helixtrans-64.2-33.5174.6-175.179.7000112.8L21 F335 M362 M363 L364 G368L21-H366 WeakPolarHBondContact CD1-NE2 3.34Å; F335-H366 HydrophobicContact CE1-CB 4.36Å; F335-H366 HydrophobicContact CE2-CB 4.4Å; F335-H366 HydrophobicContact CZ-CB 3.58Å; F335-H366 AromaticContact CZ-CG 3.83Å; M362-H366 VanDerWaalsContact O-CB 3.32Å; M362-H366 WeakPolarHBondContact O-CB 3.26Å; M362-H366 PolarHBondContact O-N 3.42Å; M363-H366 WeakPolarHBondContact O-CB 3.43Å; M363-H366 PolarHBondContact O-N 2.82Å; L364-H366 VanDerWaalsContact C-N 3.34Å; L364-H366 PolarHBondContact O-N 2.8Å; H366-G368 PolarHBondContact O-N 3.01Å
367M97.7Very high98.1Very high10 Ų1025.7 Ų25.75%0.04914%0.137CC..THydrogen-bonded Turntrans-73.9-4.1172.5-69.716759.600113.6I14 V23 P27 I29 V97 M363 L364 R365 W369I14-M367 HydrophobicContact CD1-CE 4.5Å; V23-M367 HydrophobicContact CG1-CB 4.28Å; V23-M367 HydrophobicContact CG1-CE 3.74Å; V23-M367 HydrophobicContact CG2-CB 4.18Å; V23-M367 HydrophobicContact CG2-CG 4.45Å; P27-M367 HydrophobicContact CB-CE 4.24Å; P27-M367 HydrophobicContact CG-CE 3.65Å; I29-M367 HydrophobicContact CD1-CE 4.01Å; I29-M367 HydrophobicContact CD1-SD 3.89Å; V97-M367 HydrophobicContact CG1-CG 4.24Å; V97-M367 HydrophobicContact CG1-SD 4.2Å; V97-M367 HydrophobicContact CG2-CG 4.37Å; M363-M367 HydrophobicContact CE-SD 4.5Å; M363-M367 HydrophobicContact CG-SD 4.09Å; M363-M367 VanDerWaalsContact O-CG 3.3Å; M363-M367 WeakPolarHBondContact O-CG 3.44Å; M363-M367 PolarHBondContact O-N 3.35Å; L364-M367 CarbonylContact O-C 3.54Å; L364-M367 WeakPolarHBondContact O-CB 3.27Å; L364-M367 PolarHBondContact O-N 2.81Å; L364-M367 VanDerWaalsContact O-N 3.17Å; R365-M367 VanDerWaalsContact C-N 3.3Å; R365-M367 PolarHBondContact O-N 2.86Å; M367-W369 VanDerWaalsContact C-N 3.29Å; M367-W369 HydrophobicContact CB-CG 4.38Å; M367-W369 HydrophobicContact CE-CD2 4.09Å; M367-W369 HydrophobicContact CE-CE3 4.15Å; M367-W369 HydrophobicContact CE-CH2 4.25Å; M367-W369 HydrophobicContact CE-CZ2 4.16Å; M367-W369 HydrophobicContact CE-CZ3 4.23Å
368G95.9Very high98Very high48 Ų4830.9 Ų30.950%0.49516%0.16SC..THydrogen-bonded Turntrans74.916.3-174.100000113.8L364 R365 H366 T370L364-G368 PolarHBondContact O-N 2.9Å; R365-G368 PolarHBondContact O-N 3.32Å; H366-G368 PolarHBondContact O-N 3.01Å; G368-T370 VanDerWaalsContact C-N 3.31Å; G368-T370 PolarHBondContact O-N 3.09Å
369W97.9Very high98Very high6 Ų630.9 Ų30.92%0.02316%0.16CC..  trans-95.558.6177.6-68.816.9000110.1V23 P24 P27 V53 Y57 R61 I63 L364 M367 E371 A372 A373V23-W369 HydrophobicContact CG1-CZ2 4.08Å; P24-W369 WeakPolarHBondContact O-CZ2 3.47Å; P27-W369 VanDerWaalsContact CD-CH2 3.41Å; P27-W369 HydrophobicContact CG-CH2 3.49Å; P27-W369 VanDerWaalsContact CG-CH2 3.49Å; P27-W369 HydrophobicContact CG-CZ2 3.71Å; P27-W369 HydrophobicContact CG-CZ3 4.37Å; V53-W369 HydrophobicContact CG1-CE3 4.25Å; V53-W369 HydrophobicContact CG1-CZ3 3.7Å; V53-W369 HydrophobicContact CG2-CE3 3.96Å; V53-W369 HydrophobicContact CG2-CZ3 3.93Å; Y57-W369 HydrophobicContact CE2-CB 4.16Å; Y57-W369 HydrophobicContact CE2-CD2 4.23Å; Y57-W369 HydrophobicContact CE2-CE3 4.13Å; Y57-W369 HydrophobicContact CE2-CG 4.27Å; Y57-W369 WeakPolarHBondContact OH-CA 3.34Å; Y57-W369 WeakPolarHBondContact OH-CB 3.35Å; Y57-W369 PolarHBondContact OH-O 3.11Å; R61-W369 HydrophobicContact CB-CH2 3.86Å; R61-W369 HydrophobicContact CB-CZ2 4.2Å; R61-W369 HydrophobicContact CB-CZ3 4.23Å; R61-W369 HydrophobicContact CG-CZ2 4.37Å; I63-W369 HydrophobicContact CD1-CZ3 4.23Å; I63-W369 HydrophobicContact CG1-CH2 4.22Å; I63-W369 HydrophobicContact CG1-CZ3 3.78Å; L364-W369 HydrophobicContact CB-CB 4.35Å; L364-W369 HydrophobicContact CD2-CB 4.39Å; L364-W369 HydrophobicContact CD2-CE3 3.83Å; L364-W369 WeakPolarHBondContact O-CA 3.4Å; L364-W369 PolarHBondContact O-N 3.31Å; M367-W369 VanDerWaalsContact C-N 3.29Å; M367-W369 HydrophobicContact CB-CG 4.38Å; M367-W369 HydrophobicContact CE-CD2 4.09Å; M367-W369 HydrophobicContact CE-CE3 4.15Å; M367-W369 HydrophobicContact CE-CH2 4.25Å; M367-W369 HydrophobicContact CE-CZ2 4.16Å; M367-W369 HydrophobicContact CE-CZ3 4.23Å; W369-E371 PolarHBondContact O-N 3.01Å; W369-A372 PolarHBondContact O-N 3.45Å; W369-A373 PolarHBondContact O-N 2.95Å
370T96.6Very high98Very high54 Ų5430.9 Ų30.933%0.33116%0.16SC..Hα-helixtrans-66.3-34.7-168.852.60000112.9R365 G368 A372 A373 D374R365-T370 HydrophobicContact CG-CG2 4.35Å; G368-T370 VanDerWaalsContact C-N 3.31Å; G368-T370 PolarHBondContact O-N 3.09Å; T370-A372 VanDerWaalsContact C-N 3.35Å; T370-A372 PolarHBondContact O-N 3.28Å; T370-A373 WeakPolarHBondContact O-CB 3.34Å; T370-A373 PolarHBondContact O-N 3.07Å; T370-D374 WeakPolarHBondContact O-CB 3.3Å; T370-D374 PolarHBondContact O-N 3.22Å
371E98.2Very high97.9Very high100 Ų10034 Ų3447%0.46718%0.175SC..Hα-helixtrans-64.8-39.5-179.9-54.589.1161.400111.8A56 Y57 W369 D374 L375A56-E371 HydrophobicContact CB-CB 4.22Å; Y57-E371 HydrophobicContact CE1-CB 4.39Å; Y57-E371 WeakPolarHBondContact CE1-OE2 3.48Å; Y57-E371 PolarHBondContact OH-OE2 2.7Å; W369-E371 PolarHBondContact O-N 3.01Å; E371-D374 PolarHBondContact O-N 3Å; E371-L375 WeakPolarHBondContact O-CG 3.49Å; E371-L375 PolarHBondContact O-N 2.55Å
372A98.7Very high97.9Very high0 Ų034.1 Ų34.10%018%0.18CC..Hα-helixtrans-69.5-38.7174.900000111.8V53 A56 Y57 L364 W369 T370 D374 L375 I376V53-A372 HydrophobicContact CG2-CB 4.14Å; A56-A372 HydrophobicContact CB-CB 3.89Å; Y57-A372 HydrophobicContact CE2-CB 3.72Å; L364-A372 HydrophobicContact CD1-CB 4.05Å; W369-A372 PolarHBondContact O-N 3.45Å; T370-A372 VanDerWaalsContact C-N 3.35Å; T370-A372 PolarHBondContact O-N 3.28Å; A372-D374 VanDerWaalsContact C-N 3.34Å; A372-L375 PolarHBondContact O-N 3.47Å; A372-I376 PolarHBondContact O-N 3.35Å
373A98.4Very high97.9Very high0 Ų033.5 Ų33.50%018%0.177CC..Hα-helixtrans-60-44.7173.700000111.4E361 L364 R365 W369 T370 L375 I376 V377E361-A373 HydrophobicContact CG-CB 3.97Å; E361-A373 WeakPolarHBondContact CG-O 3.46Å; L364-A373 HydrophobicContact CB-CB 4.01Å; R365-A373 HydrophobicContact CB-CB 4.23Å; W369-A373 PolarHBondContact O-N 2.95Å; T370-A373 WeakPolarHBondContact O-CB 3.34Å; T370-A373 PolarHBondContact O-N 3.07Å; A373-L375 VanDerWaalsContact C-N 3.3Å; A373-L375 PolarHBondContact O-N 3.06Å; A373-I376 WeakPolarHBondContact O-CB 3.22Å; A373-I376 PolarHBondContact O-N 3.23Å; A373-V377 PolarHBondContact O-N 3.34Å; A373-V377 VanDerWaalsContact O-N 3.09Å
374D98.2Very high97.8Very high82 Ų8233.5 Ų33.544%0.43918%0.177SC..Hα-helixtrans-63.6-34.1179-65.2-18.7000112.3R365 T370 E371 A372 V377 K378R365-D374 IonicContact CZ-OD1 2.75Å; R365-D374 IonicContact NH1-OD1 3.02Å; R365-D374 PolarHBondContact NH1-OD1 3.06Å; R365-D374 IonicContact NH2-OD1 3.32Å; R365-D374 PolarHBondContact NH2-OD1 3.45Å; T370-D374 WeakPolarHBondContact O-CB 3.3Å; T370-D374 PolarHBondContact O-N 3.22Å; E371-D374 PolarHBondContact O-N 3Å; A372-D374 VanDerWaalsContact C-N 3.34Å; D374-V377 PolarHBondContact O-N 2.88Å; D374-K378 WeakPolarHBondContact O-CB 3.17Å; D374-K378 PolarHBondContact O-N 2.66Å
375L98.6Very high97.7Very high29 Ų2937.4 Ų37.415%0.15220%0.198CC..Hα-helixtrans-63.8-39171.9-69.1-179.9000112.3A52 K55 A56 E371 A372 A373 K378 G379 M416A52-L375 HydrophobicContact CB-CB 4.34Å; A52-L375 WeakPolarHBondContact O-CD1 3.25Å; K55-L375 HydrophobicContact CB-CD1 3.95Å; K55-L375 HydrophobicContact CD-CD1 4.16Å; K55-L375 HydrophobicContact CG-CD1 3.87Å; A56-L375 HydrophobicContact CB-CD1 3.84Å; E371-L375 WeakPolarHBondContact O-CG 3.49Å; E371-L375 PolarHBondContact O-N 2.55Å; A372-L375 PolarHBondContact O-N 3.47Å; A373-L375 VanDerWaalsContact C-N 3.3Å; A373-L375 PolarHBondContact O-N 3.06Å; L375-K378 PolarHBondContact O-N 3.48Å; L375-G379 PolarHBondContact O-N 2.76Å; L375-M416 HydrophobicContact CB-CB 4.4Å; L375-M416 HydrophobicContact CB-CG 4.31Å; L375-M416 HydrophobicContact CB-SD 4.42Å; L375-M416 HydrophobicContact CD2-CB 4.46Å; L375-M416 VanDerWaalsContact CD2-OXT 3.24Å; L375-M416 WeakPolarHBondContact CD2-OXT 3.41Å
376I98.7Very high97.8Very high0 Ų036 Ų360%021%0.205CC..Hα-helixtrans-64.4-45.1176.1-64.9180000110.5V48 V49 A52 I357 L358 E361 L364 A372 A373 K378 G379 M380 M416V48-I376 HydrophobicContact CG1-CG1 4.29Å; V49-I376 HydrophobicContact CG2-CD1 4.04Å; A52-I376 HydrophobicContact CB-CD1 4.26Å; A52-I376 HydrophobicContact CB-CG1 3.73Å; I357-I376 HydrophobicContact CG2-CG2 3.48Å; I357-I376 VanDerWaalsContact CG2-CG2 3.48Å; L358-I376 HydrophobicContact CD2-CG2 4.44Å; E361-I376 HydrophobicContact CB-CB 4.27Å; E361-I376 HydrophobicContact CB-CD1 4.47Å; E361-I376 HydrophobicContact CB-CG2 4.01Å; E361-I376 HydrophobicContact CG-CB 4.38Å; E361-I376 HydrophobicContact CG-CG2 4.47Å; L364-I376 HydrophobicContact CD1-CD1 3.61Å; A372-I376 PolarHBondContact O-N 3.35Å; A373-I376 WeakPolarHBondContact O-CB 3.22Å; A373-I376 PolarHBondContact O-N 3.23Å; I376-K378 VanDerWaalsContact C-N 3.34Å; I376-K378 PolarHBondContact O-N 3.18Å; I376-G379 PolarHBondContact O-N 2.79Å; I376-M380 WeakPolarHBondContact O-CB 3.38Å; I376-M380 PolarHBondContact O-N 2.93Å; I376-M416 HydrophobicContact CG1-CE 4.45Å
377V97.9Very high97.9Very high16 Ų1636.8 Ų36.810%0.09721%0.207CC..Hα-helixtrans-58.1-48.9175.7177.70000110.4Y134 E361 A373 D374 G379 M380 E381Y134-V377 HydrophobicContact CE1-CG1 4.26Å; E361-V377 HydrophobicContact CG-CG2 3.74Å; A373-V377 PolarHBondContact O-N 3.34Å; A373-V377 VanDerWaalsContact O-N 3.09Å; D374-V377 PolarHBondContact O-N 2.88Å; V377-G379 PolarHBondContact O-N 2.93Å; V377-M380 PolarHBondContact O-N 3.33Å; V377-E381 HydrophobicContact CG1-CG 4.43Å; V377-E381 WeakPolarHBondContact O-CG 3.48Å; V377-E381 PolarHBondContact O-N 2.85Å
378K98.1Very high97.9Very high110 Ų11037.6 Ų37.648%0.47821%0.213SC..Hα-helixtrans-59.4-45.8178-179.8-175.9164.7-159.20112.1D374 L375 I376 E381 G382 M416D374-K378 WeakPolarHBondContact O-CB 3.17Å; D374-K378 PolarHBondContact O-N 2.66Å; L375-K378 PolarHBondContact O-N 3.48Å; I376-K378 VanDerWaalsContact C-N 3.34Å; I376-K378 PolarHBondContact O-N 3.18Å; K378-E381 PolarHBondContact O-N 2.97Å; K378-G382 PolarHBondContact O-N 3.18Å; K378-M416 VanDerWaalsContact CD-OXT 3.32Å; K378-M416 WeakPolarHBondContact CD-OXT 3.45Å; K378-M416 VanDerWaalsContact CE-OXT 3.29Å; K378-M416 WeakPolarHBondContact CE-OXT 3.49Å; K378-M416 PolarHBondContact NZ-O 3.24Å; K378-M416 PolarHBondContact NZ-OXT 3.2Å
379G98.5Very high98Very high0 Ų035.3 Ų35.30%019%0.189CC..Hα-helixtrans-62.3-42.2178.100000112.3L375 I376 V377 G382 A383 I412L375-G379 PolarHBondContact O-N 2.76Å; I376-G379 PolarHBondContact O-N 2.79Å; V377-G379 PolarHBondContact O-N 2.93Å; G379-G382 PolarHBondContact O-N 3.27Å; G379-A383 WeakPolarHBondContact O-CB 3.33Å; G379-A383 PolarHBondContact O-N 3.49Å; G379-I412 VanDerWaalsContact CA-O 3.29Å; G379-I412 WeakPolarHBondContact CA-O 3.36Å
380M98.3Very high98Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-64.5-48.7176.8-171.464.170.500111.7Y134 I357 L358 I376 V377 G382 A383 I384 F408 I412Y134-M380 HydrophobicContact CD1-CB 4.23Å; Y134-M380 HydrophobicContact CD1-CG 3.8Å; Y134-M380 HydrophobicContact CE1-CB 3.99Å; Y134-M380 HydrophobicContact CE1-CG 3.79Å; Y134-M380 HydrophobicContact CG-CG 4.47Å; I357-M380 HydrophobicContact CB-CE 4.25Å; I357-M380 HydrophobicContact CG2-CE 3.86Å; L358-M380 HydrophobicContact CD1-CG 4.48Å; L358-M380 HydrophobicContact CD2-CB 4.44Å; L358-M380 HydrophobicContact CD2-CE 4.27Å; L358-M380 HydrophobicContact CD2-CG 4.28Å; L358-M380 HydrophobicContact CG-CE 4.07Å; I376-M380 WeakPolarHBondContact O-CB 3.38Å; I376-M380 PolarHBondContact O-N 2.93Å; V377-M380 PolarHBondContact O-N 3.33Å; M380-G382 VanDerWaalsContact C-N 3.35Å; M380-G382 PolarHBondContact O-N 3.42Å; M380-A383 PolarHBondContact O-N 3.2Å; M380-I384 HydrophobicContact CG-CD1 3.91Å; M380-I384 WeakPolarHBondContact O-CG1 3.49Å; M380-I384 PolarHBondContact O-N 3.38Å; M380-I384 VanDerWaalsContact O-N 3.11Å; M380-I384 HydrophobicContact SD-CD1 3.89Å; M380-I384 HydrophobicContact SD-CG1 4.39Å; M380-F408 HydrophobicContact CE-CE1 4.4Å; M380-F408 HydrophobicContact SD-CE1 3.92Å; M380-F408 HydrophobicContact SD-CZ 3.83Å; M380-I412 HydrophobicContact CE-CD1 3.48Å; M380-I412 VanDerWaalsContact CE-CD1 3.48Å; M380-I412 HydrophobicContact CE-CG1 4.38Å; M380-I412 HydrophobicContact SD-CD1 3.99Å; M380-I412 HydrophobicContact SD-CG1 4.41Å
381E96.6Very high98.1Very high67 Ų6734.7 Ų34.731%0.31318%0.181SC..Hα-helixtrans-59.1-45.6176-73.5-18016400111.1R132 Y134 V377 K378 N385R132-E381 IonicContact CZ-OE1 2.71Å; R132-E381 IonicContact NH2-OE1 3.71Å; R132-E381 PolarHBondContact NH2-OE1 3.24Å; Y134-E381 HydrophobicContact CD1-CG 3.49Å; Y134-E381 VanDerWaalsContact CD1-CG 3.49Å; Y134-E381 HydrophobicContact CE1-CG 3.92Å; V377-E381 HydrophobicContact CG1-CG 4.43Å; V377-E381 WeakPolarHBondContact O-CG 3.48Å; V377-E381 PolarHBondContact O-N 2.85Å; K378-E381 PolarHBondContact O-N 2.97Å; E381-N385 WeakPolarHBondContact O-CB 3.18Å; E381-N385 PolarHBondContact O-N 3.48Å
382G97.8Very high98Very high20 Ų2031 Ų3121%0.20617%0.165CC..Hα-helixtrans-62.9-48.2178.700000113.3K378 G379 M380 I384 N385 A386K378-G382 PolarHBondContact O-N 3.18Å; G379-G382 PolarHBondContact O-N 3.27Å; M380-G382 VanDerWaalsContact C-N 3.35Å; M380-G382 PolarHBondContact O-N 3.42Å; G382-I384 PolarHBondContact O-N 2.97Å; G382-N385 PolarHBondContact O-N 3.06Å; G382-A386 VanDerWaalsContact O-CB 3.27Å; G382-A386 WeakPolarHBondContact O-CB 3.45Å; G382-A386 PolarHBondContact O-N 3.05Å
383A98.3Very high98Very high0 Ų031.3 Ų31.30%017%0.166CC..Hα-helixtrans-64.1-42.2-178.500000112.8G379 M380 T388 F408 A411 I412G379-A383 WeakPolarHBondContact O-CB 3.33Å; G379-A383 PolarHBondContact O-N 3.49Å; M380-A383 PolarHBondContact O-N 3.2Å; A383-T388 PolarHBondContact O-N 2.84Å; A383-T388 PolarHBondContact O-OG1 3.14Å; A383-T388 VanDerWaalsContact O-OG1 3.11Å; A383-F408 HydrophobicContact CB-CE2 3.94Å; A383-F408 HydrophobicContact CB-CZ 4.5Å; A383-A411 HydrophobicContact CB-CB 4.16Å; A383-I412 HydrophobicContact CB-CG1 4.12Å
384I97.9Very high98Very high0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-67.7-44.8177.3-65.4171.4000110.6Y134 Q135 I322 M380 G382 A386 K387 V389 F393 F408Y134-I384 HydrophobicContact CG-CD1 4.4Å; Q135-I384 WeakPolarHBondContact O-CG2 3.08Å; I322-I384 HydrophobicContact CD1-CD1 4.41Å; M380-I384 HydrophobicContact CG-CD1 3.91Å; M380-I384 WeakPolarHBondContact O-CG1 3.49Å; M380-I384 PolarHBondContact O-N 3.38Å; M380-I384 VanDerWaalsContact O-N 3.11Å; M380-I384 HydrophobicContact SD-CD1 3.89Å; M380-I384 HydrophobicContact SD-CG1 4.39Å; G382-I384 PolarHBondContact O-N 2.97Å; I384-A386 VanDerWaalsContact C-N 3.29Å; I384-A386 PolarHBondContact O-N 3.25Å; I384-K387 WeakPolarHBondContact O-CA 3.48Å; I384-K387 PolarHBondContact O-N 3.22Å; I384-V389 HydrophobicContact CG1-CG1 4.45Å; I384-F393 HydrophobicContact CD1-CE2 3.95Å; I384-F393 HydrophobicContact CG1-CE2 4.19Å; I384-F408 HydrophobicContact CG1-CZ 4.16Å
385N96.6Very high98Very high83 Ų8338.3 Ų38.344%0.44419%0.189SC..Hα-helixtrans-67.7-30.9-178.7-1574.7000112.1E381 G382 K387E381-N385 WeakPolarHBondContact O-CB 3.18Å; E381-N385 PolarHBondContact O-N 3.48Å; G382-N385 PolarHBondContact O-N 3.06Å; N385-K387 PolarHBondContact O-N 2.85Å
386A97.9Very high97.9Very high57 Ų5742.1 Ų42.147%0.47121%0.209SC..THydrogen-bonded Turntrans-69.6-4.417000000113.8G382 I384 T388G382-A386 VanDerWaalsContact O-CB 3.27Å; G382-A386 WeakPolarHBondContact O-CB 3.45Å; G382-A386 PolarHBondContact O-N 3.05Å; I384-A386 VanDerWaalsContact C-N 3.29Å; I384-A386 PolarHBondContact O-N 3.25Å; A386-T388 HydrophobicContact CB-CG2 4.36Å; A386-T388 PolarHBondContact O-N 2.98Å
387K98.1Very high97.8Very high90 Ų9043.5 Ų43.539%0.39122%0.216SC..THydrogen-bonded Turntrans55.729.8-174.9-48-170.3169.3-179.70113.3I384 N385 M397 E398 A400 K401I384-K387 WeakPolarHBondContact O-CA 3.48Å; I384-K387 PolarHBondContact O-N 3.22Å; N385-K387 PolarHBondContact O-N 2.85Å; K387-M397 HydrophobicContact CB-CE 3.86Å; K387-M397 HydrophobicContact CD-CE 4.05Å; K387-M397 HydrophobicContact CG-CE 3.57Å; K387-E398 PolarHBondContact NZ-O 2.96Å; K387-A400 HydrophobicContact CB-CB 4.01Å; K387-A400 CarbonylContact O-C 3.56Å; K387-A400 WeakPolarHBondContact O-CA 3.46Å; K387-A400 WeakPolarHBondContact O-CB 3.48Å; K387-K401 PolarHBondContact O-N 3.37Å
388T98.3Very high97.7Very high27 Ų2751.3 Ų51.317%0.16625%0.251CS..EExtended strand (participates in β ladder)trans-102.490.5175.252.70000108.5A383 A386 K401 F408A383-T388 PolarHBondContact O-N 2.84Å; A383-T388 PolarHBondContact O-OG1 3.14Å; A383-T388 VanDerWaalsContact O-OG1 3.11Å; A386-T388 HydrophobicContact CB-CG2 4.36Å; A386-T388 PolarHBondContact O-N 2.98Å; T388-K401 HydrophobicContact CG2-CB 4.2Å; T388-K401 HydrophobicContact CG2-CD 4.13Å; T388-F408 VanDerWaalsContact O-CD2 3.28Å; T388-F408 WeakPolarHBondContact O-CD2 3.23Å; T388-F408 WeakPolarHBondContact O-CE2 3.24Å
389V98.5Very high97.7Very high0 Ų049.8 Ų49.80%027%0.267CS..EExtended strand (participates in β ladder)trans-140.1163.2-160.2-64.70000112.5I384 F393 E394 M397 A400 K401 L403 F408I384-V389 HydrophobicContact CG1-CG1 4.45Å; V389-F393 HydrophobicContact CB-CB 3.88Å; V389-F393 HydrophobicContact CB-CD2 4.17Å; V389-F393 HydrophobicContact CG1-CB 4.41Å; V389-F393 HydrophobicContact CG1-CD2 4.07Å; V389-F393 HydrophobicContact CG2-CB 3.67Å; V389-E394 HydrophobicContact CG2-CB 4.04Å; V389-M397 HydrophobicContact CG2-SD 3.92Å; V389-A400 HydrophobicContact CG2-CB 4.19Å; V389-K401 PolarHBondContact N-O 3.27Å; V389-K401 VanDerWaalsContact N-O 3.08Å; V389-L403 PolarHBondContact O-N 3.44Å; V389-F408 HydrophobicContact CB-CE2 4.43Å; V389-F408 HydrophobicContact CG1-CE2 4.13Å
390T98.5Very high97.6Very high0 Ų050.7 Ų50.70%027%0.274CS..  trans-71.9166.1174.250.90000112.6N352 D392 F393 E394 F408N352-T390 WeakPolarHBondContact CB-OG1 3.43Å; N352-T390 VanDerWaalsContact CG-OG1 3.29Å; N352-T390 PolarHBondContact ND2-OG1 3.39Å; T390-D392 VanDerWaalsContact CB-OD1 3.23Å; T390-D392 WeakPolarHBondContact CB-OD1 3.25Å; T390-D392 PolarHBondContact O-N 3.16Å; T390-D392 VanDerWaalsContact O-N 3.08Å; T390-D392 PolarHBondContact OG1-OD1 2.95Å; T390-F393 PolarHBondContact O-N 3.21Å; T390-F393 VanDerWaalsContact O-N 3.13Å; T390-E394 PolarHBondContact O-N 3.03Å; T390-F408 HydrophobicContact CG2-CB 3.7Å; T390-F408 HydrophobicContact CG2-CD1 4.28Å; T390-F408 HydrophobicContact CG2-CG 3.99Å
391Y98Very high97.7Very high47 Ų4757.1 Ų57.118%0.18430%0.302CS..Hα-helixtrans-57.1-28.1-17087.9-73.3000115.2Y345 K350 R395 L402Y345-Y391 WeakPolarHBondContact CE2-OH 3.19Å; K350-Y391 HydrophobicContact CD-CD1 4.39Å; K350-Y391 HydrophobicContact CG-CD1 3.63Å; K350-Y391 HydrophobicContact CG-CE1 3.98Å; K350-Y391 HydrophobicContact CG-CG 4.11Å; K350-Y391 WeakPolarHBondContact O-CD1 3.33Å; Y391-R395 WeakPolarHBondContact O-CB 3.37Å; Y391-R395 WeakPolarHBondContact O-CD 3.34Å; Y391-R395 VanDerWaalsContact O-CG 3.26Å; Y391-R395 WeakPolarHBondContact O-CG 3.31Å; Y391-R395 PolarHBondContact O-N 3.23Å; Y391-L402 VanDerWaalsContact CA-CD1 3.47Å
392D97.1Very high97.7Very high23 Ų2358.5 Ų58.512%0.12331%0.311CS..Hα-helixtrans-68.3-36.3-178.553.2-57.5000112.1N352 T390 R395N352-D392 WeakPolarHBondContact CB-OD1 3.23Å; N352-D392 WeakPolarHBondContact CB-OD2 3.15Å; N352-D392 PolarHBondContact ND2-OD2 2.88Å; T390-D392 VanDerWaalsContact CB-OD1 3.23Å; T390-D392 WeakPolarHBondContact CB-OD1 3.25Å; T390-D392 PolarHBondContact O-N 3.16Å; T390-D392 VanDerWaalsContact O-N 3.08Å; T390-D392 PolarHBondContact OG1-OD1 2.95Å; D392-R395 PolarHBondContact O-NE 2.95Å
393F97.8Very high97.8Very high7 Ų758.2 Ų58.23%0.03131%0.305CS..Hα-helixtrans-86.1-44.9171.8-72.1-10.3000112T137 G318 I322 I384 V389 T390 R395 L396 M397T137-F393 HydrophobicContact CG2-CE1 3.87Å; T137-F393 HydrophobicContact CG2-CE2 4.34Å; T137-F393 HydrophobicContact CG2-CZ 3.7Å; G318-F393 WeakPolarHBondContact O-CE1 3.28Å; I322-F393 HydrophobicContact CD1-CZ 4.02Å; I322-F393 HydrophobicContact CG1-CZ 4.19Å; I322-F393 HydrophobicContact CG2-CE2 4.18Å; I322-F393 HydrophobicContact CG2-CZ 3.78Å; I384-F393 HydrophobicContact CD1-CE2 3.95Å; I384-F393 HydrophobicContact CG1-CE2 4.19Å; V389-F393 HydrophobicContact CB-CB 3.88Å; V389-F393 HydrophobicContact CB-CD2 4.17Å; V389-F393 HydrophobicContact CG1-CB 4.41Å; V389-F393 HydrophobicContact CG1-CD2 4.07Å; V389-F393 HydrophobicContact CG2-CB 3.67Å; T390-F393 PolarHBondContact O-N 3.21Å; T390-F393 VanDerWaalsContact O-N 3.13Å; F393-R395 VanDerWaalsContact C-N 3.29Å; F393-R395 PolarHBondContact O-N 2.96Å; F393-L396 WeakPolarHBondContact O-CA 3.3Å; F393-L396 WeakPolarHBondContact O-CB 3.3Å; F393-L396 PolarHBondContact O-N 2.98Å; F393-M397 HydrophobicContact CB-SD 4.14Å; F393-M397 WeakPolarHBondContact O-CG 3.31Å; F393-M397 PolarHBondContact O-N 3.19Å
394E98.1Very high97.8Very high63 Ų6363 Ų6329%0.29433%0.326SS..Hα-helixtrans-54.5-44.9-175179.6-86.216300112.2V389 T390 L396 M397 A400 L402V389-E394 HydrophobicContact CG2-CB 4.04Å; T390-E394 PolarHBondContact O-N 3.03Å; E394-L396 PolarHBondContact O-N 3.1Å; E394-M397 PolarHBondContact O-N 3.17Å; E394-A400 HydrophobicContact CB-CB 4.34Å; E394-A400 HydrophobicContact CG-CB 4Å; E394-L402 HydrophobicContact CB-CD1 4.14Å; E394-L402 HydrophobicContact CG-CB 3.97Å; E394-L402 HydrophobicContact CG-CD1 4.32Å
395R97.5Very high97.8Very high166 Ų16663 Ų6363%0.62633%0.326SS*.THydrogen-bonded Turntrans-61.8-12.3178.974-172.5178.4159.70.6114.8Y391 D392 F393Y391-R395 WeakPolarHBondContact O-CB 3.37Å; Y391-R395 WeakPolarHBondContact O-CD 3.34Å; Y391-R395 VanDerWaalsContact O-CG 3.26Å; Y391-R395 WeakPolarHBondContact O-CG 3.31Å; Y391-R395 PolarHBondContact O-N 3.23Å; D392-R395 PolarHBondContact O-NE 2.95Å; F393-R395 VanDerWaalsContact C-N 3.29Å; F393-R395 PolarHBondContact O-N 2.96Å
396L97.5Very high97.9Very high109 Ų10961.5 Ų61.557%0.57132%0.322SS*.THydrogen-bonded Turntrans-110.3-0.1-179.6-57.8177.5000112.2P138 F393 E394P138-L396 HydrophobicContact CB-CB 3.63Å; P138-L396 HydrophobicContact CB-CD1 4.06Å; P138-L396 HydrophobicContact CG-CB 3.81Å; F393-L396 WeakPolarHBondContact O-CA 3.3Å; F393-L396 WeakPolarHBondContact O-CB 3.3Å; F393-L396 PolarHBondContact O-N 2.98Å; E394-L396 PolarHBondContact O-N 3.1Å
397M96.8Very high98Very high29 Ų2962.7 Ų62.714%0.14332%0.318CS..SBendtrans-119.3135.5-174.8-67174.780.300111.3G136 P138 K387 V389 F393 E394 A400G136-M397 WeakPolarHBondContact O-CE 3.27Å; P138-M397 HydrophobicContact CG-CG 3.33Å; P138-M397 HydrophobicContact CG-SD 3.88Å; K387-M397 HydrophobicContact CB-CE 3.86Å; K387-M397 HydrophobicContact CD-CE 4.05Å; K387-M397 HydrophobicContact CG-CE 3.57Å; V389-M397 HydrophobicContact CG2-SD 3.92Å; F393-M397 HydrophobicContact CB-SD 4.14Å; F393-M397 WeakPolarHBondContact O-CG 3.31Å; F393-M397 PolarHBondContact O-N 3.19Å; E394-M397 PolarHBondContact O-N 3.17Å; M397-A400 HydrophobicContact CB-CB 3.68Å; M397-A400 HydrophobicContact SD-CB 4.33Å
398E95.4Very high98Very high179 Ų17958.4 Ų58.484%0.83630%0.299SS*.THydrogen-bonded Turntrans-77.8128.7167.9-66.2-175.9178.400110.9K387 A400K387-E398 PolarHBondContact NZ-O 2.96Å; E398-A400 PolarHBondContact O-N 3.42Å
399G97.3Very high98Very high79 Ų7957.2 Ų57.281%0.81429%0.292SS*.THydrogen-bonded Turntrans71.823.5174.400000114.9
400A98.2Very high98Very high18 Ų1860.2 Ų60.215%0.14931%0.307CS..  trans-78.7148.2174.200000112K387 V389 E394 M397 E398K387-A400 HydrophobicContact CB-CB 4.01Å; K387-A400 CarbonylContact O-C 3.56Å; K387-A400 WeakPolarHBondContact O-CA 3.46Å; K387-A400 WeakPolarHBondContact O-CB 3.48Å; V389-A400 HydrophobicContact CG2-CB 4.19Å; E394-A400 HydrophobicContact CB-CB 4.34Å; E394-A400 HydrophobicContact CG-CB 4Å; M397-A400 HydrophobicContact CB-CB 3.68Å; M397-A400 HydrophobicContact SD-CB 4.33Å; E398-A400 PolarHBondContact O-N 3.42Å
401K98.5Very high98.1Very high135 Ų13560.5 Ų60.559%0.58731%0.308SS*.EExtended strand (participates in β ladder)trans-92.2115.8170.5179.7-173.3176.4-168.90108.4K387 T388 V389 L403K387-K401 PolarHBondContact O-N 3.37Å; T388-K401 HydrophobicContact CG2-CB 4.2Å; T388-K401 HydrophobicContact CG2-CD 4.13Å; V389-K401 PolarHBondContact N-O 3.27Å; V389-K401 VanDerWaalsContact N-O 3.08Å; K401-L403 HydrophobicContact CD-CD2 4.16Å; K401-L403 HydrophobicContact CG-CD2 4.3Å; K401-L403 PolarHBondContact O-N 3.38Å
402L98.6Very high98.1Very high96 Ų9658.2 Ų58.250%0.50330%0.3SS..EExtended strand (participates in β ladder)trans-64.7125.6173.3179.761.7000110.8Y391 E394Y391-L402 VanDerWaalsContact CA-CD1 3.47Å; E394-L402 HydrophobicContact CB-CD1 4.14Å; E394-L402 HydrophobicContact CG-CB 3.97Å; E394-L402 HydrophobicContact CG-CD1 4.32Å
403L98.6Very high98.2Very high15 Ų1559 Ų598%0.07930%0.303CS..  trans-117155171.7-64.5-172.1000111.6V389 K401 E407 F408 A411V389-L403 PolarHBondContact O-N 3.44Å; K401-L403 HydrophobicContact CD-CD2 4.16Å; K401-L403 HydrophobicContact CG-CD2 4.3Å; K401-L403 PolarHBondContact O-N 3.38Å; L403-E407 HydrophobicContact CB-CB 4.03Å; L403-E407 HydrophobicContact CD1-CB 4.45Å; L403-E407 HydrophobicContact CD2-CB 4.2Å; L403-E407 HydrophobicContact CG-CB 4.46Å; L403-F408 HydrophobicContact CB-CB 4.46Å; L403-F408 HydrophobicContact CD1-CD2 4.46Å; L403-A411 HydrophobicContact CD1-CB 3.71Å
404K98.7Very high98.2Very high99 Ų9966.2 Ų66.243%0.4334%0.337SS..  trans-70.4168164.1-67.1170.1174-71.60111.8D349 E407 F408D349-K404 CarbonylContact O-C 3.6Å; D349-K404 VanDerWaalsContact O-CA 3.28Å; D349-K404 WeakPolarHBondContact O-CA 3.12Å; D349-K404 VanDerWaalsContact O-CB 3.26Å; D349-K404 WeakPolarHBondContact O-CB 3.34Å; D349-K404 WeakPolarHBondContact OD2-CB 3.48Å; D349-K404 WeakPolarHBondContact OD2-CD 3.41Å; K404-E407 HydrophobicContact CB-CB 4.12Å; K404-E407 HydrophobicContact CB-CG 3.94Å; K404-E407 WeakPolarHBondContact CB-OE2 3.35Å; K404-E407 HydrophobicContact CD-CG 4.3Å; K404-E407 HydrophobicContact CG-CG 4.48Å; K404-E407 WeakPolarHBondContact CG-OE2 3.33Å; K404-E407 PolarHBondContact N-OE2 2.85Å; K404-E407 PolarHBondContact O-N 3.41Å; K404-F408 WeakPolarHBondContact O-CB 3.38Å; K404-F408 PolarHBondContact O-N 3.07Å
405C98.7Very high98.2Very high0 Ų065.7 Ų65.70%034%0.337CS..Hα-helixtrans-57.5-50.6174.9179.20000110.9D40 D349 V351 F408 G409D40-C405 PolarHBondContact O-SG 3.03Å; D349-C405 PolarHBondContact O-N 3.42Å; D349-C405 WeakPolarHBondContact OD1-CA 3.44Å; D349-C405 WeakPolarHBondContact OD1-CB 3.49Å; D349-C405 PolarHBondContact OD1-N 3.37Å; V351-C405 WeakPolarHBondContact O-CB 3.47Å; V351-C405 PolarHBondContact O-SG 3.11Å; V351-C405 VanDerWaalsContact O-SG 3.39Å; C405-F408 PolarHBondContact O-N 2.91Å; C405-G409 PolarHBondContact O-N 3.18Å
406S98.7Very high98.2Very high52 Ų5258.4 Ų58.436%0.36431%0.31SS..Hα-helixtrans-61.1-45.6177.6610000112.7D349 F408 G409 E410D349-S406 VanDerWaalsContact CG-OG 3.32Å; D349-S406 WeakPolarHBondContact OD1-CB 3.29Å; D349-S406 PolarHBondContact OD1-N 3.48Å; D349-S406 PolarHBondContact OD1-OG 2.95Å; D349-S406 PolarHBondContact OD2-OG 3.1Å; S406-F408 VanDerWaalsContact C-N 3.33Å; S406-F408 PolarHBondContact O-N 2.68Å; S406-G409 WeakPolarHBondContact O-CA 3.31Å; S406-G409 PolarHBondContact O-N 2.96Å; S406-G409 VanDerWaalsContact O-N 3.14Å; S406-E410 PolarHBondContact O-N 3.4Å; S406-E410 VanDerWaalsContact O-N 3.12Å
407E98.8Very high98.2Very high82 Ų8255.9 Ų55.938%0.38330%0.297SS..Hα-helixtrans-66-33.3178.5-67.6172.7162.500112.5L403 K404 G409 E410 A411L403-E407 HydrophobicContact CB-CB 4.03Å; L403-E407 HydrophobicContact CD1-CB 4.45Å; L403-E407 HydrophobicContact CD2-CB 4.2Å; L403-E407 HydrophobicContact CG-CB 4.46Å; K404-E407 HydrophobicContact CB-CB 4.12Å; K404-E407 HydrophobicContact CB-CG 3.94Å; K404-E407 WeakPolarHBondContact CB-OE2 3.35Å; K404-E407 HydrophobicContact CD-CG 4.3Å; K404-E407 HydrophobicContact CG-CG 4.48Å; K404-E407 WeakPolarHBondContact CG-OE2 3.33Å; K404-E407 PolarHBondContact N-OE2 2.85Å; K404-E407 PolarHBondContact O-N 3.41Å; E407-G409 VanDerWaalsContact C-N 3.32Å; E407-E410 WeakPolarHBondContact O-CB 2.87Å; E407-E410 PolarHBondContact O-N 2.84Å; E407-A411 PolarHBondContact O-N 3.22Å
408F98.7Very high98.3Very high0 Ų057.3 Ų57.30%031%0.305CS..Hα-helixtrans-67.5-35.6173.1-173-114.7000111.6P353 M380 A383 I384 T388 V389 T390 L403 K404 C405 S406 E410 A411 I412P353-F408 HydrophobicContact CG-CD1 4Å; M380-F408 HydrophobicContact CE-CE1 4.4Å; M380-F408 HydrophobicContact SD-CE1 3.92Å; M380-F408 HydrophobicContact SD-CZ 3.83Å; A383-F408 HydrophobicContact CB-CE2 3.94Å; A383-F408 HydrophobicContact CB-CZ 4.5Å; I384-F408 HydrophobicContact CG1-CZ 4.16Å; T388-F408 VanDerWaalsContact O-CD2 3.28Å; T388-F408 WeakPolarHBondContact O-CD2 3.23Å; T388-F408 WeakPolarHBondContact O-CE2 3.24Å; V389-F408 HydrophobicContact CB-CE2 4.43Å; V389-F408 HydrophobicContact CG1-CE2 4.13Å; T390-F408 HydrophobicContact CG2-CB 3.7Å; T390-F408 HydrophobicContact CG2-CD1 4.28Å; T390-F408 HydrophobicContact CG2-CG 3.99Å; L403-F408 HydrophobicContact CB-CB 4.46Å; L403-F408 HydrophobicContact CD1-CD2 4.46Å; K404-F408 WeakPolarHBondContact O-CB 3.38Å; K404-F408 PolarHBondContact O-N 3.07Å; C405-F408 PolarHBondContact O-N 2.91Å; S406-F408 VanDerWaalsContact C-N 3.33Å; S406-F408 PolarHBondContact O-N 2.68Å; F408-E410 VanDerWaalsContact C-N 3.35Å; F408-A411 PolarHBondContact O-N 2.91Å; F408-I412 HydrophobicContact CD1-CD1 3.96Å; F408-I412 HydrophobicContact CE1-CD1 3.75Å; F408-I412 HydrophobicContact CE1-CG1 4.35Å; F408-I412 HydrophobicContact CZ-CD1 4.26Å; F408-I412 HydrophobicContact CZ-CG1 4.41Å; F408-I412 WeakPolarHBondContact O-CG1 3.39Å; F408-I412 PolarHBondContact O-N 3.36Å
409G98.7Very high98.5Very high2 Ų250.6 Ų50.62%0.02128%0.275CS..Hα-helixtrans-55.7-46.7167.300000112.4V48 C405 S406 E407 I412 I413V48-G409 WeakPolarHBondContact CG2-O 3.12Å; C405-G409 PolarHBondContact O-N 3.18Å; S406-G409 WeakPolarHBondContact O-CA 3.31Å; S406-G409 PolarHBondContact O-N 2.96Å; S406-G409 VanDerWaalsContact O-N 3.14Å; E407-G409 VanDerWaalsContact C-N 3.32Å; G409-I412 PolarHBondContact O-N 3.19Å; G409-I413 WeakPolarHBondContact O-CG1 3.44Å; G409-I413 PolarHBondContact O-N 3.27Å
410E98.7Very high98.5Very high64 Ų6448.9 Ų48.930%0.29924%0.244SC..Hα-helixtrans-61.2-44.4173.5-59.6-45.8111.300112.4K47 S406 E407 F408 I412 I413 E414K47-E410 WeakPolarHBondContact CD-OE1 3.46Å; K47-E410 WeakPolarHBondContact CE-OE1 3.33Å; K47-E410 WeakPolarHBondContact CE-OE2 3.35Å; K47-E410 IonicContact NZ-OE1 3.04Å; K47-E410 PolarHBondContact NZ-OE1 2.85Å; K47-E410 IonicContact NZ-OE2 3.8Å; K47-E410 PolarHBondContact NZ-OE2 2.6Å; S406-E410 PolarHBondContact O-N 3.4Å; S406-E410 VanDerWaalsContact O-N 3.12Å; E407-E410 WeakPolarHBondContact O-CB 2.87Å; E407-E410 PolarHBondContact O-N 2.84Å; F408-E410 VanDerWaalsContact C-N 3.35Å; E410-I412 PolarHBondContact O-N 3.19Å; E410-I413 CarbonylContact O-C 3.53Å; E410-I413 WeakPolarHBondContact O-CA 3.24Å; E410-I413 WeakPolarHBondContact O-CB 3.27Å; E410-I413 PolarHBondContact O-N 3.4Å; E410-E414 WeakPolarHBondContact O-CG 3.48Å; E410-E414 PolarHBondContact O-N 3.22Å
411A98.7Very high98.6Very high5 Ų550.8 Ų50.84%0.04125%0.249CC..Hα-helixtrans-60.1-36.7-179.400000111.7A383 L403 E407 F408 N415A383-A411 HydrophobicContact CB-CB 4.16Å; L403-A411 HydrophobicContact CD1-CB 3.71Å; E407-A411 PolarHBondContact O-N 3.22Å; F408-A411 PolarHBondContact O-N 2.91Å; A411-N415 PolarHBondContact O-N 3.01Å; A411-N415 PolarHBondContact O-ND2 2.62Å
412I98.7Very high98.6Very high0 Ų045.2 Ų45.20%023%0.227CC..Hα-helixtrans-63.1-46.9172.6-67.7165.2000110.1V48 I357 G379 M380 A383 F408 G409 E410 E414 N415 M416V48-I412 HydrophobicContact CG1-CG2 3.79Å; V48-I412 HydrophobicContact CG2-CB 4.44Å; V48-I412 HydrophobicContact CG2-CG2 4.47Å; I357-I412 HydrophobicContact CD1-CD1 3.71Å; I357-I412 HydrophobicContact CG2-CD1 4.49Å; G379-I412 VanDerWaalsContact CA-O 3.29Å; G379-I412 WeakPolarHBondContact CA-O 3.36Å; M380-I412 HydrophobicContact CE-CD1 3.48Å; M380-I412 VanDerWaalsContact CE-CD1 3.48Å; M380-I412 HydrophobicContact CE-CG1 4.38Å; M380-I412 HydrophobicContact SD-CD1 3.99Å; M380-I412 HydrophobicContact SD-CG1 4.41Å; A383-I412 HydrophobicContact CB-CG1 4.12Å; F408-I412 HydrophobicContact CD1-CD1 3.96Å; F408-I412 HydrophobicContact CE1-CD1 3.75Å; F408-I412 HydrophobicContact CE1-CG1 4.35Å; F408-I412 HydrophobicContact CZ-CD1 4.26Å; F408-I412 HydrophobicContact CZ-CG1 4.41Å; F408-I412 WeakPolarHBondContact O-CG1 3.39Å; F408-I412 PolarHBondContact O-N 3.36Å; G409-I412 PolarHBondContact O-N 3.19Å; E410-I412 PolarHBondContact O-N 3.19Å; I412-E414 PolarHBondContact O-N 2.74Å; I412-N415 PolarHBondContact O-N 3.19Å; I412-N415 VanDerWaalsContact O-N 3.14Å; I412-M416 HydrophobicContact CG2-CE 3.94Å; I412-M416 WeakPolarHBondContact O-CG 3.28Å; I412-M416 PolarHBondContact O-N 2.77Å
413I98.7Very high98.6Very high39 Ų3941.6 Ų41.620%0.221%0.207CC..Hα-helixtrans-61.6-42.8179.6-63.4167.1000111.6K47 V48 A51 G409 E410 N415 M416K47-I413 HydrophobicContact CD-CD1 4.49Å; K47-I413 HydrophobicContact CG-CD1 3.98Å; V48-I413 HydrophobicContact CG2-CD1 4.27Å; V48-I413 HydrophobicContact CG2-CG1 4.14Å; A51-I413 HydrophobicContact CB-CD1 3.84Å; A51-I413 HydrophobicContact CB-CG1 3.83Å; A51-I413 HydrophobicContact CB-CG2 3.9Å; G409-I413 WeakPolarHBondContact O-CG1 3.44Å; G409-I413 PolarHBondContact O-N 3.27Å; E410-I413 CarbonylContact O-C 3.53Å; E410-I413 WeakPolarHBondContact O-CA 3.24Å; E410-I413 WeakPolarHBondContact O-CB 3.27Å; E410-I413 PolarHBondContact O-N 3.4Å; I413-N415 PolarHBondContact O-N 3.23Å; I413-M416 HydrophobicContact CG1-CE 4.01Å; I413-M416 PolarHBondContact O-N 3.38Å
414E98.6Very high98.6Very high159 Ų15943.6 Ų43.674%0.74322%0.217SC*.Hα-helixtrans-60-28.8176.7-72.9176.8177.200112.5E410 I412E410-E414 WeakPolarHBondContact O-CG 3.48Å; E410-E414 PolarHBondContact O-N 3.22Å; I412-E414 PolarHBondContact O-N 2.74Å
415N98.4Very high98.6Very high52 Ų5239 Ų3928%0.27820%0.199SC..THydrogen-bonded Turntrans-94.5-1-178.7-79.1-83.4000114.6A411 I412 I413A411-N415 PolarHBondContact O-N 3.01Å; A411-N415 PolarHBondContact O-ND2 2.62Å; I412-N415 PolarHBondContact O-N 3.19Å; I412-N415 VanDerWaalsContact O-N 3.14Å; I413-N415 PolarHBondContact O-N 3.23Å
416M97.1Very high98.5Very high13 Ų1342.5 Ų42.56%0.06422%0.218CC..  trans-64.50178.1-68.8-179.2-175.900113.4V48 A52 K55 L375 I376 K378 I412 I413V48-M416 HydrophobicContact CG1-CE 3.64Å; A52-M416 HydrophobicContact CB-CE 3.92Å; A52-M416 HydrophobicContact CB-SD 3.92Å; K55-M416 HydrophobicContact CD-CB 3.97Å; K55-M416 PolarHBondContact NZ-O 3.42Å; L375-M416 HydrophobicContact CB-CB 4.4Å; L375-M416 HydrophobicContact CB-CG 4.31Å; L375-M416 HydrophobicContact CB-SD 4.42Å; L375-M416 HydrophobicContact CD2-CB 4.46Å; L375-M416 VanDerWaalsContact CD2-OXT 3.24Å; L375-M416 WeakPolarHBondContact CD2-OXT 3.41Å; I376-M416 HydrophobicContact CG1-CE 4.45Å; K378-M416 VanDerWaalsContact CD-OXT 3.32Å; K378-M416 WeakPolarHBondContact CD-OXT 3.45Å; K378-M416 VanDerWaalsContact CE-OXT 3.29Å; K378-M416 WeakPolarHBondContact CE-OXT 3.49Å; K378-M416 PolarHBondContact NZ-O 3.24Å; K378-M416 PolarHBondContact NZ-OXT 3.2Å; I412-M416 HydrophobicContact CG2-CE 3.94Å; I412-M416 WeakPolarHBondContact O-CG 3.28Å; I412-M416 PolarHBondContact O-N 2.77Å; I413-M416 HydrophobicContact CG1-CE 4.01Å; I413-M416 PolarHBondContact O-N 3.38Å

Retrieved 416 of 416 residues in 384.9 ms (Link to these results)

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